#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 1.41 0.38 0.00 2.01 -1.26 -4.70 115.64 113.49 1nw2 s THR 2 Ca 0.00 -0.53 -0.27 0.00 0.31 0.00 0.00 61.69 61.19 1nw2 s THR 2 Cb 0.00 -1.35 -0.10 0.00 0.01 0.00 0.00 72.50 71.06 1nw2 s THR 2 CO 0.00 0.43 1.40 -0.04 -0.69 0.00 0.00 174.62 175.72 1nw2 s MET 3 N 1.54 4.08 -0.24 4.92 1.00 -0.60 -4.83 119.30 125.16 1nw2 s MET 3 Ca 0.05 2.39 -0.10 0.00 0.00 0.00 0.00 55.69 58.03 1nw2 s MET 3 Cb -0.13 -2.91 -0.05 0.00 0.00 0.00 0.00 34.83 31.75 1nw2 s MET 3 CO -0.10 -0.49 0.14 0.99 0.00 0.00 0.00 175.02 175.56 1nw2 s THR 4 N -1.16 5.11 0.16 2.05 2.01 -1.26 -1.03 115.64 121.51 1nw2 s THR 4 Ca 0.54 0.09 0.07 0.00 0.31 0.00 0.00 61.69 62.70 1nw2 s THR 4 Cb -0.43 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 1nw2 s THR 4 CO 0.57 0.33 -0.02 -0.76 -0.69 0.00 0.00 174.62 174.05 1nw2 s LEU 5 N 1.24 3.26 0.26 4.42 1.43 0.02 -4.94 118.68 124.37 1nw2 s LEU 5 Ca 0.07 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 1nw2 s LEU 5 Cb -0.14 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1nw2 s LEU 5 CO 0.06 0.11 0.16 0.42 0.23 0.00 0.00 176.35 177.33 1nw2 s THR 6 N -1.63 0.13 0.46 5.49 -4.23 -1.26 -4.33 115.64 110.28 1nw2 s THR 6 Ca 0.26 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.91 1nw2 s THR 6 Cb -0.10 -2.52 0.30 0.00 1.34 0.00 0.00 72.50 71.52 1nw2 s THR 6 CO 0.18 0.00 2.06 0.44 -0.54 0.00 0.00 174.62 176.76 1nw2 h ASP 7 N 2.41 0.24 -0.16 3.99 3.32 -1.89 0.70 116.42 125.03 1nw2 h ASP 7 Ca -0.33 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.60 1nw2 h ASP 7 Cb 1.25 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1nw2 h ASP 7 CO 0.50 0.16 -0.29 0.00 -1.72 0.00 0.00 179.24 177.90 1nw2 h ALA 8 N 1.82 0.92 0.00 3.45 0.00 -1.99 -3.36 119.26 120.11 1nw2 h ALA 8 Ca 0.14 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1nw2 h ALA 8 Cb 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1nw2 h ALA 8 CO -0.03 0.62 0.00 0.27 0.00 0.00 0.00 179.25 180.11 1nw2 n ASN 9 N -4.09 1.34 0.32 0.00 0.23 -0.96 -4.85 115.26 107.25 1nw2 n ASN 9 Ca -0.01 -1.35 -0.17 0.00 -0.53 0.00 0.00 54.58 52.52 1nw2 n ASN 9 Cb 0.45 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.07 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 0.00 -0.86 -0.83 -2.53 3.57 -1.02 -2.71 116.94 112.56 1nw2 h PHE 10 Ca 0.00 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.64 1nw2 h PHE 10 Cb 0.19 0.30 -0.10 0.00 2.79 0.00 0.00 35.95 39.13 1nw2 h PHE 10 CO 0.00 -0.51 0.40 1.96 -2.23 0.00 0.00 178.31 177.93 1nw2 h GLN 11 N -0.83 0.53 -0.12 1.11 1.08 -1.84 0.17 115.11 115.20 1nw2 h GLN 11 Ca -0.07 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.00 1nw2 h GLN 11 Cb 0.67 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 1nw2 h GLN 11 CO 0.08 0.35 -0.36 1.96 -0.95 0.00 0.00 178.83 179.91 1nw2 h GLN 12 N 0.55 0.25 -0.16 1.46 1.08 -1.90 -3.00 115.11 113.39 1nw2 h GLN 12 Ca 0.46 -0.11 -0.09 0.00 -1.45 0.00 0.00 58.65 57.47 1nw2 h GLN 12 Cb 0.70 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.11 1nw2 h GLN 12 CO -0.39 0.58 -0.29 0.00 -0.95 0.00 0.00 178.83 177.78 1nw2 h ALA 13 N 1.42 1.22 -0.30 3.87 0.00 -0.64 -3.06 119.26 121.78 1nw2 h ALA 13 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1nw2 h ALA 13 Cb 0.74 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1nw2 h ALA 13 CO 0.06 0.52 0.00 0.44 0.00 0.00 0.00 179.25 180.26 1nw2 n ILE 14 N -4.12 0.40 0.19 0.00 -5.35 -0.97 -3.57 119.36 105.93 1nw2 n ILE 14 Ca -0.01 -0.40 0.10 0.00 -0.27 0.00 0.00 62.75 62.17 1nw2 n ILE 14 Cb 0.40 0.21 0.19 0.00 -1.74 0.00 0.00 39.64 38.69 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 0.38 2.32 -1.48 6.28 1.13 -1.15 -3.29 117.38 121.57 1nw2 n GLN 15 Ca 0.10 -2.13 -0.30 0.00 -1.94 0.00 0.00 57.00 52.73 1nw2 n GLN 15 Cb 0.26 -1.44 0.09 0.00 0.11 0.00 0.00 30.24 29.26 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 -1.29 1.64 0.19 1.08 0.00 -1.23 -4.95 107.32 102.76 1nw2 s GLY 16 Ca 0.33 -0.06 -0.08 0.00 0.00 0.00 0.00 44.72 44.92 1nw2 s GLY 16 CO 0.27 0.33 1.64 -0.55 0.00 0.00 0.00 173.10 174.79 1nw2 h ASP 17 N -1.05 0.99 -3.62 1.64 3.32 -1.93 -3.44 116.42 112.33 1nw2 h ASP 17 Ca -0.46 -0.30 -0.51 0.00 0.02 0.00 0.00 57.03 55.78 1nw2 h ASP 17 Cb 1.25 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1nw2 h ASP 17 CO 0.57 1.07 0.41 -0.75 -1.72 0.00 0.00 179.24 178.83 1nw2 s LYS 18 N -4.93 4.68 0.70 3.56 2.20 -1.26 -4.85 119.74 119.84 1nw2 s LYS 18 Ca -0.11 1.59 -0.16 0.00 -0.36 0.00 0.00 55.97 56.92 1nw2 s LYS 18 Cb 0.14 -3.31 -0.00 0.00 -1.51 0.00 0.00 37.83 33.14 1nw2 s LYS 18 CO 0.85 0.22 0.95 -2.30 -0.36 0.00 0.00 175.35 174.71 1nw2 n PRO 19 N 2.27 0.56 -4.80 4.03 -0.02 -1.26 -4.70 135.00 131.07 1nw2 n PRO 19 Ca 0.01 0.24 -0.30 0.00 -2.02 0.00 0.00 63.50 61.44 1nw2 n PRO 19 Cb 0.47 -2.20 -0.17 0.00 -0.02 0.00 0.00 33.50 31.59 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 -1.77 1.77 -0.33 -1.45 1.01 -0.33 -0.82 120.40 118.48 1nw2 s VAL 20 Ca 0.73 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 61.78 1nw2 s VAL 20 Cb -0.36 -1.57 -0.00 0.00 0.00 0.00 0.00 36.38 34.45 1nw2 s VAL 20 CO 0.50 0.49 0.18 -0.22 0.00 0.00 0.00 175.10 176.06 1nw2 s LEU 21 N 0.66 4.29 -0.20 3.92 2.96 0.29 0.65 118.68 131.26 1nw2 s LEU 21 Ca -0.13 -0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 53.17 1nw2 s LEU 21 Cb -0.16 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 1nw2 s LEU 21 CO 0.03 -0.23 0.00 -0.69 -1.32 0.00 0.00 176.35 174.14 1nw2 s VAL 22 N 1.63 4.05 -0.37 1.68 1.01 0.36 0.05 120.40 128.81 1nw2 s VAL 22 Ca 0.05 -0.28 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 1nw2 s VAL 22 Cb -0.17 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1nw2 s VAL 22 CO 0.07 0.43 0.44 -0.62 0.00 0.00 0.00 175.10 175.43 1nw2 s ASP 23 N 0.89 6.24 -0.42 3.32 2.15 0.90 -1.84 116.67 127.92 1nw2 s ASP 23 Ca 0.01 -0.27 -0.20 0.00 0.43 0.00 0.00 52.55 52.52 1nw2 s ASP 23 Cb -0.14 -2.23 0.02 0.00 -0.30 0.00 0.00 42.92 40.26 1nw2 s ASP 23 CO 0.02 -0.46 0.59 -0.36 -0.17 0.00 0.00 175.17 174.78 1nw2 s PHE 24 N 2.21 3.11 0.35 -5.34 0.40 0.24 0.10 117.98 119.05 1nw2 s PHE 24 Ca 0.15 -0.04 0.05 0.00 -0.60 0.00 0.00 56.93 56.49 1nw2 s PHE 24 Cb -0.16 -3.19 -0.07 0.00 0.51 0.00 0.00 43.02 40.11 1nw2 s PHE 24 CO 0.13 -0.77 0.03 1.67 0.70 0.00 0.00 175.22 176.98 1nw2 s TRP 25 N 2.63 2.17 0.04 0.36 1.48 -0.74 -2.38 118.94 122.51 1nw2 s TRP 25 Ca 0.20 -0.84 -0.04 0.00 -1.06 0.00 0.00 56.10 54.37 1nw2 s TRP 25 Cb -0.15 -1.46 -0.02 0.00 -1.16 0.00 0.00 33.47 30.68 1nw2 s TRP 25 CO 0.17 0.19 0.05 0.00 -4.06 0.00 0.00 176.95 173.30 1nw2 s ALA 26 N -3.06 0.12 0.39 2.67 0.00 -1.26 -0.85 121.76 119.77 1nw2 s ALA 26 Ca 0.36 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.60 1nw2 s ALA 26 Cb 0.09 0.27 0.80 0.00 0.00 0.00 0.00 23.12 24.28 1nw2 s ALA 26 CO 0.16 -0.34 2.04 0.00 0.00 0.00 0.00 175.76 177.63 1nw2 h ALA 27 N 3.52 1.66 0.00 0.00 0.00 -2.01 -1.93 119.26 120.51 1nw2 h ALA 27 Ca -0.33 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1nw2 h ALA 27 Cb 1.