#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nw2 s THR 2 N 0.00 -0.56 0.23 0.00 2.01 -1.26 -4.82 115.64 111.23 1nw2 s THR 2 Ca 0.00 -0.58 -0.31 0.00 0.31 0.00 0.00 61.69 61.11 1nw2 s THR 2 Cb 0.00 -0.60 -0.15 0.00 0.01 0.00 0.00 72.50 71.76 1nw2 s THR 2 CO 0.00 -0.37 1.17 0.80 -0.69 0.00 0.00 174.62 175.53 1nw2 n MET 3 N 4.57 1.44 -3.67 4.92 0.00 -1.11 -4.64 117.12 118.62 1nw2 n MET 3 Ca 0.08 0.51 -0.37 0.00 -0.00 0.00 0.00 57.70 57.93 1nw2 n MET 3 Cb 0.49 -2.01 -0.10 0.00 0.00 0.00 0.00 33.22 31.60 1nw2 n MET 3 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1nw2 s THR 4 N -0.45 5.23 0.17 1.12 2.01 -1.26 0.32 115.64 122.78 1nw2 s THR 4 Ca 0.67 0.14 0.06 0.00 0.31 0.00 0.00 61.69 62.87 1nw2 s THR 4 Cb -0.75 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 1nw2 s THR 4 CO 0.54 0.33 0.09 -0.76 -0.69 0.00 0.00 174.62 174.13 1nw2 s LEU 5 N 1.25 3.62 0.22 4.42 1.43 0.35 -4.92 118.68 125.04 1nw2 s LEU 5 Ca 0.07 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 1nw2 s LEU 5 Cb -0.14 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 1nw2 s LEU 5 CO 0.06 0.07 0.14 0.42 0.23 0.00 0.00 176.35 177.27 1nw2 s THR 6 N -1.77 0.05 0.38 5.49 -4.23 -1.26 -4.50 115.64 109.80 1nw2 s THR 6 Ca 0.30 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.89 1nw2 s THR 6 Cb -0.10 -2.51 0.30 0.00 1.34 0.00 0.00 72.50 71.53 1nw2 s THR 6 CO 0.22 0.00 1.97 0.44 -0.54 0.00 0.00 174.62 176.70 1nw2 h ASP 7 N 2.55 0.58 -0.24 3.99 3.32 -1.89 0.11 116.42 124.84 1nw2 h ASP 7 Ca -0.35 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 1nw2 h ASP 7 Cb 1.25 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1nw2 h ASP 7 CO 0.52 0.37 0.13 0.00 -1.72 0.00 0.00 179.24 178.54 1nw2 h ALA 8 N 1.64 0.30 -0.02 3.45 0.00 -1.99 -3.29 119.26 119.35 1nw2 h ALA 8 Ca 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1nw2 h ALA 8 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1nw2 h ALA 8 CO -0.10 -0.16 -0.14 0.27 0.00 0.00 0.00 179.25 179.12 1nw2 n ASN 9 N -4.86 2.38 -0.02 0.00 0.23 -1.05 -4.69 115.26 107.26 1nw2 n ASN 9 Ca -0.03 -1.69 -0.10 0.00 -0.53 0.00 0.00 54.58 52.23 1nw2 n ASN 9 Cb 0.08 0.17 -0.03 0.00 -2.08 0.00 0.00 39.78 37.92 1nw2 n ASN 9 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1nw2 h PHE 10 N 3.32 -0.75 -0.34 -2.53 3.57 -0.86 -1.66 116.94 117.69 1nw2 h PHE 10 Ca 0.00 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.61 1nw2 h PHE 10 Cb 0.78 0.36 -0.07 0.00 2.79 0.00 0.00 35.95 39.80 1nw2 h PHE 10 CO 0.00 -0.36 -0.11 1.96 -2.23 0.00 0.00 178.31 177.58 1nw2 h GLN 11 N -0.33 -0.03 -0.32 1.11 1.08 -1.84 -1.36 115.11 113.42 1nw2 h GLN 11 Ca 0.11 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.35 1nw2 h GLN 11 Cb 0.50 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.90 1nw2 h GLN 11 CO -0.36 -0.02 0.10 1.96 -0.95 0.00 0.00 178.83 179.56 1nw2 h GLN 12 N -0.03 0.22 -0.56 1.46 4.20 -1.83 -2.80 115.11 115.77 1nw2 h GLN 12 Ca 0.17 -0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.96 1nw2 h GLN 12 Cb 0.29 -0.05 -0.08 0.00 0.30 0.00 0.00 27.48 27.94 1nw2 h GLN 12 CO -0.37 0.15 0.15 0.00 -0.67 0.00 0.00 178.83 178.08 1nw2 h ALA 13 N 1.22 0.67 0.00 3.87 0.00 -0.32 0.08 119.26 124.79 1nw2 h ALA 13 Ca 0.15 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1nw2 h ALA 13 Cb 0.13 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1nw2 h ALA 13 CO -0.16 -0.27 0.00 0.44 0.00 0.00 0.00 179.25 179.25 1nw2 n ILE 14 N -5.08 0.13 -1.10 0.00 -5.35 -0.65 -2.30 119.36 105.00 