#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ndl h ALA 3 N 0.00 0.31 0.00 0.00 0.00 -2.00 -3.09 119.26 114.48 1ndl h ALA 3 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1ndl h ALA 3 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1ndl h ALA 3 CO 0.00 0.27 0.00 0.09 0.00 0.00 0.00 179.25 179.61 1ndl n ASN 4 N -4.40 0.00 -0.86 0.00 5.03 -1.26 -2.35 115.26 111.42 1ndl n ASN 4 Ca -0.05 -0.17 0.08 0.00 0.87 0.00 0.00 54.58 55.30 1ndl n ASN 4 Cb 0.43 -0.22 0.20 0.00 -1.02 0.00 0.00 39.78 39.17 1ndl n ASN 4 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1ndl n LYS 5 N -1.22 2.73 -1.84 3.52 5.02 -1.17 -3.34 118.16 121.86 1ndl n LYS 5 Ca 0.11 -2.20 -0.38 0.00 -2.02 0.00 0.00 58.31 53.82 1ndl n LYS 5 Cb 0.14 -1.36 0.04 0.00 -0.02 0.00 0.00 35.03 33.83 1ndl n LYS 5 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1ndl s GLU 6 N -1.02 3.00 0.07 1.97 2.12 -0.99 -4.71 118.70 119.14 1ndl s GLU 6 Ca 0.31 2.09 0.07 0.00 0.36 0.00 0.00 54.97 57.80 1ndl s GLU 6 Cb 0.16 -2.10 -0.03 0.00 0.26 0.00 0.00 34.13 32.42 1ndl s GLU 6 CO 0.21 -1.26 -0.18 1.03 -0.54 0.00 0.00 175.26 174.53 1ndl s ARG 7 N -3.09 1.04 0.06 4.30 0.52 -1.26 -1.03 118.95 119.49 1ndl s ARG 7 Ca 0.75 -1.00 0.01 0.00 -0.52 0.00 0.00 55.73 54.97 1ndl s ARG 7 Cb -0.37 -1.16 -0.03 0.00 0.52 0.00 0.00 34.95 33.90 1ndl s ARG 7 CO 0.42 0.27 -0.05 -0.08 0.02 0.00 0.00 175.30 175.88 1ndl s THR 8 N -1.09 0.44 -0.21 0.02 -1.32 -0.68 -4.74 115.64 108.07 1ndl s THR 8 Ca 0.03 -1.58 -0.06 0.00 -1.21 0.00 0.00 61.69 58.87 1ndl s THR 8 Cb -0.09 -1.22 -0.03 0.00 -1.51 0.00 0.00 72.50 69.65 1ndl s THR 8 CO 0.03 -0.76 0.02 0.12 -2.21 0.00 0.00 174.62 171.82 1ndl s PHE 9 N -2.94 3.08 -0.02 9.09 5.36 -1.26 -2.13 117.98 129.16 1ndl s PHE 9 Ca 0.02 -0.36 0.07 0.00 -0.96 0.00 0.00 56.93 55.70 1ndl s PHE 9 Cb 0.01 -2.11 -0.02 0.00 -0.34 0.00 0.00 43.02 40.56 1ndl s PHE 9 CO -0.05 -0.20 -0.23 0.42 -1.46 0.00 0.00 175.22 173.71 1ndl s ILE 10 N 1.01 1.81 -0.03 3.12 1.09 -0.37 -1.23 121.20 126.60 1ndl s ILE 10 Ca 0.02 -0.97 -0.01 0.00 -1.10 0.00 0.00 60.65 58.59 1ndl s ILE 10 Cb -0.14 -1.50 0.03 0.00 -1.06 0.00 0.00 42.46 39.78 1ndl s ILE 10 CO 0.02 0.51 0.05 -0.32 -0.10 0.00 0.00 174.94 175.10 1ndl s MET 11 N -0.50 -0.01 -0.22 2.79 1.75 0.21 0.26 119.30 123.58 1ndl s MET 11 Ca 0.08 0.21 -0.25 0.00 -1.25 0.00 0.00 55.69 54.48 1ndl s MET 11 Cb -0.09 -0.21 -0.01 0.00 2.84 0.00 0.00 34.83 37.36 1ndl s MET 11 CO -0.01 -0.15 0.84 0.08 -0.65 0.00 0.00 175.02 175.13 1ndl s VAL 12 N 0.99 4.85 0.84 10.11 1.01 -0.60 0.48 120.40 138.08 1ndl s VAL 12 Ca -0.08 1.60 -0.12 0.00 0.00 0.00 0.00 61.98 63.38 1ndl s VAL 12 Cb -0.11 -4.13 0.10 0.00 0.00 0.00 0.00 36.38 32.23 1ndl s VAL 12 CO -0.03 -0.04 1.15 -0.54 0.00 0.00 0.00 175.10 175.64 1ndl s LYS 13 N 2.62 1.70 0.33 2.72 1.02 0.10 -2.10 119.74 126.15 1ndl s LYS 13 Ca 0.36 0.24 0.07 0.00 0.02 0.00 0.00 55.97 56.66 1ndl s LYS 13 Cb -0.16 -1.91 0.77 0.00 -0.52 0.00 0.00 37.83 36.01 1ndl s LYS 13 CO 0.09 -1.80 1.84 -1.35 -0.92 0.00 0.00 175.35 173.21 1ndl h PRO 14 N -1.21 0.73 0.00 -1.68 0.11 -1.86 0.06 132.00 128.14 1ndl h PRO 14 Ca -0.48 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 1ndl h PRO 14 Cb 1.32 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1ndl h PRO 14 CO 0.64 0.48 -0.36 0.38 -0.21 0.00 0.00 178.00 178.93 1ndl h ASP 15 N 0.75 0.00 -0.33 -2.05 2.03 -1.89 -0.01 116.42 114.91 1ndl h ASP 15 Ca 0.49 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.64 1ndl h ASP 15 Cb 0.76 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.26 1ndl h ASP 15 CO -0.26 0.36 -0.39 1.23 -1.03 0.00 0.00 179.24 179.15 1ndl h GLY 16 N 1.46 0.93 0.70 7.15 0.00 -1.16 -1.76 103.07 110.40 1ndl h GLY 16 Ca -0.00 -0.99 -0.00 0.00 0.00 0.00 0.00 47.33 46.34 1ndl h GLY 16 CO 0.05 0.89 -0.00 -2.08 0.00 0.00 0.00 176.54 175.40 1ndl h VAL 17 N 0.64 1.23 -0.35 4.60 2.07 -1.04 -1.19 116.25 122.21 1ndl h VAL 17 Ca 0.04 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1ndl h VAL 17 Cb 0.99 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1ndl h VAL 17 CO 0.09 0.18 0.14 1.56 0.02 0.00 0.00 177.57 179.57 1ndl h GLN 18 N -0.31 0.49 -0.54 1.57 1.08 -1.03 -2.83 115.11 113.54 1ndl h GLN 18 Ca -0.00 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1ndl h GLN 18 Cb 0.31 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1ndl h GLN 18 CO 0.00 0.41 0.00 0.54 -0.95 0.00 0.00 178.83 178.83 1ndl n ARG 19 N -4.40 2.26 -3.44 1.46 1.74 -0.66 -4.96 116.66 108.66 1ndl n ARG 19 Ca 0.02 -1.92 -0.19 0.00 -0.77 0.00 0.00 57.85 54.98 1ndl n ARG 19 Cb 0.14 -1.43 0.08 0.00 -1.02 0.00 0.00 32.46 30.23 1ndl n ARG 19 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ndl n GLY 20 N 1.33 -0.39 0.98 -0.13 0.00 -1.07 -4.95 105.19 100.97 1ndl n GLY 20 Ca 0.18 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.44 1ndl n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ndl n LEU 21 N -4.34 3.13 0.06 0.99 4.77 -0.47 -4.70 117.00 116.44 1ndl n LEU 21 Ca -0.14 -1.35 -0.14 0.00 -0.03 0.00 0.00 56.01 54.35 1ndl n LEU 21 Cb 0.61 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 1ndl n LEU 21 CO 0.60 0.64 0.56 