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1nw2 h ALA 27 CO 0.55 0.31 -0.17 -2.67 0.00 0.00 0.00 179.25 177.27 1nw2 n TRP 28 N -4.46 0.67 -1.57 0.00 4.27 -1.26 -4.94 117.44 110.15 1nw2 n TRP 28 Ca 0.04 0.20 -0.47 0.00 -3.89 0.00 0.00 57.50 53.37 1nw2 n TRP 28 Cb 0.06 -0.78 -0.03 0.00 -1.36 0.00 0.00 31.31 29.20 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 2.69 -0.11 1.91 0.00 0.00 -1.90 -3.37 103.07 102.29 1nw2 h GLY 30 Ca -0.41 0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1nw2 h GLY 30 CO 0.66 -0.04 0.00 -1.55 0.00 0.00 0.00 176.54 175.60 1nw2 n PRO 31 N -3.66 0.05 -0.19 4.80 -0.04 -1.26 -4.15 135.00 130.56 1nw2 n PRO 31 Ca -0.01 0.18 -0.04 0.00 -0.04 0.00 0.00 63.50 63.59 1nw2 n PRO 31 Cb 0.04 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.06 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 0.60 0.90 0.00 0.00 3.08 -1.83 -1.93 114.38 115.20 1nw2 h ARG 33 Ca 0.23 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1nw2 h ARG 33 Cb 0.09 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 1nw2 h ARG 33 CO -0.13 0.80 -0.08 0.52 -1.07 0.00 0.00 179.97 180.00 1nw2 h MET 34 N 0.87 0.00 0.00 0.04 2.86 -1.78 -3.06 114.93 113.86 1nw2 h MET 34 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1nw2 h MET 34 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1nw2 h MET 34 CO -0.00 0.08 -0.60 1.98 1.06 0.00 0.00 176.91 179.43 1nw2 h MET 35 N 0.00 0.00 0.20 1.72 4.05 -0.92 -3.40 114.93 116.58 1nw2 h MET 35 Ca -0.00 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1nw2 h MET 35 Cb 0.86 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.63 1nw2 h MET 35 CO 0.01 0.00 -0.33 0.00 0.23 0.00 0.00 176.91 176.82 1nw2 h ALA 36 N 2.33 -0.62 -0.46 0.39 0.00 -1.25 -0.98 119.26 118.67 1nw2 h ALA 36 Ca 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1nw2 h ALA 36 Cb 0.83 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1nw2 h ALA 36 CO 0.00 -0.90 0.31 -1.35 0.00 0.00 0.00 179.25 177.30 1nw2 h PRO 37 N -0.61 0.52 -0.30 0.00 0.11 -1.77 -0.65 132.00 129.30 1nw2 h PRO 37 Ca 0.01 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 1nw2 h PRO 37 Cb 0.60 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 1nw2 h PRO 37 CO -0.15 0.34 -0.00 0.28 -0.21 0.00 0.00 178.00 178.26 1nw2 h VAL 38 N 0.53 1.26 -0.34 3.15 2.07 -1.67 -2.18 116.25 119.07 1nw2 h VAL 38 Ca 0.18 -0.94 -0.12 0.00 0.82 0.00 0.00 66.70 66.64 1nw2 h VAL 38 Cb 0.07 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1nw2 h VAL 38 CO -0.04 0.30 -0.29 -0.07 0.02 0.00 0.00 177.57 177.48 1nw2 h LEU 39 N 0.32 0.74 -0.43 2.57 3.38 -0.65 -1.79 115.31 119.45 1nw2 h LEU 39 Ca 0.08 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1nw2 h LEU 39 Cb 0.43 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1nw2 h LEU 39 CO 0.02 0.99 0.24 -0.33 0.09 0.00 0.00 178.44 179.45 1nw2 h GLU 40 N 0.61 0.59 -0.29 1.13 5.08 -1.04 -0.99 114.58 119.67 1nw2 h GLU 40 Ca 0.07 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1nw2 h GLU 40 Cb 0.81 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1nw2 h GLU 40 CO 0.07 0.45 -0.07 1.49 -1.00 0.00 0.00 179.01 179.94 1nw2 h GLU 41 N 0.56 0.56 -0.98 2.33 4.57 -1.33 -1.91 114.58 118.37 1nw2 h GLU 41 Ca 0.15 -0.22 0.05 