#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2giw n ASP 2 N 0.00 0.26 0.00 1.61 2.03 -1.26 -4.64 116.55 114.55 2giw n ASP 2 Ca 0.00 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.50 2giw n ASP 2 Cb 0.00 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 2giw n ASP 2 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2giw n VAL 3 N -1.56 0.00 0.13 5.18 0.31 -1.26 -4.32 118.33 116.81 2giw n VAL 3 Ca 0.06 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.25 2giw n VAL 3 Cb 0.35 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.20 2giw n VAL 3 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2giw h GLU 4 N 0.00 -0.28 -0.37 5.55 4.39 -1.93 0.07 114.58 122.01 2giw h GLU 4 Ca 0.00 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 2giw h GLU 4 Cb 0.00 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 2giw h GLU 4 CO 0.00 -0.11 0.06 0.87 -1.16 0.00 0.00 179.01 178.66 2giw h LYS 5 N -0.38 0.56 0.11 2.33 1.57 -1.94 -2.26 116.57 116.56 2giw h LYS 5 Ca -0.03 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2giw h LYS 5 Cb 0.29 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 2giw h LYS 5 CO 0.05 0.54 -0.47 0.78 -0.57 0.00 0.00 179.45 179.78 2giw h GLY 6 N 0.81 -0.98 1.31 3.86 0.00 -1.52 0.94 103.07 107.49 2giw h GLY 6 Ca 0.12 0.57 -0.02 0.00 0.00 0.00 0.00 47.33 48.00 2giw h GLY 6 CO 0.00 -0.27 0.30 0.07 0.00 0.00 0.00 176.54 176.65 2giw h LYS 7 N -0.70 0.90 -0.05 4.80 2.10 -0.73 0.11 116.57 123.01 2giw h LYS 7 Ca 0.01 -0.12 -0.04 0.00 -2.00 0.00 0.00 60.65 58.50 2giw h LYS 7 Cb 0.72 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2giw h LYS 7 CO -0.27 0.70 -0.14 -0.22 -2.00 0.00 0.00 179.45 177.51 2giw h LYS 8 N 0.90 0.18 -0.27 0.07 1.63 -1.06 -0.74 116.57 117.29 2giw h LYS 8 Ca 0.22 -0.13 -0.13 0.00 -0.85 0.00 0.00 60.65 59.76 2giw h LYS 8 Cb 0.10 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.75 2giw h LYS 8 CO -0.03 0.75 -0.35 0.82 -3.45 0.00 0.00 179.45 177.19 2giw h ILE 9 N -0.35 1.30 -0.06 2.00 2.04 -0.69 -0.08 117.51 121.67 2giw h ILE 9 Ca -0.00 -1.54 0.01 0.00 1.00 0.00 0.00 64.86 64.32 2giw h ILE 9 Cb 0.76 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.48 2giw h ILE 9 CO 0.03 0.49 -0.21 0.15 0.00 0.00 0.00 178.15 178.62 2giw h PHE 10 N 0.45 -0.62 -0.98 1.37 3.57 -0.79 -1.83 116.94 118.11 2giw h PHE 10 Ca 0.03 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.73 2giw h PHE 10 Cb 0.94 0.28 -0.10 0.00 2.79 0.00 0.00 35.95 39.86 2giw h PHE 10 CO 0.08 -0.20 0.58 0.28 -2.23 0.00 0.00 178.31 176.81 2giw h VAL 11 N -0.21 0.73 -0.75 1.41 2.07 -0.97 0.61 116.25 119.15 2giw h VAL 11 Ca 0.01 -0.26 0.14 0.00 0.82 0.00 0.00 66.70 67.41 2giw h VAL 11 Cb 0.25 -0.10 -0.09 0.00 -1.52 0.00 0.00 31.29 29.83 2giw h VAL 11 CO -0.17 0.14 0.31 -0.61 0.02 0.00 0.00 177.57 177.26 2giw h GLN 12 N 0.77 0.46 0.00 1.57 -0.00 -0.35 -3.20 115.11 114.36 2giw h GLN 12 Ca 0.55 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 59.17 2giw h GLN 12 Cb 0.80 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.18 2giw h GLN 12 CO -0.37 0.30 0.00 0.36 0.00 0.00 0.00 178.83 179.13 2giw n LYS 13 N -4.98 0.70 0.00 1.69 2.85 0.12 -4.85 118.16 113.69 2giw n LYS 13 Ca 0.14 -0.77 0.00 0.00 -1.05 0.00 0.00 58.31 56.63 2giw n LYS 13 Cb 0.40 -0.85 0.00 0.00 -0.65 0.00 0.00 35.03 33.93 2giw n LYS 13 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2giw h ALA 15 N 0.00 