1nw2 n ILE 14 Ca 0.08 0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.59 1nw2 n ILE 14 Cb 0.28 -0.65 0.27 0.00 -1.74 0.00 0.00 39.64 37.81 1nw2 n ILE 14 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1nw2 n GLN 15 N -1.15 3.13 -0.03 6.28 6.02 0.01 -3.84 117.38 127.81 1nw2 n GLN 15 Ca 0.15 -3.03 0.00 0.00 -0.01 0.00 0.00 57.00 54.11 1nw2 n GLN 15 Cb 0.14 -2.01 0.00 0.00 1.02 0.00 0.00 30.24 29.39 1nw2 n GLN 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nw2 n GLY 16 N -0.44 -0.74 0.17 1.08 0.00 -0.97 -5.03 105.19 99.25 1nw2 n GLY 16 Ca 0.32 -1.67 -0.07 0.00 0.00 0.00 0.00 46.02 44.60 1nw2 n GLY 16 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nw2 h ASP 17 N 0.00 -0.27 -3.43 1.61 5.19 -1.94 -3.47 116.42 114.12 1nw2 h ASP 17 Ca 0.00 -0.08 -0.51 0.00 -0.62 0.00 0.00 57.03 55.82 1nw2 h ASP 17 Cb 0.00 0.07 -0.00 0.00 0.18 0.00 0.00 39.33 39.58 1nw2 h ASP 17 CO 0.00 0.22 -0.02 -0.54 -3.12 0.00 0.00 179.24 175.78 1nw2 s LYS 18 N -2.80 3.69 0.68 3.56 1.02 -1.26 -5.04 119.74 119.59 1nw2 s LYS 18 Ca -0.07 0.21 -0.17 0.00 0.02 0.00 0.00 55.97 55.96 1nw2 s LYS 18 Cb 0.00 -2.53 0.01 0.00 -0.52 0.00 0.00 37.83 34.80 1nw2 s LYS 18 CO 0.23 0.09 1.26 -2.14 -0.92 0.00 0.00 175.35 173.86 1nw2 s PRO 19 N -3.73 2.39 -0.13 -1.68 0.02 -1.26 -4.74 135.00 125.88 1nw2 s PRO 19 Ca 0.47 1.94 0.02 0.00 0.02 0.00 0.00 61.00 63.46 1nw2 s PRO 19 Cb -0.10 -1.84 0.01 0.00 0.02 0.00 0.00 34.50 32.58 1nw2 s PRO 19 CO 0.31 -1.69 -0.21 0.08 -0.33 0.00 0.00 177.00 175.17 1nw2 s VAL 20 N -1.62 2.20 -0.45 3.83 1.01 -0.57 -1.29 120.40 123.51 1nw2 s VAL 20 Ca 0.79 -0.94 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 1nw2 s VAL 20 Cb -0.34 -1.88 0.05 0.00 0.00 0.00 0.00 36.38 34.20 1nw2 s VAL 20 CO 0.41 0.54 0.45 -0.22 0.00 0.00 0.00 175.10 176.28 1nw2 s LEU 21 N 0.71 5.17 -0.24 3.92 2.96 0.05 -0.46 118.68 130.78 1nw2 s LEU 21 Ca -0.09 -0.97 -0.10 0.00 -0.22 0.00 0.00 54.13 52.75 1nw2 s LEU 21 Cb -0.16 -2.30 -0.05 0.00 0.50 0.00 0.00 46.19 44.18 1nw2 s LEU 21 CO 0.01 -0.65 0.14 -0.69 -1.32 0.00 0.00 176.35 173.84 1nw2 s VAL 22 N 2.02 5.20 -0.43 1.68 1.01 -0.11 -1.29 120.40 128.48 1nw2 s VAL 22 Ca 0.09 0.12 -0.16 0.00 0.00 0.00 0.00 61.98 62.03 1nw2 s VAL 22 Cb -0.20 -3.42 0.03 0.00 0.00 0.00 0.00 36.38 32.79 1nw2 s VAL 22 CO 0.10 0.35 0.40 -0.62 0.00 0.00 0.00 175.10 175.33 1nw2 s ASP 23 N 1.10 6.16 -0.29 3.32 2.15 -0.17 -1.15 116.67 127.80 1nw2 s ASP 23 Ca 0.07 -0.88 -0.21 0.00 0.43 0.00 0.00 52.55 51.96 1nw2 s ASP 23 Cb -0.14 -2.20 -0.01 0.00 -0.30 0.00 0.00 42.92 40.27 1nw2 s ASP 23 CO 0.05 -0.58 0.66 -0.36 -0.17 0.00 0.00 175.17 174.77 1nw2 s PHE 24 N 1.95 3.23 0.32 -5.34 0.40 -0.09 -0.84 117.98 117.60 1nw2 s PHE 24 Ca 0.09 0.70 0.03 0.00 -0.60 0.00 0.00 56.93 57.14 1nw2 s PHE 24 Cb -0.19 -2.99 -0.05 0.00 0.51 0.00 0.00 43.02 40.30 1nw2 s PHE 24 CO 0.11 -0.45 0.10 1.67 0.70 0.00 0.00 175.22 177.35 1nw2 s TRP 25 N 2.65 1.73 0.02 0.36 1.48 -0.10 -2.81 118.94 122.27 1nw2 s TRP 25 Ca 0.27 -1.17 -0.09 0.00 -1.06 0.00 0.00 56.10 54.05 1nw2 s TRP 25 Cb -0.15 -1.06 0.01 0.00 -1.16 0.00 0.00 33.47 31.10 1nw2 s TRP 25 CO 0.11 -0.25 0.19 0.00 -4.06 0.00 0.00 176.95 172.94 1nw2 s ALA 26 N -3.48 -0.40 0.56 2.67 0.00 -1.26 -0.50 121.76 119.35 1nw2 s ALA 26 Ca 0.34 -0.16 0.24 0.00 0.00 0.00 0.00 51.96 52.38 1nw2 s ALA 26 Cb 0.07 0.20 1.59 0.00 0.00 0.00 0.00 23.12 24.97 1nw2 s ALA 26 CO 0.15 -0.30 2.21 0.00 0.00 0.00 0.00 175.76 177.82 1nw2 h ALA 27 N 3.75 1.74 -0.01 0.00 0.00 -2.01 -1.02 119.26 121.71 