#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 2.41 -0.15 0.00 2.01 -1.26 -4.58 115.64 114.06 1nw2 s THR 2 Ca 0.00 -1.06 -0.05 0.00 0.31 0.00 0.00 61.69 60.88 1nw2 s THR 2 Cb 0.00 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 1nw2 s THR 2 CO 0.00 0.52 0.03 -0.32 -0.69 0.00 0.00 174.62 174.16 1nw2 s MET 3 N -0.83 3.69 -0.16 4.92 1.75 -0.35 -4.97 119.30 123.35 1nw2 s MET 3 Ca 0.11 -0.39 -0.22 0.00 -1.25 0.00 0.00 55.69 53.95 1nw2 s MET 3 Cb -0.10 -3.06 -0.03 0.00 2.84 0.00 0.00 34.83 34.48 1nw2 s MET 3 CO 0.01 0.37 0.66 0.99 -0.65 0.00 0.00 175.02 176.40 1nw2 s THR 4 N 0.05 5.02 0.23 10.11 2.01 -1.26 0.59 115.64 132.39 1nw2 s THR 4 Ca 0.04 1.28 0.08 0.00 0.31 0.00 0.00 61.69 63.40 1nw2 s THR 4 Cb -0.13 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 1nw2 s THR 4 CO 0.01 0.15 0.05 -0.76 -0.69 0.00 0.00 174.62 173.38 1nw2 s LEU 5 N 1.60 3.41 0.18 4.42 1.43 0.61 -4.89 118.68 125.44 1nw2 s LEU 5 Ca 0.32 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1nw2 s LEU 5 Cb -0.16 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1nw2 s LEU 5 CO 0.12 0.02 0.10 0.42 0.23 0.00 0.00 176.35 177.25 1nw2 s THR 6 N -2.08 0.07 0.52 5.49 -4.23 -1.26 -4.51 115.64 109.65 1nw2 s THR 6 Ca 0.31 -1.97 0.17 0.00 -1.18 0.00 0.00 61.69 59.02 1nw2 s THR 6 Cb -0.08 -2.37 0.29 0.00 1.34 0.00 0.00 72.50 71.68 1nw2 s THR 6 CO 0.21 -0.15 2.14 0.44 -0.54 0.00 0.00 174.62 176.72 1nw2 h ASP 7 N 2.68 0.00 -0.13 3.99 3.32 -1.90 -0.05 116.42 124.33 1nw2 h ASP 7 Ca -0.36 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.46 1nw2 h ASP 7 Cb 1.23 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.80 1nw2 h ASP 7 CO 0.55 0.00 -0.81 0.00 -1.72 0.00 0.00 179.24 177.27 1nw2 h ALA 8 N 1.97 0.30 -0.02 3.45 0.00 -1.99 -3.36 119.26 119.62 1nw2 h ALA 8 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1nw2 h ALA 8 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1nw2 h ALA 8 CO -0.00 0.69 -0.31 0.27 0.00 0.00 0.00 179.25 179.90 1nw2 n ASN 9 N -3.93 1.97 -0.10 0.00 0.23 -1.02 -4.67 115.26 107.74 1nw2 n ASN 9 Ca -0.08 -1.48 -0.06 0.00 -0.53 0.00 0.00 54.58 52.42 1nw2 n ASN 9 Cb 0.76 0.37 -0.00 0.00 -2.08 0.00 0.00 39.78 38.83 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 2.43 -0.59 -0.20 -2.53 3.57 -1.16 -2.33 116.94 116.14 1nw2 h PHE 10 Ca 0.00 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1nw2 h PHE 10 Cb 0.67 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 1nw2 h PHE 10 CO 0.00 -0.30 -0.04 1.96 -2.23 0.00 0.00 178.31 177.70 1nw2 h GLN 11 N -0.18 0.01 -0.85 1.11 1.08 -1.83 -1.88 115.11 112.57 1nw2 h GLN 11 Ca 0.18 -0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.40 1nw2 h GLN 11 Cb 0.45 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.83 1nw2 h GLN 11 CO -0.46 0.01 0.56 1.96 -0.95 0.00 0.00 178.83 179.95 1nw2 h GLN 12 N 0.01 1.08 -0.75 1.46 4.20 -1.85 -2.46 115.11 116.81 1nw2 h GLN 12 Ca 0.09 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.78 1nw2 h GLN 12 Cb 0.14 -0.24 -0.05 0.00 0.30 0.00 0.00 27.48 27.62 1nw2 h GLN 12 CO -0.19 0.71 0.46 0.00 -0.67 0.00 0.00 178.83 179.14 1nw2 h ALA 13 N 1.48 1.00 -0.18 3.87 0.00 -0.80 -2.09 119.26 122.54 1nw2 h ALA 13 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1nw2 h ALA 13 Cb -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1nw2 h ALA 13 CO -0.08 0.21 0.00 0.44 0.00 0.00 0.00 179.25 179.82 1nw2 n ILE 14 N -4.67 0.23 -1.04 0.00 -5.35 -0.85 -2.86 119.36 104.82 1nw2 n ILE 14 Ca 