0.58 -1.33 0.00 0.00 177.39 178.43 1ndl h VAL 22 N 4.09 0.10 -0.90 4.08 2.07 -1.88 -2.15 116.25 121.65 1ndl h VAL 22 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1ndl h VAL 22 Cb 0.91 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1ndl h VAL 22 CO 0.00 0.00 0.49 1.23 0.02 0.00 0.00 177.57 179.31 1ndl h GLY 23 N -0.62 1.35 0.91 2.17 0.00 -1.97 -1.89 103.07 103.01 1ndl h GLY 23 Ca 0.03 -0.62 0.02 0.00 0.00 0.00 0.00 47.33 46.77 1ndl h GLY 23 CO -0.33 0.59 0.47 0.50 0.00 0.00 0.00 176.54 177.77 1ndl h LYS 24 N 1.27 0.89 0.59 4.80 1.57 -1.81 0.19 116.57 124.08 1ndl h LYS 24 Ca 0.32 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1ndl h LYS 24 Cb 0.03 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.14 1ndl h LYS 24 CO -0.05 0.59 -0.28 0.82 -0.57 0.00 0.00 179.45 179.96 1ndl h ILE 25 N 0.92 0.25 -0.56 1.86 2.04 -1.20 -2.44 117.51 118.37 1ndl h ILE 25 Ca 0.29 -0.35 0.11 0.00 1.00 0.00 0.00 64.86 65.91 1ndl h ILE 25 Cb -0.02 0.33 -0.09 0.00 -0.74 0.00 0.00 36.82 36.31 1ndl h ILE 25 CO -0.10 0.03 0.02 0.40 0.00 0.00 0.00 178.15 178.50 1ndl h ILE 26 N -1.07 0.56 -0.96 -0.67 2.04 -1.20 0.19 117.51 116.40 1ndl h ILE 26 Ca -0.08 -0.05 0.17 0.00 1.00 0.00 0.00 64.86 65.91 1ndl h ILE 26 Cb 0.66 0.41 -0.10 0.00 -0.74 0.00 0.00 36.82 37.06 1ndl h ILE 26 CO 0.13 0.02 0.56 -0.08 0.00 0.00 0.00 178.15 178.79 1ndl h GLU 27 N 0.13 0.72 -0.79 2.37 4.81 -0.56 -1.50 114.58 119.76 1ndl h GLU 27 Ca 0.29 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1ndl h GLU 27 Cb 0.45 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 1ndl h GLU 27 CO -0.46 0.48 0.50 0.00 -0.73 0.00 0.00 179.01 178.79 1ndl h ARG 28 N 0.74 1.06 0.02 1.92 -0.00 -0.45 -0.98 114.38 116.70 1ndl h ARG 28 Ca 0.54 -0.08 -0.14 0.00 -0.50 0.00 0.00 59.98 59.80 1ndl h ARG 28 Cb 0.80 -0.23 0.01 0.00 0.00 0.00 0.00 29.97 30.55 1ndl h ARG 28 CO -0.37 0.73 -0.55 0.74 0.00 0.00 0.00 179.97 180.51 1ndl h PHE 29 N 1.09 0.52 -0.84 3.04 -1.00 -1.21 -3.18 116.94 115.36 1ndl h PHE 29 Ca 0.29 -0.30 0.02 0.00 2.81 0.00 0.00 57.97 60.80 1ndl h PHE 29 Cb -0.08 -0.05 -0.05 0.00 3.61 0.00 0.00 35.95 39.38 1ndl h PHE 29 CO 0.00 1.13 0.54 0.93 -1.61 0.00 0.00 178.31 179.30 1ndl h GLU 30 N -0.24 1.04 -0.34 1.51 5.08 -1.22 -2.75 114.58 117.66 1ndl h GLU 30 Ca -0.08 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 1ndl h GLU 30 Cb 1.30 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1ndl h GLU 30 CO 0.11 0.69 -0.10 1.96 -1.00 0.00 0.00 179.01 180.67 1ndl h GLN 31 N 1.07 0.58 -0.87 2.33 4.20 -1.27 -3.05 115.11 118.10 1ndl h GLN 31 Ca 0.32 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 1ndl h GLN 31 Cb -0.04 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.64 1ndl h GLN 31 CO -0.10 0.67 0.46 -0.22 -0.67 0.00 0.00 178.83 178.97 1ndl h LYS 32 N 0.53 1.23 0.00 1.46 1.63 -1.47 -3.47 116.57 116.48 1ndl h LYS 32 Ca 0.10 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1ndl h LYS 32 Cb 0.49 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 1ndl h LYS 32 CO 0.03 0.91 0.00 0.41 -3.45 0.00 0.00 179.45 177.35 1ndl n GLY 33 N -1.09 0.83 3.80 5.01 0.00 -1.15 -5.13 105.19 107.47 1ndl n GLY 33 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1ndl n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ndl s PHE 34 N -1.75 2.97 -0.18 1.61 0.08 -1.07 -5.02 117.98 114.62 1ndl s PHE 34 Ca 0.00 1.50 -0.03 0.00 0.12 0.00 0.00 56.93 58.53 1ndl s PHE 34 Cb 0.00 -3.01 -0.02 0.00 -0.57 0.00 0.00 43.02 39.43 1ndl s PHE 34 CO 0.00 -1.18 -0.06 0.21 -0.10 0.00 0.00 175.22 174.09 1ndl s LYS 35 N -4.20 3.47 0.07 0.44 2.20 -0.64 -4.53 119.74 116.56 1ndl s LYS 35 Ca 0.63 -0.61 -0.31 0.00 -0.36 0.00 0.00 55.97 55.33 1ndl s LYS 35 Cb -0.16 -2.89 -0.07 0.00 -1.51 0.00 0.00 37.83 33.20 1ndl s LYS 35 CO 0.40 0.03 1.37 -1.17 -0.36 0.00 0.00 175.35 175.62 1ndl s LEU 36 N 0.87 4.35 -0.13 5.43 2.96 -1.26 -0.67 118.68 130.23 1ndl s LEU 36 Ca -0.01 2.22 0.05 0.00 -0.22 0.00 0.00 54.13 56.17 1ndl s LEU 36 Cb -0.15 -3.58 -0.12 0.00 0.50 0.00 0.00 46.19 42.85 1ndl s LEU 36 CO 0.01 -0.65 -0.06 0.52 -1.32 0.00 0.00 176.35 174.85 1ndl n VAL 37 N 4.18 0.83 -3.57 1.68 0.31 -0.27 -4.93 118.33 116.56 1ndl n VAL 37 Ca 0.12 -0.40 -0.17 0.00 -0.01 0.00 0.00 64.34 63.88 1ndl n VAL 37 Cb 0.43 -0.88 -0.07 0.00 -0.91 0.00 0.00 33.84 32.41 1ndl n VAL 37 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ndl s ALA 38 N -2.29 -1.58 -0.21 3.52 0.00 -1.13 -0.22 121.76 119.86 1ndl s ALA 38 Ca -0.14 1.18 -0.24 0.00 0.00 0.00 0.00 51.96 52.77 1ndl s ALA 38 Cb 0.04 -0.07 0.06 0.00 0.00 0.00 0.00 23.12 23.16 1ndl s ALA 38 CO 0.40 -0.35 0.65 -1.17 0.00 0.00 0.00 175.76 175.30 1ndl s LEU 39 N -1.09 -0.49 0.07 0.00 2.96 -1.26 -0.31 118.68 118.56 1ndl s LEU 39 Ca -0.11 1.19 -0.26 0.00 -0.22 0.00 0.00 54.13 54.73 1ndl s LEU 39 Cb -0.01 2.27 0.08 0.00 0.50 0.00 0.00 46.19 49.03 1ndl s LEU 39 CO 0.08 -0.30 0.72 -1.59 -1.32 0.00 0.00 176.35 173.95 1ndl s LYS 40 N 0.05 1.07 -0.16 1.98 -2.85 -1.06 -5.04 119.74 113.73 1ndl s LYS 40 Ca -0.02 -0.33 0.00 0.00 -1.00 0.00 0.00 55.97 54.63 1ndl s LYS 40 Cb -0.04 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.23 1ndl s