#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 5.14 0.23 0.00 -4.23 -1.26 -4.81 115.64 110.71 1nw2 s THR 2 Ca 0.00 0.77 -0.30 0.00 -1.18 0.00 0.00 61.69 60.98 1nw2 s THR 2 Cb 0.00 -3.70 -0.09 0.00 1.34 0.00 0.00 72.50 70.06 1nw2 s THR 2 CO 0.00 0.50 1.08 -0.32 -0.54 0.00 0.00 174.62 175.34 1nw2 s MET 3 N -0.48 4.65 -0.28 3.99 -2.45 -0.74 -4.88 119.30 119.11 1nw2 s MET 3 Ca 0.22 1.72 -0.12 0.00 -1.25 0.00 0.00 55.69 56.26 1nw2 s MET 3 Cb -0.15 -3.24 -0.04 0.00 1.25 0.00 0.00 34.83 32.64 1nw2 s MET 3 CO 0.10 0.20 0.25 0.99 1.05 0.00 0.00 175.02 177.61 1nw2 s THR 4 N -0.76 5.27 0.18 10.11 2.01 -1.26 -1.16 115.64 130.02 1nw2 s THR 4 Ca 0.46 0.26 0.04 0.00 0.31 0.00 0.00 61.69 62.76 1nw2 s THR 4 Cb -0.30 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 1nw2 s THR 4 CO 0.37 0.20 0.27 -0.76 -0.69 0.00 0.00 174.62 174.01 1nw2 s LEU 5 N 1.86 4.20 0.17 4.42 1.43 -0.13 -4.94 118.68 125.69 1nw2 s LEU 5 Ca 0.09 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1nw2 s LEU 5 Cb -0.16 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.25 1nw2 s LEU 5 CO 0.11 0.03 0.05 0.42 0.23 0.00 0.00 176.35 177.18 1nw2 s THR 6 N -1.82 0.36 0.38 5.49 -4.23 -1.26 -4.48 115.64 110.09 1nw2 s THR 6 Ca 0.34 -1.96 0.10 0.00 -1.18 0.00 0.00 61.69 58.99 1nw2 s THR 6 Cb -0.10 -2.20 0.32 0.00 1.34 0.00 0.00 72.50 71.86 1nw2 s THR 6 CO 0.27 -0.36 1.93 0.44 -0.54 0.00 0.00 174.62 176.37 1nw2 h ASP 7 N 2.72 0.56 -0.20 3.99 3.32 -1.90 -0.83 116.42 124.08 1nw2 h ASP 7 Ca -0.36 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.55 1nw2 h ASP 7 Cb 1.21 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1nw2 h ASP 7 CO 0.60 0.33 -0.43 0.00 -1.72 0.00 0.00 179.24 178.02 1nw2 h ALA 8 N 1.63 0.68 -0.33 3.45 0.00 -1.99 -3.31 119.26 119.39 1nw2 h ALA 8 Ca 0.35 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1nw2 h ALA 8 Cb 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1nw2 h ALA 8 CO -0.13 0.67 0.00 0.27 0.00 0.00 0.00 179.25 180.06 1nw2 n ASN 9 N -4.03 3.00 0.36 0.00 0.23 -0.94 -4.72 115.26 109.17 1nw2 n ASN 9 Ca -0.02 -1.88 -0.18 0.00 -0.53 0.00 0.00 54.58 51.96 1nw2 n ASN 9 Cb 0.55 -0.21 -0.09 0.00 -2.08 0.00 0.00 39.78 37.95 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 3.13 -1.20 -0.96 -2.53 3.57 -1.26 -2.46 116.94 115.22 1nw2 h PHE 10 Ca 0.00 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.65 1nw2 h PHE 10 Cb 0.79 0.44 -0.10 0.00 2.79 0.00 0.00 35.95 39.87 1nw2 h PHE 10 CO 0.21 -0.65 0.57 1.96 -2.23 0.00 0.00 178.31 178.18 1nw2 h GLN 11 N -1.04 0.79 -0.44 1.11 1.08 -1.84 -1.23 115.11 113.54 1nw2 h GLN 11 Ca -0.08 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.06 1nw2 h GLN 11 Cb 0.86 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 28.09 1nw2 h GLN 11 CO 0.05 0.52 0.21 0.37 -0.95 0.00 0.00 178.83 179.03 1nw2 h GLN 12 N 0.81 0.63 -0.69 1.46 5.75 -1.86 -3.05 115.11 118.16 1nw2 h GLN 12 Ca 0.52 -0.09 0.05 0.00 -0.15 0.00 0.00 58.65 58.98 1nw2 h GLN 12 Cb 0.69 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 29.07 1nw2 h GLN 12 CO -0.33 0.54 0.41 0.00 -2.65 0.00 0.00 178.83 176.79 1nw2 h ALA 13 N 1.06 0.93 -0.04 3.38 0.00 -0.75 -2.79 119.26 121.05 1nw2 h ALA 13 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1nw2 h ALA 13 Cb 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1nw2 h ALA 13 CO -0.02 0.12 0.00 0.44 0.00 0.00 0.00 179.25 179.79 1nw2 n ILE 14 N -4.74 0.04 -0.42 