#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 -0.13 0.44 0.00 -4.23 -1.26 -4.53 115.64 105.93 1nw2 s THR 2 Ca 0.00 0.05 -0.21 0.00 -1.18 0.00 0.00 61.69 60.35 1nw2 s THR 2 Cb 0.00 -0.44 -0.11 0.00 1.34 0.00 0.00 72.50 73.29 1nw2 s THR 2 CO 0.00 -0.11 0.96 0.00 -0.54 0.00 0.00 174.62 174.93 1nw2 s MET 3 N 2.18 4.18 -0.22 3.99 0.23 -0.89 -4.84 119.30 123.92 1nw2 s MET 3 Ca 0.03 1.13 -0.12 0.00 -1.03 0.00 0.00 55.69 55.70 1nw2 s MET 3 Cb -0.15 -2.17 -0.05 0.00 -1.53 0.00 0.00 34.83 30.94 1nw2 s MET 3 CO -0.07 -0.07 0.24 0.99 -2.03 0.00 0.00 175.02 174.07 1nw2 s THR 4 N -2.19 5.31 0.16 3.16 2.01 -1.26 -0.90 115.64 121.93 1nw2 s THR 4 Ca 0.62 0.36 0.06 0.00 0.31 0.00 0.00 61.69 63.05 1nw2 s THR 4 Cb -0.10 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1nw2 s THR 4 CO 0.15 0.32 0.04 -0.76 -0.69 0.00 0.00 174.62 173.67 1nw2 s LEU 5 N 1.10 3.47 0.23 4.42 1.43 0.57 -4.93 118.68 124.98 1nw2 s LEU 5 Ca 0.12 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 1nw2 s LEU 5 Cb -0.14 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 43.91 1nw2 s LEU 5 CO 0.05 0.10 0.10 0.42 0.23 0.00 0.00 176.35 177.25 1nw2 s THR 6 N -1.68 0.35 0.44 5.49 -4.23 -1.26 -4.38 115.64 110.37 1nw2 s THR 6 Ca 0.28 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.93 1nw2 s THR 6 Cb -0.10 -2.55 0.32 0.00 1.34 0.00 0.00 72.50 71.51 1nw2 s THR 6 CO 0.20 -0.03 2.00 0.44 -0.54 0.00 0.00 174.62 176.69 1nw2 h ASP 7 N 2.49 0.34 0.41 3.99 3.32 -1.90 0.49 116.42 125.56 1nw2 h ASP 7 Ca -0.37 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.53 1nw2 h ASP 7 Cb 1.25 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 1nw2 h ASP 7 CO 0.58 0.22 -0.62 0.00 -1.72 0.00 0.00 179.24 177.69 1nw2 h ALA 8 N 1.72 0.84 -0.05 3.45 0.00 -1.99 -3.33 119.26 119.90 1nw2 h ALA 8 Ca 0.24 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1nw2 h ALA 8 Cb 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1nw2 h ALA 8 CO -0.06 0.75 0.00 0.27 0.00 0.00 0.00 179.25 180.21 1nw2 n ASN 9 N -3.85 1.76 0.17 0.00 0.23 -0.89 -4.79 115.26 107.90 1nw2 n ASN 9 Ca -0.02 -1.44 -0.15 0.00 -0.53 0.00 0.00 54.58 52.44 1nw2 n ASN 9 Cb 0.63 -0.03 -0.07 0.00 -2.08 0.00 0.00 39.78 38.23 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 1.20 -0.98 -0.74 -2.53 3.57 -1.03 -2.54 116.94 113.89 1nw2 h PHE 10 Ca 0.00 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.64 1nw2 h PHE 10 Cb 0.35 0.40 -0.09 0.00 2.79 0.00 0.00 35.95 39.40 1nw2 h PHE 10 CO 0.03 -0.48 0.33 1.96 -2.23 0.00 0.00 178.31 177.91 1nw2 h GLN 11 N -0.67 0.49 -0.87 1.11 1.08 -1.86 -1.29 115.11 113.10 1nw2 h GLN 11 Ca -0.00 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 1nw2 h GLN 11 Cb 0.64 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.92 1nw2 h GLN 11 CO -0.13 0.32 0.45 0.37 -0.95 0.00 0.00 178.83 178.89 1nw2 h GLN 12 N 0.51 1.24 0.00 1.46 4.15 -1.88 -2.32 115.11 118.27 1nw2 h GLN 12 Ca 0.39 -0.17 -0.04 0.00 0.77 0.00 0.00 58.65 59.61 1nw2 h GLN 12 Cb 0.54 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 1nw2 h GLN 12 CO -0.35 0.93 -0.18 0.00 -1.93 0.00 0.00 178.83 177.30 1nw2 h ALA 13 N 1.24 1.58 -0.03 3.38 0.00 -0.81 -2.87 119.26 121.77 1nw2 h ALA 13 Ca 0.30 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1nw2 h ALA 13 Cb 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1nw2 h ALA 13 CO -0.04 0.22 -0.09 0.44 0.00 0.00 0.00 179.25 179.78 1nw2 n ILE 14 N -4.15 0.00 -0.10 0.00 -5.35 -1.02 -4.63 