1nw2 h ALA 27 Ca -0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1nw2 h ALA 27 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1nw2 h ALA 27 CO 0.45 -0.01 -0.10 -2.67 0.00 0.00 0.00 179.25 176.92 1nw2 n TRP 28 N -4.14 0.00 -1.67 0.00 4.27 -1.26 -4.95 117.44 109.69 1nw2 n TRP 28 Ca -0.03 0.00 -0.44 0.00 -3.89 0.00 0.00 57.50 53.14 1nw2 n TRP 28 Cb 0.09 -0.11 -0.02 0.00 -1.36 0.00 0.00 31.31 29.92 1nw2 n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1nw2 h GLY 30 N 3.31 -0.24 -0.60 0.00 0.00 -1.90 -3.39 103.07 100.26 1nw2 h GLY 30 Ca -0.45 0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1nw2 h GLY 30 CO 0.69 -0.09 0.00 -1.55 0.00 0.00 0.00 176.54 175.59 1nw2 n PRO 31 N -4.06 1.62 -0.11 4.80 -0.04 -1.26 -4.45 135.00 131.50 1nw2 n PRO 31 Ca -0.03 -0.93 -0.09 0.00 -0.04 0.00 0.00 63.50 62.41 1nw2 n PRO 31 Cb 0.09 -1.38 -0.01 0.00 -0.04 0.00 0.00 33.50 32.16 1nw2 n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nw2 h ARG 33 N 0.43 1.26 0.00 0.00 3.08 -1.85 0.12 114.38 117.41 1nw2 h ARG 33 Ca 0.12 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1nw2 h ARG 33 Cb 0.12 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.89 1nw2 h ARG 33 CO -0.02 0.85 0.00 -0.12 -1.07 0.00 0.00 179.97 179.61 1nw2 n MET 34 N -4.40 0.12 -0.03 0.04 1.56 -1.02 -2.72 117.12 110.67 1nw2 n MET 34 Ca 0.11 0.34 0.04 0.00 -0.27 0.00 0.00 57.70 57.91 1nw2 n MET 34 Cb 0.03 -1.72 -0.15 0.00 2.15 0.00 0.00 33.22 33.54 1nw2 n MET 34 CO 0.00 0.00 0.00 -0.12 -0.73 0.00 0.00 175.97 175.12 1nw2 n MET 35 N -1.93 0.74 -0.10 2.12 0.00 0.12 -4.62 117.12 113.45 1nw2 n MET 35 Ca 0.03 -0.12 -0.09 0.00 0.00 0.00 0.00 57.70 57.52 1nw2 n MET 35 Cb 0.22 -1.45 -0.03 0.00 0.00 0.00 0.00 33.22 31.95 1nw2 n MET 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1nw2 h ALA 36 N 1.47 -0.31 -0.99 -5.12 0.00 -0.67 -1.34 119.26 112.31 1nw2 h ALA 36 Ca -0.15 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1nw2 h ALA 36 Cb 1.25 0.76 -0.05 0.00 0.00 0.00 0.00 17.79 19.75 1nw2 h ALA 36 CO 0.01 -0.79 0.66 -1.00 0.00 0.00 0.00 179.25 178.12 1nw2 h PRO 37 N -0.31 1.30 -0.45 0.00 0.13 -1.82 -1.71 132.00 129.14 1nw2 h PRO 37 Ca 0.15 -0.08 0.04 0.00 -0.87 0.00 0.00 66.00 65.24 1nw2 h PRO 37 Cb 0.56 -0.29 -0.04 0.00 0.13 0.00 0.00 31.00 31.36 1nw2 h PRO 37 CO -0.52 0.86 0.21 0.28 -0.23 0.00 0.00 178.00 178.60 1nw2 h VAL 38 N 1.34 0.93 -0.37 1.56 2.07 -1.54 -1.22 116.25 119.02 1nw2 h VAL 38 Ca 0.36 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 67.65 1nw2 h VAL 38 Cb -0.15 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1nw2 h VAL 38 CO -0.08 0.08 -0.13 -0.07 0.02 0.00 0.00 177.57 177.38 1nw2 h LEU 39 N 0.41 0.66 -0.01 2.57 3.38 -0.94 -0.28 115.31 121.10 1nw2 h LEU 39 Ca 0.20 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1nw2 h LEU 39 Cb 0.14 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1nw2 h LEU 39 CO -0.16 0.81 0.00 -0.33 0.09 0.00 0.00 178.44 178.86 1nw2 h GLU 40 N 0.61 0.01 -0.73 1.13 4.39 -0.59 0.02 114.58 119.42 1nw2 h GLU 40 Ca 0.10 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.76 1nw2 h GLU 40 Cb 0.58 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 1nw2 h GLU 40 CO 0.04 0.09 0.27 0.93 -1.16 0.00 0.00 179.01 179.18 1nw2 h GLU 41 N -0.07 1.10 -0.32 2.33 5.08 -1.12 -0.33 114.58 121.25 1nw2 h GLU 41 Ca 0.00 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1nw2 h GLU 41 Cb 0.08 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1nw2 h GLU 41 CO -0.00 0.92 0.21 