2.23 -1.20 0.00 0.00 -1.54 0.12 119.26 118.86 2giw h ALA 15 Ca 0.00 -0.01 0.38 0.00 0.00 0.00 0.00 54.91 55.28 2giw h ALA 15 Cb 0.80 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.44 2giw h ALA 15 CO 0.00 -0.38 0.76 -0.56 0.00 0.00 0.00 179.25 179.07 2giw h GLN 16 N 0.23 0.17 0.00 0.00 3.07 -1.87 -1.99 115.11 114.72 2giw h GLN 16 Ca 0.27 -0.01 -0.31 0.00 0.09 0.00 0.00 58.65 58.69 2giw h GLN 16 Cb 0.76 -0.04 -0.06 0.00 0.08 0.00 0.00 27.48 28.23 2giw h GLN 16 CO -0.05 0.11 -2.16 0.00 0.09 0.00 0.00 178.83 176.82 2giw s HIS 18 N -2.41 2.61 -0.04 0.00 3.76 0.11 -1.01 115.29 118.31 2giw s HIS 18 Ca -0.14 -2.84 -0.02 0.00 -0.15 0.00 0.00 55.06 51.91 2giw s HIS 18 Cb 0.06 -2.28 -0.07 0.00 1.11 0.00 0.00 32.58 31.39 2giw s HIS 18 CO 0.63 -0.73 2.58 0.25 -0.85 0.00 0.00 174.74 176.63 2giw n THR 19 N 3.05 2.45 -1.18 1.30 -2.24 -1.20 -4.06 114.28 112.40 2giw n THR 19 Ca 0.11 -1.03 -0.37 0.00 -2.27 0.00 0.00 64.05 60.49 2giw n THR 19 Cb 0.35 -1.66 -0.03 0.00 -2.10 0.00 0.00 70.33 66.89 2giw n THR 19 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2giw n VAL 20 N 1.72 2.59 0.05 2.28 3.14 -1.26 -3.05 118.33 123.80 2giw n VAL 20 Ca 0.19 -1.96 0.00 0.00 -2.96 0.00 0.00 64.34 59.61 2giw n VAL 20 Cb 0.65 -2.36 0.00 0.00 -1.06 0.00 0.00 33.84 31.07 2giw n VAL 20 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2giw n GLU 21 N 5.71 0.00 -1.00 1.45 0.00 -1.26 -4.97 120.64 120.57 2giw n GLU 21 Ca 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.57 2giw n GLU 21 Cb 0.31 0.00 0.07 0.00 0.00 0.00 0.00 31.44 31.82 2giw n GLU 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2giw n LYS 22 N -2.66 -0.16 -0.38 5.31 5.02 -1.17 -4.93 118.16 119.19 2giw n LYS 22 Ca 0.00 -0.90 0.34 0.00 -2.02 0.00 0.00 58.31 55.73 2giw n LYS 22 Cb 0.00 -0.42 0.60 0.00 -0.02 0.00 0.00 35.03 35.19 2giw n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2giw n GLY 23 N 1.78 -0.76 0.00 0.72 0.00 -1.26 -4.76 105.19 100.92 2giw n GLY 23 Ca 0.06 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.82 2giw n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2giw n GLY 24 N -1.38 2.99 3.11 -0.02 0.00 -1.26 -5.14 105.19 103.49 2giw n GLY 24 Ca 0.37 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 2giw n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2giw s LYS 25 N -2.84 0.44 0.00 1.61 2.47 -1.26 -5.09 119.74 115.07 2giw s LYS 25 Ca 0.00 -0.27 0.00 0.00 -1.56 0.00 0.00 55.97 54.14 2giw s LYS 25 Cb 0.00 0.19 0.00 0.00 -1.46 0.00 0.00 37.83 36.56 2giw s LYS 25 CO 0.00 -0.10 0.00 0.72 0.16 0.00 0.00 175.35 176.13 2giw n HIS 26 N 1.73 0.00 0.00 4.03 8.25 -1.26 -3.26 115.22 124.71 2giw n HIS 26 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 2giw n HIS 26 Cb 0.56 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.61 2giw n HIS 26 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2giw n LYS 27 N -1.80 0.00 -0.11 -0.41 4.81 -1.26 -2.62 118.16 116.77 2giw n LYS 27 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2giw n LYS 27 Cb 0.00 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.06 2giw n LYS 27 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2giw n THR 28 N 0.00 0.18 -3.64 3.15 -1.04 -1.24 -5.06 114.28 106.64 2giw n THR 28 Ca 0.00 -0.20 -0.05 0.00 -2.04 0.00 0.00 64.05 61.76 2giw n THR 28 Cb 0.00 0.79 -0.07 0.00 -1.82 0.00 0.00 70.33 69.23 2giw n THR 28 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2giw