119.36 104.11 1nw2 n ILE 14 Ca -0.02 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 1nw2 n ILE 14 Cb 0.25 1.43 0.00 0.00 -1.74 0.00 0.00 39.64 39.58 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 1.02 0.95 -4.29 6.28 1.13 -0.90 -3.05 117.38 118.52 1nw2 n GLN 15 Ca 0.12 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 55.03 1nw2 n GLN 15 Cb 0.55 -1.03 -0.10 0.00 0.11 0.00 0.00 30.24 29.77 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 1.74 1.72 0.31 1.08 0.00 -1.26 -4.95 107.32 105.96 1nw2 s GLY 16 Ca 0.00 -1.80 0.13 0.00 0.00 0.00 0.00 44.72 43.05 1nw2 s GLY 16 CO 0.00 -1.53 1.66 -0.55 0.00 0.00 0.00 173.10 172.67 1nw2 h ASP 17 N 2.42 0.00 -3.14 1.64 3.32 -1.97 -3.29 116.42 115.39 1nw2 h ASP 17 Ca -0.37 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.14 1nw2 h ASP 17 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1nw2 h ASP 17 CO 0.57 0.53 0.63 -0.75 -1.72 0.00 0.00 179.24 178.49 1nw2 s LYS 18 N -3.61 4.39 0.50 3.56 2.20 -1.26 -4.63 119.74 120.89 1nw2 s LYS 18 Ca -0.01 1.69 -0.24 0.00 -0.36 0.00 0.00 55.97 57.06 1nw2 s LYS 18 Cb 0.12 -3.48 -0.07 0.00 -1.51 0.00 0.00 37.83 32.90 1nw2 s LYS 18 CO 0.73 -0.35 1.39 -2.30 -0.36 0.00 0.00 175.35 174.46 1nw2 n PRO 19 N 4.66 1.97 -4.62 4.03 -0.02 -1.26 -4.84 135.00 134.92 1nw2 n PRO 19 Ca 0.10 0.71 -0.26 0.00 -2.02 0.00 0.00 63.50 62.02 1nw2 n PRO 19 Cb 0.47 -2.59 -0.17 0.00 -0.02 0.00 0.00 33.50 31.19 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 -1.24 1.32 -0.27 -1.45 1.01 -0.81 -0.75 120.40 118.21 1nw2 s VAL 20 Ca 0.66 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.99 1nw2 s VAL 20 Cb -0.44 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 1nw2 s VAL 20 CO 0.53 0.40 0.10 -0.22 0.00 0.00 0.00 175.10 175.91 1nw2 s LEU 21 N 0.72 3.70 -0.27 3.92 2.96 0.43 0.17 118.68 130.31 1nw2 s LEU 21 Ca -0.13 -0.35 -0.07 0.00 -0.22 0.00 0.00 54.13 53.36 1nw2 s LEU 21 Cb -0.16 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 1nw2 s LEU 21 CO 0.03 -0.10 0.06 -0.69 -1.32 0.00 0.00 176.35 174.34 1nw2 s VAL 22 N 1.61 4.02 -0.41 1.68 1.01 0.16 -0.37 120.40 128.09 1nw2 s VAL 22 Ca 0.05 -0.49 -0.23 0.00 0.00 0.00 0.00 61.98 61.31 1nw2 s VAL 22 Cb -0.16 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.26 1nw2 s VAL 22 CO 0.04 0.20 0.80 -0.62 0.00 0.00 0.00 175.10 175.53 1nw2 s ASP 23 N 1.54 6.48 -0.43 3.32 2.15 0.79 -1.64 116.67 128.88 1nw2 s ASP 23 Ca 0.04 0.12 -0.23 0.00 0.43 0.00 0.00 52.55 52.91 1nw2 s ASP 23 Cb -0.16 -2.40 0.02 0.00 -0.30 0.00 0.00 42.92 40.08 1nw2 s ASP 23 CO 0.02 -0.85 0.78 -0.36 -0.17 0.00 0.00 175.17 174.60 1nw2 s PHE 24 N 3.25 3.02 0.30 -5.34 0.40 0.36 -0.91 117.98 119.06 1nw2 s PHE 24 Ca 0.31 0.26 0.03 0.00 -0.60 0.00 0.00 56.93 56.93 1nw2 s PHE 24 Cb -0.12 -3.59 -0.05 0.00 0.51 0.00 0.00 43.02 39.76 1nw2 s PHE 24 CO 0.20 -0.92 0.09 1.67 0.70 0.00 0.00 175.22 176.97 1nw2 s TRP 25 N 3.24 1.72 0.04 0.36 1.48 -0.74 -2.72 118.94 122.32 1nw2 s TRP 25 Ca 0.30 -1.13 -0.04 0.00 -1.06 0.00 0.00 56.10 54.18 1nw2 s TRP 25 Cb -0.12 -1.06 -0.02 0.00 -1.16 0.00 0.00 33.47 31.11 1nw2 s TRP 25 CO 0.21 -0.23 0.05 0.00 -4.06 0.00 0.00 176.95 172.92 1nw2 s ALA 26 N -3.52 0.10 0.33 2.67 0.00 -1.26 -0.83 121.76 119.25 1nw2 s ALA 26 Ca 0.36 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.63 1nw2 s ALA 26 Cb 0.07 0.24 0.62 0.00 0.00 0.00 0.00 23.12 24.05 1nw2 s ALA 26 CO 0.15 -0.31 1.95 0.00 0.00 0.00 0.00 175.76 177.55 1nw2 h ALA 