0.35 -1.00 0.00 0.00 179.01 179.48 1nw2 h PHE 42 N 1.06 0.41 -0.65 4.33 3.57 -0.78 -0.37 116.94 124.51 1nw2 h PHE 42 Ca 0.24 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1nw2 h PHE 42 Cb 0.24 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 1nw2 h PHE 42 CO 0.02 0.27 0.41 0.00 -2.23 0.00 0.00 178.31 176.78 1nw2 h ALA 43 N 1.10 0.83 -0.96 2.41 0.00 -0.58 -1.34 119.26 120.73 1nw2 h ALA 43 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nw2 h ALA 43 Cb -0.03 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 1nw2 h ALA 43 CO -0.02 0.28 0.62 1.49 0.00 0.00 0.00 179.25 181.61 1nw2 h GLU 44 N 0.88 1.27 -0.00 0.00 4.81 -0.63 -0.99 114.58 119.92 1nw2 h GLU 44 Ca 0.24 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1nw2 h GLU 44 Cb -0.06 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.04 1nw2 h GLU 44 CO -0.05 0.85 -0.11 0.00 -0.73 0.00 0.00 179.01 178.98 1nw2 n ALA 45 N -2.39 2.67 -1.90 2.92 0.00 -0.19 -3.81 120.51 117.82 1nw2 n ALA 45 Ca 0.11 -0.19 0.05 0.00 0.00 0.00 0.00 53.44 53.40 1nw2 n ALA 45 Cb 0.03 -1.38 0.08 0.00 0.00 0.00 0.00 19.45 18.18 1nw2 n ALA 45 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1nw2 n HIS 46 N -1.31 0.00 -0.34 0.00 8.25 -0.56 -4.89 115.22 116.37 1nw2 n HIS 46 Ca 0.10 -0.71 0.21 0.00 -0.26 0.00 0.00 57.72 57.06 1nw2 n HIS 46 Cb 0.30 -0.15 0.44 0.00 1.12 0.00 0.00 29.99 31.70 1nw2 n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nw2 h ALA 47 N 0.57 1.91 0.00 -1.41 0.00 -1.29 -0.72 119.26 118.33 1nw2 h ALA 47 Ca -0.08 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1nw2 h ALA 47 Cb 1.39 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1nw2 h ALA 47 CO 0.03 -0.45 0.00 -0.40 0.00 0.00 0.00 179.25 178.44 1nw2 n ASP 48 N -4.93 0.80 -0.00 0.00 5.68 -1.26 -3.96 116.55 112.87 1nw2 n ASP 48 Ca 0.29 0.57 0.03 0.00 -0.50 0.00 0.00 54.79 55.19 1nw2 n ASP 48 Cb 0.87 -0.79 -0.04 0.00 -1.14 0.00 0.00 41.12 40.03 1nw2 n ASP 48 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1nw2 n LYS 49 N -2.25 4.81 -3.63 0.11 2.85 -0.37 -5.05 118.16 114.65 1nw2 n LYS 49 Ca 0.06 -0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.19 1nw2 n LYS 49 Cb 0.43 -0.81 -0.06 0.00 -0.65 0.00 0.00 35.03 33.94 1nw2 n LYS 49 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1nw2 s VAL 50 N -1.62 0.05 -0.18 0.58 -7.23 -0.66 -4.02 120.40 107.31 1nw2 s VAL 50 Ca 0.02 -0.40 0.00 0.00 -1.81 0.00 0.00 61.98 59.79 1nw2 s VAL 50 Cb 0.05 -0.99 0.01 0.00 0.56 0.00 0.00 36.38 36.00 1nw2 s VAL 50 CO 0.27 -0.22 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.79 1nw2 s THR 51 N -2.71 2.42 -0.14 5.32 2.01 -0.41 -4.38 115.64 117.75 1nw2 s THR 51 Ca -0.04 -0.83 -0.16 0.00 0.31 0.00 0.00 61.69 60.98 1nw2 s THR 51 Cb -0.00 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 1nw2 s THR 51 CO -0.04 0.51 0.37 -0.69 -0.69 0.00 0.00 174.62 174.08 1nw2 s VAL 52 N 1.19 5.26 0.12 3.82 1.01 -1.26 -0.77 120.40 129.76 1nw2 s VAL 52 Ca 0.02 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.71 1nw2 s VAL 52 Cb -0.14 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1nw2 s VAL 52 CO -0.08 0.37 0.01 0.00 0.00 0.00 0.00 175.10 175.40 1nw2 s ALA 53 N 0.51 0.92 0.03 5.51 0.00 -0.41 -2.77 121.76 125.56 1nw2 s ALA 53 Ca 0.20 -1.43 0.06 0.00 0.00 0.00 0.00 51.96 50.79 1nw2 s ALA 53 Cb -0.14 0.57 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 1nw2 s ALA 53 CO 0.06 -0.39 -0.17 0.15 0.00 0.00 0.00 175.76 175.42 1nw2 s LYS 54 N -3.96 1.17 -0.13 0.00 1.02 0.15 -1.00 