0.09 -0.32 -0.01 0.00 -0.27 0.00 0.00 62.75 62.24 1nw2 n ILE 14 Cb 0.13 0.26 0.31 0.00 -1.74 0.00 0.00 39.64 38.59 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 0.21 3.69 -2.05 6.28 1.13 -0.79 -3.44 117.38 122.42 1nw2 n GLN 15 Ca 0.14 -3.08 -0.28 0.00 -1.94 0.00 0.00 57.00 51.84 1nw2 n GLN 15 Cb 0.28 -2.14 0.15 0.00 0.11 0.00 0.00 30.24 28.64 1nw2 n GLN 15 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1nw2 s GLY 16 N -1.26 1.74 0.00 1.08 0.00 -1.14 -5.05 107.32 102.69 1nw2 s GLY 16 Ca 0.52 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 44.08 1nw2 s GLY 16 CO 0.12 -0.50 0.81 1.22 0.00 0.00 0.00 173.10 174.75 1nw2 n ASP 17 N -3.47 0.00 -4.90 1.64 8.00 -1.26 -4.83 116.55 111.73 1nw2 n ASP 17 Ca 0.13 0.89 -0.28 0.00 0.71 0.00 0.00 54.79 56.24 1nw2 n ASP 17 Cb 0.60 -0.47 -0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1nw2 n ASP 17 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1nw2 s LYS 18 N -2.56 3.57 0.84 -1.24 -2.85 -1.26 -4.94 119.74 111.31 1nw2 s LYS 18 Ca 0.00 0.31 -0.14 0.00 -1.00 0.00 0.00 55.97 55.14 1nw2 s LYS 18 Cb 0.00 -2.33 0.03 0.00 -2.06 0.00 0.00 37.83 33.47 1nw2 s LYS 18 CO 0.00 -0.24 0.69 -2.30 0.10 0.00 0.00 175.35 173.60 1nw2 n PRO 19 N -2.24 0.02 -4.40 1.78 -0.02 -1.26 -4.70 135.00 124.18 1nw2 n PRO 19 Ca 0.02 0.06 -0.26 0.00 -2.02 0.00 0.00 63.50 61.29 1nw2 n PRO 19 Cb 0.55 -2.03 -0.17 0.00 -0.02 0.00 0.00 33.50 31.84 1nw2 n PRO 19 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nw2 s VAL 20 N -2.18 1.24 -0.31 -1.45 1.01 -0.34 -1.10 120.40 117.27 1nw2 s VAL 20 Ca 0.64 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 1nw2 s VAL 20 Cb -0.28 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1nw2 s VAL 20 CO 0.60 0.39 0.19 -0.22 0.00 0.00 0.00 175.10 176.05 1nw2 s LEU 21 N 0.99 4.17 -0.22 3.92 2.96 0.98 -0.60 118.68 130.88 1nw2 s LEU 21 Ca -0.08 -0.29 -0.06 0.00 -0.22 0.00 0.00 54.13 53.48 1nw2 s LEU 21 Cb -0.15 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1nw2 s LEU 21 CO -0.01 -0.15 0.03 -0.69 -1.32 0.00 0.00 176.35 174.21 1nw2 s VAL 22 N 1.70 4.11 -0.39 1.68 1.01 -0.16 -0.44 120.40 127.91 1nw2 s VAL 22 Ca 0.06 -0.25 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 1nw2 s VAL 22 Cb -0.17 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.34 1nw2 s VAL 22 CO 0.09 0.40 0.48 -0.62 0.00 0.00 0.00 175.10 175.44 1nw2 s ASP 23 N 1.20 6.24 -0.48 3.32 2.15 -0.02 -1.46 116.67 127.63 1nw2 s ASP 23 Ca 0.04 -0.38 -0.24 0.00 0.43 0.00 0.00 52.55 52.40 1nw2 s ASP 23 Cb -0.14 -2.25 0.03 0.00 -0.30 0.00 0.00 42.92 40.26 1nw2 s ASP 23 CO 0.02 -0.54 0.87 -0.36 -0.17 0.00 0.00 175.17 174.99 1nw2 s PHE 24 N 2.29 2.93 0.35 -5.34 0.40 0.10 -0.96 117.98 117.75 1nw2 s PHE 24 Ca 0.15 0.20 0.04 0.00 -0.60 0.00 0.00 56.93 56.72 1nw2 s PHE 24 Cb -0.16 -3.86 -0.04 0.00 0.51 0.00 0.00 43.02 39.47 1nw2 s PHE 24 CO 0.14 -1.10 0.13 1.67 0.70 0.00 0.00 175.22 176.76 1nw2 s TRP 25 N 3.59 1.74 -0.02 0.36 1.48 -0.81 -2.90 118.94 122.38 1nw2 s TRP 25 Ca 0.32 -1.26 -0.15 0.00 -1.06 0.00 0.00 56.10 53.95 1nw2 s TRP 25 Cb -0.11 -1.06 0.03 0.00 -1.16 0.00 0.00 33.47 31.16 1nw2 s TRP 25 CO 0.23 -0.34 0.32 0.00 -4.06 0.00 0.00 176.95 173.11 1nw2 s ALA 26 N -3.38 -0.82 0.40 2.67 0.00 -1.26 -0.26 121.76 119.11 1nw2 s ALA 26 Ca 0.31 0.40 0.11 0.00 0.00 0.00 0.00 51.96 52.78 1nw2 s ALA 26 Cb 0.05 0.02 0.92 0.00 0.00 0.00 0.00 23.12 24.11 1nw2 s ALA 26 CO 0.16 -0.26 1.94 0.00 0.00 0.00 0.00 175.76 177.60 1nw2 h ALA 27 N 3.98 1.92 0.00 0.00 0.00 -2.01 -0.27 119.26 122.88 1nw2 h ALA 27 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1nw2 h ALA 27 Cb 1.