27 N 3.69 1.58 0.00 0.00 0.00 -2.00 -1.84 119.26 120.69 1nw2 h ALA 27 Ca -0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1nw2 h ALA 27 Cb 1.18 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1nw2 h ALA 27 CO 0.52 0.31 0.00 -2.67 0.00 0.00 0.00 179.25 177.41 1nw2 n TRP 28 N -4.47 0.00 -3.03 0.00 4.27 -1.26 -4.74 117.44 108.21 1nw2 n TRP 28 Ca 0.11 0.00 -0.44 0.00 -3.89 0.00 0.00 57.50 53.29 1nw2 n TRP 28 Cb 0.18 -0.13 -0.05 0.00 -1.36 0.00 0.00 31.31 29.95 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 10.34 -0.70 -0.35 0.00 0.00 -1.87 -2.75 103.07 107.73 1nw2 h GLY 30 Ca -0.28 0.39 0.20 0.00 0.00 0.00 0.00 47.33 47.63 1nw2 h GLY 30 CO 1.08 -0.27 0.14 -2.55 0.00 0.00 0.00 176.54 174.94 1nw2 h PRO 31 N -0.63 0.18 -0.98 4.80 0.11 -1.94 0.54 132.00 134.07 1nw2 h PRO 31 Ca 0.00 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 66.25 1nw2 h PRO 31 Cb 0.61 -0.04 -0.09 0.00 0.11 0.00 0.00 31.00 31.59 1nw2 h PRO 31 CO -0.12 0.12 0.62 0.00 -0.21 0.00 0.00 178.00 178.40 1nw2 h ARG 33 N 0.84 0.84 -0.02 0.00 2.43 -0.79 -1.33 114.38 116.35 1nw2 h ARG 33 Ca 0.52 -0.28 -0.05 0.00 -0.81 0.00 0.00 59.98 59.36 1nw2 h ARG 33 Cb 0.70 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1nw2 h ARG 33 CO -0.29 0.90 -0.25 1.98 -1.51 0.00 0.00 179.97 180.80 1nw2 h MET 34 N 0.69 0.03 0.00 0.20 4.05 -0.93 -3.07 114.93 115.90 1nw2 h MET 34 Ca 0.13 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.49 1nw2 h MET 34 Cb 0.53 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.32 1nw2 h MET 34 CO 0.03 0.28 -0.82 1.98 0.23 0.00 0.00 176.91 178.60 1nw2 h MET 35 N 0.02 0.00 -0.63 0.39 1.85 -0.85 -3.38 114.93 112.33 1nw2 h MET 35 Ca 0.00 0.00 0.13 0.00 -0.61 0.00 0.00 59.70 59.22 1nw2 h MET 35 Cb 0.46 0.00 -0.11 0.00 0.43 0.00 0.00 31.60 32.38 1nw2 h MET 35 CO 0.03 0.13 -0.05 0.00 -0.40 0.00 0.00 176.91 176.62 1nw2 h ALA 36 N 1.81 0.56 -0.01 0.39 0.00 -1.14 0.14 119.26 121.01 1nw2 h ALA 36 Ca -0.04 0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1nw2 h ALA 36 Cb 1.18 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1nw2 h ALA 36 CO 0.02 -0.41 -0.32 -1.00 0.00 0.00 0.00 179.25 177.54 1nw2 h PRO 37 N 0.07 0.01 -0.28 0.00 0.13 -1.76 -0.10 132.00 130.08 1nw2 h PRO 37 Ca 0.32 -0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.28 1nw2 h PRO 37 Cb 0.52 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 1nw2 h PRO 37 CO -0.58 0.33 -0.50 0.28 -0.23 0.00 0.00 178.00 177.31 1nw2 h VAL 38 N 0.01 1.28 -0.62 1.56 2.07 -1.20 -2.63 116.25 116.72 1nw2 h VAL 38 Ca -0.00 -1.68 -0.08 0.00 0.82 0.00 0.00 66.70 65.75 1nw2 h VAL 38 Cb 0.57 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 1nw2 h VAL 38 CO 0.04 0.55 0.05 0.25 0.02 0.00 0.00 177.57 178.48 1nw2 h LEU 39 N 0.61 1.01 -0.57 2.57 5.85 -0.50 -2.19 115.31 122.08 1nw2 h LEU 39 Ca 0.02 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 1nw2 h LEU 39 Cb 1.10 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 1nw2 h LEU 39 CO 0.11 1.03 0.23 -0.08 -0.34 0.00 0.00 178.44 179.39 1nw2 h GLU 40 N 0.97 0.86 -0.56 1.25 4.81 -0.91 0.36 114.58 121.35 1nw2 h GLU 40 Ca 0.18 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 1nw2 h GLU 40 Cb 0.49 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1nw2 h GLU 40 CO 0.02 0.74 -0.06 1.49 -0.73 0.00 0.00 179.01 180.47 1nw2 h GLU 41 N 0.79 1.03 -0.32 1.92 4.81 -1.42 -2.43 114.58 118.95 1nw2 h GLU 41 Ca 0.19 -0.36 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1nw2 