0.00 -1.18 0.00 0.00 59.36 58.16 1nw2 h GLU 41 Cb 0.03 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.53 1nw2 h GLU 41 CO -0.03 0.76 0.64 0.35 -1.18 0.00 0.00 179.01 179.55 1nw2 h PHE 42 N 0.32 1.20 -0.58 0.92 3.57 -1.17 0.72 116.94 121.92 1nw2 h PHE 42 Ca 0.07 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 1nw2 h PHE 42 Cb 0.56 -0.40 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1nw2 h PHE 42 CO 0.05 0.66 0.25 0.00 -2.23 0.00 0.00 178.31 177.05 1nw2 h ALA 43 N 1.42 0.75 -0.15 2.41 0.00 -0.99 -2.45 119.26 120.25 1nw2 h ALA 43 Ca 0.40 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1nw2 h ALA 43 Cb 0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1nw2 h ALA 43 CO -0.14 0.35 -0.12 1.49 0.00 0.00 0.00 179.25 180.83 1nw2 h GLU 44 N 0.79 0.35 0.00 0.00 4.81 -0.49 -2.59 114.58 117.45 1nw2 h GLU 44 Ca 0.20 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1nw2 h GLU 44 Cb 0.17 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1nw2 h GLU 44 CO -0.02 0.71 0.00 0.00 -0.73 0.00 0.00 179.01 178.97 1nw2 n ALA 45 N -2.40 1.87 -1.93 2.92 0.00 0.16 -2.93 120.51 118.20 1nw2 n ALA 45 Ca -0.06 -0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.36 1nw2 n ALA 45 Cb 0.34 -1.25 0.10 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.28 0.00 -0.32 0.00 8.25 -0.93 -4.88 115.22 116.06 1nw2 n HIS 46 Ca 0.07 -0.83 0.21 0.00 -0.26 0.00 0.00 57.72 56.92 1nw2 n HIS 46 Cb 0.12 -0.17 0.42 0.00 1.12 0.00 0.00 29.99 31.49 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 1.68 0.00 -1.41 0.00 -1.34 0.15 119.26 119.05 1nw2 h ALA 47 Ca -0.09 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1nw2 h ALA 47 Cb 1.40 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1nw2 h ALA 47 CO 0.04 -0.66 -0.08 -0.25 0.00 0.00 0.00 179.25 178.31 1nw2 n ASP 48 N -5.25 0.08 -0.00 0.00 8.00 -1.26 -4.01 116.55 114.11 1nw2 n ASP 48 Ca 0.29 0.39 0.04 0.00 0.71 0.00 0.00 54.79 56.22 1nw2 n ASP 48 Cb 0.95 -0.39 -0.06 0.00 -0.02 0.00 0.00 41.12 41.60 1nw2 n ASP 48 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1nw2 n LYS 49 N -1.51 2.61 -3.53 -1.24 5.02 0.47 -5.05 118.16 114.93 1nw2 n LYS 49 Ca 0.07 -0.03 -0.11 0.00 -2.02 0.00 0.00 58.31 56.21 1nw2 n LYS 49 Cb 0.34 -1.02 -0.04 0.00 -0.02 0.00 0.00 35.03 34.29 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 -2.12 0.00 -0.16 -0.18 0.11 -0.79 -4.19 120.40 113.06 1nw2 s VAL 50 Ca 0.01 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.01 1nw2 s VAL 50 Cb 0.06 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 1nw2 s VAL 50 CO 0.35 0.00 -0.01 -0.89 -3.33 0.00 0.00 175.10 171.22 1nw2 s THR 51 N -1.93 4.09 -0.14 5.04 2.01 0.00 -4.49 115.64 120.23 1nw2 s THR 51 Ca -0.01 -0.29 -0.04 0.00 0.31 0.00 0.00 61.69 61.66 1nw2 s THR 51 Cb -0.01 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 1nw2 s THR 51 CO -0.01 0.48 0.02 -0.69 -0.69 0.00 0.00 174.62 173.73 1nw2 s VAL 52 N 0.38 4.42 0.15 3.82 1.01 -1.26 -0.54 120.40 128.37 1nw2 s VAL 52 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1nw2 s VAL 52 Cb -0.14 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1nw2 s VAL 52 CO 0.02 0.53 0.03 0.00 0.00 0.00 0.00 175.10 175.68 1nw2 s ALA 53 N -0.18 1.07 0.02 5.51 0.00 0.11 -1.56 121.76 126.73 1nw2 s ALA 53 Ca 0.06 -1.52 0.03 0.00 0.00 0.00 0.00 51.96 50.53 1nw2 s ALA 53 Cb -0.12 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.68 1nw2 s ALA 53 CO 0.02 -0.41 -0.10 -1.59 0.00 0.00 0.00 175.76 173.68 1nw2 s LYS 54 N -3.98 0.67 -0.08 0.00 -2.85 -0.20 -0.07 119.74 113.23 1nw2 s LYS 54 Ca 0.23 -0.57 -0.01 0.00 -1.00 0.00 0.00 55.97 54.63 1nw2 s LYS 54 Cb 0.07 -0.60 0.03 0.00 -2.06 0.00 0.00 37.83 35.26 1nw2 s LYS 54 CO 0.02 0.15 -0.04 -1.17 0.10 0.00 0.00 175.35 174.41 1nw2 s LEU 55 N -0.90 0.94 -0.54 2.77 0.20 0.12 -0.80 118.68 120.46 1nw2 s LEU 55 Ca -0.01 -0.18 -0.28 0.00 0.69 0.00 0.00 54.13 54.34 1nw2 s LEU 55 Cb -0.07 -0.61 0.02 0.00 -0.43 0.00 0.00 46.19 45.11 1nw2 s LEU 55 CO 0.00 -0.14 1.28 0.21 -0.29 0.00 0.00 176.35 177.41 1nw2 s ASN 56 N 1.70 6.36 0.56 3.68 3.84 -1.26 -1.80 114.94 128.02 1nw2 s ASN 56 Ca 0.02 0.30 0.31 0.00 0.21 0.00 0.00 52.86 53.70 1nw2 s ASN 56 Cb -0.13 -2.55 1.66 0.00 -0.55 0.00 0.00 41.25 39.68 1nw2 s ASN 56 CO -0.05 -1.51 2.14 -0.37 -2.79 0.00 0.00 177.10 174.51 1nw2 h VAL 57 N 6.27 0.43 0.00 -5.21 -1.51 -1.29 -2.45 116.25 112.50 1nw2 h VAL 57 Ca -0.26 -0.36 -0.01 0.00 -1.23 0.00 0.00 66.70 64.84 1nw2 h VAL 57 Cb 1.07 1.25 -0.00 0.00 -2.13 0.00 0.00 31.29 31.48 1nw2 h VAL 57 CO 1.16 0.07 -0.07 0.44 -1.23 0.00 0.00 177.57 177.95 1nw2 h ASP 58 N 0.00 0.00 0.00 4.19 3.32 -1.91 -3.04 116.42 118.98 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 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1nw2 h ASP 58 CO 0.01 0.07 0.00 -0.62 -1.72 0.00 0.00 179.24 176.98 1nw2 n GLU 59 N -3.97 0.13 -3.32 3.56 1.02 -0.99 -4.85 120.64 112.23 1nw2 n GLU 59 Ca -0.03 -0.41 -0.25 0.00 -0.02 0.00 0.00 57.16 56.45 1nw2 n GLU 59 Cb 0.16 -0.91 -0.08 0.00 -0.02 0.00 0.00 31.44 30.59 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 -0.14 1.46 0.22 1.62 3.02 -0.96 -4.87 115.26 115.61 1nw2 n ASN 60 Ca 0.00 -2.94 0.08 0.00 -0.03 0.00 0.00 54.58 51.69 1nw2 n ASN 60 Cb 0.01 -0.65 0.50 0.00 -0.61 0.00 0.00 39.78 39.03 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 4.27 0.00 -0.19 3.52 0.13 -1.88 -3.13 132.00 134.72 1nw2 h PRO 61 Ca 0.13 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.21 1nw2 h PRO 61 Cb 0.80 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 1nw2 h PRO 61 CO 0.59 0.26 -0.08 0.93 -0.23 0.00 0.00 178.00 179.47 1nw2 h GLU 62 N 0.00 0.40 -0.22 0.86 5.08 -1.94 -1.07 114.58 117.69 1nw2 h GLU 62 Ca -0.00 -0.17 -0.16 0.00 -1.00 0.00 0.00 59.36 58.03 1nw2 h GLU 62 Cb 0.61 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1nw2 h GLU 62 CO 0.03 0.68 -0.50 1.15 -1.00 0.00 0.00 179.01 179.37 1nw2 h THR 63 N 0.10 1.30 -0.57 1.13 2.02 -1.93 -1.69 112.91 113.28 1nw2 h THR 63 Ca 0.05 -1.71 0.02 0.00 0.77 0.00 0.00 66.41 65.54 1nw2 h THR 63 Cb 0.55 1.81 -0.04 0.00 -1.74 0.00 0.00 68.15 68.73 1nw2 h THR 63 CO 0.03 0.54 0.35 0.74 0.37 0.00 0.00 175.52 177.54 1nw2 h THR 64 N 0.45 1.07 -0.49 3.16 2.02 -1.57 -2.55 112.91 115.01 1nw2 h THR 64 Ca 0.00 -0.24 -0.10 0.00 0.77 0.00 0.00 66.41 66.84 1nw2 h THR 64 Cb 1.11 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1nw2 h THR 64 CO 0.11 0.13 -0.11 -1.28 0.37 0.00 0.00 175.52 174.74 1nw2 h SER 65 N 0.69 0.93 -0.64 4.18 0.87 -1.14 -2.52 113.55 115.92 1nw2 h SER 65 Ca 0.23 -0.36 0.02 0.00 -1.23 0.00 0.00 61.79 60.45 1nw2 h SER 65 Cb 0.01 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.68 1nw2 h SER 65 CO -0.09 1.07 0.43 -0.61 -0.53 0.00 0.00 176.83 177.09 1nw2 h GLN 66 N 0.78 0.78 -0.68 2.24 4.15 -0.92 -2.04 115.11 119.41 1nw2 h GLN 66 Ca 0.12 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1nw2 