LYS 40 CO 0.02 -0.46 -0.16 0.12 0.10 0.00 0.00 175.35 174.98 1ndl s PHE 41 N -3.21 2.78 0.21 1.78 5.36 -1.26 -2.93 117.98 120.71 1ndl s PHE 41 Ca 0.01 -1.18 -0.20 0.00 -0.96 0.00 0.00 56.93 54.60 1ndl s PHE 41 Cb -0.01 -1.91 0.04 0.00 -0.34 0.00 0.00 43.02 40.80 1ndl s PHE 41 CO -0.09 -0.56 0.61 -0.08 -1.46 0.00 0.00 175.22 173.64 1ndl s THR 42 N 0.97 0.01 -0.36 0.12 -1.32 -0.45 -5.02 115.64 109.58 1ndl s THR 42 Ca -0.03 -0.63 -0.12 0.00 -1.21 0.00 0.00 61.69 59.70 1ndl s THR 42 Cb -0.15 -1.56 0.01 0.00 -1.51 0.00 0.00 72.50 69.29 1ndl s THR 42 CO -0.03 -0.04 0.22 0.86 -2.21 0.00 0.00 174.62 173.42 1ndl s TRP 43 N -3.86 3.23 0.09 9.09 -0.11 -1.26 0.11 118.94 126.23 1ndl s TRP 43 Ca 0.08 -0.70 -0.28 0.00 1.22 0.00 0.00 56.10 56.42 1ndl s TRP 43 Cb -0.03 -2.46 -0.06 0.00 -1.50 0.00 0.00 33.47 29.43 1ndl s TRP 43 CO -0.02 -0.55 0.88 0.00 -4.62 0.00 0.00 176.95 172.64 1ndl s ALA 44 N 1.62 3.30 0.88 5.86 0.00 -1.26 -4.99 121.76 127.16 1ndl s ALA 44 Ca 0.04 0.46 -0.12 0.00 0.00 0.00 0.00 51.96 52.34 1ndl s ALA 44 Cb -0.18 -3.16 0.12 0.00 0.00 0.00 0.00 23.12 19.89 1ndl s ALA 44 CO 0.08 0.02 1.11 -1.54 0.00 0.00 0.00 175.76 175.42 1ndl s SER 45 N -0.05 3.73 0.28 0.00 1.04 -1.26 -4.59 113.70 112.85 1ndl s SER 45 Ca 0.43 1.21 0.11 0.00 0.48 0.00 0.00 55.95 58.19 1ndl s SER 45 Cb -0.22 -1.88 0.40 0.00 0.10 0.00 0.00 66.02 64.42 1ndl s SER 45 CO 0.27 -2.44 1.63 0.11 0.98 0.00 0.00 173.24 173.79 1ndl h LYS 46 N -1.42 0.00 -0.18 4.02 1.57 -1.97 -1.63 116.57 116.97 1ndl h LYS 46 Ca -0.50 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.32 1ndl h LYS 46 Cb 1.30 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.57 1ndl h LYS 46 CO 0.59 0.59 -0.06 0.93 -0.57 0.00 0.00 179.45 180.93 1ndl h GLU 47 N 0.00 -0.03 -0.07 3.15 3.07 -1.99 0.90 114.58 119.62 1ndl h GLU 47 Ca -0.01 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.79 1ndl h GLU 47 Cb 1.05 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 1ndl h GLU 47 CO 0.08 -0.02 -0.21 1.25 -1.40 0.00 0.00 179.01 178.71 1ndl h LEU 48 N -0.03 0.30 -0.58 1.33 5.85 -1.90 -3.01 115.31 117.27 1ndl h LEU 48 Ca 0.09 -0.61 0.04 0.00 0.84 0.00 0.00 57.88 58.24 1ndl h LEU 48 Cb 0.17 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1ndl h LEU 48 CO -0.20 0.86 0.34 -0.07 -0.34 0.00 0.00 178.44 179.03 1ndl h LEU 49 N -0.24 0.53 -1.02 2.25 3.38 -0.85 0.38 115.31 119.74 1ndl h LEU 49 Ca -0.01 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1ndl h LEU 49 Cb 0.83 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 1ndl h LEU 49 CO 0.04 0.36 0.66 -0.33 0.09 0.00 0.00 178.44 179.27 1ndl h GLU 50 N 0.65 1.29 -0.14 1.13 5.08 0.77 0.34 114.58 123.71 1ndl h GLU 50 Ca 0.24 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1ndl h GLU 50 Cb 0.07 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1ndl h GLU 50 CO -0.13 0.85 0.06 0.87 -1.00 0.00 0.00 179.01 179.67 1ndl h LYS 51 N 1.32 0.21 -0.58 2.33 1.57 -1.25 0.27 116.57 120.45 1ndl h LYS 51 Ca 0.38 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.14 1ndl h LYS 51 Cb -0.10 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1ndl h LYS 51 CO -0.10 0.29 0.36 1.25 -0.57 0.00 0.00 179.45 180.68 1ndl h HIS 52 N 0.08 0.68 -0.65 -1.35 2.76 -0.30 -2.80 115.15 113.58 1ndl h HIS 52 Ca 0.05 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1ndl h HIS 52 Cb 0.15 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 28.89 1ndl h HIS 52 CO -0.02 0.40 0.00 0.66 -1.30 0.00 0.00 177.93 177.67 1ndl n TYR 53 N -4.73 0.87 -0.26 5.26 4.01 0.12 -4.71 117.16 117.71 1ndl n TYR 53 Ca 0.05 -0.43 0.26 0.00 -0.16 0.00 0.00 57.90 57.61 1ndl n TYR 53 Cb 0.06 -0.00 0.47 0.00 -0.31 0.00 0.00 39.34 39.56 1ndl n TYR 53 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ndl n ALA 54 N 1.40 0.82 0.30 -0.72 0.00 0.95 0.12 120.51 123.38 1ndl n ALA 54 Ca 0.22 0.83 0.18 0.00 0.00 0.00 0.00 53.44 54.66 1ndl n ALA 54 Cb 0.55 -0.82 0.96 0.00 0.00 0.00 0.00 19.45 20.14 1ndl n ALA 54 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ndl h ASP 55 N 0.00 0.00 -0.71 0.00 5.19 -1.85 -2.61 116.42 116.44 1ndl h ASP 55 Ca 0.68 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.09 1ndl h ASP 55 Cb 1.80 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.31 1ndl h ASP 55 CO -0.63 0.03 0.00 0.18 -3.12 0.00 0.00 179.24 175.70 1ndl n LEU 56 N -3.44 4.24 -0.34 1.55 4.77 0.12 -4.64 117.00 119.27 1ndl n LEU 56 Ca -0.02 -2.13 0.17 0.00 -0.03 0.00 0.00 56.01 54.00 1ndl n LEU 56 Cb 0.14 -0.53 0.37 0.00 -2.33 0.00 0.00 43.42 41.07 1ndl n LEU 56 CO 0.25 0.92 1.14 0.28 -1.33 0.00 0.00 177.39 178.65 1ndl h SER 57 N 4.24 0.60 0.75 -1.43 0.02 -1.56 -0.89 113.55 115.28 1ndl h SER 57 Ca 0.00 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1ndl h SER 57 Cb 1.16 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1ndl h SER 57 CO 0.09 0.08 -0.13 0.00 -1.14 0.00 0.00 176.83 175.72 1ndl n ALA 58 N -2.35 2.68 -1.76 3.77 0.00 -1.26 -4.87 120.51 116.72 1ndl n ALA 58 Ca 0.26 -0.19 -0.40 0.00 0.00 0.00 0.00 53.44 53.11 1ndl n ALA 58 Cb 0.73 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.75 1ndl n ALA 58 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ndl