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1nw2 h ALA 27 CO 0.39 -0.08 0.00 -2.67 0.00 0.00 0.00 179.25 176.89 1nw2 n TRP 28 N -4.49 0.00 -3.00 0.00 4.27 -1.26 -4.73 117.44 108.23 1nw2 n TRP 28 Ca 0.12 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.30 1nw2 n TRP 28 Cb 0.39 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.28 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 10.30 0.30 0.98 0.00 0.00 -1.87 -2.81 103.07 109.98 1nw2 h GLY 30 Ca -0.27 -0.19 0.08 0.00 0.00 0.00 0.00 47.33 46.96 1nw2 h GLY 30 CO 1.02 0.18 0.46 -2.55 0.00 0.00 0.00 176.54 175.65 1nw2 h PRO 31 N 0.10 0.62 -0.74 4.80 0.11 -1.93 -1.96 132.00 133.00 1nw2 h PRO 31 Ca 0.06 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1nw2 h PRO 31 Cb 0.26 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.19 1nw2 h PRO 31 CO 0.00 0.41 0.43 0.00 -0.21 0.00 0.00 178.00 178.63 1nw2 h ARG 33 N 1.01 1.04 -0.03 0.00 3.08 -1.18 0.05 114.38 118.35 1nw2 h ARG 33 Ca 0.26 -0.11 -0.19 0.00 0.07 0.00 0.00 59.98 60.02 1nw2 h ARG 33 Cb -0.01 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 1nw2 h ARG 33 CO -0.05 0.75 -0.79 1.98 -1.07 0.00 0.00 179.97 180.80 1nw2 h MET 34 N 1.05 0.27 0.00 0.04 4.05 -1.27 -3.19 114.93 115.88 1nw2 h MET 34 Ca 0.27 -0.25 -0.05 0.00 -0.28 0.00 0.00 59.70 59.39 1nw2 h MET 34 Cb 0.00 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 1nw2 h MET 34 CO -0.05 0.93 -0.24 1.98 0.23 0.00 0.00 176.91 179.76 1nw2 h MET 35 N 0.17 0.00 -0.30 0.39 4.05 -0.16 -3.36 114.93 115.72 1nw2 h MET 35 Ca -0.04 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.44 1nw2 h MET 35 Cb 1.38 0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 32.10 1nw2 h MET 35 CO 0.13 0.24 -0.47 0.00 0.23 0.00 0.00 176.91 177.04 1nw2 h ALA 36 N 1.76 -0.60 0.00 0.39 0.00 -1.00 0.11 119.26 119.92 1nw2 h ALA 36 Ca -0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1nw2 h ALA 36 Cb 0.81 0.92 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1nw2 h ALA 36 CO 0.03 -0.94 -0.10 -1.00 0.00 0.00 0.00 179.25 177.24 1nw2 h PRO 37 N -0.42 0.00 -0.45 0.00 0.13 -1.79 -1.44 132.00 128.03 1nw2 h PRO 37 Ca 0.10 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.12 1nw2 h PRO 37 Cb 0.61 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 1nw2 h PRO 37 CO -0.51 0.10 -0.14 0.28 -0.23 0.00 0.00 178.00 177.49 1nw2 h VAL 38 N 0.00 1.27 -0.19 1.56 2.07 -1.35 -1.35 116.25 118.27 1nw2 h VAL 38 Ca -0.00 -1.27 -0.13 0.00 0.82 0.00 0.00 66.70 66.11 1nw2 h VAL 38 Cb 0.18 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1nw2 h VAL 38 CO 0.01 0.43 -0.45 -0.07 0.02 0.00 0.00 177.57 177.52 1nw2 h LEU 39 N 0.72 0.50 -0.33 2.57 3.38 -0.38 -1.54 115.31 120.23 1nw2 h LEU 39 Ca 0.11 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1nw2 h LEU 39 Cb 0.69 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1nw2 h LEU 39 CO 0.05 0.89 0.12 -0.08 0.09 0.00 0.00 178.44 179.51 1nw2 h GLU 40 N 0.38 0.50 -0.80 1.13 4.81 -1.14 0.76 114.58 120.22 1nw2 h GLU 40 Ca 0.03 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1nw2 h GLU 40 Cb 0.94 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.21 1nw2 h GLU 40 CO 0.08 0.51 0.36 1.49 -0.73 0.00 0.00 179.01 180.73 1nw2 h GLU 41 N 0.38 1.16 -0.70 1.92 4.81 -1.16 -0.76 114.58 120.23 1nw2 h GLU 41 Ca 0.11 