0.00 -5.35 -0.99 -3.14 119.36 104.76 1nw2 n ILE 14 Ca 0.08 -0.14 0.10 0.00 -0.27 0.00 0.00 62.75 62.52 1nw2 n ILE 14 Cb 0.15 -0.00 0.34 0.00 -1.74 0.00 0.00 39.64 38.38 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 -0.36 3.33 -1.75 6.28 6.02 -1.05 -2.80 117.38 127.05 1nw2 n GLN 15 Ca 0.19 -2.68 -0.29 0.00 -0.01 0.00 0.00 57.00 54.21 1nw2 n GLN 15 Cb 0.21 -1.78 0.11 0.00 1.02 0.00 0.00 30.24 29.81 1nw2 n GLN 15 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1nw2 s GLY 16 N -0.91 1.59 0.00 1.08 0.00 -1.19 -4.98 107.32 102.92 1nw2 s GLY 16 Ca 0.48 -0.63 0.28 0.00 0.00 0.00 0.00 44.72 44.85 1nw2 s GLY 16 CO 0.26 -0.10 1.91 1.22 0.00 0.00 0.00 173.10 176.40 1nw2 n ASP 17 N -3.53 0.00 -4.40 1.64 8.00 -1.26 -4.78 116.55 112.22 1nw2 n ASP 17 Ca 0.08 0.31 -0.31 0.00 0.71 0.00 0.00 54.79 55.58 1nw2 n ASP 17 Cb 0.60 -0.44 -0.14 0.00 -0.02 0.00 0.00 41.12 41.13 1nw2 n ASP 17 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1nw2 s LYS 18 N -2.87 2.20 0.72 -1.24 1.02 -1.26 -5.06 119.74 113.25 1nw2 s LYS 18 Ca 0.17 -0.88 -0.16 0.00 0.02 0.00 0.00 55.97 55.12 1nw2 s LYS 18 Cb 0.18 -2.18 -0.01 0.00 -0.52 0.00 0.00 37.83 35.31 1nw2 s LYS 18 CO 0.48 0.57 0.85 -2.30 -0.92 0.00 0.00 175.35 174.03 1nw2 n PRO 19 N 2.13 0.44 -4.59 -1.68 -0.02 -1.26 -4.69 135.00 125.34 1nw2 n PRO 19 Ca -0.16 0.20 -0.29 0.00 -2.02 0.00 0.00 63.50 61.22 1nw2 n PRO 19 Cb 0.52 -2.11 -0.17 0.00 -0.02 0.00 0.00 33.50 31.72 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 -1.85 1.64 -0.37 -1.45 1.01 0.00 -1.03 120.40 118.35 1nw2 s VAL 20 Ca 0.71 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 1nw2 s VAL 20 Cb -0.35 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.56 1nw2 s VAL 20 CO 0.52 0.47 0.25 -0.22 0.00 0.00 0.00 175.10 176.13 1nw2 s LEU 21 N 0.86 4.77 -0.28 3.92 2.96 0.14 -0.02 118.68 131.03 1nw2 s LEU 21 Ca -0.09 -0.73 -0.10 0.00 -0.22 0.00 0.00 54.13 52.99 1nw2 s LEU 21 Cb -0.15 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 1nw2 s LEU 21 CO -0.00 -0.35 0.15 -0.69 -1.32 0.00 0.00 176.35 174.14 1nw2 s VAL 22 N 1.67 4.90 -0.44 1.68 1.01 -0.11 -0.13 120.40 128.98 1nw2 s VAL 22 Ca 0.05 -0.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.76 1nw2 s VAL 22 Cb -0.18 -3.36 0.02 0.00 0.00 0.00 0.00 36.38 32.86 1nw2 s VAL 22 CO 0.09 0.23 0.71 -0.62 0.00 0.00 0.00 175.10 175.51 1nw2 s ASP 23 N 1.69 6.37 -0.43 3.32 2.15 0.21 -1.55 116.67 128.43 1nw2 s ASP 23 Ca 0.06 -0.19 -0.22 0.00 0.43 0.00 0.00 52.55 52.63 1nw2 s ASP 23 Cb -0.16 -2.35 0.02 0.00 -0.30 0.00 0.00 42.92 40.13 1nw2 s ASP 23 CO 0.08 -0.82 0.71 -0.36 -0.17 0.00 0.00 175.17 174.61 1nw2 s PHE 24 N 3.02 3.04 0.37 -5.34 0.40 0.28 -0.11 117.98 119.64 1nw2 s PHE 24 Ca 0.26 0.11 0.05 0.00 -0.60 0.00 0.00 56.93 56.75 1nw2 s PHE 24 Cb -0.13 -3.46 -0.03 0.00 0.51 0.00 0.00 43.02 39.91 1nw2 s PHE 24 CO 0.20 -0.89 0.19 1.67 0.70 0.00 0.00 175.22 177.10 1nw2 s TRP 25 N 3.02 1.74 0.09 0.36 1.48 -0.90 -3.09 118.94 121.65 1nw2 s TRP 25 Ca 0.26 -1.45 -0.18 0.00 -1.06 0.00 0.00 56.10 53.67 1nw2 s TRP 25 Cb -0.13 -0.95 0.04 0.00 -1.16 0.00 0.00 33.47 31.27 1nw2 s TRP 25 CO 0.20 -0.56 0.43 0.00 -4.06 0.00 0.00 176.95 172.96 1nw2 s ALA 26 N -3.35 -1.03 0.37 2.67 0.00 -1.26 -1.23 121.76 117.93 1nw2 s ALA 26 Ca 0.31 0.17 0.14 0.00 0.00 0.00 0.00 51.96 52.59 1nw2 s ALA 26 Cb 0.03 0.54 0.79 0.00 0.00 0.00 0.00 23.12 24.48 1nw2 s ALA 26 CO 0.20 -0.56 1.85 0.00 0.00 0.00 0.00 175.76 177.24 1nw2 h ALA 27 N 2.63 1.37 0.00 0.00 0.00 -2.01 -2.47 119.26 118.78 1nw2 h ALA 27 Ca -0.33 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1nw2 h ALA 27 Cb 1.