119.74 117.00 1nw2 s LYS 54 Ca 0.19 -0.79 -0.01 0.00 0.02 0.00 0.00 55.97 55.38 1nw2 s LYS 54 Cb 0.07 -1.21 0.03 0.00 -0.52 0.00 0.00 37.83 36.20 1nw2 s LYS 54 CO -0.01 0.31 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.52 1nw2 s LEU 55 N -0.99 1.14 -0.50 3.17 0.20 -0.02 -0.50 118.68 121.17 1nw2 s LEU 55 Ca 0.05 -0.41 -0.27 0.00 0.69 0.00 0.00 54.13 54.19 1nw2 s LEU 55 Cb -0.08 -0.72 0.03 0.00 -0.43 0.00 0.00 46.19 44.99 1nw2 s LEU 55 CO 0.01 -0.18 1.05 0.21 -0.29 0.00 0.00 176.35 177.15 1nw2 s ASN 56 N 1.78 6.51 0.52 3.68 3.84 -1.26 -0.92 114.94 129.09 1nw2 s ASN 56 Ca 0.03 0.18 0.21 0.00 0.21 0.00 0.00 52.86 53.49 1nw2 s ASN 56 Cb -0.14 -2.50 1.37 0.00 -0.55 0.00 0.00 41.25 39.43 1nw2 s ASN 56 CO -0.07 -1.23 2.12 -0.37 -2.79 0.00 0.00 177.10 174.76 1nw2 h VAL 57 N 6.15 0.84 -0.67 -5.21 -1.51 -1.09 -2.32 116.25 112.43 1nw2 h VAL 57 Ca -0.24 -0.27 0.06 0.00 -1.23 0.00 0.00 66.70 65.02 1nw2 h VAL 57 Cb 1.07 1.15 -0.04 0.00 -2.13 0.00 0.00 31.29 31.34 1nw2 h VAL 57 CO 1.10 0.07 0.44 0.44 -1.23 0.00 0.00 177.57 178.40 1nw2 h ASP 58 N 0.00 0.62 -0.08 4.19 3.32 -1.91 -3.00 116.42 119.55 1nw2 h ASP 58 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nw2 h ASP 58 Cb 0.15 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1nw2 h ASP 58 CO 0.01 0.41 0.00 -0.62 -1.72 0.00 0.00 179.24 177.32 1nw2 n GLU 59 N -4.47 1.16 -3.23 3.56 1.02 -0.92 -4.78 120.64 112.99 1nw2 n GLU 59 Ca 0.09 -1.43 -0.24 0.00 -0.02 0.00 0.00 57.16 55.56 1nw2 n GLU 59 Cb 0.21 -1.26 -0.07 0.00 -0.02 0.00 0.00 31.44 30.29 1nw2 n GLU 59 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1nw2 n ASN 60 N 0.73 0.68 -0.12 1.62 3.02 -0.93 -4.87 115.26 115.39 1nw2 n ASN 60 Ca 0.09 -2.80 -0.02 0.00 -0.03 0.00 0.00 54.58 51.82 1nw2 n ASN 60 Cb 0.35 -0.64 0.21 0.00 -0.61 0.00 0.00 39.78 39.08 1nw2 n ASN 60 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1nw2 h PRO 61 N 4.04 0.81 0.07 3.52 0.13 -1.87 -3.07 132.00 135.64 1nw2 h PRO 61 Ca 0.09 -0.16 0.02 0.00 -0.87 0.00 0.00 66.00 65.08 1nw2 h PRO 61 Cb 0.85 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 31.82 1nw2 h PRO 61 CO 0.51 0.72 -0.23 0.93 -0.23 0.00 0.00 178.00 179.71 1nw2 h GLU 62 N 0.78 -0.39 -0.54 0.86 5.08 -1.94 0.58 114.58 119.02 1nw2 h GLU 62 Ca 0.17 0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1nw2 h GLU 62 Cb 0.27 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1nw2 h GLU 62 CO -0.00 -0.26 -0.07 1.15 -1.00 0.00 0.00 179.01 178.83 1nw2 h THR 63 N -0.40 1.27 -0.54 1.13 2.02 -1.93 0.10 112.91 114.55 1nw2 h THR 63 Ca 0.04 -1.21 0.02 0.00 0.77 0.00 0.00 66.41 66.02 1nw2 h THR 63 Cb 0.45 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 1nw2 h THR 63 CO -0.16 0.43 0.34 0.74 0.37 0.00 0.00 175.52 177.24 1nw2 h THR 64 N 0.87 1.10 0.32 3.16 2.02 -1.39 -1.82 112.91 117.17 1nw2 h THR 64 Ca 0.14 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1nw2 h THR 64 Cb 0.63 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1nw2 h THR 64 CO 0.04 0.13 -0.15 -1.28 0.37 0.00 0.00 175.52 174.62 1nw2 h SER 65 N 0.69 -0.37 -0.87 4.18 0.87 0.45 -2.61 113.55 115.89 1nw2 h SER 65 Ca 0.21 -0.11 0.20 0.00 -1.23 0.00 0.00 61.79 60.86 1nw2 h SER 65 Cb -0.03 0.09 -0.12 0.00 -0.44 0.00 0.00 62.40 61.90 1nw2 h SER 65 CO -0.07 -0.10 0.38 -0.61 -0.53 0.00 0.00 176.83 175.90 1nw2 h GLN 66 N -0.64 0.42 -0.62 2.24 4.15 -0.79 0.23 115.11 120.10 1nw2 h GLN 66 Ca -0.04 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1nw2 h GLN 66 Cb 0.45 