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1nw2 h GLU 41 Cb 0.21 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1nw2 h GLU 41 CO -0.01 0.91 0.24 0.35 -0.73 0.00 0.00 179.01 179.77 1nw2 h PHE 42 N 1.15 1.12 -0.45 0.92 3.57 -0.91 -1.75 116.94 120.58 1nw2 h PHE 42 Ca 0.27 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1nw2 h PHE 42 Cb 0.15 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 1nw2 h PHE 42 CO 0.02 0.88 0.20 0.00 -2.23 0.00 0.00 178.31 177.18 1nw2 h ALA 43 N 1.11 0.59 -0.10 2.41 0.00 -0.26 -1.64 119.26 121.36 1nw2 h ALA 43 Ca 0.23 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1nw2 h ALA 43 Cb 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1nw2 h ALA 43 CO -0.01 0.17 -0.21 0.93 0.00 0.00 0.00 179.25 180.13 1nw2 h GLU 44 N 0.59 0.16 -0.00 0.00 5.08 -0.91 -1.55 114.58 117.95 1nw2 h GLU 44 Ca 0.15 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1nw2 h GLU 44 Cb 0.16 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1nw2 h GLU 44 CO -0.02 0.37 -0.20 0.00 -1.00 0.00 0.00 179.01 178.17 1nw2 n ALA 45 N -2.49 2.86 -1.94 3.43 0.00 -0.68 -3.99 120.51 117.70 1nw2 n ALA 45 Ca -0.01 -0.23 0.05 0.00 0.00 0.00 0.00 53.44 53.25 1nw2 n ALA 45 Cb 0.31 -1.32 0.09 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.35 0.00 -0.20 0.00 8.25 -0.65 -4.87 115.22 116.40 1nw2 n HIS 46 Ca 0.09 -0.81 0.19 0.00 -0.26 0.00 0.00 57.72 56.92 1nw2 n HIS 46 Cb 0.32 -0.17 0.54 0.00 1.12 0.00 0.00 29.99 31.80 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 0.71 2.24 0.00 -1.41 0.00 -1.43 -0.64 119.26 118.73 1nw2 h ALA 47 Ca -0.09 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1nw2 h ALA 47 Cb 1.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1nw2 h ALA 47 CO 0.04 -0.49 -0.13 -0.44 0.00 0.00 0.00 179.25 178.23 1nw2 h ASP 48 N 0.35 0.00 0.00 0.00 5.19 -1.89 -3.36 116.42 116.71 1nw2 h ASP 48 Ca 0.42 -0.01 -0.17 0.00 -0.62 0.00 0.00 57.03 56.65 1nw2 h ASP 48 Cb 1.10 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.57 1nw2 h ASP 48 CO -0.13 0.00 -1.89 0.29 -3.12 0.00 0.00 179.24 174.39 1nw2 n LYS 49 N -2.82 1.20 -3.53 3.56 5.02 -0.62 -5.05 118.16 115.92 1nw2 n LYS 49 Ca 0.04 -0.06 -0.12 0.00 -2.02 0.00 0.00 58.31 56.16 1nw2 n LYS 49 Cb 0.51 -1.37 -0.04 0.00 -0.02 0.00 0.00 35.03 34.11 1nw2 n LYS 49 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1nw2 s VAL 50 N -2.62 0.03 -0.22 -0.18 0.11 -0.34 -4.17 120.40 113.02 1nw2 s VAL 50 Ca -0.07 -0.28 -0.05 0.00 -2.93 0.00 0.00 61.98 58.66 1nw2 s VAL 50 Cb 0.06 -1.07 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1nw2 s VAL 50 CO 0.62 -0.15 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.33 1nw2 s THR 51 N -3.56 3.68 -0.16 5.04 2.01 -0.26 -4.41 115.64 117.98 1nw2 s THR 51 Ca 0.01 -0.40 -0.13 0.00 0.31 0.00 0.00 61.69 61.48 1nw2 s THR 51 Cb 0.00 -2.67 -0.05 0.00 0.01 0.00 0.00 72.50 69.79 1nw2 s THR 51 CO -0.11 0.42 0.28 -0.69 -0.69 0.00 0.00 174.62 173.83 1nw2 s VAL 52 N 1.31 5.32 0.13 3.82 1.01 -1.26 -0.02 120.40 130.71 1nw2 s VAL 52 Ca 0.04 0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.56 1nw2 s VAL 52 Cb -0.14 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1nw2 s VAL 52 CO -0.00 0.39 -0.07 0.00 0.00 0.00 0.00 175.10 175.42 1nw2 s ALA 53 N 0.45 1.20 -0.04 5.51 0.00 0.41 -1.21 121.76 128.08 1nw2 s ALA 53 Ca 0.16 -1.44 0.05 0.00 0.00 0.00 0.00 51.96 50.73 1nw2 s ALA 53 Cb -0.13 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 1nw2 s ALA 53 CO 0.03 -0.20 -0.19 