#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2giw s ASP 2 N 0.00 5.50 0.08 1.61 -1.08 -1.26 -4.69 116.67 116.84 2giw s ASP 2 Ca 0.00 -0.15 -0.14 0.00 -0.52 0.00 0.00 52.55 51.74 2giw s ASP 2 Cb 0.00 -1.43 -0.18 0.00 -1.46 0.00 0.00 42.92 39.86 2giw s ASP 2 CO 0.00 0.05 1.26 1.62 0.52 0.00 0.00 175.17 178.63 2giw h VAL 3 N 1.98 1.30 0.49 1.11 3.04 -1.89 0.14 116.25 122.41 2giw h VAL 3 Ca -0.48 -2.00 -0.02 0.00 -1.01 0.00 0.00 66.70 63.19 2giw h VAL 3 Cb 1.21 2.11 0.00 0.00 -2.01 0.00 0.00 31.29 32.60 2giw h VAL 3 CO 0.63 0.62 -0.24 -0.33 -1.01 0.00 0.00 177.57 177.24 2giw h GLU 4 N 0.42 -0.63 -0.42 4.17 4.39 -1.96 -0.22 114.58 120.33 2giw h GLU 4 Ca -0.06 0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.72 2giw h GLU 4 Cb 1.41 0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 30.17 2giw h GLU 4 CO 0.16 -0.33 0.19 0.87 -1.16 0.00 0.00 179.01 178.73 2giw h LYS 5 N -0.90 0.37 0.18 2.33 1.79 -1.94 -0.55 116.57 117.84 2giw h LYS 5 Ca -0.07 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.39 2giw h LYS 5 Cb 0.59 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.12 2giw h LYS 5 CO 0.11 0.24 -0.41 0.78 -1.08 0.00 0.00 179.45 179.09 2giw h GLY 6 N 0.38 -0.87 1.44 3.86 0.00 -0.57 0.56 103.07 107.87 2giw h GLY 6 Ca 0.19 0.49 -0.07 0.00 0.00 0.00 0.00 47.33 47.94 2giw h GLY 6 CO -0.15 -0.28 -0.02 0.07 0.00 0.00 0.00 176.54 176.16 2giw h LYS 7 N -0.69 0.68 0.03 4.80 2.10 -0.77 0.15 116.57 122.87 2giw h LYS 7 Ca 0.01 -0.18 -0.00 0.00 -2.00 0.00 0.00 60.65 58.48 2giw h LYS 7 Cb 0.69 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 2giw h LYS 7 CO -0.20 0.71 -0.01 -0.22 -2.00 0.00 0.00 179.45 177.72 2giw h LYS 8 N 0.64 -0.03 -0.22 0.07 1.63 -0.83 -0.77 116.57 117.07 2giw h LYS 8 Ca 0.13 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.80 2giw h LYS 8 Cb 0.43 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.06 2giw h LYS 8 CO 0.02 0.41 -0.38 0.82 -3.45 0.00 0.00 179.45 176.88 2giw h ILE 9 N -0.50 1.32 -0.08 2.00 1.08 -0.76 0.20 117.51 120.77 2giw h ILE 9 Ca -0.00 -1.59 0.01 0.00 -0.39 0.00 0.00 64.86 62.89 2giw h ILE 9 Cb 0.46 1.80 -0.02 0.00 -3.07 0.00 0.00 36.82 36.00 2giw h ILE 9 CO 0.01 0.50 -0.13 0.15 -0.69 0.00 0.00 178.15 177.98 2giw h PHE 10 N 0.33 -0.39 -0.86 1.37 3.57 -0.76 -2.41 116.94 117.80 2giw h PHE 10 Ca 0.01 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.67 2giw h PHE 10 Cb 0.97 0.18 -0.07 0.00 2.79 0.00 0.00 35.95 39.83 2giw h PHE 10 CO 0.09 -0.12 0.56 0.28 -2.23 0.00 0.00 178.31 176.89 2giw h VAL 11 N -0.10 0.86 -0.87 1.41 2.07 -0.91 0.47 116.25 119.18 2giw h VAL 11 Ca 0.01 -0.23 0.14 0.00 