s GLY 29 N -0.44 -0.07 0.25 3.41 0.00 -0.18 -4.82 107.32 105.48 2giw s GLY 29 Ca 0.01 2.96 -0.31 0.00 0.00 0.00 0.00 44.72 47.38 2giw s GLY 29 CO 0.00 2.28 1.62 2.56 0.00 0.00 0.00 173.10 179.56 2giw s PRO 30 N 0.88 4.14 -0.05 2.90 0.04 -1.26 -4.31 135.00 137.34 2giw s PRO 30 Ca -0.04 2.55 -0.34 0.00 0.04 0.00 0.00 61.00 63.21 2giw s PRO 30 Cb -0.04 -3.06 -0.12 0.00 0.04 0.00 0.00 34.50 31.32 2giw s PRO 30 CO -0.12 -0.66 1.82 0.27 0.04 0.00 0.00 177.00 178.35 2giw n ASN 31 N 2.91 3.34 -2.64 6.66 2.04 -1.26 -4.82 115.26 121.49 2giw n ASN 31 Ca 0.11 1.00 -0.26 0.00 -0.44 0.00 0.00 54.58 54.99 2giw n ASN 31 Cb 0.37 -1.37 -0.08 0.00 -2.53 0.00 0.00 39.78 36.16 2giw n ASN 31 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 2giw n LEU 32 N 5.99 6.75 -0.06 -4.53 4.77 -1.26 -4.67 117.00 123.99 2giw n LEU 32 Ca 0.22 -3.94 -0.08 0.00 -0.03 0.00 0.00 56.01 52.18 2giw n LEU 32 Cb 0.29 -1.39 -0.02 0.00 -2.33 0.00 0.00 43.42 39.97 2giw n LEU 32 CO 0.72 1.85 0.91 -0.74 -1.33 0.00 0.00 177.39 178.80 2giw h HIS 33 N 3.67 0.14 -2.32 -1.77 2.76 -1.89 -3.38 115.15 112.36 2giw h HIS 33 Ca 0.47 0.01 -0.47 0.00 -2.20 0.00 0.00 60.37 58.18 2giw h HIS 33 Cb 0.85 -0.03 -0.36 0.00 1.55 0.00 0.00 27.41 29.43 2giw h HIS 33 CO 1.69 0.07 -0.76 0.20 -1.30 0.00 0.00 177.93 177.83 2giw s GLY 34 N -2.54 0.40 -0.13 5.26 0.00 -1.26 -4.26 107.32 104.79 2giw s GLY 34 Ca -0.13 -1.32 -0.12 0.00 0.00 0.00 0.00 44.72 43.14 2giw s GLY 34 CO 0.69 2.38 -0.24 1.04 0.00 0.00 0.00 173.10 176.98 2giw n LEU 35 N 4.34 1.50 -4.74 0.66 4.77 -1.26 -4.72 117.00 117.54 2giw n LEU 35 Ca 0.09 0.34 -0.41 0.00 -0.03 0.00 0.00 56.01 56.00 2giw n LEU 35 Cb 0.41 -0.72 -0.04 0.00 -2.33 0.00 0.00 43.42 40.75 2giw n LEU 35 CO 0.10 -0.36 0.80 -0.36 -1.33 0.00 0.00 177.39 176.23 2giw s PHE 36 N -2.36 3.58 -1.59 -1.77 0.40 -1.19 -2.28 117.98 112.77 2giw s PHE 36 Ca -0.20 1.59 -0.04 0.00 -0.60 0.00 0.00 56.93 57.68 2giw s PHE 36 Cb 0.03 -3.29 0.01 0.00 0.51 0.00 0.00 43.02 40.28 2giw s PHE 36 CO 0.29 -0.64 0.53 0.41 0.70 0.00 0.00 175.22 176.51 2giw n GLY 37 N 2.01 -0.52 3.16 4.36 0.00 -1.26 -5.00 105.19 107.95 2giw n GLY 37 Ca 0.03 0.12 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 2giw n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2giw s ARG 38 N -5.63 0.31 0.35 1.61 3.52 -0.97 -5.09 118.95 113.06 2giw s ARG 38 Ca 0.27 0.61 -0.27 0.00 -0.13 0.00 0.00 55.73 56.22 2giw s ARG 38 Cb -0.12 -0.03 -0.09 0.00 -1.56 0.00 0.00 34.95 33.15 2giw s ARG 38 CO 0.33 -0.14 1.09 -1.59 -0.81 0.00 0.00 175.30 174.18 2giw s LYS 39 N 1.12 4.35 0.00 5.12 0.00 -1.26 -3.36 119.74 125.72 2giw s LYS 39 Ca -0.08 1.68 0.00 0.00 0.00 0.00 0.00 55.97 57.57 2giw s LYS 39 Cb -0.08 -2.84 0.00 0.00 0.00 0.00 0.00 37.83 34.91 2giw s LYS 39 CO -0.09 -0.01 0.00 -2.37 0.00 0.00 0.00 175.35 172.88 2giw n THR 40 N 0.50 0.00 -2.70 3.79 5.66 0.27 -4.84 114.28 116.95 2giw n THR 40 Ca 0.02 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.87 2giw n THR 40 Cb 0.47 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.27 2giw n THR 40 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2giw n GLY 41 N 5.00 -0.17 0.97 1.09 0.00 -1.26 -4.34 105.19 106.48 2giw n GLY 41 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2giw n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2giw n GLN 42 N -2.93 0.00 -1.35 1.61 7.27 -1.26 -4.81 117.38 115.91 2giw n GLN 42 