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.05 1nw2 h GLN 66 CO 0.07 0.27 0.00 1.19 -1.93 0.00 0.00 178.83 178.44 1nw2 n PHE 67 N -5.02 0.81 -3.92 3.99 3.72 -0.70 -4.92 117.46 111.42 1nw2 n PHE 67 Ca 0.20 -0.31 -0.30 0.00 -0.05 0.00 0.00 57.45 56.99 1nw2 n PHE 67 Cb 0.59 -0.18 0.02 0.00 -0.94 0.00 0.00 39.48 38.98 1nw2 n PHE 67 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nw2 n GLY 68 N 0.64 -0.46 3.72 1.37 0.00 0.07 -4.93 105.19 105.59 1nw2 n GLY 68 Ca 0.13 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 1nw2 n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nw2 s ILE 69 N -3.35 3.83 0.00 -0.61 1.01 -0.99 -4.89 121.20 116.20 1nw2 s ILE 69 Ca 0.59 1.40 0.00 0.00 0.00 0.00 0.00 60.65 62.64 1nw2 s ILE 69 Cb -0.30 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.27 1nw2 s ILE 69 CO 0.84 0.16 0.00 1.15 0.00 0.00 0.00 174.94 177.09 1nw2 n MET 70 N 3.33 1.13 -3.65 2.79 0.00 -1.26 -4.91 117.12 114.56 1nw2 n MET 70 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.42 1nw2 n MET 70 Cb 0.46 -0.68 -0.05 0.00 0.00 0.00 0.00 33.22 32.94 1nw2 n MET 70 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1nw2 s SER 71 N -2.06 6.59 -0.11 3.17 0.01 -1.26 -5.09 113.70 114.95 1nw2 s SER 71 Ca 0.00 0.70 0.00 0.00 1.31 0.00 0.00 55.95 57.96 1nw2 s SER 71 Cb 0.00 -2.14 0.02 0.00 0.21 0.00 0.00 66.02 64.11 1nw2 s SER 71 CO 0.00 0.21 -0.09 -0.63 0.41 0.00 0.00 173.24 173.14 1nw2 s ILE 72 N -1.34 1.09 0.57 1.44 -1.09 -1.26 -3.44 121.20 117.17 1nw2 s ILE 72 Ca 0.30 -0.36 -0.08 0.00 -2.23 0.00 0.00 60.65 58.29 1nw2 s ILE 72 Cb -0.14 -1.08 -0.02 0.00 -1.58 0.00 0.00 42.46 39.64 1nw2 s ILE 72 CO 0.17 0.37 0.92 -2.16 -1.23 0.00 0.00 174.94 173.01 1nw2 s PRO 73 N 1.47 3.38 -0.06 2.79 0.04 -1.26 -4.66 135.00 136.70 1nw2 s PRO 73 Ca 0.01 0.37 0.01 0.00 0.04 0.00 0.00 61.00 61.43 1nw2 s PRO 73 Cb -0.13 -2.22 0.02 0.00 0.04 0.00 0.00 34.50 32.20 1nw2 s PRO 73 CO -0.06 -0.50 -0.07 0.99 0.04 0.00 0.00 177.00 177.40 1nw2 s THR 74 N -3.00 0.76 -0.14 1.26 2.01 -1.12 -0.92 115.64 114.49 1nw2 s THR 74 Ca 0.52 -0.24 -0.03 0.00 0.31 0.00 0.00 61.69 62.26 1nw2 s THR 74 Cb -0.11 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.62 1nw2 s THR 74 CO 0.49 0.28 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.89 1nw2 s LEU 75 N 0.97 3.22 -0.10 4.42 1.43 0.11 -0.91 118.68 127.81 1nw2 s LEU 75 Ca -0.10 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1nw2 s LEU 75 Cb -0.15 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.33 1nw2 s LEU 75 CO 0.00 0.19 -0.12 -0.63 0.23 0.00 0.00 176.35 176.03 1nw2 s ILE 76 N 0.21 1.22 -0.21 -0.59 1.01 -0.30 -0.23 121.20 122.32 1nw2 s ILE 76 Ca -0.03 -0.47 -0.18 0.00 0.00 0.00 0.00 60.65 59.98 1nw2 s ILE 76 Cb -0.14 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 1nw2 s ILE 76 CO 0.03 0.39 0.49 -0.22 0.00 0.00 0.00 174.94 175.63 1nw2 s LEU 77 N 1.15 4.13 -0.16 2.97 2.96 -0.04 -0.93 118.68 128.76 1nw2 s LEU 77 Ca -0.05 0.61 -0.07 0.00 -0.22 0.00 0.00 54.13 54.41 1nw2 s LEU 77 Cb -0.14 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.85 1nw2 s LEU 77 CO -0.03 -0.18 0.07 -0.36 -1.32 0.00 0.00 176.35 174.54 1nw2 s PHE 78 N 1.70 3.32 -0.22 5.38 0.40 0.39 -0.88 117.98 128.07 1nw2 s PHE 78 Ca 0.22 0.20 -0.13 0.00 -0.60 0.00 0.00 56.93 56.62 1nw2 s PHE 78 Cb -0.15 -2.02 0.07 0.00 0.51 0.00 0.00 43.02 41.42 1nw2 s PHE 78 CO 0.09 0.32 0.54 0.21 0.70 0.00 0.00 175.22 177.08 1nw2 s LYS 79 N -0.06 0.55 -0.49 0.44 2.20 -0.89 -1.51 119.74 119.98 1nw2 s LYS 79 Ca 0.07 