0.15 0.00 0.00 0.00 175.76 175.56 1nw2 s LYS 54 N -3.81 1.84 -0.18 0.00 1.02 0.20 -0.84 119.74 117.96 1nw2 s LYS 54 Ca 0.15 -0.66 -0.00 0.00 0.02 0.00 0.00 55.97 55.48 1nw2 s LYS 54 Cb 0.04 -1.62 0.04 0.00 -0.52 0.00 0.00 37.83 35.77 1nw2 s LYS 54 CO -0.02 0.29 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.47 1nw2 s LEU 55 N -0.08 1.90 -0.41 3.17 0.20 -0.13 -0.28 118.68 123.04 1nw2 s LEU 55 Ca -0.02 -0.79 -0.29 0.00 0.69 0.00 0.00 54.13 53.72 1nw2 s LEU 55 Cb -0.11 -1.02 0.02 0.00 -0.43 0.00 0.00 46.19 44.65 1nw2 s LEU 55 CO 0.02 -0.18 1.21 0.21 -0.29 0.00 0.00 176.35 177.32 1nw2 s ASN 56 N 1.55 6.62 0.49 3.68 3.84 -1.26 -1.92 114.94 127.94 1nw2 s ASN 56 Ca -0.01 0.75 0.26 0.00 0.21 0.00 0.00 52.86 54.07 1nw2 s ASN 56 Cb -0.16 -2.55 1.28 0.00 -0.55 0.00 0.00 41.25 39.27 1nw2 s ASN 56 CO -0.08 -1.21 2.00 -0.37 -2.79 0.00 0.00 177.10 174.65 1nw2 h VAL 57 N 6.16 0.61 0.00 -5.21 -1.51 -0.93 -2.57 116.25 112.81 1nw2 h VAL 57 Ca -0.24 -0.72 -0.01 0.00 -1.23 0.00 0.00 66.70 64.50 1nw2 h VAL 57 Cb 1.08 1.46 -0.00 0.00 -2.13 0.00 0.00 31.29 31.70 1nw2 h VAL 57 CO 1.09 0.16 -0.04 0.44 -1.23 0.00 0.00 177.57 177.99 1nw2 h ASP 58 N 0.00 0.00 -0.08 4.19 3.32 -1.91 -3.13 116.42 118.81 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 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1nw2 h ASP 58 CO 0.02 0.04 0.00 -0.62 -1.72 0.00 0.00 179.24 176.96 1nw2 n GLU 59 N -4.43 1.85 -3.18 3.56 1.02 -1.00 -4.79 120.64 113.67 1nw2 n GLU 59 Ca -0.03 -1.37 -0.22 0.00 -0.02 0.00 0.00 57.16 55.52 1nw2 n GLU 59 Cb 0.12 -1.08 -0.05 0.00 -0.02 0.00 0.00 31.44 30.41 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 -0.05 0.33 0.19 1.62 3.02 -1.02 -4.84 115.26 114.50 1nw2 n ASN 60 Ca 0.03 -2.81 0.04 0.00 -0.03 0.00 0.00 54.58 51.81 1nw2 n ASN 60 Cb 0.24 -0.58 0.43 0.00 -0.61 0.00 0.00 39.78 39.26 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 3.66 0.06 0.59 3.52 0.13 -1.87 -3.08 132.00 135.00 1nw2 h PRO 61 Ca 0.08 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.17 1nw2 h PRO 61 Cb 0.91 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 1nw2 h PRO 61 CO 0.47 0.29 -0.37 0.93 -0.23 0.00 0.00 178.00 179.09 1nw2 h GLU 62 N 0.05 -0.87 -0.60 0.86 4.39 -1.94 -0.39 114.58 116.09 1nw2 h GLU 62 Ca 0.01 0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 1nw2 h GLU 62 Cb 0.45 0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1nw2 h GLU 62 CO 0.03 -0.58 0.01 1.15 -1.16 0.00 0.00 179.01 178.46 1nw2 h THR 63 N -0.91 1.26 -0.62 1.13 2.02 -1.92 -1.82 112.91 112.05 1nw2 h THR 63 Ca -0.07 -1.12 -0.05 0.00 0.77 0.00 0.00 66.41 65.93 1nw2 h THR 63 Cb 0.74 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1nw2 h THR 63 CO 0.07 0.41 0.19 0.74 0.37 0.00 0.00 175.52 177.30 1nw2 h THR 64 N 0.95 1.25 -0.08 3.16 2.02 -1.48 -2.80 112.91 115.92 1nw2 h THR 64 Ca 0.17 -0.85 -0.18 0.00 0.77 0.00 0.00 66.41 66.33 1nw2 h THR 64 Cb 0.53 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1nw2 h THR 64 CO 0.03 0.32 -0.70 0.77 0.37 0.00 0.00 175.52 176.31 1nw2 h SER 65 N 0.89 0.45 -0.59 4.18 4.64 -0.96 -3.02 113.55 119.15 1nw2 h SER 65 Ca 0.20 -0.28 0.03 0.00 -0.47 0.00 0.00 61.79 61.27 1nw2 h SER 65 Cb 0.30 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 1nw2 h SER 65 CO -0.01 1.01 0.39 1.56 -0.87 0.00 0.00 176.83 178.91 1nw2 h GLN 66 N 0.27 0.66 -0.48 4.77 4.20 -1.14 -2.32 115.11 121.06 1nw2 h GLN 66 Ca -0.02 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1nw2 