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.97 2giw n GLN 42 Cb 0.59 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.24 2giw n GLN 42 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2giw n ALA 43 N -1.77 -2.23 -2.12 1.69 0.00 -1.26 -4.05 120.51 110.76 2giw n ALA 43 Ca 0.00 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 2giw n ALA 43 Cb 0.00 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.24 2giw n ALA 43 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2giw n PRO 44 N 0.08 2.86 0.00 0.00 -0.04 -1.26 -4.14 135.00 132.50 2giw n PRO 44 Ca 0.00 -2.87 0.00 0.00 -0.04 0.00 0.00 63.50 60.59 2giw n PRO 44 Cb 0.00 -3.40 0.00 0.00 -0.04 0.00 0.00 33.50 30.06 2giw n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2giw n GLY 45 N 4.85 1.39 3.26 0.55 0.00 -1.26 -5.04 105.19 108.93 2giw n GLY 45 Ca 0.50 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 46.21 2giw n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2giw s PHE 46 N 0.00 1.72 0.46 1.61 2.19 -1.26 -5.16 117.98 117.54 2giw s PHE 46 Ca 0.00 -0.40 0.02 0.00 0.33 0.00 0.00 56.93 56.88 2giw s PHE 46 Cb 0.00 -0.97 -0.01 0.00 -1.31 0.00 0.00 43.02 40.73 2giw s PHE 46 CO 0.00 0.15 0.08 -0.08 1.83 0.00 0.00 175.22 177.20 2giw s THR 47 N -1.05 0.79 0.03 0.12 -1.32 -1.26 -4.47 115.64 108.48 2giw s THR 47 Ca 0.06 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.54 2giw s THR 47 Cb -0.10 -2.21 0.00 0.00 -1.51 0.00 0.00 72.50 68.68 2giw s THR 47 CO 0.03 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.44 2giw n TYR 48 N -1.10 -0.07 -1.62 9.09 4.11 -1.26 -5.09 117.16 121.23 2giw n TYR 48 Ca -0.13 -0.12 -0.44 0.00 -0.00 0.00 0.00 57.90 57.21 2giw n TYR 48 Cb 0.66 -0.02 -0.02 0.00 -0.00 0.00 0.00 39.34 39.96 2giw n TYR 48 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 2giw n THR 49 N -0.10 1.82 -0.30 -3.48 -2.24 -1.26 -4.65 114.28 104.07 2giw n THR 49 Ca -0.01 -0.46 0.22 0.00 -2.27 0.00 0.00 64.05 61.54 2giw n THR 49 Cb 0.03 -1.16 0.41 0.00 -2.10 0.00 0.00 70.33 67.52 2giw n THR 49 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2giw n ASP 50 N 1.26 0.13 -0.29 3.42 5.75 -1.26 -0.51 116.55 125.05 2giw n ASP 50 Ca 0.09 1.50 0.13 0.00 -0.01 0.00 0.00 54.79 56.50 2giw n ASP 50 Cb 0.32 -0.65 0.37 0.00 -1.03 0.00 0.00 41.12 40.13 2giw n ASP 50 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2giw h ALA 51 N 1.79 1.83 0.05 2.12 0.00 -1.88 0.36 119.26 123.53 2giw h ALA 51 Ca 0.67 0.03 -0.34 0.00 0.00 0.00 0.00 54.91 55.26 2giw h ALA 51 Cb 1.63 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 2giw h ALA 51 CO -0.76 -0.10 -1.99 -1.71 0.00 0.00 0.00 179.25 174.69 2giw n ASN 52 N -4.59 1.39 -0.11 0.00 5.15 -0.09 -4.05 115.26 112.96 2giw n ASN 52 Ca 0.19 0.22 0.05 0.00 -0.60 0.00 0.00 54.58 54.44 2giw n ASN 52 Cb 0.51 -0.30 0.37 0.00 -0.53 0.00 0.00 39.78 39.83 2giw n ASN 52 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 2giw h LYS 53 N 0.03 0.69 0.00 1.20 3.64 0.17 -0.24 116.57 122.06 2giw h LYS 53 Ca -0.40 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.92 2giw h LYS 53 Cb 2.04 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 33.70 2giw h LYS 53 CO 0.06 0.46 -0.09 -0.97 -2.27 0.00 0.00 179.45 176.64 2giw h ASN 54 N 0.71 0.00 0.27 4.20 -1.24 -0.52 -3.37 115.58 115.63 2giw h ASN 54 Ca 0.24 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.23 2giw h ASN 54 Cb 0.