s ARG 59 N -2.88 4.81 0.54 0.00 1.81 -0.34 -4.97 118.95 117.93 1ndl s ARG 59 Ca 0.17 1.55 0.30 0.00 -1.72 0.00 0.00 55.73 56.03 1ndl s ARG 59 Cb 0.19 -3.26 1.51 0.00 -0.45 0.00 0.00 34.95 32.93 1ndl s ARG 59 CO 0.55 0.45 2.08 -1.00 -0.68 0.00 0.00 175.30 176.70 1ndl h PRO 60 N 4.10 0.00 -0.05 3.54 0.14 -1.89 -2.50 132.00 135.34 1ndl h PRO 60 Ca -0.45 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.69 1ndl h PRO 60 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.34 1ndl h PRO 60 CO 0.68 0.10 0.00 1.97 0.14 0.00 0.00 178.00 180.89 1ndl n PHE 61 N -3.50 0.04 0.13 1.56 1.16 -1.26 -4.46 117.46 111.13 1ndl n PHE 61 Ca -0.01 -0.02 -0.15 0.00 -1.87 0.00 0.00 57.45 55.40 1ndl n PHE 61 Cb 0.24 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.03 1ndl n PHE 61 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1ndl h PHE 62 N 2.88 -1.21 -0.12 2.97 3.57 -1.67 -1.58 116.94 121.77 1ndl h PHE 62 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1ndl h PHE 62 Cb 0.61 0.51 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 1ndl h PHE 62 CO 0.02 -0.53 0.04 -1.35 -2.23 0.00 0.00 178.31 174.25 1ndl h PRO 63 N -0.69 0.17 0.08 6.41 0.11 -1.80 -2.00 132.00 134.28 1ndl h PRO 63 Ca 0.01 -0.02 -0.25 0.00 0.11 0.00 0.00 66.00 65.85 1ndl h PRO 63 Cb 0.70 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1ndl h PRO 63 CO -0.23 0.16 -1.12 0.78 -0.21 0.00 0.00 178.00 177.37 1ndl h GLY 64 N 0.29 0.34 0.87 -0.55 0.00 -1.80 -2.32 103.07 99.90 1ndl h GLY 64 Ca 0.04 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 1ndl h GLY 64 CO -0.00 0.67 -0.10 -2.00 0.00 0.00 0.00 176.54 175.11 1ndl h LEU 65 N 0.12 -0.23 -0.71 3.11 5.85 -1.05 0.69 115.31 123.09 1ndl h LEU 65 Ca -0.11 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.53 1ndl h LEU 65 Cb 1.82 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.87 1ndl h LEU 65 CO 0.19 -0.05 0.46 0.58 -0.34 0.00 0.00 178.44 179.28 1ndl h VAL 66 N -0.40 1.15 -0.35 1.05 2.07 -1.46 0.32 116.25 118.63 1ndl h VAL 66 Ca -0.03 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.12 1ndl h VAL 66 Cb 0.31 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1ndl h VAL 66 CO 0.05 0.17 0.00 0.78 0.02 0.00 0.00 177.57 178.59 1ndl h ASN 67 N 0.93 0.61 0.04 0.57 2.35 -1.07 -2.53 115.58 116.47 1ndl h ASN 67 Ca 0.27 -0.30 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1ndl h ASN 67 Cb -0.06 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.14 1ndl h ASN 67 CO -0.08 0.76 -0.02 0.22 -1.65 0.00 0.00 177.43 176.67 1ndl h TYR 68 N 0.44 -0.04 0.00 1.19 3.20 0.94 -2.82 116.97 119.87 1ndl h TYR 68 Ca 0.10 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1ndl h TYR 68 Cb 0.45 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1ndl h TYR 68 CO 0.04 0.15 0.00 0.52 -1.64 0.00 0.00 178.16 177.23 1ndl h MET 69 N -0.23 0.00 -0.46 1.82 2.86 -0.35 0.15 114.93 118.73 1ndl h MET 69 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ndl h MET 69 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1ndl h MET 69 CO 0.01 0.00 0.00 -1.71 1.06 0.00 0.00 176.91 176.27 1ndl n ASN 70 N -2.87 3.37 -0.53 1.22 2.85 -0.96 -4.36 115.26 113.98 1ndl n ASN 70 Ca -0.02 -1.97 0.11 0.00 -0.11 0.00 0.00 54.58 52.59 1ndl n ASN 70 Cb 0.07 -0.30 0.42 0.00 1.24 0.00 0.00 39.78 41.21 1ndl n ASN 70 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1ndl n SER 71 N 1.40 1.60 -3.70 1.20 3.41 0.54 -4.93 113.62 113.14 1ndl n SER 71 Ca 0.20 -1.65 -0.04 0.00 -0.26 0.00 0.00 58.87 57.13 1ndl n SER 71 Cb 0.58 -0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 64.44 1ndl n SER 71 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ndl s GLY 72 N -1.68 -0.29 0.73 5.00 0.00 -1.26 -5.10 107.32 104.72 1ndl s GLY 72 Ca 0.34 0.33 -0.12 0.00 0.00 0.00 0.00 44.72 45.26 1ndl s GLY 72 CO 0.28 0.07 1.11 -4.14 0.00 0.00 0.00 173.10 170.42 1ndl s PRO 73 N -3.18 2.41 0.23 2.90 0.02 -1.26 -4.59 135.00 131.53 1ndl s PRO 73 Ca 0.11 1.30 0.08 0.00 0.02 0.00 0.00 61.00 62.51 1ndl s PRO 73 Cb -0.01 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.56 1ndl s PRO 73 CO -0.00 -1.54 -0.13 0.14 -0.33 0.00 0.00 177.00 175.13 1ndl s VAL 74 N -2.63 1.81 -0.58 3.83 -7.23 0.12 -3.90 120.40 111.83 1ndl s VAL 74 Ca 0.64 -2.22 0.04 0.00 -1.81 0.00 0.00 61.98 58.63 1ndl s VAL 74 Cb -0.19 -2.16 0.16 0.00 0.56 0.00 0.00 36.38 34.75 1ndl s VAL 74 CO 0.50 -0.51 0.38 -0.69 -0.31 0.00 0.00 175.10 174.47 1ndl s VAL 75 N -2.92 2.15 0.42 1.32 1.01 -0.89 -1.34 120.40 120.14 1ndl s VAL 75 Ca 0.25 -3.54 -0.23 0.00 0.00 0.00 0.00 61.98 58.46 1ndl s VAL 75 Cb -0.00 -2.44 -0.09 0.00 0.00 0.00 0.00 36.38 33.84 1ndl s VAL 75 CO 0.09 -0.99 1.04 -2.16 0.00 0.00 0.00 175.10 173.08 1ndl s PRO 76 N -0.68 4.08 0.18 2.72 0.04 -1.15 -1.55 135.00 138.63 1ndl s PRO 76 Ca 0.24 1.47 -0.19 0.00 0.04 0.00 0.00 61.00 62.55 1ndl s PRO 76 Cb -0.10 -2.42 0.04 0.00 0.04 0.00 0.00 34.50 32.06 1ndl s PRO 76 CO -0.11 -0.21 0.55 0.00 0.04 0.00 0.00 177.00 177.26 1ndl s MET 77 N -2.69 1.33 -0.06 4.56 0.23 0.14 -2.56 119.30 120.25 1ndl s MET 77 Ca 0.60 -0.71 0.03 0.00 -1.03 0.00 0.00 55.69 54.58 1ndl s MET 77 Cb -0.20 0.54 0.00 0.00 -1.53 0.00 0.00 34.83 33.65 1ndl s MET 77 CO 0.25 -0.57 -0.15 0.08 -2.03 0.00 0.00 175.02 172.60 1ndl s VAL 78 N -3.82 1.33 0.11 5.16 1.01 0.58 -1.24 120.40 123.53 1ndl s VAL 78 Ca 0.05 -0.63 0.10 0.00 0.00 0.00 0.00 61.98 61.51 1ndl s VAL 78 Cb -0.01 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1ndl s VAL 78 CO -0.07 0.39 -0.25 0.26 0.00 0.00 0.00 175.10 175.43 1ndl s TRP 79 N 0.33 2.36 0.05 5.22 0.52 -0.90 -1.11 118.94 125.40 1ndl s TRP 79 Ca -0.10 -0.36 0.06 0.00 0.02 0.00 0.00 56.10 55.72 1ndl s TRP 79 Cb -0.14 -1.30 -0.02 0.00 -1.15 0.00 0.00 33.47 30.86 1ndl s TRP 79 CO 0.03 0.30 -0.17 -2.00 0.02 0.00 0.00 176.95 175.14 1ndl s GLU 80 N -1.89 1.08 0.00 4.98 2.12 0.15 -1.69 118.70 123.45 1ndl s GLU 80 Ca 0.14 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.63 1ndl s GLU 80 Cb -0.10 -1.14 0.00 0.00 0.26 0.00 0.00 34.13 33.15 1ndl s GLU 80 CO 0.06 0.28 0.00 0.41 -0.54 0.00 0.00 175.26 175.47 1ndl n GLY 81 N 1.81 1.82 3.69 -1.50 0.00 -0.20 -1.62 105.19 109.20 1ndl n GLY 81 Ca -0.18 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 1ndl n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ndl s LEU 82 N 0.00 4.39 -1.30 0.99 2.96 -1.24 -2.68 118.68 121.80 1ndl s LEU 82 Ca 0.00 2.70 -0.00 0.00 -0.22 0.00 0.00 54.13 56.61 1ndl s LEU 82 Cb 0.00 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.12 1ndl s LEU 82 CO 0.00 -0.97 0.03 -3.20 -1.32 0.00 0.00 176.35 170.89 1ndl n ASN 83 N 5.57 -4.57 0.20 3.68 5.15 -1.26 -4.90 115.26 119.14 1ndl n ASN 83 Ca 0.17 0.10 0.15 0.00 -0.60 0.00 0.00 54.58 54.41 1ndl n ASN 83 Cb 0.39 -3.84 0.79 0.00 -0.53 0.00 0.00 39.78 36.58 1ndl n ASN 83 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 1ndl h VAL 84 N -0.06 0.62 0.06 3.44 3.04 -1.80 -0.25 116.25 121.29 1ndl h VAL 84 Ca -0.36 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.32 1ndl h VAL 84 Cb 1.27 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 1ndl h VAL 84 CO 0.43 0.00 -0.03 0.58 -1.01 0.00 0.00 177.57 177.54 1ndl h VAL 85 N 0.00 1.21 0.02 1.51 2.07 -1.88 -0.19 116.25 118.99 1ndl h VAL 85 Ca 0.08 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 1ndl h VAL 85 Cb 0.38 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1ndl h VAL 85 CO -0.00 0.25 -0.01 0.50 0.02 0.00 0.00 177.57 178.32 1ndl h LYS 86 N -0.54 -0.03 -0.43 1.57 3.64 -1.80 -1.86 116.57 117.13 1ndl h LYS 86 Ca -0.01 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1ndl h LYS 86 Cb 0.47 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1ndl h LYS 86 CO 0.01 0.43 0.24 1.15 -2.27 0.00 0.00 179.45 179.01 1ndl h THR 87 N -0.50 1.02 -0.67 1.00 2.02 -1.15 -1.45 112.91 113.18 1ndl h THR 87 Ca -0.00 -0.17 0.12 0.00 0.77 0.00 0.00 66.41 67.13 1ndl h THR 87 Cb 0.47 0.49 -0.09 0.00 -1.74 0.00 0.00 68.15 67.29 1ndl h THR 87 CO 0.01 0.09 0.23 1.23 0.37 0.00 0.00 175.52 177.45 1ndl h GLY 88 N 0.49 0.96 1.15 2.16 0.00 -1.05 0.13 103.07 106.89 1ndl h GLY 88 Ca 0.18 -0.11 -0.11 0.00 0.00 0.00 0.00 47.33 47.29 1ndl h GLY 88 CO -0.09 -0.08 -0.10 3.21 0.00 0.00 0.00 176.54 179.47 1ndl h ARG 89 N 0.38 1.00 -0.50 4.80 2.47 -0.68 -2.33 114.38 119.52 1ndl h ARG 89 Ca 0.36 -0.36 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1ndl h ARG 89 Cb 0.51 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.74 1ndl h ARG 89 CO -0.38 1.04 0.21 0.37 0.56 0.00 0.00 179.97 181.78 1ndl h GLN 90 N 0.89 0.74 -0.49 0.04 4.15 0.06 -2.52 115.11 117.97 1ndl h GLN 90 Ca 0.14 -0.13 -0.06 0.00 0.77 0.00 0.00 58.65 59.38 1ndl h GLN 90 Cb 0.66 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.20 1ndl h GLN 90 CO 0.05 0.64 0.07 0.52 -1.93 0.00 0.00 178.83 178.18 1ndl h MET 91 N 0.67 0.77 0.00 1.69 2.86 -0.64 -2.89 114.93 117.40 1ndl h MET 91 Ca 0.17 -0.18 -0.15 0.00 -2.06 0.00 0.00 59.70 57.48 1ndl h MET 91 Cb 0.17 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1ndl h MET 91 CO -0.02 0.74 -0.71 -0.07 1.06 0.00 0.00 176.91 177.91 1ndl h LEU 92 N 0.74 0.00 0.00 1.22 3.38 -1.31 -0.49 115.31 118.84 1ndl h LEU 92 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ndl h LEU 92 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1ndl h LEU 92 CO 0.01 0.71 0.00 0.61 0.09 0.00 0.00 178.44 179.86 1ndl n GLY 93 N 0.83 -0.43 3.53 0.83 0.00 -0.96 -1.40 105.19 107.58 1ndl n GLY 93 Ca -0.00 -1.74 -0.40 0.00 0.00 0.00 0.00 46.02 43.88 1ndl n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ndl n ALA 94 N -0.38 -0.61 -0.31 4.61 0.00 -1.26 -4.87 120.51 117.69 1ndl n ALA 94 Ca 0.00 0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.61 1ndl n ALA 94 Cb 0.00 -1.94 0.22 0.00 0.00 0.00 0.00 19.45 17.73 1ndl n ALA 94 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1ndl h THR 95 N 0.83 0.81 -3.57 0.00 2.02 -1.95 -3.37 112.91 107.67 1ndl h THR 95 Ca -0.44 -0.26 -0.62 0.00 0.77 0.00 0.00 66.41 65.86 1ndl h THR 95 Cb 1.37 -0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.66 1ndl h THR 95 CO 0.52 0.14 0.34 0.21 0.37 0.00 0.00 175.52 177.09 1ndl s ASN 96 N -5.52 6.48 0.51 4.18 2.47 -1.26 -4.79 114.94 117.02 1ndl s ASN 96 Ca -0.12 0.14 0.32 0.00 0.42 0.00 0.00 52.86 53.62 1ndl s ASN 96 Cb 0.21 -2.38 