h GLN 66 Cb 1.26 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.89 1nw2 h GLN 66 CO 0.12 0.43 0.00 1.19 -0.67 0.00 0.00 178.83 179.90 1nw2 n PHE 67 N -4.47 0.64 -3.32 2.96 3.72 -1.07 -4.96 117.46 110.96 1nw2 n PHE 67 Ca 0.07 -0.32 -0.24 0.00 -0.05 0.00 0.00 57.45 56.91 1nw2 n PHE 67 Cb 0.14 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.72 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 1.33 -0.52 3.75 1.37 0.00 -0.88 -4.94 105.19 105.30 1nw2 n GLY 68 Ca 0.17 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.20 2.13 -0.02 -0.61 -1.09 -1.15 -4.90 121.20 112.36 1nw2 s ILE 69 Ca 0.43 0.11 0.02 0.00 -2.23 0.00 0.00 60.65 58.98 1nw2 s ILE 69 Cb -0.20 -3.07 -0.03 0.00 -1.58 0.00 0.00 42.46 37.58 1nw2 s ILE 69 CO 0.54 0.02 0.01 0.23 -1.23 0.00 0.00 174.94 174.50 1nw2 n MET 70 N 2.19 3.40 -4.02 2.79 2.81 -1.26 -4.96 117.12 118.07 1nw2 n MET 70 Ca 0.08 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.87 1nw2 n MET 70 Cb 0.38 -1.06 -0.11 0.00 -0.71 0.00 0.00 33.22 31.72 1nw2 n MET 70 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1nw2 s SER 71 N -3.34 0.47 -0.12 7.83 1.04 -1.26 -5.15 113.70 113.17 1nw2 s SER 71 Ca -0.01 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1nw2 s SER 71 Cb 0.01 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.20 1nw2 s SER 71 CO 0.09 -0.32 -0.13 -0.63 0.98 0.00 0.00 173.24 173.23 1nw2 s ILE 72 N -1.81 3.03 0.55 -1.02 -1.09 -1.26 -3.77 121.20 115.82 1nw2 s ILE 72 Ca -0.11 -0.68 -0.06 0.00 -2.23 0.00 0.00 60.65 57.57 1nw2 s ILE 72 Cb -0.07 -2.26 -0.02 0.00 -1.58 0.00 0.00 42.46 38.53 1nw2 s ILE 72 CO -0.02 0.53 0.87 -2.16 -1.23 0.00 0.00 174.94 172.94 1nw2 s PRO 73 N 0.19 3.31 -0.05 2.79 0.04 -1.26 -4.92 135.00 135.11 1nw2 s PRO 73 Ca -0.08 0.22 -0.03 0.00 0.04 0.00 0.00 61.00 61.15 1nw2 s PRO 73 Cb -0.15 -2.29 0.02 0.00 0.04 0.00 0.00 34.50 32.13 1nw2 s PRO 73 CO 0.05 -0.46 0.11 0.99 0.04 0.00 0.00 177.00 177.74 1nw2 s THR 74 N -2.91 -0.03 -0.06 1.26 2.01 -1.14 -0.87 115.64 113.90 1nw2 s THR 74 Ca 0.51 0.10 0.05 0.00 0.31 0.00 0.00 61.69 62.65 1nw2 s THR 74 Cb -0.10 -0.18 -0.02 0.00 0.01 0.00 0.00 72.50 72.21 1nw2 s THR 74 CO 0.46 0.04 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.49 1nw2 s LEU 75 N 0.63 2.45 -0.08 4.42 1.43 0.24 -0.72 118.68 127.04 1nw2 s LEU 75 Ca -0.05 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 1nw2 s LEU 75 Cb -0.07 -1.48 0.01 0.00 0.03 0.00 0.00 46.19 44.69 1nw2 s LEU 75 CO -0.03 0.29 -0.14 -0.63 0.23 0.00 0.00 176.35 176.07 1nw2 s ILE 76 N -0.43 1.32 -0.23 -0.59 1.01 -0.54 0.17 121.20 121.91 1nw2 s ILE 76 Ca 0.05 -0.58 -0.14 0.00 0.00 0.00 0.00 60.65 59.98 1nw2 s ILE 76 Cb -0.12 -1.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 1nw2 s ILE 76 CO 0.02 0.40 0.31 -0.22 0.00 0.00 0.00 174.94 175.45 1nw2 s LEU 77 N 0.67 4.12 -0.17 2.97 2.96 -0.46 -0.99 118.68 127.79 1nw2 s LEU 77 Ca -0.14 0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 54.04 1nw2 s LEU 77 Cb -0.16 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 1nw2 s LEU 77 CO 0.04 -0.05 0.04 -0.36 -1.32 0.00 0.00 176.35 174.69 1nw2 s PHE 78 N 1.37 3.20 -0.05 5.38 0.40 0.23 0.27 117.98 128.78 1nw2 s PHE 78 Ca 0.14 0.00 -0.00 0.00 -0.60 0.00 0.00 56.93 56.47 1nw2 s PHE 78 Cb -0.15 -2.03 0.03 0.00 0.51 0.00 0.00 43.02 41.38 1nw2 s PHE 78 CO 0.07 0.14 -0.01 0.21 0.70 0.00 0.00 175.22 176.33 1nw2 s LYS 79 N 0.26 0.57 -1.35 0.44 2.20 -0.23 -1.20 119.74 120.43 1nw2 s LYS 79 Ca 0.02 