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.12 2giw h ASN 54 CO -0.06 0.09 -0.13 0.11 -1.29 0.00 0.00 177.43 176.14 2giw h LYS 55 N 0.00 -0.35 -6.03 6.67 1.57 -1.17 -3.48 116.57 113.78 2giw h LYS 55 Ca -0.00 0.02 -0.41 0.00 -1.87 0.00 0.00 60.65 58.40 2giw h LYS 55 Cb 0.91 0.08 0.07 0.00 0.08 0.00 0.00 32.23 33.37 2giw h LYS 55 CO 0.01 0.00 -0.82 0.41 -0.57 0.00 0.00 179.45 178.48 2giw n GLY 56 N -0.04 -0.31 3.77 3.86 0.00 -1.25 -4.93 105.19 106.31 2giw n GLY 56 Ca -0.09 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 2giw n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2giw s ILE 57 N -3.63 3.62 -0.29 -0.61 -5.25 -1.26 -4.50 121.20 109.26 2giw s ILE 57 Ca 0.01 -1.58 -0.22 0.00 -0.99 0.00 0.00 60.65 57.86 2giw s ILE 57 Cb -0.00 -3.12 -0.00 0.00 2.95 0.00 0.00 42.46 42.29 2giw s ILE 57 CO 0.80 -0.26 0.73 -0.89 -1.79 0.00 0.00 174.94 173.53 2giw s THR 58 N -2.30 4.86 -1.10 8.37 2.01 -1.26 -0.57 115.64 125.66 2giw s THR 58 Ca 0.36 1.11 -0.14 0.00 0.31 0.00 0.00 61.69 63.33 2giw s THR 58 Cb -0.06 -4.08 -0.07 0.00 0.01 0.00 0.00 72.50 68.30 2giw s THR 58 CO 0.24 -0.17 2.20 0.79 -0.69 0.00 0.00 174.62 176.99 2giw n TRP 59 N 6.04 2.18 -1.54 4.92 5.03 -1.21 -4.72 117.44 128.12 2giw n TRP 59 Ca 0.02 -2.31 -0.29 0.00 3.03 0.00 0.00 57.50 57.95 2giw n TRP 59 Cb 0.48 -2.00 0.18 0.00 -1.03 0.00 0.00 31.31 28.94 2giw n TRP 59 CO 0.00 0.00 0.00 -1.59 -0.03 0.00 0.00 177.69 176.07 2giw s LYS 60 N 3.72 0.40 0.27 -0.99 0.00 -1.26 -3.17 119.74 118.69 2giw s LYS 60 Ca 0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 55.97 56.46 2giw s LYS 60 Cb 0.14 -1.78 0.58 0.00 0.00 0.00 0.00 37.83 36.77 2giw s LYS 60 CO 0.00 -2.64 1.67 1.05 0.00 0.00 0.00 175.35 175.43 2giw h GLU 61 N -1.81 0.27 0.06 1.78 9.09 -1.91 -1.49 114.58 120.56 2giw h GLU 61 Ca -0.47 -0.02 -0.00 0.00 0.05 0.00 0.00 59.36 58.92 2giw h GLU 61 Cb 1.29 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 28.33 2giw h GLU 61 CO 0.48 0.18 -0.03 0.93 0.05 0.00 0.00 179.01 180.62 2giw h GLU 62 N 0.27 -0.07 -0.18 1.06 5.08 -1.93 0.47 114.58 119.27 2giw h GLU 62 Ca 0.48 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.64 2giw h GLU 62 Cb 0.89 0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.16 2giw h GLU 62 CO -0.56 0.10 -0.70 1.79 -1.00 0.00 0.00 179.01 178.64 2giw h THR 63 N -0.24 1.28 -0.45 1.13 1.35 -1.77 -1.76 112.91 112.46 2giw h THR 63 Ca -0.01 -1.90 0.08 0.00 -0.55 0.00 0.00 66.41 64.03 2giw h THR 63 Cb 0.21 1.92 -0.06 0.00 -1.73 0.00 0.00 68.15 68.48 2giw h THR 63 CO 0.01 0.60 0.06 -0.07 -0.25 0.00 0.00 175.52 175.88 2giw h LEU 64 N 0.53 -0.05 0.15 3.87 4.07 -1.22 -1.15 115.31 121.52 2giw h LEU 64 Ca -0.04 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.01 2giw h LEU 64 Cb 1.32 0.13 -0.01 0.00 1.08 0.00 0.00 40.66 43.18 2giw h LEU 64 CO 0.15 0.01 -0.14 -0.03 -1.08 0.00 0.00 178.44 177.35 2giw h MET 65 N 0.19 -0.30 -0.29 1.13 4.05 -0.34 0.32 114.93 119.69 2giw h MET 65 Ca 0.22 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.70 2giw h MET 65 Cb 0.30 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.13 2giw h MET 65 CO -0.31 -0.20 0.05 1.49 0.23 0.00 0.00 176.91 178.17 2giw h GLU 66 N -0.31 0.15 0.77 0.39 4.81 -1.24 -0.83 114.58 118.32 2giw h GLU 66 Ca -0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2giw h GLU 66 Cb 0.29 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2giw h GLU 66 CO -0.03 0.10 -0.44 -0.92 -0.73 0.00 0.00 