#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 1.00 -0.00 0.00 0.00 -2.00 -3.11 119.26 115.15 1ndl h ALA 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ndl h ALA 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ndl h ALA 3 CO 0.00 0.00 -0.01 0.09 0.00 0.00 0.00 179.25 179.33 1ndl n ASN 4 N -2.80 0.01 -1.01 0.00 5.03 -1.26 -3.40 115.26 111.83 1ndl n ASN 4 Ca 0.04 0.27 0.11 0.00 0.87 0.00 0.00 54.58 55.87 1ndl n ASN 4 Cb 0.46 -0.42 0.16 0.00 -1.02 0.00 0.00 39.78 38.97 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 -1.43 2.28 -1.87 3.52 5.02 -1.17 -3.24 118.16 121.27 1ndl n LYS 5 Ca 0.09 -2.07 -0.38 0.00 -2.02 0.00 0.00 58.31 53.93 1ndl n LYS 5 Cb 0.31 -1.46 0.03 0.00 -0.02 0.00 0.00 35.03 33.90 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 -1.52 3.20 0.11 1.97 2.12 -1.22 -4.71 118.70 118.64 1ndl s GLU 6 Ca 0.32 2.13 0.08 0.00 0.36 0.00 0.00 54.97 57.86 1ndl s GLU 6 Cb 0.20 -2.24 -0.04 0.00 0.26 0.00 0.00 34.13 32.31 1ndl s GLU 6 CO 0.28 -1.11 -0.19 1.03 -0.54 0.00 0.00 175.26 174.73 1ndl s ARG 7 N -2.92 1.10 0.05 4.30 0.52 -1.26 -0.92 118.95 119.82 1ndl s ARG 7 Ca 0.71 -1.17 0.00 0.00 -0.52 0.00 0.00 55.73 54.75 1ndl s ARG 7 Cb -0.38 -1.28 -0.03 0.00 0.52 0.00 0.00 34.95 33.78 1ndl s ARG 7 CO 0.44 0.29 -0.04 -0.08 0.02 0.00 0.00 175.30 175.93 1ndl s THR 8 N -1.36 0.32 -0.17 0.02 -1.32 -0.76 -4.64 115.64 107.73 1ndl s THR 8 Ca 0.07 -1.57 -0.04 0.00 -1.21 0.00 0.00 61.69 58.93 1ndl s THR 8 Cb -0.09 -1.20 -0.03 0.00 -1.51 0.00 0.00 72.50 69.68 1ndl s THR 8 CO 0.04 -0.81 -0.02 0.12 -2.21 0.00 0.00 174.62 171.75 1ndl s PHE 9 N -3.09 3.05 -0.06 9.09 5.36 -1.26 -1.68 117.98 129.37 1ndl s PHE 9 Ca 0.01 -0.33 0.01 0.00 -0.96 0.00 0.00 56.93 55.66 1ndl s PHE 9 Cb 0.02 -2.01 0.02 0.00 -0.34 0.00 0.00 43.02 40.70 1ndl s PHE 9 CO -0.06 -0.10 -0.08 0.42 -1.46 0.00 0.00 175.22 173.94 1ndl s ILE 10 N 0.60 0.86 -0.03 3.12 -1.09 -0.84 -1.11 121.20 122.70 1ndl s ILE 10 Ca -0.02 -0.29 0.03 0.00 -2.23 0.00 0.00 60.65 58.14 1ndl s ILE 10 Cb -0.14 -0.83 0.00 0.00 -1.58 0.00 0.00 42.46 39.91 1ndl s ILE 10 CO 0.02 0.30 -0.10 -0.32 -1.23 0.00 0.00 174.94 173.62 1ndl s MET 11 N 0.96 1.05 -0.20 2.79 -2.45 0.67 -0.46 119.30 121.66 1ndl s MET 11 Ca -0.10 -0.32 -0.20 0.00 -1.25 0.00 0.00 55.69 53.82 1ndl s MET 11 Cb -0.15 -0.97 -0.03 0.00 1.25 0.00 0.00 34.83 34.94 1ndl s MET 11 CO 0.00 0.11 0.60 0.08 1.05 0.00 0.00 175.02 176.86 1ndl s VAL 12 N 0.24 5.04 0.94 10.11 1.01 -0.08 0.34 120.40 138.00 1ndl s VAL 12 Ca -0.04 1.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.92 1ndl s VAL 12 Cb -0.09 -3.92 0.16 0.00 0.00 0.00 0.00 36.38 32.53 1ndl s VAL 12 CO 0.01 0.13 1.16 -0.54 0.00 0.00 0.00 175.10 175.86 1ndl s LYS 13 N 1.84 0.88 0.36 2.72 1.02 0.32 -1.58 119.74 125.29 1ndl s LYS 13 Ca 0.27 0.13 0.05 0.00 0.02 0.00 0.00 55.97 56.45 1ndl s LYS 13 Cb -0.16 -1.82 0.72 0.00 -0.52 0.00 0.00 37.83 36.05 1ndl s LYS 13 CO 0.10 -2.34 1.95 -1.35 -0.92 0.00 0.00 175.35 172.79 1ndl h PRO 14 N -1.60 0.76 -0.16 -1.68 0.11 -1.86 -2.51 132.00 125.07 1ndl h PRO 14 Ca -0.49 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.47 1ndl h PRO 14 Cb 1.31 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1ndl h PRO 14 CO 0.56 0.50 -0.38 0.38 -0.21 0.00 0.00 178.00 178.85 1ndl h ASP 15 N 0.78 0.35 -0.51 -2.05 2.03 -1.89 -0.65 116.42 114.49 1ndl h ASP 15 Ca 0.32 -0.14 -0.06 0.00 -0.73 0.00 0.00 57.03 56.42 1ndl h ASP 15 Cb 0.27 -0.10 -0.02 0.00 -0.83 0.00 0.00 39.33 38.65 1ndl h ASP 15 CO -0.11 0.70 0.07 1.23 -1.03 0.00 0.00 179.24 180.10 1ndl h GLY 16 N 1.14 0.92 0.58 7.15 0.00 -1.63 0.22 103.07 111.45 1ndl h GLY 16 Ca 0.03 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 1ndl h GLY 16 CO 0.06 0.58 -0.06 -2.08 0.00 0.00 0.00 176.54 175.04 1ndl h VAL 17 N 0.73 1.03 -0.84 4.60 2.07 -1.35 0.07 116.25 122.57 1ndl h VAL 17 Ca 0.15 -0.87 0.04 0.00 0.82 0.00 0.00 66.70 66.85 1ndl h VAL 17 Cb 0.42 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 1ndl h VAL 17 CO 0.01 0.20 0.55 1.56 0.02 0.00 0.00 177.57 179.91 1ndl h GLN 18 N -0.61 0.98 -0.13 1.57 1.08 -1.05 -2.11 115.11 114.83 1ndl h GLN 18 Ca -0.02 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1ndl h GLN 18 Cb 0.47 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1ndl h GLN 18 CO 0.03 0.65 0.00 0.54 -0.95 0.00 0.00 178.83 179.10 1ndl n ARG 19 N -4.46 1.56 -3.15 1.46 1.74 0.76 -4.95 116.66 109.63 1ndl n ARG 19 Ca 0.11 -0.84 -0.14 0.00 -0.77 0.00 0.00 57.85 56.21 1ndl n ARG 19 Cb 0.14 -1.36 0.05 0.00 -1.02 0.00 0.00 32.46 30.28 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 1.04 -0.04 0.96 -0.13 0.00 -0.80 -4.96 105.19 101.26 1ndl n GLY 20 Ca 0.15 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.34 3.92 0.03 0.99 4.77 -0.03 -4.70 117.00 118.64 1ndl n LEU 21 Ca -0.04 -2.84 -0.13 0.00 -0.03 0.00 0.00 56.01 52.97 1ndl n LEU 21 Cb 0.56 -0.51 -0.09 0.00 -2.33 0.00 0.00 43.42 41.05 1ndl n LEU 21 CO 0.42 0.68 0.64 0.58 -1.33 0.00 0.00 177.39 178.38 1ndl h VAL 22 N 2.09 1.17 -0.45 4.08 2.07 -1.91 -2.02 116.25 121.28 1ndl