0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 1nw2 s LYS 79 Cb -0.13 -0.80 0.00 0.00 -1.51 0.00 0.00 37.83 35.39 1nw2 s LYS 79 CO 0.01 -0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 1nw2 n GLY 80 N 4.61 0.40 2.30 5.54 0.00 -1.26 -2.17 105.19 114.60 1nw2 n GLY 80 Ca -0.16 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.08 0.60 3.26 -0.02 0.00 -1.22 -5.03 105.19 101.70 1nw2 n GLY 81 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.08 1.50 -0.09 1.61 0.41 -0.92 -5.01 118.70 116.11 1nw2 s GLU 82 Ca 0.00 -0.94 -0.30 0.00 -0.41 0.00 0.00 54.97 53.32 1nw2 s GLU 82 Cb 0.00 -1.60 -0.04 0.00 -1.78 0.00 0.00 34.13 30.71 1nw2 s GLU 82 CO 0.00 0.41 1.46 -1.25 -0.49 0.00 0.00 175.26 175.39 1nw2 s PRO 83 N -1.09 4.22 0.00 0.39 0.04 -1.26 -1.07 135.00 136.23 1nw2 s PRO 83 Ca 0.08 1.95 0.07 0.00 0.04 0.00 0.00 61.00 63.13 1nw2 s PRO 83 Cb -0.09 -3.84 -0.02 0.00 0.04 0.00 0.00 34.50 30.59 1nw2 s PRO 83 CO 0.01 -0.75 0.43 1.33 0.04 0.00 0.00 177.00 178.06 1nw2 n VAL 84 N 5.31 0.00 -3.75 -0.36 0.24 0.14 -4.95 118.33 114.96 1nw2 n VAL 84 Ca 0.15 -0.40 -0.13 0.00 -2.04 0.00 0.00 64.34 61.92 1nw2 n VAL 84 Cb 0.44 1.05 -0.10 0.00 -1.47 0.00 0.00 33.84 33.76 1nw2 n VAL 84 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1nw2 s LYS 85 N -1.24 0.54 -0.28 7.34 -0.14 -1.15 -4.95 119.74 119.85 1nw2 s LYS 85 Ca 0.04 0.16 -0.03 0.00 -1.36 0.00 0.00 55.97 54.79 1nw2 s LYS 85 Cb 0.05 0.25 0.09 0.00 -1.68 0.00 0.00 37.83 36.54 1nw2 s LYS 85 CO 0.20 -0.12 0.11 -1.14 -0.76 0.00 0.00 175.35 173.64 1nw2 s GLN 86 N -0.55 0.41 -0.27 1.68 0.74 -1.26 -1.35 119.66 119.05 1nw2 s GLN 86 Ca -0.07 -0.67 -0.17 0.00 0.05 0.00 0.00 55.36 54.51 1nw2 s GLN 86 Cb -0.04 -1.59 -0.03 0.00 1.10 0.00 0.00 33.01 32.45 1nw2 s GLN 86 CO 0.02 -0.94 0.46 -0.51 -0.55 0.00 0.00 175.29 173.78 1nw2 s LEU 87 N 1.91 4.07 -0.22 3.68 1.43 0.13 -4.93 118.68 124.74 1nw2 s LEU 87 Ca 0.08 0.40 -0.14 0.00 -1.03 0.00 0.00 54.13 53.44 1nw2 s LEU 87 Cb -0.17 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 1nw2 s LEU 87 CO -0.28 -0.26 0.30 -0.63 0.23 0.00 0.00 176.35 175.71 1nw2 s ILE 88 N 2.23 5.26 0.00 -0.59 -1.09 -1.26 -0.59 121.20 125.16 1nw2 s ILE 88 Ca 0.19 0.48 0.00 0.00 -2.23 0.00 0.00 60.65 59.09 1nw2 s ILE 88 Cb -0.16 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.09 1nw2 s ILE 88 CO 0.10 0.29 0.00 0.61 -1.23 0.00 0.00 174.94 174.70 1nw2 n GLY 89 N 4.11 -2.16 3.69 6.18 0.00 -0.05 -4.90 105.19 112.06 1nw2 n GLY 89 Ca -0.11 -1.50 -0.44 0.00 0.00 0.00 0.00 46.02 43.97 1nw2 n GLY 89 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1nw2 n TYR 90 N -0.22 2.34 -4.03 1.61 4.19 -1.26 -4.79 117.16 114.99 1nw2 n TYR 90 Ca 0.00 0.39 -0.31 0.00 3.31 0.00 0.00 57.90 61.28 1nw2 n TYR 90 Cb 0.00 -2.49 -0.15 0.00 0.49 0.00 0.00 39.34 37.18 1nw2 n TYR 90 CO 0.00 0.00 0.00 -0.65 0.91 0.00 0.00 176.86 177.12 1nw2 s GLN 91 N -0.43 2.08 0.85 2.98 -1.52 -1.26 -5.10 119.66 117.26 1nw2 s GLN 91 Ca 0.67 -1.19 -0.11 0.00 -1.95 0.00 0.00 55.36 52.78 1nw2 s GLN 91 Cb -0.61 -2.76 0.10 0.00 -0.22 0.00 0.00 33.01 29.53 1nw2 s GLN 91 CO 0.49 -0.55 1.10 -2.14 -0.25 0.00 0.00 175.29 173.94 1nw2 s PRO 92 N 1.21 1.60 0.25 2.91 0.02 -1.26 -4.74 135.00 135.00 1nw2 s PRO 92 Ca -0.07 1.13 -0.06 0.00 0.02 0.00 0.00 61.00 62.02 1nw2 s PRO 92 Cb -0.19 -1.82 0.47 0.00 0.02 0.00 0.00 34.50 32.97 1nw2 s PRO 92 CO -0.06 -2.09 1.62 -0.22 -0.33 0.00 0.00 177.00 175.92 1nw2 h LYS 93 N -1.45 0.08 0.00 5.54 3.64 -1.99 -0.22 116.57 