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1nw2 h ALA 27 CO 0.45 0.43 0.00 -2.67 0.00 0.00 0.00 179.25 177.45 1nw2 n TRP 28 N -4.03 0.00 -2.89 0.00 4.27 -1.26 -4.63 117.44 108.89 1nw2 n TRP 28 Ca -0.02 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.16 1nw2 n TRP 28 Cb 0.39 -0.41 -0.04 0.00 -1.36 0.00 0.00 31.31 29.90 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 11.12 0.15 1.71 0.00 0.00 -1.87 -1.85 103.07 112.33 1nw2 h GLY 30 Ca -0.25 0.19 0.04 0.00 0.00 0.00 0.00 47.33 47.31 1nw2 h GLY 30 CO 1.17 -0.17 0.12 -2.55 0.00 0.00 0.00 176.54 175.10 1nw2 h PRO 31 N -0.08 0.06 -0.70 4.80 0.11 -1.94 -2.14 132.00 132.10 1nw2 h PRO 31 Ca 0.18 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 1nw2 h PRO 31 Cb 0.36 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.42 1nw2 h PRO 31 CO -0.42 0.04 0.34 0.00 -0.21 0.00 0.00 178.00 177.75 1nw2 h ARG 33 N 0.97 -0.56 -0.40 0.00 3.08 -1.33 -0.34 114.38 115.80 1nw2 h ARG 33 Ca 0.24 0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.42 1nw2 h ARG 33 Cb 0.11 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1nw2 h ARG 33 CO -0.03 -0.37 0.28 1.98 -1.07 0.00 0.00 179.97 180.76 1nw2 h MET 34 N -0.58 0.12 0.00 0.04 4.05 -1.49 -2.19 114.93 114.89 1nw2 h MET 34 Ca -0.03 -0.01 -0.19 0.00 -0.28 0.00 0.00 59.70 59.19 1nw2 h MET 34 Cb 0.50 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.24 1nw2 h MET 34 CO 0.00 0.08 -0.92 1.98 0.23 0.00 0.00 176.91 178.28 1nw2 h MET 35 N 0.13 0.00 -0.42 0.39 1.85 -0.53 -3.38 114.93 112.97 1nw2 h MET 35 Ca 0.18 0.00 0.08 0.00 -0.61 0.00 0.00 59.70 59.36 1nw2 h MET 35 Cb 0.57 0.00 -0.09 0.00 0.43 0.00 0.00 31.60 32.51 1nw2 h MET 35 CO -0.02 0.90 -0.34 0.00 -0.40 0.00 0.00 176.91 177.05 1nw2 h ALA 36 N 1.09 -0.20 -0.79 0.39 0.00 -0.41 -0.27 119.26 119.08 1nw2 h ALA 36 Ca -0.01 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1nw2 h ALA 36 Cb 1.70 0.74 -0.06 0.00 0.00 0.00 0.00 17.79 20.17 1nw2 h ALA 36 CO 0.12 -0.74 0.47 -1.00 0.00 0.00 0.00 179.25 178.10 1nw2 h PRO 37 N -0.25 0.84 -0.70 0.00 0.13 -1.73 0.13 132.00 130.42 1nw2 h PRO 37 Ca 0.17 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 1nw2 h PRO 37 Cb 0.55 -0.19 -0.03 0.00 0.13 0.00 0.00 31.00 31.45 1nw2 h PRO 37 CO -0.56 0.56 0.41 0.28 -0.23 0.00 0.00 178.00 178.45 1nw2 h VAL 38 N 0.87 1.21 -0.38 1.56 2.07 -1.49 -1.59 116.25 118.50 1nw2 h VAL 38 Ca 0.35 -0.49 -0.11 0.00 0.82 0.00 0.00 66.70 67.28 1nw2 h VAL 38 Cb 0.18 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1nw2 h VAL 38 CO -0.18 0.22 -0.17 0.25 0.02 0.00 0.00 177.57 177.71 1nw2 h LEU 39 N 0.96 0.81 -0.44 2.57 5.85 -0.32 -0.89 115.31 123.84 1nw2 h LEU 39 Ca 0.25 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.61 1nw2 h LEU 39 Cb -0.00 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 1nw2 h LEU 39 CO -0.04 1.03 0.21 -0.33 -0.34 0.00 0.00 178.44 178.96 1nw2 h GLU 40 N 0.58 0.40 -0.31 1.25 4.39 -0.50 0.23 114.58 120.63 1nw2 h GLU 40 Ca 0.09 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.66 1nw2 h GLU 40 Cb 0.72 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1nw2 h GLU 40 CO 0.05 0.27 -0.23 0.93 -1.16 0.00 0.00 179.01 178.87 1nw2 h GLU 41 N 0.42 0.59 -0.70 2.33 5.08 -1.22 -1.21 