h VAL 22 Ca 0.00 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1ndl h VAL 22 Cb 1.38 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 1ndl h VAL 22 CO 0.21 0.22 0.25 1.23 0.02 0.00 0.00 177.57 179.50 1ndl h GLY 23 N -0.50 0.67 1.01 2.17 0.00 -1.97 -1.39 103.07 103.06 1ndl h GLY 23 Ca -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1ndl h GLY 23 CO 0.02 0.29 0.34 0.50 0.00 0.00 0.00 176.54 177.69 1ndl h LYS 24 N 0.59 0.99 -0.21 4.80 1.57 -1.87 0.17 116.57 122.62 1ndl h LYS 24 Ca 0.16 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1ndl h LYS 24 Cb 0.05 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1ndl h LYS 24 CO -0.03 0.78 -0.03 0.82 -0.57 0.00 0.00 179.45 180.42 1ndl h ILE 25 N 0.96 1.27 -0.59 1.86 2.04 -1.13 -2.46 117.51 119.47 1ndl h ILE 25 Ca 0.24 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 65.15 1ndl h ILE 25 Cb 0.10 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1ndl h ILE 25 CO -0.03 0.29 0.38 0.40 0.00 0.00 0.00 178.15 179.20 1ndl h ILE 26 N 0.13 1.14 -0.94 -0.67 2.04 -1.02 -2.01 117.51 116.18 1ndl h ILE 26 Ca 0.06 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.69 1ndl h ILE 26 Cb 0.45 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 1ndl h ILE 26 CO 0.02 0.14 0.62 -0.08 0.00 0.00 0.00 178.15 178.84 1ndl h GLU 27 N 0.78 1.12 -0.78 2.37 4.81 -0.58 -1.39 114.58 120.92 1ndl h GLU 27 Ca 0.22 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1ndl h GLU 27 Cb -0.08 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 29.01 1ndl h GLU 27 CO -0.05 0.74 0.50 0.00 -0.73 0.00 0.00 179.01 179.47 1ndl h ARG 28 N 1.15 1.03 -0.03 1.92 3.08 -0.87 -1.02 114.38 119.65 1ndl h ARG 28 Ca 0.38 -0.07 -0.21 0.00 0.07 0.00 0.00 59.98 60.16 1ndl h ARG 28 Cb 0.07 -0.23 0.02 0.00 0.08 0.00 0.00 29.97 29.90 1ndl h ARG 28 CO -0.13 0.70 -0.79 0.74 -1.07 0.00 0.00 179.97 179.43 1ndl h PHE 29 N 1.06 0.85 -0.54 3.04 -1.00 -1.28 -3.12 116.94 115.95 1ndl h PHE 29 Ca 0.28 -0.44 -0.05 0.00 2.81 0.00 0.00 57.97 60.57 1ndl h PHE 29 Cb -0.10 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.34 1ndl h PHE 29 CO 0.00 1.26 0.15 0.93 -1.61 0.00 0.00 178.31 179.04 1ndl h GLU 30 N 0.19 0.85 -0.69 1.51 5.08 -1.03 -2.82 114.58 117.67 1ndl h GLU 30 Ca -0.09 -0.20 0.10 0.00 -1.00 0.00 0.00 59.36 58.17 1ndl h GLU 30 Cb 1.46 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 30.52 1ndl h GLU 30 CO 0.16 0.79 0.32 0.37 -1.00 0.00 0.00 179.01 179.65 1ndl h GLN 31 N 0.75 0.53 0.00 2.33 4.15 -1.27 -2.60 115.11 119.00 1ndl h GLN 31 Ca 0.17 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.53 1ndl h GLN 31 Cb 0.31 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.88 1ndl h GLN 31 CO -0.00 0.35 -0.12 -0.22 -1.93 0.00 0.00 178.83 176.91 1ndl h LYS 32 N 0.54 0.00 0.00 1.69 1.63 -1.47 -3.47 116.57 115.49 1ndl h LYS 32 Ca 0.35 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.15 1ndl h LYS 32 Cb 0.40 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1ndl h LYS 32 CO -0.29 0.12 0.00 0.41 -3.45 0.00 0.00 179.45 176.24 1ndl n GLY 33 N -1.13 0.88 3.78 5.01 0.00 -0.98 -5.10 105.19 107.64 1ndl n GLY 33 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 2.69 -0.20 1.61 0.08 -1.07 -5.01 117.98 114.07 1ndl s PHE 34 Ca 0.00 1.55 -0.07 0.00 0.12 0.00 0.00 56.93 58.53 1ndl s PHE 34 Cb 0.00 -3.25 -0.03 0.00 -0.57 0.00 0.00 43.02 39.17 1ndl s PHE 34 CO 0.00 -1.55 0.05 0.21 -0.10 0.00 0.00 175.22 173.83 1ndl s LYS 35 N -3.47 3.82 0.04 0.44 2.20 -0.50 -4.54 119.74 117.72 1ndl s LYS 35 Ca 0.71 -0.42 -0.30 0.00 -0.36 0.00 0.00 55.97 55.60 1ndl s LYS 35 Cb -0.23 -3.20 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 1ndl s LYS 35 CO 0.30 0.11 1.25 -1.17 -0.36 0.00 0.00 175.35 175.47 1ndl s LEU 36 N 0.80 4.35 -0.06 5.43 2.96 -1.26 -0.31 118.68 130.58 1ndl s LEU 36 Ca 0.03 2.03 0.04 0.00 -0.22 0.00 0.00 54.13 56.01 1ndl s LEU 36 Cb -0.14 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 42.91 1ndl s LEU 36 CO 0.02 -0.54 0.00 0.52 -1.32 0.00 0.00 176.35 175.03 1ndl n VAL 37 N 4.14 0.42 -3.72 1.68 0.31 0.17 -4.93 118.33 116.40 1ndl n VAL 37 Ca 0.10 -0.24 -0.13 0.00 -0.01 0.00 0.00 64.34 64.06 1ndl n VAL 37 Cb 0.45 -0.83 -0.08 0.00 -0.91 0.00 0.00 33.84 32.48 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 -2.15 -0.88 -0.28 3.52 0.00 -1.10 -0.40 121.76 120.48 1ndl s ALA 38 Ca -0.05 0.33 -0.23 0.00 0.00 0.00 0.00 51.96 52.01 1ndl s ALA 38 Cb 0.02 0.18 0.09 0.00 0.00 0.00 0.00 23.12 23.41 1ndl s ALA 38 CO 0.23 -0.34 0.80 -1.17 0.00 0.00 0.00 175.76 175.28 1ndl s LEU 39 N -1.62 -0.69 0.09 0.00 2.96 -1.26 -1.34 118.68 116.82 1ndl s LEU 39 Ca -0.10 1.29 -0.25 0.00 -0.22 0.00 0.00 54.13 54.85 1ndl s LEU 39 Cb -0.03 2.28 0.08 0.00 0.50 0.00 0.00 46.19 49.03 1ndl s LEU 39 CO 0.02 -0.22 0.70 -1.59 -1.32 0.00 0.00 176.35 173.94 1ndl s LYS 40 N 0.55 1.11 -0.18 1.98 -2.85 -1.10 -5.02 119.74 114.24 1ndl s LYS 40 Ca -0.01 -0.38 -0.02 0.00 -1.00 0.00 0.00 55.97 54.56 1ndl s LYS 40 Cb -0.05 0.51 -0.01 0.00 -2.06 0.00 0.00 37.83 36.23 1ndl s LYS 40 CO -0.04 -0.48 -0.10 0.12 0.10 0.00 0.00 175.35 174.95 1ndl s PHE 41 N -3.43 2.88 0.20 1.78 5.36 -1.26 -3.24 117.98 120.26 1ndl s PHE 41 Ca 0.02 -0.90 -0.16 0.00 -0.96 0.00 0.00 56.93 54.93 1ndl s PHE 41 Cb -0.01 -1.97 0.02 0.00 -0.34 0.00 0.00 43.02 40.72 1ndl s PHE 41 CO -0.11 -0.44 0.49 -0.08 -1.46 0.00 0.00 175.22 173.62 1ndl s THR 42 N 0.97 0.03 -0.27 0.12 -1.32 -0.19 -5.00 115.64 109.98 1ndl s THR 42 Ca -0.01 -0.98 -0.08 0.00 -1.21 0.00 0.00 61.69 59.41 1ndl s THR 42 Cb -0.15 -1.73 -0.02 0.00 -1.51 0.00 0.00 72.50 69.10 1ndl s THR 42 CO -0.01 -0.13 0.09 0.86 -2.21 0.00 0.00 174.62 173.22 1ndl s TRP 43 N -3.91 3.12 0.01 9.09 -0.11 -1.26 0.70 118.94 126.57 1ndl s TRP 43 Ca 0.12 -0.59 -0.24 0.00 1.22 0.00 0.00 56.10 56.61 1ndl s TRP 43 Cb -0.01 -2.26 -0.05 0.00 -1.50 0.00 0.00 33.47 29.65 1ndl s TRP 43 CO -0.00 -0.43 0.75 0.00 -4.62 0.00 0.00 176.95 172.64 1ndl s ALA 44 N 1.59 3.36 0.61 5.86 0.00 -1.26 -4.98 121.76 126.93 1ndl s ALA 44 Ca 0.05 0.24 -0.15 0.00 0.00 0.00 0.00 51.96 52.10 1ndl s ALA 44 Cb -0.16 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 1ndl s ALA 44 CO 0.04 0.02 1.05 -1.54 0.00 0.00 0.00 175.76 175.33 1ndl s SER 45 N 0.19 5.77 0.25 0.00 1.04 -1.26 -4.60 113.70 115.08 1ndl s SER 45 Ca 0.38 1.77 -0.06 0.00 0.48 0.00 0.00 55.95 58.52 1ndl s SER 45 Cb -0.20 -2.53 0.25 0.00 0.10 0.00 0.00 66.02 63.65 1ndl s SER 45 CO 0.22 -1.18 1.92 0.11 0.98 0.00 0.00 173.24 175.29 1ndl h LYS 46 N 0.27 1.32 -0.16 4.02 1.57 -1.97 0.16 116.57 121.77 1ndl h LYS 46 Ca -0.46 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.24 1ndl h LYS 46 Cb 1.22 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1ndl h LYS 46 CO 0.58 0.89 0.05 1.49 -0.57 0.00 0.00 179.45 181.88 1ndl h GLU 47 N 1.35 0.12 -0.47 3.15 4.81 -1.99 0.54 114.58 122.09 1ndl h GLU 47 Ca 0.36 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.58 1ndl h GLU 47 Cb -0.13 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 1ndl h GLU 47 CO -0.07 0.08 0.27 1.25 -0.73 0.00 0.00 179.01 179.81 1ndl h LEU 48 N 0.12 0.58 -1.25 1.64 5.85 -1.68 -2.47 115.31 118.10 1ndl h LEU 48 Ca 0.07 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1ndl h LEU 48 Cb 0.05 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1ndl h LEU 48 CO -0.08 0.48 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.22 1ndl h LEU 49 N 0.62 0.24 -1.24 2.25 3.38 -0.05 -2.38 115.31 118.14 1ndl h LEU 49 Ca 0.17 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1ndl h LEU 49 Cb 0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1ndl h LEU 49 CO -0.03 0.47 -0.31 -0.33 0.09 0.00 0.00 178.44 178.33 1ndl h GLU 50 N 0.23 0.00 0.13 1.13 5.08 0.51 -1.09 114.58 120.58 1ndl h GLU 50 Ca 0.04 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.12 1ndl h GLU 50 Cb 0.51 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.77 1ndl h GLU 50 CO 0.03 0.31 -1.26 0.87 -1.00 0.00 0.00 179.01 177.97 1ndl h LYS 51 N 0.00 0.28 -0.56 2.33 1.57 -1.21 -1.56 116.57 117.42 1ndl h LYS 51 Ca -0.00 -0.48 -0.06 0.00 -1.87 0.00 0.00 60.65 58.24 1ndl h LYS 51 Cb 0.71 0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 1ndl h LYS 51 CO 0.04 1.23 0.10 1.25 -0.57 0.00 0.00 179.45 181.50 1ndl h HIS 52 N 0.08 0.98 -0.53 -1.35 2.76 -1.22 -3.14 115.15 112.72 1ndl h HIS 52 Ca -0.14 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 57.90 1ndl h HIS 52 Cb 1.98 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 30.67 1ndl h HIS 52 CO 0.07 0.85 0.00 0.66 -1.30 0.00 0.00 177.93 178.21 1ndl n TYR 53 N -4.36 1.65 -0.37 5.26 4.01 -0.43 -4.79 117.16 118.13 1ndl n TYR 53 Ca 0.02 -0.72 0.04 0.00 -0.16 0.00 0.00 57.90 57.08 1ndl n TYR 53 Cb 0.26 -0.38 0.11 0.00 -0.31 0.00 0.00 39.34 39.01 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 0.55 0.12 0.06 -0.72 0.00 -0.59 -0.76 120.51 119.17 1ndl n ALA 54 Ca 0.25 1.06 0.20 0.00 0.00 0.00 0.00 53.44 54.96 1ndl n ALA 54 Cb 1.03 -0.59 0.74 0.00 0.00 0.00 0.00 19.45 20.63 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 -0.05 0.00 3.32 -1.87 -1.19 116.42 116.63 1ndl h ASP 55 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 1ndl h ASP 55 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1ndl h ASP 55 CO -1.01 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 176.69 1ndl n LEU 56 N -3.97 2.14 -0.33 1.55 4.77 0.06 -4.52 117.00 116.70 1ndl n LEU 56 Ca 0.08 -0.74 0.26 0.00 -0.03 0.00 0.00 56.01 55.58 1ndl n LEU 56 Cb 0.59 -0.02 0.50 0.00 -2.33 0.00 0.00 43.42 42.16 1ndl n LEU 56 CO 0.31 0.37 1.08 0.28 -1.33 0.00 0.00 177.39 178.10 1ndl h SER 57 N 3.29 0.39 1.45 -1.43 0.02 -1.23 0.94 113.55 116.98 1ndl h SER 57 Ca 0.00 0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 61.09 1ndl h SER 57 Cb 0.70 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 1ndl h SER 57 CO 0.00 -0.25 -0.37 0.00 -1.14 0.00 0.00 176.83 175.06 1ndl h ALA 58 N 1.91 0.79 -2.96 3.77 0.00 -1.83 -3.47 119.26 117.47 1ndl h ALA 58 Ca 0.76 -0.34 -0.55 0.00 0.00 0.00 0.00 54.91 54.79 1ndl h ALA 58 Cb 1.84 -0.06 0.12 0.00 0.00 0.00 0.00 17.79 19.70 1ndl h ALA 58 CO -0.68 0.47 0.68 0.54 0.00 0.00 0.00 179.25 180.26 1ndl n ARG 59 N -3.24 2.22 0.18 0.00 5.12 0.32 -4.95 116.66 116.30 1ndl n ARG 59 Ca 0.02 0.79 0.05 0.00 -1.93 0.00 0.00 57.85 56.78 1ndl n ARG 59 Cb 0.64 -2.61 0.49 0.00 -1.16 0.00 0.00 32.46 29.82 1ndl n ARG 59 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1ndl h PRO 60 N 2.25 0.13 0.00 5.56 0.13 -1.90 -1.95 132.00 136.23 1ndl h PRO 60 Ca -0.51 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1ndl h PRO 60 Cb 1.27 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ndl h PRO 60 CO 0.61 0.21 -0.21 1.97 -0.23 0.00 0.00 178.00 180.35 1ndl n PHE 61 N -4.38 0.80 -0.17 1.56 1.16 -1.26 -4.41 117.46 110.76 1ndl n PHE 61 Ca -0.01 0.23 -0.04 0.00 -1.87 0.00 0.00 57.45 55.76 1ndl n PHE 61 Cb 0.19 -0.84 -0.04 0.00 -1.61 0.00 0.00 39.48 37.18 1ndl n PHE 61 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1ndl n PHE 62 N -2.21 -0.17 -0.15 2.97 7.35 -0.73 0.03 117.46 124.54 1ndl n PHE 62 Ca 0.05 0.49 0.13 0.00 -0.76 0.00 0.00 57.45 57.36 1ndl n PHE 62 Cb 0.43 -0.48 0.47 0.00 0.35 0.00 0.00 39.48 40.26 1ndl n PHE 62 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1ndl h PRO 63 N 0.00 0.47 -0.31 -7.13 0.13 -1.79 -1.46 132.00 121.91 1ndl h PRO 63 Ca 0.06 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 65.12 1ndl h PRO 63 Cb 0.16 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.17 1ndl h PRO 63 CO -0.37 0.31 0.00 0.78 -0.23 0.00 0.00 178.00 178.49 1ndl h GLY 64 N 0.48 0.59 0.85 1.56 0.00 -0.68 -2.69 103.07 103.18 1ndl h GLY 64 Ca 0.34 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 47.25 1ndl h GLY 64 CO -0.11 0.40 -0.05 -2.00 0.00 0.00 0.00 176.54 174.77 1ndl h LEU 65 N 0.34 -0.15 -0.89 3.11 5.85 -0.13 -1.66 115.31 121.78 1ndl h LEU 65 Ca 0.09 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1ndl h LEU 65 Cb 0.44 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1ndl h LEU 65 CO 0.02 -0.08 0.51 0.58 -0.34 0.00 0.00 178.44 179.13 1ndl h VAL 66 N -0.09 1.25 -0.53 1.05 2.07 -1.35 0.11 116.25 118.77 1ndl h VAL 66 Ca 0.03 -0.60 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 1ndl h VAL 66 Cb 0.12 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 1ndl h VAL 66 CO -0.06 0.28 0.04 0.78 0.02 0.00 0.00 177.57 178.63 1ndl h ASN 67 N 1.24 0.88 0.18 0.57 2.35 -1.34 -2.02 115.58 117.43 1ndl h ASN 67 Ca 0.32 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1ndl h ASN 67 Cb -0.00 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.13 1ndl h ASN 67 CO -0.05 0.94 -0.09 0.22 -1.65 0.00 0.00 177.43 176.80 1ndl h TYR 68 N 0.78 -0.22 0.00 1.19 3.20 -0.89 -1.83 116.97 119.20 1ndl h TYR 68 Ca 0.16 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1ndl h TYR 68 Cb 0.47 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.81 1ndl h TYR 68 CO 0.03 0.01 0.00 0.52 -1.64 0.00 0.00 178.16 177.08 1ndl h MET 69 N -0.43 0.00 -0.49 1.82 2.86 -0.72 0.51 114.93 118.48 1ndl h MET 69 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1ndl h MET 69 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1ndl h MET 69 CO 0.04 0.00 0.00 -1.71 1.06 0.00 0.00 176.91 176.30 1ndl n ASN 70 N -2.41 3.51 -0.13 1.22 2.85 -0.77 -4.48 115.26 115.05 1ndl n ASN 70 Ca -0.00 -1.97 0.13 0.00 -0.11 0.00 0.00 54.58 52.63 1ndl n ASN 70 Cb 0.12 -0.32 0.42 0.00 1.24 0.00 0.00 39.78 41.24 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 0.67 -3.66 1.20 3.41 0.17 -4.94 113.62 111.86 1ndl n SER 71 Ca 0.20 -0.54 -0.06 0.00 -0.26 0.00 0.00 58.87 58.20 1ndl n SER 71 Cb 0.58 0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.58 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 -2.66 -0.04 0.80 5.00 0.00 -1.26 -5.11 107.32 104.05 1ndl s GLY 72 Ca 0.21 -0.29 -0.11 0.00 0.00 0.00 0.00 44.72 44.54 1ndl s GLY 72 CO 0.56 0.01 1.09 2.56 0.00 0.00 0.00 173.10 177.32 1ndl s PRO 73 N -3.44 2.03 0.18 2.90 0.04 -1.26 -4.60 135.00 130.85 1ndl s PRO 73 Ca 0.13 1.02 0.01 0.00 0.04 0.00 0.00 61.00 62.20 1ndl s PRO 73 Cb -0.05 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1ndl s PRO 73 CO 0.07 -1.76 0.03 0.14 0.04 0.00 0.00 177.00 175.51 1ndl s VAL 74 N -2.94 0.55 -0.48 -0.36 -7.23 0.22 -3.71 120.40 106.45 1ndl s VAL 74 Ca 0.61 -1.97 0.03 0.00 -1.81 0.00 0.00 61.98 58.84 1ndl s VAL 74 Cb -0.17 -2.19 0.13 0.00 0.56 0.00 0.00 36.38 34.71 1ndl s VAL 74 CO 0.56 -0.39 0.25 -0.69 -0.31 0.00 0.00 175.10 174.52 1ndl s VAL 75 N -3.75 2.02 0.30 1.32 1.01 -0.61 -1.02 120.40 119.67 1ndl s VAL 75 Ca 0.26 -2.96 -0.28 0.00 0.00 0.00 0.00 61.98 59.00 1ndl s VAL 75 Cb 0.07 -2.40 -0.09 0.00 0.00 0.00 0.00 36.38 33.95 1ndl s VAL 75 CO 0.05 -0.85 1.02 -2.16 0.00 0.00 0.00 175.10 173.17 1ndl s PRO 76 N 0.01 4.61 0.14 2.72 0.04 -1.20 -0.91 135.00 140.41 1ndl s PRO 76 Ca 0.17 1.59 -0.13 0.00 0.04 0.00 0.00 61.00 62.68 1ndl s PRO 76 Cb -0.25 -3.04 0.01 0.00 0.04 0.00 0.00 34.50 31.27 1ndl s PRO 76 CO -0.00 0.24 0.34 0.00 0.04 0.00 0.00 177.00 177.62 1ndl s MET 77 N -1.65 1.09 -0.11 4.56 0.23 0.39 -2.70 119.30 121.12 1ndl s MET 77 Ca 0.47 -0.92 0.01 0.00 -1.03 0.00 