1.45 0.00 -1.45 0.00 0.00 41.25 39.08 1ndl s ASN 96 CO 0.79 -0.79 1.83 -0.65 -3.72 0.00 0.00 177.10 174.55 1ndl h PRO 97 N 8.68 0.07 0.00 0.43 0.11 -1.80 0.18 132.00 139.67 1ndl h PRO 97 Ca -0.25 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 1ndl h PRO 97 Cb 1.09 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1ndl h PRO 97 CO 0.92 0.05 -0.04 0.00 -0.21 0.00 0.00 178.00 178.72 1ndl h ALA 98 N 1.49 1.45 0.00 -0.75 0.00 -1.89 -1.45 119.26 118.11 1ndl h ALA 98 Ca 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1ndl h ALA 98 Cb 1.94 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1ndl h ALA 98 CO -0.06 0.06 -1.52 -0.25 0.00 0.00 0.00 179.25 177.48 1ndl n ASP 99 N -3.79 0.45 -4.77 0.00 8.00 0.61 -4.97 116.55 112.07 1ndl n ASP 99 Ca -0.03 -0.39 -0.40 0.00 0.71 0.00 0.00 54.79 54.68 1ndl n ASP 99 Cb 0.14 1.49 0.00 0.00 -0.02 0.00 0.00 41.12 42.73 1ndl n ASP 99 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ndl s SER 100 N -3.90 6.23 0.29 -2.24 0.01 -0.55 -4.72 113.70 108.82 1ndl s SER 100 Ca -0.01 2.79 -0.09 0.00 1.31 0.00 0.00 55.95 59.96 1ndl s SER 100 Cb 0.15 -2.65 -0.07 0.00 0.21 0.00 0.00 66.02 63.66 1ndl s SER 100 CO 0.88 -0.92 0.61 -0.76 0.41 0.00 0.00 173.24 173.46 1ndl s LEU 101 N -2.41 4.07 0.39 2.44 1.43 -1.26 -4.66 118.68 118.68 1ndl s LEU 101 Ca 0.57 0.94 -0.26 0.00 -1.03 0.00 0.00 54.13 54.35 1ndl s LEU 101 Cb -0.41 -3.75 -0.11 0.00 0.03 0.00 0.00 46.19 41.95 1ndl s LEU 101 CO 0.54 -0.18 1.25 -2.65 0.23 0.00 0.00 176.35 175.54 1ndl n PRO 102 N -0.58 1.95 0.00 1.29 -0.02 -1.26 -2.06 135.00 134.31 1ndl n PRO 102 Ca 0.01 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1ndl n PRO 102 Cb 0.53 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1ndl n PRO 102 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ndl n GLY 103 N 0.83 1.74 3.95 -1.23 0.00 -1.26 -4.96 105.19 104.25 1ndl n GLY 103 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1ndl n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ndl s THR 104 N -2.02 2.26 0.01 2.61 -4.23 -0.87 -4.93 115.64 108.47 1ndl s THR 104 Ca 0.00 -0.34 -0.26 0.00 -1.18 0.00 0.00 61.69 59.92 1ndl s THR 104 Cb 0.00 -2.92 -0.14 0.00 1.34 0.00 0.00 72.50 70.77 1ndl s THR 104 CO 0.00 0.00 1.08 0.40 -0.54 0.00 0.00 174.62 175.56 1ndl h ILE 105 N -0.63 0.08 -0.50 2.99 2.04 -1.09 -2.51 117.51 117.89 1ndl h ILE 105 Ca -0.43 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.11 1ndl h ILE 105 Cb 1.30 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 1ndl h ILE 105 CO 0.53 0.01 0.27 0.03 0.00 0.00 0.00 178.15 178.99 1ndl h ARG 106 N -1.19 0.51 -0.62 2.37 3.08 -1.51 -1.33 114.38 115.70 1ndl h ARG 106 Ca -0.09 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.06 1ndl h ARG 106 Cb 0.68 -0.11 -0.09 0.00 0.08 0.00 0.00 29.97 30.52 1ndl h ARG 106 CO 0.14 0.34 0.10 0.78 -1.07 0.00 0.00 179.97 180.26 1ndl h GLY 107 N 0.52 0.77 1.51 0.04 0.00 -1.75 -0.82 103.07 103.34 1ndl h GLY 107 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.29 1ndl h GLY 107 CO -0.13 -0.15 -1.34 -0.55 0.00 0.00 0.00 176.54 174.37 1ndl h ASP 108 N 0.22 0.07 -0.05 0.19 3.32 -1.14 -3.42 116.42 115.60 1ndl h ASP 108 Ca 0.33 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1ndl h ASP 108 Cb 0.52 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1ndl h ASP 108 CO -0.45 1.08 0.00 0.49 -1.72 0.00 0.00 179.24 178.64 1ndl n PHE 109 N -3.26 0.06 -3.95 4.55 3.72 -0.53 -5.06 117.46 112.99 1ndl n PHE 109 Ca -0.09 -0.11 -0.09 0.00 -0.05 0.00 0.00 57.45 57.11 1ndl n PHE 109 Cb 1.00 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 39.48 1ndl n PHE 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ndl n ILE 111 N -0.36 0.00 -4.52 0.00 5.41 -1.26 -4.70 119.36 113.93 1ndl n ILE 111 Ca -0.04 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.41 1ndl n ILE 111 Cb 0.62 -0.49 -0.12 0.00 -0.71 0.00 0.00 39.64 38.93 1ndl n ILE 111 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1ndl s GLN 112 N -1.92 1.88 0.37 0.38 0.74 -1.26 -4.06 119.66 115.79 1ndl s GLN 112 Ca 0.00 -1.10 0.11 0.00 0.05 0.00 0.00 55.36 54.42 1ndl s GLN 112 Cb 0.00 -2.12 0.89 0.00 1.10 0.00 0.00 33.01 32.88 1ndl s GLN 112 CO 0.00 0.51 1.85 -0.24 -0.55 0.00 0.00 175.29 176.86 1ndl h VAL 113 N 3.81 0.77 0.00 1.34 3.04 -1.94 0.36 116.25 123.64 1ndl h VAL 113 Ca -0.49 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 64.99 1ndl h VAL 113 Cb 1.16 0.