114.58 119.86 1nw2 h GLU 41 Ca 0.19 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1nw2 h GLU 41 Cb 0.12 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1nw2 h GLU 41 CO -0.15 0.78 0.17 0.35 -1.00 0.00 0.00 179.01 179.16 1nw2 h PHE 42 N 0.52 1.18 -0.47 4.33 3.57 -0.22 -2.24 116.94 123.61 1nw2 h PHE 42 Ca 0.08 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 1nw2 h PHE 42 Cb 0.68 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1nw2 h PHE 42 CO 0.03 0.96 0.20 0.00 -2.23 0.00 0.00 178.31 177.26 1nw2 h ALA 43 N 1.11 0.61 -0.69 2.41 0.00 -0.11 -2.76 119.26 119.82 1nw2 h ALA 43 Ca 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1nw2 h ALA 43 Cb 0.37 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1nw2 h ALA 43 CO 0.00 0.21 0.37 0.93 0.00 0.00 0.00 179.25 180.76 1nw2 h GLU 44 N 0.62 0.96 0.00 0.00 5.08 -0.96 -1.76 114.58 118.51 1nw2 h GLU 44 Ca 0.16 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1nw2 h GLU 44 Cb 0.18 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1nw2 h GLU 44 CO -0.01 0.71 -0.10 0.00 -1.00 0.00 0.00 179.01 178.60 1nw2 n ALA 45 N -2.43 2.40 -1.59 3.43 0.00 -0.87 -4.14 120.51 117.31 1nw2 n ALA 45 Ca 0.07 -0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1nw2 n ALA 45 Cb 0.10 -1.42 0.05 0.00 0.00 0.00 0.00 19.45 18.19 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 -2.17 0.00 0.23 0.00 8.25 -1.06 -4.79 115.22 115.68 1nw2 n HIS 46 Ca 0.05 -0.39 0.14 0.00 -0.26 0.00 0.00 57.72 57.26 1nw2 n HIS 46 Cb 0.42 -0.09 0.73 0.00 1.12 0.00 0.00 29.99 32.18 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 0.00 1.07 0.00 -1.41 0.00 -1.45 0.30 119.26 117.77 1nw2 h ALA 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nw2 h ALA 47 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1nw2 h ALA 47 CO 0.00 -0.07 0.00 0.38 0.00 0.00 0.00 179.25 179.56 1nw2 h ASP 48 N 0.00 0.00 0.00 0.00 2.03 -1.87 -3.37 116.42 113.21 1nw2 h ASP 48 Ca 0.00 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.19 1nw2 h ASP 48 Cb 0.18 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.66 1nw2 h ASP 48 CO 0.00 0.00 -1.41 0.29 -1.03 0.00 0.00 179.24 177.09 1nw2 n LYS 49 N -2.77 2.06 -3.84 4.15 4.76 0.86 -5.07 118.16 118.31 1nw2 n LYS 49 Ca 0.04 0.01 -0.11 0.00 -2.87 0.00 0.00 58.31 55.38 1nw2 n LYS 49 Cb 0.48 -1.15 -0.09 0.00 -1.84 0.00 0.00 35.03 32.43 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 -2.15 0.09 -0.22 -0.18 0.11 -0.08 -4.08 120.40 113.89 1nw2 s VAL 50 Ca -0.05 -0.71 -0.08 0.00 -2.93 0.00 0.00 61.98 58.21 1nw2 s VAL 50 Cb 0.02 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1nw2 s VAL 50 CO 0.22 -0.39 0.09 -0.89 -3.33 0.00 0.00 175.10 170.80 1nw2 s THR 51 N -1.70 4.79 -0.26 5.04 2.01 -0.20 -3.96 115.64 121.36 1nw2 s THR 51 Ca -0.12 -0.02 -0.10 0.00 0.31 0.00 0.00 61.69 61.76 1nw2 s THR 51 Cb -0.05 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 1nw2 s THR 51 CO 0.01 0.39 0.16 -0.69 -0.69 0.00 0.00 174.62 173.80 1nw2 s VAL 52 N 0.90 5.17 0.34 3.82 1.01 -1.26 0.23 120.40 130.61 1nw2 s VAL 52 Ca 0.05 0.12 0.10 0.00 0.00 0.00 0.00 61.98 62.24 1nw2 s VAL 52 Cb -0.14 -3.44 -0.06 0.00 0.00 0.00 0.00 36.38 32.74 1nw2 s VAL 52 CO 0.03 0.29 -0.07 0.00 0.00 0.00 0.00 175.10 175.35 1nw2 s ALA 53 N 1.52 3.01 -0.01 5.51 0.00 0.82 -1.80 121.76 130.81 1nw2 s ALA 53 Ca 0.07 -2.04 0.03 0.00 0.00 0.00 0.00 51.96 50.02 1nw2 s ALA 53 Cb -0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1nw2 s ALA 53 CO 0.08 0.09 -0.09 0.15 0.00 0.00 0.00 175.76 175.99 1nw2 s LYS 54 N -3.63 0.76 -0.14 0.00 1.02 -0.31 -0.62 119.74 116.83 1nw2 s LYS 54 Ca 0.33 -0.32 -0.00 0.00 0.02 0.00 0.00 55.97 56.00 1nw2 s LYS 54 Cb 0.01 -0.74 0.03 0.00 -0.52 0.00 0.00 37.83 36.62 1nw2 s LYS 54 CO 0.17 0.18 -0.09 -1.17 -0.92 0.00 0.00 175.35 173.53 1nw2 s LEU 55 N -0.14 1.44 -0.63 3.17 2.96 0.85 -0.95 118.68 125.37 1nw2 s LEU 55 Ca 0.02 -0.46 -0.27 0.00 -0.22 0.00 0.00 54.13 53.20 1nw2 s LEU 55 Cb -0.04 -0.95 0.02 0.00 0.50 0.00 0.00 46.19 45.72 1nw2 s LEU 55 CO -0.00 -0.12 1.41 0.21 -1.32 0.00 0.00 176.35 176.52 1nw2 s ASN 56 N 1.63 6.06 0.45 3.68 3.84 -1.26 -2.13 114.94 127.22 1nw2 s ASN 56 Ca 0.04 0.03 0.13 0.00 0.21 0.00 0.00 52.86 53.27 1nw2 s ASN 56 Cb -0.13 -2.55 1.06 0.00 -0.55 0.00 0.00 41.25 39.08 1nw2 s ASN 56 CO -0.09 -1.82 2.05 -0.37 -2.79 0.00 0.00 177.10 174.09 1nw2 h VAL 57 N 6.31 0.98 -0.54 -5.21 -1.51 -1.48 -1.13 116.25 113.67 1nw2 h VAL 57 Ca -0.27 -0.11 0.05 0.00 -1.23 0.00 0.00 66.70 65.14 1nw2 h VAL 57 Cb 1.08 0.62 -0.03 0.00 -2.13 0.00 0.00 31.29 30.84 1nw2 h VAL 57 CO 1.22 0.06 0.36 0.44 -1.23 0.00 0.00 177.57 178.42 1nw2 h ASP 58 N 0.33 0.46 -0.01 4.19 3.32 -1.90 -2.96 116.42 119.84 1nw2 h ASP 58 Ca 0.16 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1nw2 h ASP 58 Cb 0.24 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1nw2 h ASP 58 CO -0.04 0.30 -0.33 -0.62 -1.72 0.00 0.00 179.24 176.84 1nw2 n GLU 59 N -4.47 1.59 -3.24 3.56 -0.58 -0.51 -4.73 120.64 112.26 1nw2 n GLU 59 Ca 0.07 -0.91 -0.24 0.00 -0.42 0.00 0.00 57.16 55.66 1nw2 n GLU 59 Cb 0.21 -1.31 -0.07 0.00 -0.57 0.00 0.00 31.44 29.71 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 -0.01 1.39 0.10 1.62 3.02 -0.70 -4.85 115.26 115.83 1nw2 n ASN 60 Ca 0.07 -2.97 0.05 0.00 -0.03 0.00 0.00 54.58 51.70 1nw2 n ASN 60 Cb 0.37 -0.64 0.50 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 3.88 0.34 -0.07 3.52 0.13 -1.85 -3.04 132.00 134.91 1nw2 h PRO 61 Ca 0.11 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1nw2 h PRO 61 Cb 0.81 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 1nw2 h PRO 61 CO 0.58 0.23 0.03 0.93 -0.23 0.00 0.00 178.00 179.55 1nw2 h GLU 62 N 0.34 0.10 -0.20 0.86 5.08 -1.93 -0.62 114.58 118.21 1nw2 h GLU 62 Ca 0.09 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.27 1nw2 h GLU 62 Cb -0.02 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1nw2 h GLU 62 CO -0.02 0.18 -0.57 1.15 -1.00 0.00 0.00 179.01 178.75 1nw2 h THR 63 N -0.01 1.31 -0.43 1.13 2.02 -1.92 -1.19 112.91 113.82 1nw2 h THR 63 Ca 0.02 -1.81 -0.04 0.00 0.77 0.00 0.00 66.41 65.35 1nw2 h THR 63 Cb 0.11 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 1nw2 h THR 63 CO -0.00 0.57 0.10 0.74 0.37 0.00 0.00 175.52 177.30 1nw2 h THR 64 N 0.48 1.23 -0.15 3.16 2.02 -1.47 -2.73 112.91 115.45 1nw2 h THR 64 Ca 0.01 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 1nw2 h THR 64 Cb 1.13 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1nw2 h THR 64 CO 0.11 0.28 0.01 -1.28 0.37 0.00 0.00 175.52 175.01 1nw2 h SER 65 N 0.56 0.26 -0.89 4.18 0.87 -1.07 -2.63 113.55 114.82 1nw2 h SER 65 Ca 0.13 -0.30 0.23 0.00 -1.23 0.00 0.00 61.79 60.63 1nw2 h SER 65 Cb 0.32 -0.07 -0.13 0.00 -0.44 0.00 0.00 62.40 62.08 1nw2 h SER 65 CO 0.00 0.49 0.35 1.56 -0.53 0.00 0.00 176.83 178.71 1nw2 h GLN 66 N 0.02 0.32 -0.62 2.24 4.20 -1.09 0.59 115.11 120.77 1nw2 h GLN 66 Ca 0.04 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1nw2 h GLN 66 Cb 0.35 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1nw2 h GLN 66 CO 0.01 0.21 0.00 1.19 -0.67 0.00 0.00 178.83 179.57 1nw2 n PHE 67 N -5.10 1.15 -3.32 2.96 3.01 -1.04 -4.95 117.46 110.16 1nw2 n PHE 67 Ca 0.22 -0.45 -0.24 0.00 1.01 0.00 0.00 57.45 57.99 1nw2 n PHE 67 Cb 0.68 -0.21 0.04 0.00 -0.01 0.00 0.00 39.48 39.98 1nw2 n PHE 67 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1nw2 n GLY 68 N 0.92 -0.52 3.73 1.37 0.00 0.20 -4.93 105.19 105.96 1nw2 n GLY 68 Ca 0.20 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.55 1.27 -0.01 -0.61 2.08 -1.00 -4.89 119.36 111.64 1nw2 n ILE 69 Ca -0.05 -0.32 -0.01 0.00 0.56 0.00 0.00 62.75 62.93 1nw2 n ILE 69 Cb 0.58 -1.85 -0.01 0.00 -0.75 0.00 0.00 39.64 37.61 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 1.69 2.58 -4.10 0.38 2.81 -1.26 -4.95 117.12 114.28 1nw2 n MET 70 Ca 0.07 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.86 1nw2 n MET 70 Cb 0.36 -1.04 -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 -3.52 0.83 -0.10 7.83 1.04 -1.26 -5.15 113.70 113.37 1nw2 s SER 71 Ca -0.01 -0.78 0.04 0.00 0.48 0.00 0.00 55.95 55.68 1nw2 s SER 71 Cb 0.01 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1nw2 s SER 71 CO 0.06 -0.37 -0.24 -0.63 0.98 0.00 0.00 173.24 173.05 1nw2 s ILE 72 N -2.58 2.07 0.70 -1.02 -1.09 -1.26 -4.00 121.20 114.03 1nw2 s ILE 72 Ca -0.00 -1.01 -0.13 0.00 -2.23 0.00 0.00 60.65 57.28 1nw2 s ILE 72 Cb -0.02 -1.79 0.02 0.00 -1.58 0.00 0.00 42.46 39.10 1nw2 s ILE 72 CO -0.03 0.56 1.09 -2.84 -1.23 0.00 0.00 174.94 172.49 1nw2 s PRO 73 N 0.40 2.62 -0.25 2.79 0.02 -1.26 -4.91 135.00 134.40 1nw2 s PRO 73 Ca -0.18 1.25 -0.12 0.00 0.02 0.00 0.00 61.00 61.98 1nw2 s PRO 73 Cb -0.18 -1.94 0.09 0.00 0.02 0.00 0.00 34.50 32.50 1nw2 s PRO 73 CO 0.08 -1.37 0.59 0.99 -0.33 0.00 0.00 177.00 176.96 1nw2 s THR 74 N -2.64 -0.40 -0.08 0.99 2.01 -1.18 -1.81 115.64 112.54 1nw2 s THR 74 Ca 0.64 0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.72 1nw2 s THR 74 Cb -0.18 -0.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 1nw2 s THR 74 CO 0.48 0.02 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.44 1nw2 s LEU 75 N 2.12 2.20 -0.11 4.42 1.02 -0.03 -0.56 118.68 127.74 1nw2 s LEU 75 Ca -0.07 -0.48 0.03 0.00 0.02 0.00 0.00 54.13 53.63 1nw2 s LEU 75 Cb -0.09 -1.42 0.00 0.00 0.02 0.00 0.00 46.19 44.70 1nw2 s LEU 75 CO -0.17 0.22 -0.22 -0.63 0.02 0.00 0.00 176.35 175.57 1nw2 s ILE 76 N -0.01 1.95 -0.25 -0.59 1.01 -0.60 0.66 121.20 123.37 1nw2 s ILE 76 Ca -0.07 -0.94 -0.17 0.00 0.00 0.00 0.00 60.65 59.47 1nw2 s ILE 76 Cb -0.15 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 1nw2 s ILE 76 CO 0.05 0.53 0.46 -0.22 0.00 0.00 0.00 174.94 175.76 1nw2 s LEU 77 N 0.53 4.07 -0.13 2.97 2.96 -0.03 -0.93 118.68 128.11 1nw2 s LEU 77 Ca -0.15 0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 54.18 1nw2 s LEU 77 Cb -0.17 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.90 1nw2 s LEU 77 CO 0.05 -0.22 0.06 -0.36 -1.32 0.00 0.00 176.35 174.56 1nw2 s PHE 78 N 2.05 3.30 -0.03 5.38 0.40 0.97 -0.77 117.98 129.29 1nw2 s PHE 78 Ca 0.19 0.22 0.01 0.00 -0.60 0.00 0.00 56.93 56.75 1nw2 s PHE 78 Cb -0.16 -1.94 0.01 0.00 0.51 0.00 0.00 43.02 41.44 1nw2 s PHE 78 CO 0.09 0.40 -0.04 0.21 0.70 0.00 0.00 175.22 176.58 1nw2 