0.00 55.69 54.22 1ndl s MET 77 Cb -0.26 0.42 0.02 0.00 -1.53 0.00 0.00 34.83 33.48 1ndl s MET 77 CO 0.33 -0.41 -0.12 0.08 -2.03 0.00 0.00 175.02 172.87 1ndl s VAL 78 N -3.87 1.29 0.07 5.16 1.01 -0.45 -1.98 120.40 121.63 1ndl s VAL 78 Ca 0.08 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.62 1ndl s VAL 78 Cb 0.02 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1ndl s VAL 78 CO -0.07 0.40 -0.06 0.26 0.00 0.00 0.00 175.10 175.63 1ndl s TRP 79 N 1.22 2.86 0.06 5.22 0.52 -0.68 -0.65 118.94 127.49 1ndl s TRP 79 Ca -0.03 -0.08 0.07 0.00 0.02 0.00 0.00 56.10 56.07 1ndl s TRP 79 Cb -0.14 -1.51 -0.03 0.00 -1.15 0.00 0.00 33.47 30.64 1ndl s TRP 79 CO -0.04 0.43 -0.18 -2.00 0.02 0.00 0.00 176.95 175.18 1ndl s GLU 80 N -2.05 1.16 0.00 4.98 2.12 0.58 -1.82 118.70 123.66 1ndl s GLU 80 Ca 0.22 -0.94 0.00 0.00 0.36 0.00 0.00 54.97 54.61 1ndl s GLU 80 Cb -0.11 -1.27 0.00 0.00 0.26 0.00 0.00 34.13 33.01 1ndl s GLU 80 CO 0.14 0.31 0.00 0.41 -0.54 0.00 0.00 175.26 175.58 1ndl n GLY 81 N 1.65 2.48 3.67 -1.50 0.00 -0.10 -1.42 105.19 109.98 1ndl n GLY 81 Ca -0.18 -1.19 -0.48 0.00 0.00 0.00 0.00 46.02 44.17 1ndl n GLY 81 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ndl n LEU 82 N 0.00 3.15 -2.43 0.99 7.94 -1.25 -2.45 117.00 122.95 1ndl n LEU 82 Ca 0.00 1.03 -0.11 0.00 -1.11 0.00 0.00 56.01 55.82 1ndl n LEU 82 Cb 0.00 -1.38 -0.01 0.00 0.53 0.00 0.00 43.42 42.57 1ndl n LEU 82 CO 0.00 -0.23 -0.15 0.59 -1.11 0.00 0.00 177.39 176.50 1ndl n ASN 83 N 4.91 -3.67 -0.16 1.96 4.13 -1.25 -4.87 115.26 116.30 1ndl n ASN 83 Ca 0.20 0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.68 1ndl n ASN 83 Cb 0.28 -3.14 0.26 0.00 -1.54 0.00 0.00 39.78 35.64 1ndl n ASN 83 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 1ndl h VAL 84 N 0.00 1.19 0.43 2.41 3.04 -1.78 0.48 116.25 122.02 1ndl h VAL 84 Ca -0.27 -0.46 -0.01 0.00 -1.01 0.00 0.00 66.70 64.95 1ndl h VAL 84 Cb 1.19 0.32 -0.02 0.00 -2.01 0.00 0.00 31.29 30.78 1ndl h VAL 84 CO 0.32 0.21 -0.35 0.58 -1.01 0.00 0.00 177.57 177.32 1ndl h VAL 85 N 0.88 0.28 0.03 1.51 2.07 -1.86 0.20 116.25 119.36 1ndl h VAL 85 Ca 0.23 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.75 1ndl h VAL 85 Cb 0.01 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1ndl h VAL 85 CO -0.04 0.00 -0.01 0.50 0.02 0.00 0.00 177.57 178.04 1ndl h LYS 86 N -0.78 -0.04 -0.69 1.57 3.64 -1.83 -2.49 116.57 115.94 1ndl h LYS 86 Ca -0.04 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1ndl h LYS 86 Cb 0.67 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.47 1ndl h LYS 86 CO -0.01 0.30 0.33 1.15 -2.27 0.00 0.00 179.45 178.95 1ndl h THR 87 N -0.38 1.23 -0.76 1.00 2.02 -0.05 -2.43 112.91 113.55 1ndl h THR 87 Ca -0.00 -0.66 0.09 0.00 0.77 0.00 0.00 66.41 66.60 1ndl h THR 87 Cb 0.36 0.38 -0.07 0.00 -1.74 0.00 0.00 68.15 67.08 1ndl h THR 87 CO 0.01 0.27 0.42 1.23 0.37 0.00 0.00 175.52 177.82 1ndl h GLY 88 N 0.97 1.16 1.05 2.16 0.00 -0.62 -0.58 103.07 107.22 1ndl h GLY 88 Ca 0.24 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 1ndl h GLY 88 CO -0.03 0.11 0.58 3.21 0.00 0.00 0.00 176.54 180.41 1ndl h ARG 89 N 0.72 1.26 -0.14 4.80 3.08 -0.97 -2.38 114.38 120.74 1ndl h ARG 89 Ca 0.37 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 1ndl h ARG 89 Cb 0.33 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1ndl h ARG 89 CO -0.24 0.87 0.06 0.37 -1.07 0.00 0.00 179.97 179.95 1ndl h GLN 90 N 1.28 0.21 -0.51 0.04 4.15 -0.79 -2.62 115.11 116.87 1ndl h GLN 90 Ca 0.34 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.75 1ndl h GLN 90 Cb -0.08 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.54 1ndl h GLN 90 CO -0.07 0.30 0.34 0.52 -1.93 0.00 0.00 178.83 177.99 1ndl h MET 91 N 0.08 0.55 0.08 1.69 2.86 -1.05 -2.84 114.93 116.29 1ndl h MET 91 Ca 0.05 -0.03 -0.26 0.00 -2.06 0.00 0.00 59.70 57.39 1ndl h MET 91 Cb 0.17 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 31.71 1ndl h MET 91 CO -0.00 0.36 -1.13 -0.07 1.06 0.00 0.00 176.91 177.13 1ndl h LEU 92 N 0.57 0.62 0.00 1.22 3.38 -1.27 -0.79 115.31 119.03 1ndl h LEU 92 Ca 0.21 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1ndl h LEU 92 Cb 0.12 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1ndl h LEU 92 CO -0.05 1.39 0.00 0.61 0.09 0.00 0.00 178.44 180.47 1ndl n GLY 93 N 1.25 -1.57 3.77 0.83 0.00 -1.00 -0.76 105.19 107.70 1ndl n GLY 93 Ca -0.09 -2.08 -0.32 0.00 0.00 0.00 0.00 46.02 43.52 1ndl n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ndl s ALA 94 N -1.98 2.36 0.22 4.61 0.00 -1.26 -4.81 121.76 120.90 1ndl s ALA 94 Ca 0.00 0.44 -0.09 0.00 0.00 0.00 0.00 51.96 52.31 1ndl s ALA 94 Cb 0.00 -3.30 0.20 0.00 0.00 0.00 0.00 23.12 20.01 1ndl s ALA 94 CO 0.00 -1.51 1.88 1.15 0.00 0.00 0.00 175.76 177.28 1ndl h THR 95 N -0.47 1.17 -3.56 0.00 2.02 -1.95 -3.37 112.91 106.76 1ndl h THR 95 Ca -0.45 -0.36 -0.60 0.00 0.77 0.00 0.00 66.41 65.76 1ndl h THR 95 Cb 1.24 0.03 -0.11 0.00 -1.74 0.00 0.00 68.15 67.57 1ndl h THR 95 CO 0.53 0.19 0.49 0.21 0.37 0.00 0.00 175.52 177.31 1ndl s ASN 96 N -5.89 6.57 0.46 