h GLN 66 Cb 0.66 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.17 1nw2 h GLN 66 CO 0.05 0.51 0.00 1.19 -1.93 0.00 0.00 178.83 178.65 1nw2 n PHE 67 N -4.45 1.11 -3.86 3.99 3.72 -1.00 -4.96 117.46 112.00 1nw2 n PHE 67 Ca 0.07 -0.50 -0.28 0.00 -0.05 0.00 0.00 57.45 56.69 1nw2 n PHE 67 Cb 0.10 -0.08 0.03 0.00 -0.94 0.00 0.00 39.48 38.59 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 1.44 -0.47 3.77 1.37 0.00 -0.77 -4.93 105.19 105.60 1nw2 n GLY 68 Ca 0.24 0.19 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.36 2.12 0.00 -0.61 -1.09 -0.97 -4.90 121.20 112.39 1nw2 s ILE 69 Ca 0.55 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 59.08 1nw2 s ILE 69 Cb -0.28 -3.06 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 1nw2 s ILE 69 CO 0.82 0.02 0.00 0.23 -1.23 0.00 0.00 174.94 174.78 1nw2 n MET 70 N -0.08 0.00 -3.79 2.79 2.81 -1.26 -4.94 117.12 112.65 1nw2 n MET 70 Ca 0.04 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.61 1nw2 n MET 70 Cb 0.42 -0.48 -0.05 0.00 -0.71 0.00 0.00 33.22 32.40 1nw2 n MET 70 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1nw2 s SER 71 N -3.69 6.45 -0.10 7.83 0.01 -1.26 -5.10 113.70 117.85 1nw2 s SER 71 Ca 0.00 0.48 0.01 0.00 1.31 0.00 0.00 55.95 57.74 1nw2 s SER 71 Cb 0.00 -2.05 0.02 0.00 0.21 0.00 0.00 66.02 64.20 1nw2 s SER 71 CO 0.00 0.18 -0.11 -0.63 0.41 0.00 0.00 173.24 173.09 1nw2 s ILE 72 N -1.45 1.16 0.48 1.44 -1.09 -1.26 -3.61 121.20 116.88 1nw2 s ILE 72 Ca 0.33 -0.42 -0.11 0.00 -2.23 0.00 0.00 60.65 58.22 1nw2 s ILE 72 Cb -0.13 -1.11 -0.06 0.00 -1.58 0.00 0.00 42.46 39.58 1nw2 s ILE 72 CO 0.22 0.38 0.87 -2.16 -1.23 0.00 0.00 174.94 173.01 1nw2 s PRO 73 N 1.25 3.75 -0.07 2.79 0.04 -1.26 -4.71 135.00 136.79 1nw2 s PRO 73 Ca -0.03 0.59 0.03 0.00 0.04 0.00 0.00 61.00 61.63 1nw2 s PRO 73 Cb -0.14 -2.27 0.01 0.00 0.04 0.00 0.00 34.50 32.14 1nw2 s PRO 73 CO -0.04 -0.21 -0.15 0.99 0.04 0.00 0.00 177.00 177.63 1nw2 s THR 74 N -2.63 1.36 -0.17 1.26 2.01 -1.00 -1.10 115.64 115.36 1nw2 s THR 74 Ca 0.53 -0.61 -0.04 0.00 0.31 0.00 0.00 61.69 61.88 1nw2 s THR 74 Cb -0.10 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 1nw2 s THR 74 CO 0.37 0.40 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.93 1nw2 s LEU 75 N 0.60 3.32 -0.08 4.42 1.43 0.23 -0.59 118.68 128.00 1nw2 s LEU 75 Ca -0.15 -0.12 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1nw2 s LEU 75 Cb -0.16 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.26 1nw2 s LEU 75 CO 0.05 0.14 -0.14 -0.63 0.23 0.00 0.00 176.35 176.00 1nw2 s ILE 76 N 0.52 1.32 -0.24 -0.59 1.01 -0.76 -0.78 121.20 121.68 1nw2 s ILE 76 Ca -0.02 -0.56 -0.13 0.00 0.00 0.00 0.00 60.65 59.94 1nw2 s ILE 76 Cb -0.14 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 1nw2 s ILE 76 CO 0.02 0.40 0.28 -0.22 0.00 0.00 0.00 174.94 175.42 1nw2 s LEU 77 N 0.81 4.10 -0.13 2.97 2.96 -0.12 -0.49 118.68 128.78 1nw2 s LEU 77 Ca -0.11 0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 54.01 1nw2 s LEU 77 Cb -0.15 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.20 1nw2 s LEU 77 CO 0.02 -0.04 0.05 -0.36 -1.32 0.00 0.00 176.35 174.71 1nw2 s PHE 78 N 1.39 3.29 -0.03 5.38 0.40 0.21 -1.02 117.98 127.60 1nw2 s PHE 78 Ca 0.13 0.22 0.01 0.00 -0.60 0.00 0.00 56.93 56.68 1nw2 s PHE 78 Cb -0.15 -1.93 0.03 0.00 0.51 0.00 0.00 43.02 41.48 1nw2 s PHE 78 CO 0.07 0.41 -0.01 0.21 0.70 0.00 0.00 175.22 176.60 1nw2 s LYS 79 