122.16 1nw2 h LYS 93 Ca -0.46 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.87 1nw2 h LYS 93 Cb 1.26 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1nw2 h LYS 93 CO 0.50 0.05 -0.20 0.93 -2.27 0.00 0.00 179.45 178.46 1nw2 h GLU 94 N 0.08 0.00 0.14 1.90 3.07 -2.00 -2.38 114.58 115.39 1nw2 h GLU 94 Ca 0.44 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 59.02 1nw2 h GLU 94 Cb 0.78 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.70 1nw2 h GLU 94 CO -0.72 0.20 -1.27 1.96 -1.40 0.00 0.00 179.01 177.79 1nw2 h GLN 95 N 0.00 0.29 -0.52 2.33 1.08 -1.40 -1.32 115.11 115.57 1nw2 h GLN 95 Ca -0.00 -0.49 -0.02 0.00 -1.45 0.00 0.00 58.65 56.69 1nw2 h GLN 95 Cb 0.40 0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.99 1nw2 h GLN 95 CO 0.03 1.23 0.24 -0.07 -0.95 0.00 0.00 178.83 179.31 1nw2 h LEU 96 N 0.08 0.69 0.46 1.46 3.38 -1.18 0.15 115.31 120.35 1nw2 h LEU 96 Ca -0.14 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1nw2 h LEU 96 Cb 1.99 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.56 1nw2 h LEU 96 CO 0.21 0.64 -0.22 -0.08 0.09 0.00 0.00 178.44 179.07 1nw2 h GLU 97 N 0.69 -0.60 -0.07 1.13 4.57 -1.45 -1.45 114.58 117.40 1nw2 h GLU 97 Ca 0.18 0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.41 1nw2 h GLU 97 Cb 0.14 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1nw2 h GLU 97 CO -0.02 -0.35 0.01 0.00 -1.18 0.00 0.00 179.01 177.46 1nw2 h ALA 98 N -0.21 0.06 -0.04 2.92 0.00 -1.11 -2.16 119.26 118.72 1nw2 h ALA 98 Ca -0.06 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1nw2 h ALA 98 Cb 0.52 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1nw2 h ALA 98 CO 0.10 -0.47 -0.34 1.96 0.00 0.00 0.00 179.25 180.51 1nw2 h GLN 99 N 0.03 0.08 -0.01 0.00 1.08 -0.71 -3.32 115.11 112.26 1nw2 h GLN 99 Ca 0.03 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1nw2 h GLN 99 Cb 0.03 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1nw2 h GLN 99 CO -0.05 0.41 -0.49 1.28 -0.95 0.00 0.00 178.83 179.03 1nw2 n LEU 100 N -4.12 1.25 -0.09 1.46 4.77 -0.55 -4.65 117.00 115.06 1nw2 n LEU 100 Ca -0.02 -0.66 -0.08 0.00 -0.03 0.00 0.00 56.01 55.23 1nw2 n LEU 100 Cb 0.39 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1nw2 n LEU 100 CO 0.39 0.26 0.96 0.00 -1.33 0.00 0.00 177.39 177.67 1nw2 h ALA 101 N 2.52 0.39 -0.60 -1.18 0.00 -1.48 -2.15 119.26 116.75 1nw2 h ALA 101 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1nw2 h ALA 101 Cb 0.47 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1nw2 h ALA 101 CO 0.00 -0.22 0.39 -0.44 0.00 0.00 0.00 179.25 178.98 1nw2 h ASP 102 N 0.32 0.69 1.34 0.00 3.32 -1.82 -2.74 116.42 117.53 1nw2 h ASP 102 Ca 0.14 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1nw2 h ASP 102 Cb 0.05 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1nw2 h ASP 102 CO -0.10 0.50 0.00 -0.37 -1.72 0.00 0.00 179.24 177.55 1nw2 h VAL 103 N 0.81 0.00 -0.41 -1.35 -1.51 -1.83 -3.14 116.25 108.82 1nw2 h VAL 103 Ca 0.22 -0.58 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 1nw2 h VAL 103 Cb -0.09 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1nw2 h VAL 103 CO -0.05 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.47 1nw2 n LEU 104 N -2.73 3.34 0.00 4.19 4.77 -0.82 -5.06 117.00 120.69 1nw2 n LEU 104 Ca 0.03 -1.61 0.00 0.00 -0.03 0.00 0.00 56.01 54.40 1nw2 n LEU 104 Cb 0.38 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1nw2 n LEU 104 CO 0.28 0.75 0.00 0.00 -1.33 0.00 0.00 177.39 177.09