0.96 0.00 0.00 -0.36 0.00 0.00 55.97 56.64 1nw2 s LYS 79 Cb -0.12 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.28 1nw2 s LYS 79 CO 0.01 -0.14 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 1nw2 n GLY 80 N 4.10 0.72 2.64 5.54 0.00 -1.26 -2.79 105.19 114.13 1nw2 n GLY 80 Ca -0.21 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1nw2 n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nw2 n GLY 81 N -2.35 0.30 3.07 -0.02 0.00 -1.25 -4.97 105.19 99.96 1nw2 n GLY 81 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 1nw2 n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nw2 s GLU 82 N -0.89 0.55 0.19 1.61 8.01 -1.12 -4.98 118.70 122.06 1nw2 s GLU 82 Ca 0.00 -1.06 -0.32 0.00 0.01 0.00 0.00 54.97 53.61 1nw2 s GLU 82 Cb 0.00 0.14 -0.11 0.00 -4.31 0.00 0.00 34.13 29.84 1nw2 s GLU 82 CO 0.00 -0.08 1.74 -2.14 0.01 0.00 0.00 175.26 174.79 1nw2 s PRO 83 N -3.20 4.13 -0.01 0.39 0.02 -1.26 -2.10 135.00 132.98 1nw2 s PRO 83 Ca 0.01 2.59 0.08 0.00 0.02 0.00 0.00 61.00 63.70 1nw2 s PRO 83 Cb 0.03 -3.20 -0.12 0.00 0.02 0.00 0.00 34.50 31.23 1nw2 s PRO 83 CO -0.07 -0.77 0.20 1.33 -0.33 0.00 0.00 177.00 177.37 1nw2 n VAL 84 N 4.16 0.00 -3.56 3.83 0.24 -0.06 -4.92 118.33 118.02 1nw2 n VAL 84 Ca 0.16 -0.21 -0.15 0.00 -2.04 0.00 0.00 64.34 62.11 1nw2 n VAL 84 Cb 0.36 0.43 -0.06 0.00 -1.47 0.00 0.00 33.84 33.10 1nw2 n VAL 84 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1nw2 s LYS 85 N -2.42 0.85 -0.01 7.34 2.20 -1.22 -5.00 119.74 121.47 1nw2 s LYS 85 Ca -0.02 0.35 0.01 0.00 -0.36 0.00 0.00 55.97 55.95 1nw2 s LYS 85 Cb 0.05 0.40 0.00 0.00 -1.51 0.00 0.00 37.83 36.78 1nw2 s LYS 85 CO 0.33 -0.23 -0.03 -1.14 -0.36 0.00 0.00 175.35 173.92 1nw2 s GLN 86 N -0.84 0.27 -0.03 4.03 0.74 -1.26 -0.86 119.66 121.72 1nw2 s GLN 86 Ca -0.06 -0.08 0.04 0.00 0.05 0.00 0.00 55.36 55.31 1nw2 s GLN 86 Cb -0.01 -0.29 -0.01 0.00 1.10 0.00 0.00 33.01 33.80 1nw2 s GLN 86 CO 0.05 0.03 -0.16 -0.51 -0.55 0.00 0.00 175.29 174.16 1nw2 s LEU 87 N 0.11 1.95 0.17 3.68 1.43 0.69 -4.97 118.68 121.74 1nw2 s LEU 87 Ca -0.01 -0.30 0.11 0.00 -1.03 0.00 0.00 54.13 52.90 1nw2 s LEU 87 Cb -0.03 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.30 1nw2 s LEU 87 CO -0.00 0.16 -0.24 0.27 0.23 0.00 0.00 176.35 176.77 1nw2 s ILE 88 N -0.15 2.28 0.01 -0.59 -4.36 -1.26 0.06 121.20 117.19 1nw2 s ILE 88 Ca 0.01 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.47 1nw2 s ILE 88 Cb -0.08 -2.06 0.00 0.00 1.25 0.00 0.00 42.46 41.57 1nw2 s ILE 88 CO 0.01 -0.07 0.00 0.61 0.24 0.00 0.00 174.94 175.73 1nw2 n GLY 89 N 0.47 -2.24 3.72 6.27 0.00 -0.09 -4.85 105.19 108.47 1nw2 n GLY 89 Ca -0.14 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 1nw2 n GLY 89 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1nw2 s TYR 90 N -0.90 2.89 -0.31 1.61 5.04 -1.26 -4.78 117.35 119.64 1nw2 s TYR 90 Ca 0.00 0.41 0.02 0.00 -2.44 0.00 0.00 57.07 55.06 1nw2 s TYR 90 Cb 0.00 -4.07 0.09 0.00 0.35 0.00 0.00 41.96 38.33 1nw2 s TYR 90 CO 0.00 -4.07 0.04 -0.65 -1.34 0.00 0.00 175.55 169.53 1nw2 s GLN 91 N 1.30 1.32 0.78 4.97 -1.52 -1.26 -5.10 119.66 120.16 1nw2 s GLN 91 Ca 0.74 -1.51 -0.11 0.00 -1.95 0.00 0.00 55.36 52.53 1nw2 s GLN 91 Cb -0.47 -2.77 0.06 0.00 -0.22 0.00 0.00 33.01 29.61 1nw2 s GLN 91 CO 0.32 -0.89 1.09 -1.25 -0.25 0.00 0.00 175.29 174.31 1nw2 s PRO 92 N 1.18 2.21 0.13 2.91 0.04 -1.26 -4.64 135.00 135.57 1nw2 s PRO 92 Ca 0.07 1.05 -0.23 0.00 0.04 0.00 0.00 61.00 61.93 1nw2 s PRO 92 Cb -0.19 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1nw2 