4.18 3.84 -1.26 -4.77 114.94 118.07 1ndl s ASN 96 Ca -0.13 0.33 0.21 0.00 0.21 0.00 0.00 52.86 53.48 1ndl s ASN 96 Cb 0.16 -2.43 1.20 0.00 -0.55 0.00 0.00 41.25 39.63 1ndl s ASN 96 CO 0.79 -0.86 1.88 -0.65 -2.79 0.00 0.00 177.10 175.47 1ndl h PRO 97 N 8.66 0.26 0.00 0.43 0.11 -1.77 -0.54 132.00 139.16 1ndl h PRO 97 Ca -0.24 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 1ndl h PRO 97 Cb 1.08 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1ndl h PRO 97 CO 0.97 0.17 -0.03 0.00 -0.21 0.00 0.00 178.00 178.90 1ndl h ALA 98 N 1.61 1.10 0.00 -0.75 0.00 -1.88 -0.55 119.26 118.80 1ndl h ALA 98 Ca 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1ndl h ALA 98 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ndl h ALA 98 CO -0.11 0.04 -0.97 -0.25 0.00 0.00 0.00 179.25 177.96 1ndl n ASP 99 N -3.27 0.93 -4.72 0.00 8.00 -0.24 -4.93 116.55 112.32 1ndl n ASP 99 Ca -0.02 -0.90 -0.41 0.00 0.71 0.00 0.00 54.79 54.17 1ndl n ASP 99 Cb 0.18 0.94 -0.04 0.00 -0.02 0.00 0.00 41.12 42.19 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 -3.04 7.26 0.37 -2.24 0.01 -0.21 -4.59 113.70 111.25 1ndl s SER 100 Ca 0.08 1.52 -0.14 0.00 1.31 0.00 0.00 55.95 58.71 1ndl s SER 100 Cb 0.16 -2.52 -0.08 0.00 0.21 0.00 0.00 66.02 63.79 1ndl s SER 100 CO 0.85 -0.18 0.78 -0.76 0.41 0.00 0.00 173.24 174.35 1ndl s LEU 101 N 0.76 3.95 0.33 2.44 1.43 -1.26 -4.37 118.68 121.96 1ndl s LEU 101 Ca 0.46 1.30 -0.28 0.00 -1.03 0.00 0.00 54.13 54.58 1ndl s LEU 101 Cb -0.20 -4.14 -0.12 0.00 0.03 0.00 0.00 46.19 41.75 1ndl s LEU 101 CO 0.25 -0.30 1.31 -2.65 0.23 0.00 0.00 176.35 175.18 1ndl n PRO 102 N -0.74 2.13 0.00 1.29 -0.02 -1.26 -2.06 135.00 134.34 1ndl n PRO 102 Ca 0.04 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1ndl n PRO 102 Cb 0.54 -2.34 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 0.92 1.68 3.92 -1.23 0.00 -1.26 -4.97 105.19 104.25 1ndl n GLY 103 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.38 5.10 0.14 2.61 -4.23 -0.87 -4.94 115.64 111.07 1ndl s THR 104 Ca 0.00 -0.19 -0.19 0.00 -1.18 0.00 0.00 61.69 60.13 1ndl s THR 104 Cb 0.00 -3.75 0.01 0.00 1.34 0.00 0.00 72.50 70.10 1ndl s THR 104 CO 0.00 -0.31 1.69 0.40 -0.54 0.00 0.00 174.62 175.87 1ndl h ILE 105 N 1.32 0.73 -0.20 2.99 2.04 -1.17 0.29 117.51 123.51 1ndl h ILE 105 Ca -0.48 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.19 1ndl h ILE 105 Cb 1.19 0.73 0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1ndl h ILE 105 CO 0.66 0.00 -0.61 0.03 0.00 0.00 0.00 178.15 178.23 1ndl h ARG 106 N -0.00 0.77 -0.34 2.37 3.08 -1.21 -1.87 114.38 117.17 1ndl h ARG 106 Ca 0.13 -0.56 0.06 0.00 0.07 0.00 0.00 59.98 59.69 1ndl h ARG 106 Cb 0.20 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.29 1ndl h ARG 106 CO -0.28 1.18 -0.03 0.78 -1.07 0.00 0.00 179.97 180.55 1ndl h GLY 107 N 0.49 0.31 2.00 0.04 0.00 -1.63 -2.05 103.07 102.23 1ndl h GLY 107 Ca -0.02 0.06 -0.19 0.00 0.00 0.00 0.00 47.33 47.19 1ndl h GLY 107 CO 0.13 -0.10 -0.89 -0.55 0.00 0.00 0.00 176.54 175.13 1ndl h ASP 108 N 0.07 0.00 -0.01 0.19 3.32 -0.97 -3.42 116.42 115.61 1ndl h ASP 108 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1ndl h ASP 108 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1ndl h ASP 108 CO -0.30 0.89 -0.02 0.49 -1.72 0.00 0.00 179.24 178.58 1ndl n PHE 109 N -3.42 0.00 -4.00 4.55 3.72 -0.70 -5.08 117.46 112.52 1ndl n PHE 109 Ca -0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 1ndl n PHE 109 Cb 0.86 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.37 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 -0.48 0.00 -3.92 0.00 5.41 -1.26 -4.73 119.36 114.39 1ndl n ILE 111 Ca -0.02 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.39 1ndl n ILE 111 Cb 0.61 -0.69 -0.05 0.00 -0.71 0.00 0.00 39.64 38.80 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 -1.80 3.41 0.24 0.38 0.74 -1.26 -3.77 119.66 117.59 1ndl s GLN 112 Ca 0.00 -0.27 -0.06 0.00 0.05 0.00 0.00 55.36 55.08 1ndl s GLN 112 Cb 0.00 -3.11 0.34 0.00 1.10 0.00 0.00 33.01 31.34 1ndl s GLN 112 CO 0.00 0.71 1.82 -0.24 -0.55 0.00 0.00 175.29 177.03 1ndl h VAL 113 N 3.24 0.97 0.00 1.34 3.04 -1.96 -1.94 116.25 120.94 1ndl h VAL 113 Ca -0.51 -0.28 -0.00 0.00 -1.01 0.00 0.00 66.70 64.89 1ndl h VAL 113 Cb 1.20 0.06 -0.00 0.00 -2.01 0.00 0.00 31.29 30.54 1ndl h VAL 113 CO 0.65 0.15 -0.02 1.23 -1.01 0.00 0.00 177.57 178.57 1ndl h GLY 114 N 0.83 0.00 -6.04 3.17 0.00 -1.96 -3.22 103.07 95.86 1ndl h GLY 114 Ca 0.37 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.13 1ndl h GLY 114 CO -0.21 0.00 -0.90 0.54 0.00 0.00 0.00 176.54 175.97 1ndl n ARG 115 N -3.16 1.53 -1.15 4.80 5.12 -0.74 -4.97 116.66 118.09 1ndl n ARG 115 Ca -0.01 -3.85 -0.19 0.00 -1.93 0.00 0.00 57.85 51.87 1ndl n ARG 115 Cb 0.21 -1.68 0.16 0.00 -1.16 0.00 0.00 32.46 29.99 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 1.05 3.99 0.00 0.55 6.94 -1.18 -4.30 115.26 122.31 1ndl n ASN 116 Ca 0.25 -3.72 0.00 0.00 -0.02 0.00 0.00 54.58 51.09 1ndl n ASN 116 Cb 0.49 -0.76 0.00 0.00 -2.36 0.00 0.00 39.78 