0.82 0.00 0.00 66.70 67.44 2giw h VAL 11 Cb 0.14 0.11 -0.09 0.00 -1.52 0.00 0.00 31.29 29.93 2giw h VAL 11 CO -0.13 0.12 0.47 -0.61 0.02 0.00 0.00 177.57 177.44 2giw h GLN 12 N 0.68 0.65 0.00 1.57 4.15 -0.48 -3.28 115.11 118.41 2giw h GLN 12 Ca 0.42 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.80 2giw h GLN 12 Cb 0.66 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.21 2giw h GLN 12 CO -0.18 0.43 0.00 0.36 -1.93 0.00 0.00 178.83 177.51 2giw n LYS 13 N -4.83 3.34 -0.07 1.69 0.00 0.15 -4.85 118.16 113.59 2giw n LYS 13 Ca 0.17 -0.04 -0.12 0.00 -0.00 0.00 0.00 58.31 58.32 2giw n LYS 13 Cb 0.43 -0.37 -0.06 0.00 -0.00 0.00 0.00 35.03 35.03 2giw n LYS 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2giw h ALA 15 N -0.20 2.25 -1.15 0.00 0.00 -1.61 0.49 119.26 119.05 2giw h ALA 15 Ca -0.34 -0.01 0.41 0.00 0.00 0.00 0.00 54.91 54.97 2giw h ALA 15 Cb 1.43 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 19.08 2giw h ALA 15 CO -0.12 -0.35 0.69 -0.56 0.00 0.00 0.00 179.25 178.91 2giw h GLN 16 N 0.07 0.09 0.00 0.00 3.07 -1.84 -1.08 115.11 115.43 2giw h GLN 16 Ca 0.17 -0.01 -0.24 0.00 0.09 0.00 0.00 58.65 58.67 2giw h GLN 16 Cb 0.59 -0.02 -0.04 0.00 0.08 0.00 0.00 27.48 28.09 2giw h GLN 16 CO -0.01 0.06 -1.99 0.00 0.09 0.00 0.00 178.83 176.97 2giw n HIS 18 N -2.49 1.62 -1.48 0.00 8.25 -0.19 -3.36 115.22 117.57 2giw n HIS 18 Ca -0.22 -3.86 -0.41 0.00 -0.26 0.00 0.00 57.72 52.98 2giw n HIS 18 Cb 0.91 -0.43 -0.02 0.00 1.12 0.00 0.00 29.99 31.58 2giw n HIS 18 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2giw n THR 19 N 1.26 3.17 -2.17 1.59 -1.04 -0.93 -4.15 114.28 112.02 2giw n THR 19 Ca 0.25 -2.54 -0.31 0.00 -2.04 0.00 0.00 64.05 59.42 2giw n THR 19 Cb 0.46 -2.52 -0.05 0.00 -1.82 0.00 0.00 70.33 66.41 2giw n THR 19 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2giw s VAL 20 N 3.44 3.61 -0.36 12.58 0.11 -1.26 -3.23 120.40 135.30 2giw s VAL 20 Ca 0.52 -0.79 0.13 0.00 -2.93 0.00 0.00 61.98 58.91 2giw s VAL 20 Cb 0.14 -4.47 0.42 0.00 -1.53 0.00 0.00 36.38 30.94 2giw s VAL 20 CO -0.04 -1.20 1.33 1.21 -3.33 0.00 0.00 175.10 173.08 2giw n GLU 21 N 8.60 1.29 -2.48 1.54 2.13 -1.26 -4.99 120.64 125.47 2giw n GLU 21 Ca 0.42 -2.00 -0.03 0.00 0.66 0.00 0.00 57.16 56.20 2giw n GLU 21 Cb 0.47 -0.22 0.00 0.00 0.27 0.00 0.00 31.44 31.97 2giw n GLU 21 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2giw n LYS 22 N -0.81 -1.36 0.00 5.31 5.02 -1.26 -4.81 118.16 120.26 2giw n LYS 22 Ca -0.05 1.45 0.00 0.00 -2.02 0.00 0.00 58.31 57.69 2giw n LYS 22 Cb 0.85 -4.38 0.00 0.00 -0.02 0.00 0.00 35.03 31.48 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 -0.80 0.98 0.20 0.72 0.00 -1.26 -5.06 105.19 99.97 2giw n GLY 23 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 2giw n GLY 23 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2giw h GLY 24 N 0.00 0.39 -1.31 -0.02 0.00 -1.86 -3.50 103.07 96.78 2giw h GLY 24 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2giw h GLY 24 CO 0.00 0.36 -0.31 1.17 0.00 0.00 0.00 176.54 177.76 2giw n LYS 25 N -4.00 -1.63 -1.11 4.80 3.00 -1.26 -4.56 118.16 113.39 2giw n LYS 25 Ca -0.02 1.20 -0.18 0.00 -0.00 0.00 0.00 58.31 59.32 2giw n LYS 25 Cb 0.52 -1.34 -0.14 0.00 0.00 0.00 0.00 35.03 34.07 2giw n LYS 25 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2giw n HIS 26 N -0.65 0.56 -2.63 5.64 8.25 -1.26 -4.55 115.22 120.58 2giw n HIS 26 Ca 0.00 -1.80 -0.42 0.00 -0.26 0.00 0.00 57.72 55.24 2giw n HIS 26 Cb 0.00 -1.72 -0.03 0.00 1.12 0.00 0.00 29.99 29.36 2giw n HIS 26 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2giw s LYS 27 N 0.88 3.39 -0.56 -0.41 2.20 -1.26 -4.10 119.74 119.89 2giw s LYS 27 Ca 0.66 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 2giw s LYS 27 Cb 0.30 -4.75 0.00 0.00 -1.51 0.00 0.00 37.83 31.88 2giw s LYS 27 CO -0.03 -2.10 0.00 2.41 -0.36 0.00 0.00 175.35 175.27 2giw n THR 28 N 6.45 0.00 0.00 3.43 -1.04 -1.26 -4.40 114.28 117.46 2giw n THR 28 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 2giw n THR 28 Cb 0.49 -0.89 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 2giw n THR 28 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2giw n GLY 29 N -1.27 1.32 3.74 3.41 0.00 -1.21 -4.88 105.19 106.30 2giw n GLY 29 Ca -0.05 0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2giw n GLY 29 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2giw s PRO 30 N -0.50 4.72 0.20 1.61 0.04 -1.26 -4.39 135.00 135.42 2giw s PRO 30 Ca 0.00 1.58 -0.32 0.00 0.04 0.00 0.00 61.00 62.29 2giw s PRO 30 Cb 0.00 -3.29 -0.13 0.00 0.04 0.00 0.00 34.50 31.12 2giw s PRO 30 CO 0.00 0.29 1.60 0.27 0.04 0.00 0.00 177.00 179.20 2giw n ASN 31 N 2.00 3.42 -2.02 6.66 2.04 -1.26 -4.81 115.26 121.29 2giw n ASN 31 Ca 0.00 1.09 -0.12 0.00 -0.44 0.00 0.00 54.58 55.12 2giw n ASN 31 Cb 0.47 -1.49 -0.16 0.00 -2.53 0.00 0.00 39.78 36.06 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 3.25 5.08 -4.28 -4.53 4.77 -1.26 -4.81 117.00 115.22 2giw n LEU 32 Ca 0.15 -3.10 -0.41 0.00 -0.03 0.00 0.00 56.01 52.62 2giw n LEU 32 Cb 0.32 -1.