h GLU 41 Cb 0.21 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1nw2 h GLU 41 CO -0.01 1.05 0.19 0.35 -0.73 0.00 0.00 179.01 179.85 1nw2 h PHE 42 N 0.91 0.44 0.02 0.92 3.57 -1.03 -1.31 116.94 120.46 1nw2 h PHE 42 Ca 0.15 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1nw2 h PHE 42 Cb 0.63 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1nw2 h PHE 42 CO 0.04 0.33 -0.10 0.00 -2.23 0.00 0.00 178.31 176.35 1nw2 h ALA 43 N 1.06 -0.13 -0.87 2.41 0.00 -0.81 -1.57 119.26 119.35 1nw2 h ALA 43 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1nw2 h ALA 43 Cb 0.03 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1nw2 h ALA 43 CO -0.02 -0.60 0.53 0.93 0.00 0.00 0.00 179.25 180.09 1nw2 h GLU 44 N -0.19 0.91 0.00 0.00 5.08 -1.27 0.28 114.58 119.39 1nw2 h GLU 44 Ca 0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1nw2 h GLU 44 Cb 0.22 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1nw2 h GLU 44 CO -0.09 0.60 0.00 0.00 -1.00 0.00 0.00 179.01 178.52 1nw2 n ALA 45 N -2.36 2.24 -1.87 3.43 0.00 -0.51 -3.89 120.51 117.54 1nw2 n ALA 45 Ca 0.14 -0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.55 1nw2 n ALA 45 Cb 0.22 -1.45 0.06 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.84 0.00 -0.10 0.00 8.25 -0.62 -4.84 115.22 116.07 1nw2 n HIS 46 Ca 0.06 -0.47 0.25 0.00 -0.26 0.00 0.00 57.72 57.30 1nw2 n HIS 46 Cb 0.36 -0.11 0.71 0.00 1.12 0.00 0.00 29.99 32.07 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 0.32 2.68 0.00 -1.41 0.00 -1.07 0.15 119.26 119.93 1nw2 h ALA 47 Ca -0.05 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1nw2 h ALA 47 Cb 1.38 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1nw2 h ALA 47 CO 0.02 -0.92 -0.32 0.38 0.00 0.00 0.00 179.25 178.41 1nw2 h ASP 48 N 0.00 0.00 0.00 0.00 2.03 -1.88 -3.32 116.42 113.25 1nw2 h ASP 48 Ca 0.35 0.00 -0.33 0.00 -0.73 0.00 0.00 57.03 56.32 1nw2 h ASP 48 Cb 1.43 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.87 1nw2 h ASP 48 CO -0.00 0.32 -2.23 0.29 -1.03 0.00 0.00 179.24 176.59 1nw2 n LYS 49 N -3.49 0.97 -3.82 4.15 4.76 0.39 -5.03 118.16 116.09 1nw2 n LYS 49 Ca -0.00 0.03 -0.12 0.00 -2.87 0.00 0.00 58.31 55.35 1nw2 n LYS 49 Cb 0.48 -1.45 -0.10 0.00 -1.84 0.00 0.00 35.03 32.12 1nw2 n LYS 49 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1nw2 s VAL 50 N -2.43 0.05 -0.15 -0.18 0.11 -0.34 -4.17 120.40 113.29 1nw2 s VAL 50 Ca -0.15 -0.45 -0.14 0.00 -2.93 0.00 0.00 61.98 58.31 1nw2 s VAL 50 Cb 0.06 -0.46 -0.05 0.00 -1.53 0.00 0.00 36.38 34.40 1nw2 s VAL 50 CO 0.66 -0.25 0.31 -0.89 -3.33 0.00 0.00 175.10 171.61 1nw2 s THR 51 N -0.98 5.29 -0.14 5.04 2.01 0.07 -4.13 115.64 122.79 1nw2 s THR 51 Ca -0.11 0.59 -0.04 0.00 0.31 0.00 0.00 61.69 62.45 1nw2 s THR 51 Cb -0.05 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1nw2 s THR 51 CO 0.02 0.38 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.64 1nw2 s VAL 52 N 0.46 4.18 0.12 3.82 1.01 -1.26 -0.43 120.40 128.30 1nw2 s VAL 52 Ca 0.18 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1nw2 s VAL 52 Cb -0.13 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1nw2 s VAL 52 CO 0.05 0.52 -0.05 0.00 0.00 0.00 0.00 175.10 175.61 1nw2 s ALA 53 N 0.04 1.10 0.04 5.51 0.00 0.50 -2.09 121.76 126.86 1nw2 s ALA 53 Ca 0.02 -1.41 0.07 0.00 0.00 0.00 0.00 51.96 50.63 1nw2 s ALA 53 Cb -0.13 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 1nw2 s ALA 53 CO 0.02 -0.24 -0.20 0.15 0.00 0.00 0.00 175.76 175.49 1nw2 s LYS 54 N -3.84 1.40 -0.08 0.00 1.02 -0.08 -0.15 119.74 118.01 1nw2 s LYS 54 Ca 0.15 -0.90 0.00 0.00 0.02 0.00 0.00 55.97 55.24 1nw2 s LYS 54 Cb 0.05 -1.49 0.02 0.00 -0.52 0.00 0.00 37.83 35.90 1nw2 s LYS 54 CO -0.02 0.38 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.56 1nw2 s LEU 55 N -1.08 1.12 -0.39 3.17 2.96 -0.09 -0.32 118.68 124.05 1nw2 s LEU 55 Ca 0.07 -0.21 -0.23 0.00 -0.22 0.00 0.00 54.13 53.54 1nw2 s LEU 55 Cb -0.09 -0.66 0.02 0.00 0.50 0.00 0.00 46.19 45.96 1nw2 s LEU 55 CO 0.01 -0.10 0.80 0.21 -1.32 0.00 0.00 176.35 175.95 1nw2 s ASN 56 N 1.47 6.52 0.43 3.68 3.84 -1.26 -1.80 114.94 127.82 1nw2 s ASN 56 Ca -0.01 0.22 0.13 0.00 0.21 0.00 0.00 52.86 53.41 1nw2 s ASN 56 Cb -0.13 -2.40 0.92 0.00 -0.55 0.00 0.00 41.25 39.09 1nw2 s ASN 56 CO -0.04 -0.81 1.96 -0.37 -2.79 0.00 0.00 177.10 175.05 1nw2 h VAL 57 N 5.84 1.15 -0.78 -5.21 -1.51 -1.28 -1.89 116.25 112.58 1nw2 h VAL 57 Ca -0.25 -0.68 0.01 0.00 -1.23 0.00 0.00 66.70 64.55 1nw2 h VAL 57 Cb 1.09 1.29 -0.04 0.00 -2.13 0.00 0.00 31.29 31.50 1nw2 h VAL 57 CO 0.94 0.20 0.52 0.44 -1.23 0.00 0.00 177.57 178.43 1nw2 h ASP 58 N 0.08 0.89 0.06 4.19 3.32 -1.92 -2.98 116.42 120.06 1nw2 h ASP 58 Ca 0.02 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1nw2 h ASP 58 Cb 0.34 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1nw2 h ASP 58 CO 0.02 0.64 -0.80 -0.62 -1.72 0.00 0.00 179.24 176.76 1nw2 n GLU 59 N -4.42 0.31 -3.33 3.56 -0.58 -1.03 -4.66 120.64 110.48 1nw2 n GLU 59 Ca 0.09 -0.25 -0.26 0.00 -0.42 0.00 0.00 57.16 56.32 1nw2 n GLU 59 Cb 0.04 -1.49 -0.08 0.00 -0.57 0.00 0.00 31.44 29.34 1nw2 n GLU 59 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1nw2 n ASN 60 N -1.13 1.64 0.23 1.62 3.02 -0.74 -4.85 115.26 115.05 1nw2 n ASN 60 Ca 0.06 -2.98 0.10 0.00 -0.03 0.00 0.00 54.58 51.72 1nw2 n ASN 60 Cb 0.36 -0.65 0.51 0.00 -0.61 0.00 0.00 39.78 39.40 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 4.26 0.00 0.87 3.52 0.13 -1.83 -3.02 132.00 135.93 1nw2 h PRO 61 Ca 0.14 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.22 1nw2 h PRO 61 Cb 0.79 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.93 1nw2 h PRO 61 CO 0.61 0.23 -0.42 0.93 -0.23 0.00 0.00 178.00 179.12 1nw2 h GLU 62 N 0.00 -1.13 -0.82 0.86 5.08 -1.93 -0.13 114.58 116.51 1nw2 h GLU 62 Ca -0.00 0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1nw2 h GLU 62 Cb 0.64 0.26 -0.04 0.00 0.50 0.00 0.00 28.75 30.11 1nw2 h GLU 62 CO 0.03 -0.75 0.38 1.15 -1.00 0.00 0.00 179.01 178.82 1nw2 h THR 63 N -1.30 1.26 -0.61 1.13 2.02 -1.93 -0.71 112.91 112.77 1nw2 h THR 63 Ca -0.12 -0.73 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 1nw2 h THR 63 Cb 0.90 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1nw2 h THR 63 CO 0.20 0.31 0.37 0.74 0.37 0.00 0.00 175.52 177.51 1nw2 h THR 64 N 1.16 1.17 -0.41 3.16 2.02 -1.52 -2.36 112.91 116.14 1nw2 h THR 64 Ca 0.28 -0.38 -0.14 0.00 0.77 0.00 0.00 66.41 66.94 1nw2 h THR 64 Cb 0.13 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1nw2 h THR 64 CO -0.03 0.18 -0.29 0.77 0.37 0.00 0.00 175.52 176.51 1nw2 h SER 65 N 0.82 0.96 -0.85 4.18 4.64 -0.70 -2.93 113.55 119.68 1nw2 h SER 65 Ca 0.22 -0.44 0.20 0.00 -0.47 0.00 0.00 61.79 61.30 1nw2 h SER 65 Cb -0.04 -0.27 -0.12 0.00 -0.31 0.00 0.00 62.40 61.67 1nw2 h SER 65 CO -0.04 1.19 0.33 1.56 -0.87 0.00 0.00 176.83 179.00 1nw2 h GLN 66 N 0.74 0.37 -0.45 4.77 4.20 -0.64 -0.30 115.11 123.80 1nw2 h GLN 66 Ca 0.08 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1nw2 h GLN 66 Cb 0.88 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.57 1nw2 h GLN 66 CO 0.08 0.24 0.00 1.19 -0.67 0.00 0.00 178.83 179.67 1nw2 n PHE 67 N -5.06 0.59 -2.88 2.96 3.72 -0.93 -4.96 117.46 110.89 1nw2 n PHE 67 Ca 0.19 -0.30 -0.20 0.00 -0.05 0.00 0.00 57.45 57.10 1nw2 n PHE 67 Cb 0.58 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.15 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 1.28 -0.37 3.70 1.37 0.00 -0.13 -4.95 105.19 106.10 1nw2 n GLY 68 Ca 0.17 0.01 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 1nw2 n GLY 68 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nw2 n ILE 69 N -4.34 0.48 -0.02 -0.61 2.08 -1.11 -4.89 119.36 110.95 1nw2 n ILE 69 Ca -0.11 -0.12 -0.02 0.00 0.56 0.00 0.00 62.75 63.06 1nw2 n ILE 69 Cb 0.61 -1.74 -0.02 0.00 -0.75 0.00 0.00 39.64 37.74 1nw2 n ILE 69 CO 0.00 0.00 0.00 0.23 0.56 0.00 0.00 176.55 177.34 1nw2 n MET 70 N 2.91 1.64 -4.22 0.38 2.81 -1.26 -4.96 117.12 114.42 1nw2 n MET 70 Ca 0.13 0.01 -0.13 0.00 -1.81 0.00 0.00 57.70 55.90 1nw2 n MET 70 Cb 0.33 -1.08 -0.10 0.00 -0.71 0.00 0.00 33.22 31.66 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 -3.94 1.59 -0.10 7.83 1.04 -1.26 -5.16 113.70 113.71 1nw2 s SER 71 Ca -0.04 -1.00 0.03 0.00 0.48 0.00 0.00 55.95 55.43 1nw2 s SER 71 Cb 0.01 0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.16 1nw2 s SER 71 CO 0.11 -0.36 -0.20 -0.63 0.98 0.00 0.00 173.24 173.14 1nw2 s ILE 72 N -3.34 1.79 0.24 -1.02 -1.09 -1.26 -3.76 121.20 112.75 1nw2 s ILE 72 Ca 0.15 -0.85 -0.30 0.00 -2.23 0.00 0.00 60.65 57.42 1nw2 s ILE 72 Cb 0.03 -1.58 -0.09 0.00 -1.58 0.00 0.00 42.46 39.24 1nw2 s ILE 72 CO -0.01 0.50 1.31 -2.16 -1.23 0.00 0.00 174.94 173.35 1nw2 s PRO 73 N 0.61 4.39 -0.06 2.79 0.04 -1.26 -4.90 135.00 136.61 1nw2 s PRO 73 Ca -0.14 2.09 0.01 0.00 0.04 0.00 0.00 61.00 63.01 1nw2 s PRO 73 Cb -0.17 -3.16 0.02 0.00 0.04 0.00 0.00 34.50 31.23 1nw2 s PRO 73 CO 0.04 -0.22 -0.07 0.99 0.04 0.00 0.00 177.00 177.78 1nw2 s THR 74 N -0.25 0.78 -0.11 1.26 2.01 -1.10 -0.07 115.64 118.16 1nw2 s THR 74 Ca 0.54 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.31 1nw2 s THR 74 Cb -0.37 -0.77 -0.02 0.00 0.01 0.00 0.00 72.50 71.34 1nw2 s THR 74 CO 0.42 0.29 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.74 1nw2 s LEU 75 N 1.02 2.71 -0.13 4.42 1.02 -0.25 -0.49 118.68 126.97 1nw2 s LEU 75 Ca -0.09 -0.30 0.03 0.00 0.02 0.00 0.00 54.13 53.79 1nw2 s LEU 75 Cb -0.14 -1.59 0.01 0.00 0.02 0.00 0.00 46.19 44.48 1nw2 s LEU 75 CO -0.00 0.21 -0.22 -0.63 0.02 0.00 0.00 176.35 175.73 1nw2 s ILE 76 N 0.05 2.06 -0.13 -0.59 1.01 -0.65 0.12 121.20 123.08 1nw2 s ILE 76 Ca -0.05 -0.99 -0.21 0.00 0.00 0.00 0.00 60.65 59.40 1nw2 s ILE 76 Cb -0.15 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 1nw2 s ILE 76 CO 0.04 0.55 0.63 -0.22 0.00 0.00 0.00 174.94 175.95 1nw2 s LEU 77 N 0.71 4.24 -0.08 2.97 2.96 0.16 -0.66 118.68 128.98 1nw2 s LEU 77 Ca -0.10 0.99 0.00 0.00 -0.22 0.00 0.00 54.13 54.80 1nw2 s LEU 77 Cb -0.16 -2.94 -0.03 0.00 0.50 0.00 0.00 46.19 43.56 1nw2 s LEU 77 CO 0.00 -0.16 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.46 1nw2 s PHE 78 N 1.21 2.97 -0.05 5.38 0.40 0.13 -0.91 117.98 127.10 1nw2 s PHE 78 Ca 0.32 0.01 -0.02 0.00 -0.60 0.00 0.00 56.93 56.64 1nw2 s PHE 78 Cb -0.16 -1.74 0.04 0.00 0.51 0.00 0.00 43.02 41.66 1nw2 s PHE 78 CO 