179.01 177.00 2giw h TYR 67 N 0.16 -1.15 -0.82 0.92 3.20 -0.84 -0.84 116.97 117.60 2giw h TYR 67 Ca 0.13 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.10 2giw h TYR 67 Cb 0.14 0.40 -0.06 0.00 1.54 0.00 0.00 36.73 38.75 2giw h TYR 67 CO -0.17 -0.67 0.53 -0.07 -1.64 0.00 0.00 178.16 176.14 2giw h LEU 68 N -1.12 0.62 0.43 2.82 -0.00 -0.88 0.79 115.31 117.97 2giw h LEU 68 Ca -0.10 0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 57.78 2giw h LEU 68 Cb 0.89 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.45 2giw h LEU 68 CO 0.13 0.35 -0.21 -0.08 -0.00 0.00 0.00 178.44 178.63 2giw h GLU 69 N 0.68 -0.56 -1.71 1.13 4.22 -0.80 -3.33 114.58 114.21 2giw h GLU 69 Ca 0.39 0.04 -0.47 0.00 0.08 0.00 0.00 59.36 59.40 2giw h GLU 69 Cb 0.58 0.13 -0.32 0.00 0.50 0.00 0.00 28.75 29.64 2giw h GLU 69 CO -0.16 -0.36 -0.90 -1.71 -2.18 0.00 0.00 179.01 173.70 2giw n ASN 70 N -5.33 -0.93 -0.07 1.04 2.85 -0.35 -4.11 115.26 108.36 2giw n ASN 70 Ca -0.11 -2.70 -0.12 0.00 -0.11 0.00 0.00 54.58 51.53 2giw n ASN 70 Cb 0.25 0.03 -0.05 0.00 1.24 0.00 0.00 39.78 41.25 2giw n ASN 70 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2giw h PRO 71 N 4.66 0.45 0.00 1.20 0.13 -1.10 -0.40 132.00 136.94 2giw h PRO 71 Ca 0.10 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2giw h PRO 71 Cb 0.94 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2giw h PRO 71 CO 0.36 0.73 0.00 1.63 -0.23 0.00 0.00 178.00 180.49 2giw n LYS 72 N -4.54 0.06 -0.10 0.86 5.02 -1.26 -1.37 118.16 116.83 2giw n LYS 72 Ca -0.05 0.44 -0.20 0.00 -2.02 0.00 0.00 58.31 56.48 2giw n LYS 72 Cb 0.33 -1.66 -0.11 0.00 -0.02 0.00 0.00 35.03 33.57 2giw n LYS 72 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2giw h LYS 73 N 0.00 0.00 -0.64 1.97 3.64 -1.52 -3.40 116.57 116.62 2giw h LYS 73 Ca 0.00 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 2giw h LYS 73 Cb 0.14 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 2giw h LYS 73 CO 0.00 0.95 0.34 -0.92 -2.27 0.00 0.00 179.45 177.55 2giw h TYR 74 N -1.00 0.62 -3.16 1.91 3.20 -0.73 -3.39 116.97 114.42 2giw h TYR 74 Ca -0.31 0.03 -0.67 0.00 3.14 0.00 0.00 58.73 60.92 2giw h TYR 74 Cb 1.24 -0.18 -0.34 0.00 1.54 0.00 0.00 36.73 38.99 2giw h TYR 74 CO 0.10 0.28 -0.85 0.42 -1.64 0.00 0.00 178.16 176.47 2giw s ILE 75 N -6.10 2.21 -1.19 1.81 1.01 -0.47 -5.06 121.20 113.42 2giw s ILE 75 Ca -0.13 -0.91 -0.20 0.00 0.00 0.00 0.00 60.65 59.41 2giw s ILE 75 Cb 0.16 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 2giw s ILE 75 CO 0.75 0.53 1.89 -0.81 0.00 0.00 0.00 174.94 177.31 2giw n PRO 76 N 4.36 2.23 0.00 2.79 -0.04 -1.26 -3.41 135.00 139.67 2giw n PRO 76 Ca -0.20 -2.67 0.00 0.00 -0.04 0.00 0.00 63.50 60.59 2giw n PRO 76 Cb 0.51 -3.51 0.00 0.00 -0.04 0.00 0.00 33.50 30.46 2giw n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2giw n GLY 77 N 5.34 0.68 3.73 0.55 0.00 -1.26 -4.83 105.19 109.39 2giw n GLY 77 Ca 0.48 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2giw n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2giw s THR 78 N -1.26 2.33 0.35 2.61 -1.32 -1.22 -4.69 115.64 112.44 2giw s THR 78 Ca 0.00 0.18 0.26 0.00 -1.21 0.00 0.00 61.69 60.92 2giw s THR 78 Cb 0.00 -2.87 0.27 0.00 -1.51 0.00 0.00 72.50 68.39 2giw s THR 78 CO 0.00 -0.07 2.01 0.50 -2.21 0.00 0.00 174.62 174.85 2giw h LYS 79 N 0.10 0.00 -6.68 7.08 1.63 -1.96 -3.46 116.57 113.28 2giw h LYS 79 Ca -0.49 0.00 -0.52 