37.15 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 -1.08 0.00 -4.17 1.53 -5.35 -1.26 -4.80 119.36 104.24 1ndl n ILE 117 Ca 0.50 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.88 1ndl n ILE 117 Cb 1.25 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 39.05 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 0.20 -0.03 7.28 2.07 -1.26 -0.52 121.20 128.94 1ndl s ILE 118 Ca 0.00 -1.93 0.03 0.00 -1.41 0.00 0.00 60.65 57.34 1ndl s ILE 118 Cb 0.00 -2.09 0.00 0.00 0.13 0.00 0.00 42.46 40.50 1ndl s ILE 118 CO 0.00 -0.44 -0.10 -2.28 -1.91 0.00 0.00 174.94 170.20 1ndl s HIS 119 N -3.98 1.06 -0.01 3.50 5.65 0.15 -4.87 115.29 116.79 1ndl s HIS 119 Ca 0.25 -0.26 0.01 0.00 0.25 0.00 0.00 55.06 55.31 1ndl s HIS 119 Cb 0.07 -0.74 0.00 0.00 -1.18 0.00 0.00 32.58 30.74 1ndl s HIS 119 CO 0.03 -0.09 -0.05 0.20 -0.65 0.00 0.00 174.74 174.18 1ndl s GLY 120 N 0.10 0.30 0.48 1.59 0.00 -1.26 -0.24 107.32 108.28 1ndl s GLY 120 Ca -0.02 -0.16 -0.24 0.00 0.00 0.00 0.00 44.72 44.31 1ndl s GLY 120 CO 0.01 0.00 1.30 1.44 0.00 0.00 0.00 173.10 175.85 1ndl n SER 121 N 3.27 2.58 -0.22 1.64 7.64 -0.27 -4.91 113.62 123.36 1ndl n SER 121 Ca -0.17 1.04 -0.06 0.00 1.01 0.00 0.00 58.87 60.70 1ndl n SER 121 Cb 0.56 -1.53 0.09 0.00 -1.01 0.00 0.00 64.21 62.32 1ndl n SER 121 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1ndl h ASP 122 N 1.78 0.99 -5.44 6.43 3.32 -1.92 -3.46 116.42 118.12 1ndl h ASP 122 Ca -0.49 -0.20 0.20 0.00 0.02 0.00 0.00 57.03 56.56 1ndl h ASP 122 Cb 1.30 -0.26 -0.07 0.00 0.22 0.00 0.00 39.33 40.51 1ndl h ASP 122 CO 0.58 0.95 0.58 0.00 -1.72 0.00 0.00 179.24 179.63 1ndl s ALA 123 N -5.29 -1.75 0.25 3.45 0.00 -1.26 -4.96 121.76 112.19 1ndl s ALA 123 Ca -0.11 0.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.91 1ndl s ALA 123 Cb 0.15 0.63 0.36 0.00 0.00 0.00 0.00 23.12 24.26 1ndl s ALA 123 CO 0.83 -1.05 1.87 0.28 0.00 0.00 0.00 175.76 177.68 1ndl h VAL 124 N 2.00 1.06 -0.21 0.00 2.07 -1.92 0.11 116.25 119.37 1ndl h VAL 124 Ca -0.26 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 1ndl h VAL 124 Cb 1.22 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1ndl h VAL 124 CO 0.29 0.19 -0.08 -0.33 0.02 0.00 0.00 177.57 177.66 1ndl h GLU 125 N 1.06 0.42 0.00 1.57 3.07 -1.97 -2.81 114.58 115.92 1ndl h GLU 125 Ca 0.40 -0.17 -0.12 0.00 -0.50 0.00 0.00 59.36 58.97 1ndl h GLU 125 Cb 0.17 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 1ndl h GLU 125 CO -0.17 0.69 -0.57 0.66 -1.40 0.00 0.00 179.01 178.22 1ndl h SER 126 N 0.13 0.00 -0.84 1.42 4.64 -1.88 -2.64 113.55 114.39 1ndl h SER 126 Ca 0.05 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 1ndl h SER 126 Cb 0.55 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.60 1ndl h SER 126 CO 0.03 0.57 0.40 0.00 -0.87 0.00 0.00 176.83 176.95 1ndl h ALA 127 N 1.43 1.09 -0.59 5.18 0.00 -0.72 0.11 119.26 125.76 1ndl h ALA 127 Ca -0.01 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1ndl h ALA 127 Cb 1.12 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1ndl h ALA 127 CO 0.07 0.66 0.01 0.93 0.00 0.00 0.00 179.25 180.92 1ndl h GLU 128 N 1.20 1.02 0.05 0.00 5.08 -1.38 0.52 114.58 121.08 1ndl h GLU 128 Ca 0.29 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ndl h GLU 128 Cb 0.13 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1ndl h GLU 128 CO -0.03 1.00 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.73 1ndl h LYS 129 N 0.94 -0.07 -0.54 2.33 3.64 -1.05 -2.88 116.57 118.95 1ndl h LYS 129 Ca 0.17 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1ndl h LYS 129 Cb 0.53 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 1ndl h LYS 129 CO 0.03 0.27 0.33 0.93 -2.27 0.00 0.00 179.45 178.74 1ndl h GLU 130 N -0.42 0.63 -0.65 1.90 5.08 -0.67 -1.86 114.58 118.59 1ndl h GLU 130 Ca -0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1ndl h GLU 130 Cb 0.37 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1ndl h GLU 130 CO 0.01 0.42 0.39 0.82 -1.00 0.00 0.00 179.01 179.65 1ndl h ILE 131 N 0.65 1.19 -0.47 3.13 2.04 -0.93 -1.71 117.51 121.41 1ndl h ILE 131 Ca 0.21 -0.43 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 1ndl h ILE 131 Cb 0.01 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 1ndl h ILE 131 CO -0.09 0.20 0.06 0.00 0.00 0.00 0.00 178.15 178.32 1ndl h ALA 132 N 1.20 1.22 -0.14 1.87 0.00 -1.23 0.14 119.26 122.31 1ndl h ALA 132 Ca 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1ndl h ALA 132 Cb -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1ndl h ALA 132 CO -0.04 0.53 -0.01 -0.07 0.00 0.00 0.00 179.25 179.66 1ndl h LEU 133 N 0.71 0.25 0.00 0.00 3.38 -0.96 -3.36 115.31 115.33 1ndl h LEU 133 Ca 0.15 -0.32 -0.19 0.00 0.09 0.00 0.00 57.88 57.61 1ndl h LEU 133 Cb 0.35 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1ndl h LEU 133 CO 0.01 0.51 -1.23 -0.50 0.09 0.00 0.00 178.44 177.32 1ndl h TRP 134 N -0.01 0.00 -2.93 1.13 4.06 -1.15 -3.48 115.95 113.57 1ndl h TRP 134 Ca 0.04 0.00 -0.45 0.00 2.06 0.00 0.00 58.89 60.54 1ndl h TRP 134 Cb 0.39 