0.13 0.32 0.10 0.15 0.70 0.00 0.00 175.22 176.62 1nw2 s LYS 79 N -0.73 -0.00 -1.46 0.44 1.02 -0.27 -1.93 119.74 116.81 1nw2 s LYS 79 Ca 0.11 0.39 0.00 0.00 0.02 0.00 0.00 55.97 56.49 1nw2 s LYS 79 Cb -0.11 -0.31 0.00 0.00 -0.52 0.00 0.00 37.83 36.89 1nw2 s LYS 79 CO 0.02 -0.25 0.00 0.41 -0.92 0.00 0.00 175.35 174.61 1nw2 n GLY 80 N 4.82 -0.32 2.24 -3.33 0.00 -1.24 -2.38 105.19 104.98 1nw2 n GLY 80 Ca -0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.02 0.49 3.21 -0.02 0.00 -1.17 -4.96 105.19 101.73 1nw2 n GLY 81 Ca -0.20 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.09 1.05 -0.08 1.61 0.41 -1.00 -4.98 118.70 114.63 1nw2 s GLU 82 Ca 0.00 -0.95 -0.30 0.00 -0.41 0.00 0.00 54.97 53.31 1nw2 s GLU 82 Cb 0.00 -1.15 -0.02 0.00 -1.78 0.00 0.00 34.13 31.17 1nw2 s GLU 82 CO 0.00 0.28 1.14 -1.25 -0.49 0.00 0.00 175.26 174.94 1nw2 s PRO 83 N -1.49 4.37 -0.00 0.39 0.04 -1.26 -1.12 135.00 135.93 1nw2 s PRO 83 Ca 0.03 1.58 0.08 0.00 0.04 0.00 0.00 61.00 62.74 1nw2 s PRO 83 Cb -0.09 -3.56 -0.09 0.00 0.04 0.00 0.00 34.50 30.80 1nw2 s PRO 83 CO 0.02 -0.41 0.35 1.33 0.04 0.00 0.00 177.00 178.33 1nw2 n VAL 84 N 4.62 0.00 -3.70 -0.36 0.24 -0.09 -4.95 118.33 114.09 1nw2 n VAL 84 Ca 0.10 -0.30 -0.12 0.00 -2.04 0.00 0.00 64.34 61.99 1nw2 n VAL 84 Cb 0.47 0.96 -0.09 0.00 -1.47 0.00 0.00 33.84 33.70 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 -1.84 0.54 -0.24 7.34 -0.14 -1.17 -4.98 119.74 119.24 1nw2 s LYS 85 Ca 0.03 0.76 0.02 0.00 -1.36 0.00 0.00 55.97 55.41 1nw2 s LYS 85 Cb 0.06 0.19 0.06 0.00 -1.68 0.00 0.00 37.83 36.46 1nw2 s LYS 85 CO 0.35 -0.10 -0.09 -0.65 -0.76 0.00 0.00 175.35 174.10 1nw2 s GLN 86 N 0.66 2.03 -0.32 1.68 1.11 -1.26 -0.67 119.66 122.88 1nw2 s GLN 86 Ca -0.03 -1.12 -0.15 0.00 0.01 0.00 0.00 55.36 54.07 1nw2 s GLN 86 Cb -0.05 -2.69 -0.02 0.00 -1.01 0.00 0.00 33.01 29.24 1nw2 s GLN 86 CO -0.04 -0.54 0.35 -0.51 0.01 0.00 0.00 175.29 174.56 1nw2 s LEU 87 N 1.26 4.33 -0.15 2.90 1.43 0.33 -4.93 118.68 123.85 1nw2 s LEU 87 Ca -0.06 -0.12 -0.19 0.00 -1.03 0.00 0.00 54.13 52.73 1nw2 s LEU 87 Cb -0.19 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 1nw2 s LEU 87 CO -0.06 -0.29 0.53 -0.63 0.23 0.00 0.00 176.35 176.13 1nw2 s ILE 88 N 2.02 5.12 0.00 -0.59 -1.09 -1.26 -1.09 121.20 124.30 1nw2 s ILE 88 Ca 0.12 1.03 0.00 0.00 -2.23 0.00 0.00 60.65 59.57 1nw2 s ILE 88 Cb -0.16 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 1nw2 s ILE 88 CO 0.11 0.23 0.00 0.61 -1.23 0.00 0.00 174.94 174.67 1nw2 n GLY 89 N 3.56 -2.15 3.74 6.18 0.00 0.90 -4.92 105.19 112.50 1nw2 n GLY 89 Ca -0.05 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.13 2.81 -4.02 1.61 9.36 -1.26 -4.73 117.16 120.80 1nw2 n TYR 90 Ca 0.00 0.25 -0.32 0.00 3.32 0.00 0.00 57.90 61.15 1nw2 n TYR 90 Cb 0.00 -2.59 -0.15 0.00 -0.63 0.00 0.00 39.34 35.97 1nw2 n TYR 90 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1nw2 s GLN 91 N -0.41 1.89 0.73 2.98 -1.52 -1.26 -5.10 119.66 116.96 1nw2 s GLN 91 Ca 0.65 -1.62 -0.14 0.00 -1.95 0.00 0.00 55.36 52.31 1nw2 s GLN 91 Cb -0.51 -3.10 0.04 0.00 -0.22 0.00 0.00 33.01 29.22 1nw2 s GLN 91 CO 0.48 -0.77 1.14 -2.14 -0.25 0.00 0.00 175.29 173.74 1nw2 s PRO 92 N 1.02 2.31 0.30 2.91 0.02 -1.26 -4.74 135.00 135.56 1nw2 s PRO 92 Ca 0.02 1.47 0.05 0.00 0.02 0.00 0.00 61.00 62.55 1nw2 s PRO 92 Cb -0.20 -1.88 0.81 0.00 0.02 0.00 0.00 34.50 33.25 1nw2 s PRO 92 CO -0.06 -1.64 1.64 -0.22 -0.33 0.00 0.00 177.00 176.39 1nw2 h LYS 93 