0.00 -0.85 0.00 0.00 60.65 58.79 2giw h LYS 79 Cb 1.30 0.00 0.04 0.00 -0.60 0.00 0.00 32.23 32.97 2giw h LYS 79 CO 0.51 0.16 0.70 1.41 -3.45 0.00 0.00 179.45 178.78 2giw s MET 80 N -4.08 4.34 -0.80 1.90 1.75 -1.26 -4.97 119.30 116.19 2giw s MET 80 Ca -0.02 2.13 -0.00 0.00 -1.25 0.00 0.00 55.69 56.55 2giw s MET 80 Cb 0.13 -3.18 0.20 0.00 2.84 0.00 0.00 34.83 34.82 2giw s MET 80 CO 0.60 -0.33 0.65 0.42 -0.65 0.00 0.00 175.02 175.71 2giw s ILE 81 N 0.21 3.87 0.15 10.11 -1.09 -1.26 -4.86 121.20 128.33 2giw s ILE 81 Ca 0.59 -3.82 -0.04 0.00 -2.23 0.00 0.00 60.65 55.15 2giw s ILE 81 Cb -0.38 -3.45 -0.03 0.00 -1.58 0.00 0.00 42.46 37.02 2giw s ILE 81 CO 0.39 -1.03 0.15 0.12 -1.23 0.00 0.00 174.94 173.33 2giw s PHE 82 N -1.16 0.72 -0.42 3.97 5.36 -1.26 -5.12 117.98 120.07 2giw s PHE 82 Ca 0.25 -1.08 0.05 0.00 -0.96 0.00 0.00 56.93 55.19 2giw s PHE 82 Cb -0.09 -0.33 0.31 0.00 -0.34 0.00 0.00 43.02 42.56 2giw s PHE 82 CO -0.12 -0.61 1.17 0.00 -1.46 0.00 0.00 175.22 174.20 2giw n ALA 83 N -0.16 -1.66 0.00 11.12 0.00 -1.26 -4.78 120.51 123.77 2giw n ALA 83 Ca -0.05 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.28 2giw n ALA 83 Cb 0.64 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.27 2giw n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2giw n GLY 84 N 0.67 -2.23 0.29 0.00 0.00 -1.25 -5.02 105.19 97.64 2giw n GLY 84 Ca 0.03 -1.42 -0.00 0.00 0.00 0.00 0.00 46.02 44.63 2giw n GLY 84 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2giw n ILE 85 N -1.42 0.02 0.08 -0.61 -0.00 -1.26 -5.05 119.36 111.12 2giw n ILE 85 Ca 0.00 0.35 0.00 0.00 -0.00 0.00 0.00 62.75 63.10 2giw n ILE 85 Cb 0.00 -1.37 0.00 0.00 -0.00 0.00 0.00 39.64 38.27 2giw n ILE 85 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2giw n LYS 86 N -2.53 0.00 0.12 6.28 4.76 -1.26 -5.06 118.16 120.48 2giw n LYS 86 Ca -0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2giw n LYS 86 Cb 0.01 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.20 2giw n LYS 86 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2giw n LYS 87 N -2.98 0.00 0.00 1.97 4.81 -1.26 -5.06 118.16 115.63 2giw n LYS 87 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2giw n LYS 87 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2giw n LYS 87 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2giw n LYS 88 N -2.98 0.00 -0.25 1.64 4.76 -1.26 -4.81 118.16 115.26 2giw n LYS 88 Ca 0.00 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 2giw n LYS 88 Cb 0.00 -0.02 -0.09 0.00 -1.84 0.00 0.00 35.03 33.09 2giw n LYS 88 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2giw h THR 89 N 0.00 0.00 -0.42 -0.18 2.02 -1.99 0.85 112.91 113.18 2giw h THR 89 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 2giw h THR 89 Cb 0.00 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 2giw h THR 89 CO 0.00 0.00 0.14 -0.33 0.37 0.00 0.00 175.52 175.70 2giw h GLU 90 N -0.16 0.61 0.00 6.66 5.08 -1.97 0.15 114.58 124.95 2giw h GLU 90 Ca 0.10 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2giw h GLU 90 Cb 0.42 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2giw h GLU 90 CO -0.67 0.53 0.00 -2.13 -1.00 0.00 0.00 179.01 175.74 2giw n ARG 91 N -4.35 0.44 -0.00 2.33 0.63 0.18 -1.24 116.66 114.64 2giw n ARG 91 Ca 0.03 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.93 2giw n ARG 91 Cb 0.17 -1.44 -0.01 0.00 0.45 0.00 0.00 32.46 31.63 2giw n ARG 91 