s LYS 79 N -0.39 0.57 -1.82 0.44 2.20 -0.36 -0.82 119.74 119.57 1nw2 s LYS 79 Ca 0.09 -0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.60 1nw2 s LYS 79 Cb -0.12 -0.61 0.00 0.00 -1.51 0.00 0.00 37.83 35.59 1nw2 s LYS 79 CO 0.02 -0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 1nw2 n GLY 80 N 3.64 0.61 2.11 5.54 0.00 -1.26 -1.22 105.19 114.61 1nw2 n GLY 80 Ca -0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.68 0.49 3.16 -0.02 0.00 -1.12 -5.02 105.19 102.01 1nw2 n GLY 81 Ca -0.21 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.01 0.83 -0.13 1.61 0.41 -0.36 -4.97 118.70 115.08 1nw2 s GLU 82 Ca 0.00 -0.91 -0.29 0.00 -0.41 0.00 0.00 54.97 53.36 1nw2 s GLU 82 Cb 0.00 -0.84 -0.03 0.00 -1.78 0.00 0.00 34.13 31.48 1nw2 s GLU 82 CO 0.00 0.19 1.39 -1.25 -0.49 0.00 0.00 175.26 175.10 1nw2 s PRO 83 N -1.60 4.22 -0.00 0.39 0.04 -1.26 -1.22 135.00 135.55 1nw2 s PRO 83 Ca -0.01 1.83 0.06 0.00 0.04 0.00 0.00 61.00 62.92 1nw2 s PRO 83 Cb -0.09 -3.84 -0.07 0.00 0.04 0.00 0.00 34.50 30.54 1nw2 s PRO 83 CO 0.02 -0.75 0.23 1.33 0.04 0.00 0.00 177.00 177.87 1nw2 n VAL 84 N 5.41 0.00 -3.73 -0.36 0.24 0.05 -4.96 118.33 114.98 1nw2 n VAL 84 Ca 0.15 -0.33 -0.13 0.00 -2.04 0.00 0.00 64.34 61.99 1nw2 n VAL 84 Cb 0.44 0.90 -0.10 0.00 -1.47 0.00 0.00 33.84 33.62 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 -1.68 0.52 -0.23 7.34 1.02 -1.17 -4.98 119.74 120.56 1nw2 s LYS 85 Ca 0.02 0.53 -0.02 0.00 0.02 0.00 0.00 55.97 56.52 1nw2 s LYS 85 Cb 0.04 0.25 0.07 0.00 -0.52 0.00 0.00 37.83 37.67 1nw2 s LYS 85 CO 0.24 -0.07 0.03 -1.14 -0.92 0.00 0.00 175.35 173.49 1nw2 s GLN 86 N 0.10 0.89 -0.24 1.68 0.74 -1.26 -0.85 119.66 120.72 1nw2 s GLN 86 Ca -0.01 -0.70 -0.18 0.00 0.05 0.00 0.00 55.36 54.52 1nw2 s GLN 86 Cb -0.03 -2.20 -0.03 0.00 1.10 0.00 0.00 33.01 31.85 1nw2 s GLN 86 CO 0.01 -0.71 0.52 -0.51 -0.55 0.00 0.00 175.29 174.05 1nw2 s LEU 87 N 1.70 4.09 -0.20 3.68 1.43 0.21 -4.93 118.68 124.65 1nw2 s LEU 87 Ca 0.00 0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 53.57 1nw2 s LEU 87 Cb -0.18 -2.69 -0.05 0.00 0.03 0.00 0.00 46.19 43.31 1nw2 s LEU 87 CO -0.11 -0.25 0.24 -0.63 0.23 0.00 0.00 176.35 175.83 1nw2 s ILE 88 N 2.03 5.32 0.00 -0.59 -1.09 -1.26 -0.85 121.20 124.77 1nw2 s ILE 88 Ca 0.22 0.39 0.00 0.00 -2.23 0.00 0.00 60.65 59.03 1nw2 s ILE 88 Cb -0.15 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 1nw2 s ILE 88 CO 0.09 0.36 0.00 0.61 -1.23 0.00 0.00 174.94 174.77 1nw2 n GLY 89 N 3.80 -2.17 3.63 6.18 0.00 -0.75 -4.89 105.19 110.99 1nw2 n GLY 89 Ca -0.13 -1.47 -0.47 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.47 1.81 -4.03 1.61 4.19 -1.26 -4.73 117.16 114.28 1nw2 n TYR 90 Ca 0.00 0.52 -0.31 0.00 3.31 0.00 0.00 57.90 61.41 1nw2 n TYR 90 Cb 0.00 -2.39 -0.15 0.00 0.49 0.00 0.00 39.34 37.29 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 -0.17 1.97 0.76 2.98 -1.52 -1.26 -5.11 119.66 117.31 1nw2 s GLN 91 Ca 0.73 -1.37 -0.12 0.00 -1.95 0.00 0.00 55.36 52.65 1nw2 s GLN 91 Cb -0.75 -2.87 0.05 0.00 -0.22 0.00 0.00 33.01 29.21 1nw2 s GLN 91 CO 0.49 -0.64 1.10 -2.14 -0.25 0.00 0.00 175.29 173.85 1nw2 s PRO 92 N 1.13 2.29 0.25 2.91 0.02 -1.26 -4.78 135.00 135.55 1nw2 s PRO 92 Ca -0.05 1.26 -0.03 0.00 0.02 0.00 0.00 61.00 62.20 1nw2 s PRO 92 Cb -0.20 -1.90 0.47 0.00 0.02 0.00 0.00 34.50 32.90 1nw2 s PRO 92 CO -0.06 -1.63 1.74 -0.22 -0.33 0.00 0.00 177.00 176.50 1nw2 h LYS 93 N -0.89 