N -0.44 0.37 -1.69 0.44 2.20 -0.50 -1.19 119.74 118.93 1nw2 s LYS 79 Ca 0.09 0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.75 1nw2 s LYS 79 Cb -0.12 -0.52 0.00 0.00 -1.51 0.00 0.00 37.83 35.68 1nw2 s LYS 79 CO 0.02 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.30 1nw2 n GLY 80 N 4.09 -0.45 2.20 5.54 0.00 -1.26 -2.14 105.19 113.17 1nw2 n GLY 80 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.97 1.43 3.23 -0.02 0.00 -1.21 -5.04 105.19 102.61 1nw2 n GLY 81 Ca -0.23 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.27 0.98 0.21 1.61 0.41 -0.91 -5.00 118.70 115.73 1nw2 s GLU 82 Ca 0.00 -1.18 -0.31 0.00 -0.41 0.00 0.00 54.97 53.08 1nw2 s GLU 82 Cb 0.00 -0.88 -0.10 0.00 -1.78 0.00 0.00 34.13 31.37 1nw2 s GLU 82 CO 0.00 0.17 1.49 -2.14 -0.49 0.00 0.00 175.26 174.29 1nw2 s PRO 83 N -2.48 4.25 -0.00 0.39 0.02 -1.26 -1.41 135.00 134.50 1nw2 s PRO 83 Ca 0.06 2.32 0.03 0.00 0.02 0.00 0.00 61.00 63.43 1nw2 s PRO 83 Cb -0.06 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.29 1nw2 s PRO 83 CO 0.03 -0.50 0.08 1.33 -0.33 0.00 0.00 177.00 177.61 1nw2 n VAL 84 N 3.01 0.00 -3.60 3.83 0.24 -0.19 -4.90 118.33 116.72 1nw2 n VAL 84 Ca 0.10 -0.20 -0.13 0.00 -2.04 0.00 0.00 64.34 62.06 1nw2 n VAL 84 Cb 0.40 0.65 -0.06 0.00 -1.47 0.00 0.00 33.84 33.35 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 -1.84 0.76 -0.02 7.34 2.20 -1.22 -5.02 119.74 121.94 1nw2 s LYS 85 Ca -0.00 0.58 0.02 0.00 -0.36 0.00 0.00 55.97 56.20 1nw2 s LYS 85 Cb 0.02 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.71 1nw2 s LYS 85 CO 0.11 -0.16 -0.07 -1.14 -0.36 0.00 0.00 175.35 173.74 1nw2 s GLN 86 N -0.28 0.72 -0.02 4.03 0.74 -1.26 -0.95 119.66 122.65 1nw2 s GLN 86 Ca -0.02 -0.22 0.06 0.00 0.05 0.00 0.00 55.36 55.23 1nw2 s GLN 86 Cb -0.03 -0.70 -0.01 0.00 1.10 0.00 0.00 33.01 33.36 1nw2 s GLN 86 CO 0.01 0.08 -0.19 -0.51 -0.55 0.00 0.00 175.29 174.13 1nw2 s LEU 87 N 0.21 2.02 0.19 3.68 1.43 0.04 -4.98 118.68 121.28 1nw2 s LEU 87 Ca -0.03 -0.35 0.11 0.00 -1.03 0.00 0.00 54.13 52.84 1nw2 s LEU 87 Cb -0.07 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 1nw2 s LEU 87 CO 0.00 0.23 -0.24 0.27 0.23 0.00 0.00 176.35 176.84 1nw2 s ILE 88 N -0.39 2.33 0.04 -0.59 -4.36 -1.26 -0.60 121.20 116.37 1nw2 s ILE 88 Ca 0.06 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 1nw2 s ILE 88 Cb -0.08 -2.11 0.00 0.00 1.25 0.00 0.00 42.46 41.52 1nw2 s ILE 88 CO -0.00 -0.12 0.00 0.61 0.24 0.00 0.00 174.94 175.67 1nw2 n GLY 89 N 0.28 -2.19 3.71 6.27 0.00 -0.26 -4.88 105.19 108.12 1nw2 n GLY 89 Ca -0.13 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.31 2.26 -3.64 1.61 9.36 -1.26 -4.79 117.16 119.39 1nw2 n TYR 90 Ca 0.00 0.51 -0.17 0.00 3.32 0.00 0.00 57.90 61.55 1nw2 n TYR 90 Cb 0.08 -2.40 -0.15 0.00 -0.63 0.00 0.00 39.34 36.24 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 -2.13 0.06 0.79 2.98 -1.52 -1.26 -5.14 119.66 113.44 1nw2 s GLN 91 Ca 0.59 0.48 -0.12 0.00 -1.95 0.00 0.00 55.36 54.36 1nw2 s GLN 91 Cb -0.52 -0.49 0.07 0.00 -0.22 0.00 0.00 33.01 31.85 1nw2 s GLN 91 CO 0.59 -0.37 1.14 -1.25 -0.25 0.00 0.00 175.29 175.15 1nw2 s PRO 92 N 2.29 2.14 0.25 2.91 0.04 -1.26 -4.81 135.00 136.56 1nw2 s PRO 92 Ca 0.04 0.29 -0.04 0.00 0.04 0.00 0.00 61.00 61.32 1nw2 s PRO 92 Cb -0.13 -1.95 0.47 0.00 0.04 0.00 0.00 34.50 32.93 1nw2 s PRO 92 CO -0.07 -1.51 1.71 -0.22 0.04 0.00 0.00 177.00 176.95 1nw2 h LYS 93 N -0.99 0.34 0.00 4.56 3.64 -1.99 0.16 116.57 122.29 1nw2 h LYS 93 Ca -0.46 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 58.87 1nw2 h LYS 93 Cb 1.30 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1nw2 h LYS 93 CO 0.64 0.23 -0.13 1.05 -2.27 0.00 0.00 179.45 178.96 1nw2 h GLU 94 N 0.35 0.00 0.10 1.90 9.09 -1.99 -0.80 114.58 123.23 1nw2 h GLU 94 Ca 0.42 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.55 1nw2 h GLU 94 Cb 0.69 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.81 1nw2 h GLU 94 CO -0.46 0.13 -1.19 1.96 0.05 0.00 0.00 179.01 179.50 1nw2 h GLN 95 N 0.00 0.55 -0.53 1.06 1.08 -1.33 -2.00 115.11 113.95 1nw2 h GLN 95 Ca -0.00 -0.73 -0.03 0.00 -1.45 0.00 0.00 58.65 56.44 1nw2 h GLN 95 Cb 0.34 0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 1nw2 h GLN 95 CO 0.02 1.32 0.21 -0.07 -0.95 0.00 0.00 178.83 179.36 1nw2 h LEU 96 N 0.25 0.72 0.27 1.46 3.38 -0.90 0.20 115.31 120.70 1nw2 h LEU 96 Ca -0.16 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1nw2 h LEU 96 Cb 1.86 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.40 1nw2 h LEU 96 CO 0.22 0.69 -0.30 -0.33 0.09 0.00 0.00 178.44 178.82 1nw2 h GLU 97 N 0.71 -0.59 -0.33 1.13 4.39 -1.19 -0.12 114.58 118.58 1nw2 h GLU 97 Ca 0.18 0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.88 1nw2 h GLU 97 Cb 0.19 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1nw2 h GLU 97 CO -0.01 -0.39 0.05 0.00 -1.16 0.00 0.00 179.01 177.50 1nw2 h ALA 98 N -0.02 0.44 -0.08 3.43 0.00 -1.20 -1.91 119.26 119.91 1nw2 h ALA 98 Ca -0.01 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1nw2 h ALA 98 Cb 0.57 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1nw2 h ALA 98 CO -0.08 0.14 -0.46 1.96 0.00 0.00 0.00 179.25 180.81 1nw2 h GLN 99 N 0.38 0.20 -0.01 0.00 1.08 -0.52 -3.29 115.11 112.95 1nw2 h GLN 99 Ca 0.10 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1nw2 h GLN 99 Cb 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1nw2 h GLN 99 CO 0.01 0.63 -0.37 1.28 -0.95 0.00 0.00 178.83 179.42 1nw2 n LEU 100 N -3.98 1.77 -0.01 1.46 4.77 -0.07 -4.68 117.00 116.25 1nw2 n LEU 100 Ca -0.02 -0.77 -0.13 0.00 -0.03 0.00 0.00 56.01 55.07 1nw2 n LEU 100 Cb 0.51 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 1nw2 n LEU 100 CO 0.42 0.33 0.56 0.00 -1.33 0.00 0.00 177.39 177.37 1nw2 h ALA 101 N 3.15 -0.67 -0.06 -1.18 0.00 -1.41 -2.38 119.26 116.71 1nw2 h ALA 101 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1nw2 h ALA 101 Cb 0.62 0.87 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1nw2 h ALA 101 CO 0.00 -0.97 -0.58 0.38 0.00 0.00 0.00 179.25 178.08 1nw2 h ASP 102 N -0.51 0.21 0.00 0.00 3.04 -1.83 -2.94 116.42 114.39 1nw2 h ASP 102 Ca 0.07 -0.12 0.00 0.00 -3.24 0.00 0.00 57.03 53.74 1nw2 h ASP 102 Cb 0.64 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 38.87 1nw2 h ASP 102 CO -0.43 0.74 0.00 1.33 -2.04 0.00 0.00 179.24 178.85 1nw2 n VAL 103 N -3.88 0.00 0.01 4.15 0.24 -1.13 -3.18 118.33 114.54 1nw2 n VAL 103 Ca -0.02 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.31 1nw2 n VAL 103 Cb 0.60 -0.49 0.06 0.00 -1.47 0.00 0.00 33.84 32.54 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 -0.97 2.19 0.00 1.34 4.77 -0.91 -5.09 117.00 118.34 1nw2 n LEU 104 Ca 0.21 -1.70 0.00 0.00 -0.03 0.00 0.00 56.01 54.49 1nw2 n LEU 104 Cb 0.10 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1nw2 n LEU 104 CO 0.16 0.53 0.00 0.00 -1.33 0.00 0.00 177.39 176.75