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 1ndl h VAL 113 CO 0.46 0.11 0.00 0.61 -1.01 0.00 0.00 177.57 177.74 1ndl n GLY 114 N -1.44 -1.17 2.25 3.17 0.00 -1.26 -3.69 105.19 103.05 1ndl n GLY 114 Ca 0.19 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 1ndl n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ndl n ARG 115 N -1.31 1.12 -1.10 1.61 5.12 0.11 -4.96 116.66 117.25 1ndl n ARG 115 Ca 0.12 -3.49 -0.15 0.00 -1.93 0.00 0.00 57.85 52.40 1ndl n ARG 115 Cb 0.22 -1.62 0.23 0.00 -1.16 0.00 0.00 32.46 30.13 1ndl n ARG 115 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1ndl n ASN 116 N 0.59 4.05 0.00 0.55 6.94 -1.16 -4.29 115.26 121.94 1ndl n ASN 116 Ca 0.24 -3.47 0.00 0.00 -0.02 0.00 0.00 54.58 51.33 1ndl n ASN 116 Cb 0.59 -0.78 0.00 0.00 -2.36 0.00 0.00 39.78 37.23 1ndl n ASN 116 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1ndl n ILE 117 N -0.76 0.00 -3.89 1.53 -5.35 -1.26 -4.77 119.36 104.85 1ndl n ILE 117 Ca 0.50 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.89 1ndl n ILE 117 Cb 1.50 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 39.32 1ndl n ILE 117 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1ndl s ILE 118 N 0.00 0.14 -0.06 7.28 2.07 -1.26 0.02 121.20 129.39 1ndl s ILE 118 Ca 0.00 -1.16 0.04 0.00 -1.41 0.00 0.00 60.65 58.12 1ndl s ILE 118 Cb 0.00 -1.20 0.00 0.00 0.13 0.00 0.00 42.46 41.39 1ndl s ILE 118 CO 0.00 -0.64 -0.18 -2.28 -1.91 0.00 0.00 174.94 169.93 1ndl s HIS 119 N -3.40 1.88 -0.02 3.50 5.65 0.18 -4.87 115.29 118.21 1ndl s HIS 119 Ca 0.01 -0.63 0.01 0.00 0.25 0.00 0.00 55.06 54.70 1ndl s HIS 119 Cb 0.03 -1.28 0.01 0.00 -1.18 0.00 0.00 32.58 30.16 1ndl s HIS 119 CO -0.08 -0.25 -0.03 0.20 -0.65 0.00 0.00 174.74 173.93 1ndl s GLY 120 N 0.22 0.26 0.29 1.59 0.00 -1.26 0.67 107.32 109.10 1ndl s GLY 120 Ca -0.09 -0.03 -0.30 0.00 0.00 0.00 0.00 44.72 44.30 1ndl s GLY 120 CO 0.04 0.22 1.47 1.44 0.00 0.00 0.00 173.10 176.27 1ndl n SER 121 N 3.58 3.31 -0.16 1.64 7.64 -0.37 -4.92 113.62 124.34 1ndl n SER 121 Ca -0.20 1.16 -0.08 0.00 1.01 0.00 0.00 58.87 60.76 1ndl n SER 121 Cb 0.54 -1.52 0.01 0.00 -1.01 0.00 0.00 64.21 62.23 1ndl n SER 121 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1ndl h ASP 122 N 4.03 0.63 -5.08 6.43 3.58 -1.92 -3.45 116.42 120.64 1ndl h ASP 122 Ca -0.47 -0.13 0.13 0.00 0.42 0.00 0.00 57.03 56.98 1ndl h ASP 122 Cb 1.25 -0.16 -0.10 0.00 1.72 0.00 0.00 39.33 42.05 1ndl h ASP 122 CO 0.74 0.58 0.42 0.00 -2.88 0.00 0.00 179.24 178.09 1ndl s ALA 123 N -5.71 -1.62 0.25 -0.78 0.00 -1.26 -4.94 121.76 107.69 1ndl s ALA 123 Ca -0.13 0.30 -0.03 0.00 0.00 0.00 0.00 51.96 52.11 1ndl s ALA 123 Cb 0.11 0.64 0.47 0.00 0.00 0.00 0.00 23.12 24.34 1ndl s ALA 123 CO 0.76 -0.93 1.78 0.28 0.00 0.00 0.00 175.76 177.64 1ndl h VAL 124 N 2.00 0.79 -0.56 0.00 2.07 -1.92 0.25 116.25 118.88 1ndl h VAL 124 Ca -0.24 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 1ndl h VAL 124 Cb 1.24 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1ndl h VAL 124 CO 0.28 0.12 0.07 -0.33 0.02 0.00 0.00 177.57 177.72 1ndl h GLU 125 N 0.66 0.95 0.00 1.57 3.07 -1.97 -1.20 114.58 117.66 1ndl h GLU 125 Ca 0.43 -0.27 -0.13 0.00 -0.50 0.00 0.00 59.36 58.89 1ndl h GLU 125 Cb 0.53 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 1ndl h GLU 125 CO -0.32 0.92 -0.61 0.66 -1.40 0.00 0.00 179.01 178.26 1ndl h SER 126 N 0.84 0.00 -0.18 1.42 4.64 -1.76 -2.93 113.55 115.58 1ndl h SER 126 Ca 0.17 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 1ndl h SER 126 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1ndl h SER 126 CO 0.02 0.61 0.07 0.00 -0.87 0.00 0.00 176.83 176.66 1ndl h ALA 127 N 1.39 0.24 -0.87 5.18 0.00 -0.22 0.98 119.26 125.96 1ndl h ALA 127 Ca -0.01 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1ndl h ALA 127 Cb 1.39 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1ndl h ALA 127 CO 0.08 -0.17 0.56 0.93 0.00 0.00 0.00 179.25 180.65 1ndl h GLU 128 N 0.15 1.07 -0.27 0.00 5.08 -1.21 0.31 114.58 119.71 1ndl h GLU 128 Ca 0.06 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1ndl h GLU 128 Cb 0.17 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1ndl h GLU 128 CO -0.01 0.71 -0.11 0.87 -1.00 0.00 0.00 179.01 179.47 1ndl h LYS 129 N 1.10 0.54 -0.37 2.33 1.57 -1.30 -2.62 116.57 117.81 1ndl h LYS 129 Ca 0.34 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1ndl h LYS 129 Cb -0.02 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1ndl h LYS 129 CO -0.11 0.78 0.20 0.93 -0.57 0.00 0.00 179.45 180.68 1ndl h GLU 130 N 0.28 0.53 -0.93 3.15 5.08 -0.26 -1.42 114.58 121.01 1ndl h GLU 130 Ca 0.06 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1ndl h GLU 130 Cb 0.61 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 1ndl h GLU 130 CO 0.03 0.44 0.54 0.82 -1.00 0.00 0.00 179.01 179.84 1ndl h ILE 131 N 0.47 1.26 -0.12 3.13 2.04 -0.39 -1.93 117.51 121.97 1ndl h ILE 131 Ca 0.13 -0.60 -0.09 0.00 1.00 0.00 0.00 64.86 65.29 1ndl h ILE 131 Cb 0.07 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 1ndl h ILE 131 CO -0.02 0.28 -0.33 0.00 0.00 0.00 0.00 178.15 178.08 1ndl h ALA 132 N 1.30 1.21 -0.05 1.87 0.00 -1.21 -0.79 119.26 121.59 1ndl h ALA 132 Ca 0.33 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ndl h ALA 132 Cb -0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ndl h ALA 132 CO -0.06 0.53 -0.08 1.25 0.00 0.00 0.00 179.25 180.90 1ndl h LEU 133 N 0.21 0.15 0.00 0.00 6.46 -0.88 -3.36 115.31 117.89 1ndl h LEU 133 Ca 0.03 -0.54 -0.17 0.00 -0.12 0.00 0.00 57.88 57.08 1ndl h LEU 133 Cb 0.70 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.56 1ndl h LEU 133 CO 0.05 0.66 -0.97 -0.50 -0.62 0.00 0.00 178.44 177.07 1ndl h TRP 134 N -0.36 0.00 -3.91 1.25 4.06 -1.32 -3.47 115.95 112.20 1ndl h TRP 134 Ca 0.00 0.00 -0.44 0.00 2.06 0.00 0.00 58.89 60.52 1ndl h TRP 134 Cb 0.63 0.00 -0.21 0.00 -1.00 0.00 0.00 29.16 28.58 1ndl h TRP 134 CO 0.11 0.73 -0.79 -0.06 -3.56 0.00 0.00 178.44 174.87 1ndl s PHE 135 N -2.83 1.32 0.63 0.49 0.08 -0.31 -5.10 117.98 112.26 1ndl s PHE 135 Ca 0.01 -0.46 -0.08 0.00 0.12 0.00 0.00 56.93 56.51 1ndl s PHE 135 Cb 0.09 -0.74 0.01 0.00 -0.57 0.00 0.00 43.02 41.81 1ndl s PHE 135 CO 0.79 0.09 0.98 -0.80 -0.10 0.00 0.00 175.22 176.18 1ndl s ASN 136 N -1.83 5.57 0.44 1.36 0.02 -1.26 -4.43 114.94 114.82 1ndl s ASN 136 Ca 0.00 0.90 0.24 0.00 -1.02 0.00 0.00 52.86 52.98 1ndl s ASN 136 Cb -0.10 -1.83 0.94 0.00 0.02 0.00 0.00 41.25 40.28 1ndl s ASN 136 CO 0.03 -1.15 1.83 -0.33 0.02 0.00 0.00 177.10 177.50 1ndl h GLU 137 N -0.35 0.00 0.00 -0.60 3.07 -1.95 -2.74 114.58 112.01 1ndl h GLU 137 Ca -0.45 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.38 1ndl h GLU 137 Cb 1.25 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.16 1ndl h GLU 137 CO 0.62 0.23 -0.15 0.87 -1.40 0.00 0.00 179.01 179.18 1ndl h LYS 138 N 0.00 0.00 -0.02 2.33 1.57 -2.04 -3.09 116.57 115.32 1ndl h LYS 138 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ndl h LYS 138 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1ndl h LYS 138 CO 0.03 0.15 -0.10 0.39 -0.57 0.00 0.00 179.45 179.35 1ndl n GLU 139 N -4.00 1.81 -3.17 3.15 1.02 -1.03 -4.84 120.64 113.57 1ndl n GLU 139 Ca -0.02 -1.36 -0.42 0.00 -0.02 0.00 0.00 57.16 55.34 1ndl n GLU 139 Cb 0.23 -1.47 -0.07 0.00 -0.02 0.00 0.00 31.44 30.11 1ndl n GLU 139 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ndl s LEU 140 N -2.12 4.48 0.04 -4.62 1.43 -1.17 -4.58 118.68 112.13 1ndl s LEU 140 Ca 0.29 -0.24 -0.22 0.00 -1.03 0.00 0.00 54.13 52.94 1ndl s LEU 140 Cb 0.20 -2.65 -0.06 0.00 0.03 0.00 0.00 46.19 43.71 1ndl s LEU 140 CO 0.37 -0.64 0.65 -0.69 0.23 0.00 0.00 176.35 176.26 1ndl s VAL 141 N 2.59 4.78 -0.19 -1.59 1.01 0.70 -5.02 120.40 122.69 1ndl s VAL 141 Ca 0.20 1.37 -0.07 0.00 0.00 0.00 0.00 61.98 63.49 1ndl s VAL 141 Cb -0.15 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1ndl s VAL 141 CO 0.16 0.44 0.04 0.42 0.00 0.00 0.00 175.10 176.17 1ndl s THR 142 N -0.44 4.50 0.17 3.92 -4.23 -1.26 -4.71 115.64 113.58 1ndl s THR 142 Ca 0.33 -0.13 -0.23 0.00 -1.18 0.00 0.00 61.69 60.47 1ndl s THR 142 Cb -0.19 -3.03 0.07 0.00 1.34 0.00 0.00 72.50 70.68 1ndl s THR 142 CO 0.20 0.44 0.63 -1.66 -0.54 0.00 0.00 174.62 173.69 1ndl s TRP 143 N 0.61 -0.49 -0.22 3.99 1.48 -1.26 -5.15 118.94 117.90 1ndl s TRP 143 Ca 0.02 0.26 0.01 0.00 -1.06 0.00 0.00 56.10 55.33 1ndl s TRP 143 Cb -0.13 0.58 0.03 0.00 -1.16 0.00 0.00 33.47 32.78 1ndl s TRP 143 CO 0.02 -0.88 -0.15 0.99 -4.06 0.00 0.00 176.95 172.87 1ndl s THR 144 N -3.74 2.26 0.37 0.66 2.01 -1.26 -5.10 115.64 110.84 1ndl s THR 144 Ca 0.02 -1.15 -0.27 0.00 0.31 0.00 0.00 61.69 60.61 1ndl s THR 144 Cb -0.02 -2.10 -0.09 0.00 0.01 0.00 0.00 72.50 70.30 1ndl s THR 144 CO -0.11 0.32 1.29 -2.84 -0.69 0.00 0.00 174.62 172.60 1ndl s PRO 145 N 1.25 4.13 0.53 4.92 0.02 -1.26 -4.92 135.00 139.67 1ndl s PRO 145 Ca 0.00 2.16 0.19 0.00 0.02 0.00 0.00 61.00 63.37 1ndl s PRO 145 Cb -0.16 -2.88 1.37 0.00 0.02 0.00 0.00 34.50 32.85 1ndl s PRO 145 CO -0.09 -0.35 2.16 0.00 -0.33 0.00 0.00 177.00 178.38 1ndl h ALA 146 N 2.96 1.86 -0.41 -1.55 0.00 -2.05 -2.63 119.26 117.44 1ndl h ALA 146 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1ndl h ALA 146 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1ndl h ALA 146 CO 0.64 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.91 1ndl n ALA 147 N -2.49 2.44 -0.33 0.00 0.00 -1.26 -4.64 120.51 114.23 1ndl n ALA 147 Ca -0.03 -0.91 0.21 0.00 0.00 0.00 0.00 53.44 52.71 1ndl n ALA 147 Cb 0.10 -0.95 0.40 0.00 0.00 0.00 0.00 19.45 19.00 1ndl n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ndl n LYS 148 N 1.16 -0.07 0.05 0.00 4.81 -0.99 0.29 118.16 123.41 1ndl n LYS 148 Ca 0.19 1.42 0.11 0.00 -0.87 0.00 0.00 58.31 59.16 1ndl n LYS 148 Cb 0.51 -2.37 0.46 0.00 0.02 0.00 0.00 35.03 33.66 1ndl n LYS 148 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1ndl n ASP 149 N -5.37 0.33 -0.58 3.14 8.00 -1.26 -0.24 116.55 120.57 1ndl n ASP 149 Ca 0.28 0.55 0.11 0.00 0.71 0.00 0.00 54.79 56.44 1ndl n ASP 149 Cb 0.95 -0.63 0.02 0.00 -0.02 0.00 0.00 41.12 41.43 1ndl n ASP 149 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1ndl n TRP 150 N -1.83 0.00 -0.08 1.24 7.02 0.14 -4.33 117.44 119.60 1ndl n TRP 150 Ca 0.05 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.36 1ndl n TRP 150 Cb 0.29 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.12 1ndl n TRP 150 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1ndl n ILE 151 N 0.28 0.93 -5.12 -0.99 5.41 -0.99 -5.00 119.36 113.88 1ndl n ILE 151 Ca 0.10 -0.27 -0.31 0.00 1.00 0.00 0.00 62.75 63.28 1ndl n ILE 151 Cb 0.48 -1.56 -0.17 0.00 -0.71 0.00 0.00 39.64 37.68 1ndl n ILE 151 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1ndl s TYR 152 N -2.31 2.33 -2.03 1.39 2.02 0.67 -5.11 117.35 114.31 1ndl s TYR 152 Ca -0.23 -0.88 0.32 0.00 -0.37 0.00 0.00 57.07 55.91 1ndl s TYR 152 Cb 0.08 -1.57 1.86 0.00 -0.40 0.00 0.00 41.96 41.93 1ndl s TYR 152 CO 0.32 -0.34 2.20 -1.91 -1.57 0.00 0.00 175.55 174.25