0.50 -0.56 5.54 3.64 -1.99 -1.12 116.57 121.69 1nw2 h LYS 93 Ca -0.44 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.01 1nw2 h LYS 93 Cb 1.24 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 1nw2 h LYS 93 CO 0.51 0.33 0.38 0.93 -2.27 0.00 0.00 179.45 179.34 1nw2 h GLU 94 N 0.51 0.29 0.21 1.90 3.07 -2.00 -0.46 114.58 118.11 1nw2 h GLU 94 Ca 0.42 -0.02 -0.32 0.00 -0.50 0.00 0.00 59.36 58.95 1nw2 h GLU 94 Cb 0.61 -0.07 0.03 0.00 -0.84 0.00 0.00 28.75 28.49 1nw2 h GLU 94 CO -0.38 0.19 -1.39 1.96 -1.40 0.00 0.00 179.01 178.00 1nw2 h GLN 95 N 0.30 0.47 -0.70 2.33 1.08 -1.57 -2.12 115.11 114.90 1nw2 h GLN 95 Ca 0.26 -0.78 0.00 0.00 -1.45 0.00 0.00 58.65 56.68 1nw2 h GLN 95 Cb 0.64 0.29 -0.03 0.00 -0.05 0.00 0.00 27.48 28.32 1nw2 h GLN 95 CO -0.06 1.37 0.45 -0.07 -0.95 0.00 0.00 178.83 179.57 1nw2 h LEU 96 N 0.14 0.83 0.05 1.46 3.38 -0.92 0.34 115.31 120.60 1nw2 h LEU 96 Ca -0.21 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1nw2 h LEU 96 Cb 2.09 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.63 1nw2 h LEU 96 CO 0.25 0.63 -0.04 -0.33 0.09 0.00 0.00 178.44 179.04 1nw2 h GLU 97 N 0.96 -0.09 -0.56 1.13 4.39 -1.12 -2.25 114.58 117.05 1nw2 h GLU 97 Ca 0.26 0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.85 1nw2 h GLU 97 Cb -0.07 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1nw2 h GLU 97 CO -0.05 -0.06 -0.10 0.00 -1.16 0.00 0.00 179.01 177.64 1nw2 h ALA 98 N 0.85 0.76 -0.06 3.43 0.00 -0.93 -2.53 119.26 120.78 1nw2 h ALA 98 Ca -0.00 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 1nw2 h ALA 98 Cb 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1nw2 h ALA 98 CO 0.00 0.68 -0.68 1.96 0.00 0.00 0.00 179.25 181.20 1nw2 h GLN 99 N 0.93 0.26 -0.57 0.00 1.08 -0.35 -3.20 115.11 113.27 1nw2 h GLN 99 Ca 0.14 -0.21 -0.17 0.00 -1.45 0.00 0.00 58.65 56.96 1nw2 h GLN 99 Cb 0.68 0.04 -0.10 0.00 -0.05 0.00 0.00 27.48 28.04 1nw2 h GLN 99 CO 0.05 0.85 0.16 1.28 -0.95 0.00 0.00 178.83 180.22 1nw2 n LEU 100 N -3.82 5.24 -0.21 1.46 4.77 -0.85 -4.57 117.00 119.02 1nw2 n LEU 100 Ca -0.03 -3.31 0.07 0.00 -0.03 0.00 0.00 56.01 52.72 1nw2 n LEU 100 Cb 0.67 -0.68 0.35 0.00 -2.33 0.00 0.00 43.42 41.43 1nw2 n LEU 100 CO 0.46 0.88 1.22 0.00 -1.33 0.00 0.00 177.39 178.62 1nw2 h ALA 101 N 2.06 1.72 0.07 -1.18 0.00 -1.45 -0.88 119.26 119.61 1nw2 h ALA 101 Ca 0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1nw2 h ALA 101 Cb 2.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1nw2 h ALA 101 CO 0.57 0.14 -0.04 0.22 0.00 0.00 0.00 179.25 180.15 1nw2 h ASP 102 N 0.76 -0.08 0.85 0.00 3.58 -1.86 -2.95 116.42 116.72 1nw2 h ASP 102 Ca 0.34 -0.29 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 1nw2 h ASP 102 Cb 0.35 0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.42 1nw2 h ASP 102 CO -0.12 0.26 -0.02 -0.37 -2.88 0.00 0.00 179.24 176.10 1nw2 h VAL 103 N -0.43 0.06 -2.63 2.25 -1.51 -1.84 -3.06 116.25 109.08 1nw2 h VAL 103 Ca -0.01 -0.48 -0.74 0.00 -1.23 0.00 0.00 66.70 64.24 1nw2 h VAL 103 Cb 0.37 1.45 -0.32 0.00 -2.13 0.00 0.00 31.29 30.66 1nw2 h VAL 103 CO 0.02 0.02 0.38 0.18 -1.23 0.00 0.00 177.57 176.93 1nw2 n LEU 104 N -3.13 5.72 0.00 4.19 4.77 -0.36 -4.82 117.00 123.37 1nw2 n LEU 104 Ca -0.00 -5.32 0.00 0.00 -0.03 0.00 0.00 56.01 50.66 1nw2 n LEU 104 Cb 0.28 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 1nw2 n LEU 104 CO 0.27 1.86 0.09 1.67 -1.33 0.00 0.00 177.39 179.94