N -0.50 0.20 -0.30 5.54 3.64 -1.99 0.83 116.57 123.99 1nw2 h LYS 93 Ca -0.46 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 58.83 1nw2 h LYS 93 Cb 1.26 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1nw2 h LYS 93 CO 0.51 0.13 -0.14 0.93 -2.27 0.00 0.00 179.45 178.62 1nw2 h GLU 94 N 0.21 0.51 -0.33 1.90 3.07 -2.00 -2.29 114.58 115.65 1nw2 h GLU 94 Ca 0.60 -0.15 -0.14 0.00 -0.50 0.00 0.00 59.36 59.17 1nw2 h GLU 94 Cb 1.27 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.12 1nw2 h GLU 94 CO -0.67 0.64 -0.37 1.96 -1.40 0.00 0.00 179.01 179.17 1nw2 h GLN 95 N 0.47 0.75 -0.75 2.33 1.08 -1.18 -1.16 115.11 116.66 1nw2 h GLN 95 Ca 0.09 -0.38 -0.05 0.00 -1.45 0.00 0.00 58.65 56.86 1nw2 h GLN 95 Cb 0.52 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 1nw2 h GLN 95 CO 0.03 1.00 0.29 -0.07 -0.95 0.00 0.00 178.83 179.13 1nw2 h LEU 96 N 0.63 1.04 0.06 1.46 3.38 -1.22 0.16 115.31 120.81 1nw2 h LEU 96 Ca 0.06 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1nw2 h LEU 96 Cb 0.91 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1nw2 h LEU 96 CO 0.08 0.94 -0.03 -0.33 0.09 0.00 0.00 178.44 179.19 1nw2 h GLU 97 N 1.09 -0.08 0.79 1.13 4.39 -1.24 -1.87 114.58 118.80 1nw2 h GLU 97 Ca 0.25 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.92 1nw2 h GLU 97 Cb 0.23 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1nw2 h GLU 97 CO -0.02 0.19 -0.47 0.00 -1.16 0.00 0.00 179.01 177.55 1nw2 h ALA 98 N 0.57 -1.28 -0.84 3.43 0.00 -1.06 -2.08 119.26 118.01 1nw2 h ALA 98 Ca -0.01 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.77 1nw2 h ALA 98 Cb 0.31 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1nw2 h ALA 98 CO 0.01 -1.22 0.54 1.96 0.00 0.00 0.00 179.25 180.54 1nw2 h GLN 99 N -1.18 0.70 -0.55 0.00 1.08 -0.76 -1.59 115.11 112.82 1nw2 h GLN 99 Ca -0.11 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.05 1nw2 h GLN 99 Cb 0.94 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 28.21 1nw2 h GLN 99 CO 0.12 0.46 0.01 1.28 -0.95 0.00 0.00 178.83 179.75 1nw2 n LEU 100 N -4.53 5.59 -0.26 1.46 4.77 -0.70 -4.64 117.00 118.68 1nw2 n LEU 100 Ca 0.15 -2.96 0.06 0.00 -0.03 0.00 0.00 56.01 53.24 1nw2 n LEU 100 Cb 0.38 -0.68 0.18 0.00 -2.33 0.00 0.00 43.42 40.98 1nw2 n LEU 100 CO 0.31 0.64 0.85 0.00 -1.33 0.00 0.00 177.39 177.86 1nw2 h ALA 101 N 3.74 0.87 0.26 -1.18 0.00 -0.55 -2.23 119.26 120.18 1nw2 h ALA 101 Ca 0.01 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1nw2 h ALA 101 Cb 1.95 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 20.11 1nw2 h ALA 101 CO 0.48 -0.42 -0.33 0.22 0.00 0.00 0.00 179.25 179.19 1nw2 h ASP 102 N 0.13 -0.93 -0.16 0.00 3.58 -1.83 -2.65 116.42 114.55 1nw2 h ASP 102 Ca 0.44 0.08 0.05 0.00 0.42 0.00 0.00 57.03 58.02 1nw2 h ASP 102 Cb 0.79 0.32 -0.01 0.00 1.72 0.00 0.00 39.33 42.15 1nw2 h ASP 102 CO -0.66 -0.41 0.18 -0.37 -2.88 0.00 0.00 179.24 175.11 1nw2 h VAL 103 N -0.60 0.48 -1.06 2.25 -1.51 -1.83 -3.33 116.25 110.63 1nw2 h VAL 103 Ca -0.03 0.00 -0.70 0.00 -1.23 0.00 0.00 66.70 64.74 1nw2 h VAL 103 Cb 0.54 0.85 -0.10 0.00 -2.13 0.00 0.00 31.29 30.46 1nw2 h VAL 103 CO -0.08 0.00 2.13 0.18 -1.23 0.00 0.00 177.57 178.57 1nw2 n LEU 104 N -3.81 5.31 0.00 4.19 4.77 -0.88 -4.85 117.00 121.73 1nw2 n LEU 104 Ca 0.01 -4.10 0.00 0.00 -0.03 0.00 0.00 56.01 51.89 1nw2 n LEU 104 Cb 0.30 -1.70 0.00 0.00 -2.33 0.00 0.00 43.42 39.69 1nw2 n LEU 104 CO 0.27 0.45 0.00 0.00 -1.33 0.00 0.00 177.39 176.78