s PRO 92 CO -0.12 -1.64 1.22 1.17 0.04 0.00 0.00 177.00 177.67 1nw2 n LYS 93 N -3.51 -0.33 -0.19 4.56 4.81 -1.26 -0.86 118.16 121.38 1nw2 n LYS 93 Ca 0.08 1.20 -0.03 0.00 -0.87 0.00 0.00 58.31 58.69 1nw2 n LYS 93 Cb 0.54 -1.77 0.16 0.00 0.02 0.00 0.00 35.03 33.98 1nw2 n LYS 93 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1nw2 h GLU 94 N 0.00 0.97 -0.46 1.64 3.07 -1.99 -1.06 114.58 116.74 1nw2 h GLU 94 Ca 0.14 -0.17 -0.14 0.00 -0.50 0.00 0.00 59.36 58.70 1nw2 h GLU 94 Cb 0.34 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 1nw2 h GLU 94 CO -0.75 0.80 -0.25 1.96 -1.40 0.00 0.00 179.01 179.37 1nw2 h GLN 95 N 0.95 0.99 -0.19 2.33 4.20 -1.56 0.40 115.11 122.23 1nw2 h GLN 95 Ca 0.22 -0.44 -0.00 0.00 0.06 0.00 0.00 58.65 58.49 1nw2 h GLN 95 Cb 0.20 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1nw2 h GLN 95 CO -0.02 1.11 0.10 1.25 -0.67 0.00 0.00 178.83 180.61 1nw2 h LEU 96 N 0.84 0.23 -0.15 1.46 5.85 -0.70 0.05 115.31 122.90 1nw2 h LEU 96 Ca 0.10 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1nw2 h LEU 96 Cb 0.83 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 1nw2 h LEU 96 CO 0.07 0.24 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.30 1nw2 h GLU 97 N 0.20 0.00 -0.83 1.25 4.57 -1.00 -0.72 114.58 118.05 1nw2 h GLU 97 Ca 0.07 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 1nw2 h GLU 97 Cb 0.06 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 1nw2 h GLU 97 CO -0.01 0.00 0.40 0.00 -1.18 0.00 0.00 179.01 178.22 1nw2 h ALA 98 N 1.14 1.08 -0.06 2.92 0.00 -0.68 -0.77 119.26 122.89 1nw2 h ALA 98 Ca 0.07 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1nw2 h ALA 98 Cb 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1nw2 h ALA 98 CO -0.15 0.64 -0.65 1.96 0.00 0.00 0.00 179.25 181.06 1nw2 h GLN 99 N 1.19 0.25 -0.01 0.00 1.08 -0.80 -3.29 115.11 113.53 1nw2 h GLN 99 Ca 0.29 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1nw2 h GLN 99 Cb 0.12 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1nw2 h GLN 99 CO -0.04 0.81 -0.74 1.28 -0.95 0.00 0.00 178.83 179.20 1nw2 n LEU 100 N -3.84 1.29 -0.30 1.46 4.77 -0.29 -4.44 117.00 115.63 1nw2 n LEU 100 Ca -0.03 -0.52 0.19 0.00 -0.03 0.00 0.00 56.01 55.63 1nw2 n LEU 100 Cb 0.65 -0.03 0.47 0.00 -2.33 0.00 0.00 43.42 42.17 1nw2 n LEU 100 CO 0.45 0.28 1.22 0.00 -1.33 0.00 0.00 177.39 178.00 1nw2 h ALA 101 N 3.33 2.10 -0.00 -1.18 0.00 -1.21 -1.54 119.26 120.75 1nw2 h ALA 101 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1nw2 h ALA 101 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1nw2 h ALA 101 CO 0.00 -0.46 -0.27 -0.40 0.00 0.00 0.00 179.25 178.12 1nw2 n ASP 102 N -4.61 0.68 -0.40 0.00 5.68 -1.26 -3.82 116.55 112.81 1nw2 n ASP 102 Ca 0.23 -0.55 0.04 0.00 -0.50 0.00 0.00 54.79 54.01 1nw2 n ASP 102 Cb 0.75 0.08 0.07 0.00 -1.14 0.00 0.00 41.12 40.87 1nw2 n ASP 102 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1nw2 n VAL 103 N -1.01 0.41 -1.45 2.12 0.24 -0.60 -4.59 118.33 113.45 1nw2 n VAL 103 Ca 0.10 -0.70 -0.02 0.00 -2.04 0.00 0.00 64.34 61.68 1nw2 n VAL 103 Cb 0.33 0.90 0.20 0.00 -1.47 0.00 0.00 33.84 33.80 1nw2 n VAL 103 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1nw2 n LEU 104 N 0.39 3.84 0.00 1.34 4.77 -1.11 -5.06 117.00 121.17 1nw2 n LEU 104 Ca 0.07 -3.75 0.00 0.00 -0.03 0.00 0.00 56.01 52.30 1nw2 n LEU 104 Cb 0.28 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1nw2 n LEU 104 CO 0.06 1.25 0.02 0.00 -1.33 0.00 0.00 177.39 177.38