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 28.40 1ndl h TRP 134 CO 0.04 0.74 -0.74 -0.06 -3.56 0.00 0.00 178.44 174.86 1ndl s PHE 135 N -2.81 1.70 0.21 0.49 0.08 0.48 -5.09 117.98 113.04 1ndl s PHE 135 Ca -0.01 -0.57 -0.00 0.00 0.12 0.00 0.00 56.93 56.47 1ndl s PHE 135 Cb 0.09 -0.80 -0.04 0.00 -0.57 0.00 0.00 43.02 41.70 1ndl s PHE 135 CO 0.80 0.35 0.40 -0.80 -0.10 0.00 0.00 175.22 175.87 1ndl s ASN 136 N -3.24 6.38 0.41 1.36 0.02 -1.26 -4.46 114.94 114.14 1ndl s ASN 136 Ca 0.22 0.38 0.15 0.00 -1.02 0.00 0.00 52.86 52.59 1ndl s ASN 136 Cb -0.01 -2.00 1.02 0.00 0.02 0.00 0.00 41.25 40.28 1ndl s ASN 136 CO 0.07 -0.06 1.89 -0.33 0.02 0.00 0.00 177.10 178.69 1ndl h GLU 137 N 1.89 0.45 0.00 -0.60 4.39 -1.96 0.73 114.58 119.48 1ndl h GLU 137 Ca -0.48 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.15 1ndl h GLU 137 Cb 1.19 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 1ndl h GLU 137 CO 0.67 0.30 -0.18 0.87 -1.16 0.00 0.00 179.01 179.51 1ndl h LYS 138 N 0.46 0.00 0.00 2.33 1.57 -2.04 -3.13 116.57 115.76 1ndl h LYS 138 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1ndl h LYS 138 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1ndl h LYS 138 CO -0.16 0.18 0.00 0.39 -0.57 0.00 0.00 179.45 179.29 1ndl n GLU 139 N -3.33 0.13 -2.94 3.15 1.02 0.25 -4.72 120.64 114.19 1ndl n GLU 139 Ca 0.00 0.14 -0.42 0.00 -0.02 0.00 0.00 57.16 56.86 1ndl n GLU 139 Cb 0.41 -1.66 -0.05 0.00 -0.02 0.00 0.00 31.44 30.12 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 -3.76 4.08 -0.07 -4.62 1.43 -1.18 -4.57 118.68 109.97 1ndl s LEU 140 Ca 0.11 0.83 -0.13 0.00 -1.03 0.00 0.00 54.13 53.91 1ndl s LEU 140 Cb 0.15 -3.10 -0.05 0.00 0.03 0.00 0.00 46.19 43.21 1ndl s LEU 140 CO 0.53 -0.55 0.33 -0.69 0.23 0.00 0.00 176.35 176.20 1ndl s VAL 141 N 2.87 5.21 -0.20 -1.59 1.01 0.47 -5.03 120.40 123.13 1ndl s VAL 141 Ca 0.33 0.65 -0.02 0.00 0.00 0.00 0.00 61.98 62.94 1ndl s VAL 141 Cb -0.15 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 1ndl s VAL 141 CO 0.10 0.52 -0.09 0.42 0.00 0.00 0.00 175.10 176.04 1ndl s THR 142 N -0.52 2.98 0.22 3.92 -4.23 -1.26 -4.70 115.64 112.05 1ndl s THR 142 Ca 0.20 -0.63 -0.14 0.00 -1.18 0.00 0.00 61.69 59.94 1ndl s THR 142 Cb -0.15 -2.33 0.01 0.00 1.34 0.00 0.00 72.50 71.37 1ndl s THR 142 CO 0.09 0.46 0.49 -1.66 -0.54 0.00 0.00 174.62 173.46 1ndl s TRP 143 N 1.33 0.18 -0.23 3.99 1.48 -1.26 -5.15 118.94 119.29 1ndl s TRP 143 Ca 0.04 -0.55 0.02 0.00 -1.06 0.00 0.00 56.10 54.55 1ndl s TRP 143 Cb -0.14 0.26 0.04 0.00 -1.16 0.00 0.00 33.47 32.47 1ndl s TRP 143 CO -0.05 -0.96 -0.14 0.99 -4.06 0.00 0.00 176.95 172.73 1ndl s THR 144 N -3.96 2.14 0.41 0.66 2.01 -1.26 -5.10 115.64 110.54 1ndl s THR 144 Ca 0.17 -1.37 -0.26 0.00 0.31 0.00 0.00 61.69 60.54 1ndl s THR 144 Cb -0.01 -2.13 -0.09 0.00 0.01 0.00 0.00 72.50 70.29 1ndl s THR 144 CO 0.04 0.19 1.30 -2.84 -0.69 0.00 0.00 174.62 172.62 1ndl s PRO 145 N 1.17 3.93 0.51 4.92 0.02 -1.26 -4.91 135.00 139.38 1ndl s PRO 145 Ca -0.04 2.14 0.22 0.00 0.02 0.00 0.00 61.00 63.35 1ndl s PRO 145 Cb -0.17 -2.72 1.34 0.00 0.02 0.00 0.00 34.50 32.96 1ndl s PRO 145 CO -0.08 -0.52 2.08 0.00 -0.33 0.00 0.00 177.00 178.16 1ndl h ALA 146 N 2.61 1.54 -0.23 -1.55 0.00 -2.05 -2.34 119.26 117.24 1ndl h ALA 146 Ca -0.50 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1ndl h ALA 146 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1ndl h ALA 146 CO 0.62 0.14 0.00 0.00 0.00 0.00 0.00 179.25 180.01 1ndl n ALA 147 N -2.39 2.49 -0.30 0.00 0.00 -1.26 -4.51 120.51 114.54 1ndl n ALA 147 Ca -0.02 -0.57 0.07 0.00 0.00 0.00 0.00 53.44 52.91 1ndl n ALA 147 Cb 0.20 -1.05 0.17 0.00 0.00 0.00 0.00 19.45 18.77 1ndl n ALA 147 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1ndl h LYS 148 N 2.27 0.04 0.00 0.00 3.64 -1.80 0.63 116.57 121.35 1ndl h LYS 148 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ndl h LYS 148 Cb 0.50 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1ndl h LYS 148 CO 0.00 0.03 0.00 -0.25 -2.27 0.00 0.00 179.45 176.96 1ndl n ASP 149 N -5.46 0.28 -0.32 4.20 8.00 -1.26 -1.77 116.55 120.21 1ndl n ASP 149 Ca 0.16 0.57 0.10 0.00 0.71 0.00 0.00 54.79 56.33 1ndl n ASP 149 Cb 0.53 -0.63 -0.04 0.00 -0.02 0.00 0.00 41.12 40.96 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 -1.81 0.00 -0.11 1.24 7.02 0.18 -4.34 117.44 119.61 1ndl n TRP 150 Ca 0.03 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.36 1ndl n TRP 150 Cb 0.19 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 28.97 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 -0.53 1.30 -4.57 -0.99 5.41 -0.77 -5.00 119.36 114.21 1ndl n ILE 151 Ca 0.07 -0.55 -0.26 0.00 1.00 0.00 0.00 62.75 63.02 1ndl n ILE 151 Cb 0.41 -1.18 -0.14 0.00 -0.71 0.00 0.00 39.64 38.03 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 -2.46 1.90 -2.00 1.39 2.02 -0.73 -5.12 117.35 112.35 1ndl s TYR 152 Ca -0.27 -0.39 0.13 0.00 -0.37 0.00 0.00 57.07 56.17 1ndl s TYR 152 Cb 0.08 -1.10 0.78 0.00 -0.40 0.00 0.00 41.96 41.32 1ndl s TYR 152 CO 0.56 0.14 1.21 0.39 -1.57 0.00 0.00 175.55 176.28