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2giw n GLU 92 N -0.94 0.06 -0.05 -0.14 4.07 -0.28 -4.64 120.64 118.72 2giw n GLU 92 Ca 0.09 0.03 -0.10 0.00 -0.06 0.00 0.00 57.16 57.12 2giw n GLU 92 Cb 0.04 -0.60 -0.04 0.00 -0.06 0.00 0.00 31.44 30.78 2giw n GLU 92 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 2giw h ASP 93 N -0.11 -1.14 -0.38 4.31 3.32 -0.57 0.11 116.42 121.96 2giw h ASP 93 Ca -0.06 0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 2giw h ASP 93 Cb 0.87 0.50 -0.02 0.00 0.22 0.00 0.00 39.33 40.90 2giw h ASP 93 CO -0.04 -0.36 0.22 -0.07 -1.72 0.00 0.00 179.24 177.28 2giw h LEU 94 N -0.36 0.47 0.00 1.55 3.38 -1.41 0.38 115.31 119.32 2giw h LEU 94 Ca 0.12 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2giw h LEU 94 Cb 0.56 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2giw h LEU 94 CO -0.45 0.40 0.00 -0.38 0.09 0.00 0.00 178.44 178.10 2giw n ILE 95 N -4.77 0.45 -0.13 1.22 -0.00 -0.79 -1.22 119.36 114.12 2giw n ILE 95 Ca -0.00 0.11 -0.27 0.00 -0.00 0.00 0.00 62.75 62.59 2giw n ILE 95 Cb 0.06 -0.90 -0.10 0.00 -0.00 0.00 0.00 39.64 38.70 2giw n ILE 95 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2giw n ALA 96 N -1.19 1.13 0.05 -1.39 0.00 0.32 -3.88 120.51 115.54 2giw n ALA 96 Ca 0.07 -0.98 -0.12 0.00 0.00 0.00 0.00 53.44 52.42 2giw n ALA 96 Cb 0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.46 2giw n ALA 96 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2giw h TYR 97 N -0.91 -0.89 0.00 0.00 3.20 -0.71 -1.78 116.97 115.88 2giw h TYR 97 Ca -0.63 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.27 2giw h TYR 97 Cb 1.59 0.40 -0.00 0.00 1.54 0.00 0.00 36.73 40.25 2giw h TYR 97 CO -0.04 -0.41 -0.01 -0.07 -1.64 0.00 0.00 178.16 175.99 2giw h LEU 98 N -0.46 0.00 -0.24 2.82 3.38 -1.38 0.25 115.31 119.68 2giw h LEU 98 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2giw h LEU 98 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2giw h LEU 98 CO -0.29 0.01 0.00 1.17 0.09 0.00 0.00 178.44 179.42 2giw n LYS 99 N -3.16 0.07 -0.03 1.13 4.81 -0.67 -1.41 118.16 118.90 2giw n LYS 99 Ca -0.02 0.30 -0.04 0.00 -0.87 0.00 0.00 58.31 57.67 2giw n LYS 99 Cb 0.13 -1.63 -0.04 0.00 0.02 0.00 0.00 35.03 33.50 2giw n LYS 99 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2giw n LYS 100 N -1.77 0.97 -0.23 1.64 -0.00 -0.10 -4.71 118.16 113.96 2giw n LYS 100 Ca 0.03 0.03 0.01 0.00 -0.00 0.00 0.00 58.31 58.38 2giw n LYS 100 Cb 0.20 -1.15 0.13 0.00 -0.00 0.00 0.00 35.03 34.22 2giw n LYS 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2giw h ALA 101 N 0.08 0.90 0.00 0.58 0.00 -0.91 0.48 119.26 120.39 2giw h ALA 101 Ca -0.16 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2giw h ALA 101 Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2giw h ALA 101 CO -0.02 -0.13 0.24 -2.37 0.00 0.00 0.00 179.25 176.97 2giw n THR 102 N -4.93 1.00 -2.49 0.00 5.66 -0.50 -1.54 114.28 111.47 2giw n THR 102 Ca 0.10 0.57 -0.01 0.00 -3.05 0.00 0.00 64.05 61.66 2giw n THR 102 Cb 0.29 -1.57 0.03 0.00 -1.55 0.00 0.00 70.33 67.52 2giw n THR 102 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2giw n ASN 103 N -1.52 0.05 -0.40 1.09 6.94 -0.00 -4.33 115.26 117.09 2giw n ASN 103 Ca -0.00 -2.05 0.14 0.00 -0.02 0.00 0.00 54.58 52.65 2giw n ASN 103 Cb 0.24 0.04 0.60 0.00 -2.36 0.00 0.00 39.78 38.30 2giw n ASN 103 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39