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.02 2giw n LEU 32 CO 0.63 1.63 2.14 1.57 -1.33 0.00 0.00 177.39 182.03 2giw n HIS 33 N 2.52 3.97 -0.18 -1.77 -0.00 -1.26 -4.28 115.22 114.22 2giw n HIS 33 Ca 0.42 -2.66 0.00 0.00 0.46 0.00 0.00 57.72 55.93 2giw n HIS 33 Cb 0.89 -2.56 0.00 0.00 -0.12 0.00 0.00 29.99 28.20 2giw n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2giw n GLY 34 N 5.02 -0.17 0.08 1.57 0.00 -1.26 -5.11 105.19 105.33 2giw n GLY 34 Ca 0.49 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2giw n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2giw n LEU 35 N 0.00 0.00 -4.38 0.99 4.32 -1.26 -4.64 117.00 112.02 2giw n LEU 35 Ca 0.00 0.00 -0.52 0.00 -0.02 0.00 0.00 56.01 55.47 2giw n LEU 35 Cb 0.00 -0.05 -0.10 0.00 -1.62 0.00 0.00 43.42 41.65 2giw n LEU 35 CO 0.00 -0.09 1.86 0.49 -1.22 0.00 0.00 177.39 178.43 2giw n PHE 36 N -1.50 1.24 0.00 -1.77 3.72 -1.14 -0.17 117.46 117.83 2giw n PHE 36 Ca 0.00 0.48 0.00 0.00 -0.05 0.00 0.00 57.45 57.88 2giw n PHE 36 Cb 0.00 -2.42 0.00 0.00 -0.94 0.00 0.00 39.48 36.12 2giw n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2giw n GLY 37 N 6.88 2.97 3.63 1.37 0.00 -0.38 -5.02 105.19 114.65 2giw n GLY 37 Ca 0.51 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 4.03 0.04 1.61 3.52 0.76 -4.91 118.95 124.00 2giw s ARG 38 Ca 0.00 0.92 -0.30 0.00 -0.13 0.00 0.00 55.73 56.22 2giw s ARG 38 Cb 0.00 -3.73 -0.07 0.00 -1.56 0.00 0.00 34.95 29.59 2giw s ARG 38 CO 0.00 -0.83 1.51 -1.59 -0.81 0.00 0.00 175.30 173.58 2giw s LYS 39 N 3.42 4.25 0.00 5.12 0.00 -1.26 -4.04 119.74 127.23 2giw s LYS 39 Ca 0.41 2.13 0.00 0.00 0.00 0.00 0.00 55.97 58.52 2giw s LYS 39 Cb -0.13 -3.56 0.00 0.00 0.00 0.00 0.00 37.83 34.15 2giw s LYS 39 CO 0.14 -0.64 0.00 -2.37 0.00 0.00 0.00 175.35 172.49 2giw n THR 40 N 4.64 0.00 -1.85 3.79 5.66 0.05 -4.66 114.28 121.89 2giw n THR 40 Ca 0.14 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.05 2giw n THR 40 Cb 0.42 -1.90 -0.02 0.00 -1.55 0.00 0.00 70.33 67.28 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 4.95 0.38 0.00 1.09 0.00 -1.26 -4.34 105.19 106.01 2giw n GLY 41 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.19 0.00 -4.37 1.61 7.27 -1.26 -4.79 117.38 113.65 2giw n GLN 42 Ca -0.10 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 56.73 2giw n GLN 42 Cb 0.48 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 33.05 2giw n GLN 42 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2giw s ALA 43 N 0.00 2.97 0.33 1.69 0.00 -1.26 -5.03 121.76 120.46 2giw s ALA 43 Ca 0.00 -1.76 0.09 0.00 0.00 0.00 0.00 51.96 50.29 2giw s ALA 43 Cb 0.00 -0.54 0.57 0.00 0.00 0.00 0.00 23.12 23.15 2giw s ALA 43 CO 0.00 0.27 1.76 -1.00 0.00 0.00 0.00 175.76 176.79 2giw h PRO 44 N 2.06 0.15 0.00 0.00 0.13 -2.02 -3.41 132.00 128.91 2giw h PRO 44 Ca -0.42 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2giw h PRO 44 Cb 1.25 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2giw h PRO 44 CO 0.60 0.51 0.00 0.41 -0.23 0.00 0.00 178.00 179.29 2giw n GLY 45 N -0.32 0.83 3.51 1.56 0.00 -1.26 -4.93 105.19 104.58 2giw n GLY 45 Ca -0.01 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2giw n GLY 45 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2giw n PHE 46 N 0.00 3.06 0.07 1.61 7.35 -1.26 -4.76 117.46 123.53 2giw n PHE 46 Ca 0.00 -1.81 -0.07 0.00 -0.76 0.00 0.00 57.45 54.80 2giw n PHE 46 Cb 0.00 -2.53 0.04 0.00 0.35 0.00 0.00 39.48 37.34 2giw n PHE 46 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 2giw n THR 47 N 7.27 1.85 -1.29 -2.13 5.66 -1.26 -4.73 114.28 119.64 2giw n THR 47 Ca 0.46 -0.71 0.17 0.00 -3.05 0.00 0.00 64.05 60.93 2giw n THR 47 Cb 0.46 -1.01 -0.05 0.00 -1.55 0.00 0.00 70.33 68.18 2giw n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2giw n TYR 48 N 0.26 -3.23 -2.02 1.09 4.11 -1.26 -4.36 117.16 111.75 2giw n TYR 48 Ca 0.17 1.62 -0.37 0.00 -0.00 0.00 0.00 57.90 59.31 2giw n TYR 48 Cb 0.75 -2.94 0.02 0.00 -0.00 0.00 0.00 39.34 37.17 2giw n TYR 48 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 2giw s THR 49 N -2.21 2.59 0.30 -3.48 -4.23 -1.26 -4.70 115.64 102.66 2giw s THR 49 Ca 0.00 0.43 0.01 0.00 -1.18 0.00 0.00 61.69 60.95 2giw s THR 49 Cb 0.00 -3.21 0.40 0.00 1.34 0.00 0.00 72.50 71.03 2giw s THR 49 CO 0.00 -0.03 1.58 -0.78 -0.54 0.00 0.00 174.62 174.85 2giw h ASP 50 N 1.53 -0.45 -0.97 3.99 1.82 -1.92 0.22 116.42 120.65 2giw h ASP 50 Ca -0.50 0.27 0.11 0.00 -0.39 0.00 0.00 57.03 56.52 2giw h ASP 50 Cb 1.28 0.47 -0.08 0.00 0.68 0.00 0.00 39.33 41.68 2giw h ASP 50 CO 0.58 -0.33 0.62 0.00 -1.61 0.00 0.00 179.24 178.49 2giw h ALA 51 N 1.95 1.56 0.23 -0.78 0.00 -1.90 0.52 119.26 120.84 2giw h ALA 51 Ca 0.58 0.01 -0.34 0.00 0.00 0.00 0.00 54.91 55.15 2giw h ALA 51 Cb 1.18 -0.22 0.03 0.00 0.00 0.00 0.00 17.79 18.78 2giw h ALA 51 CO -0.89 0.23 -1.58 -0.91 0.00 0.00 0.00 179.25 176.09 2giw h ASN 52 N 0.97 0.77 -0.22 0.00 4.21 -1.03 -3.33 115.58 116.95 2giw h ASN 52 Ca 0.46 -0.92 -0.00 0.00 1.21 0.00 0.00 56.30 57.05 2giw h ASN 52 Cb 0.44 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.37 2giw h ASN 52 CO -0.22 1.74 0.13 0.50 -1.29 0.00 0.00 177.43 178.29 2giw h LYS 53 N 0.13 0.32 0.00 0.81 1.63 0.14 -2.47 116.57 117.13 2giw h LYS 53 Ca -0.29 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.42 2giw h LYS 53 Cb 2.15 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 33.70 2giw h LYS 53 CO 0.24 0.24 -0.30 -0.97 -3.45 0.00 0.00 179.45 175.21 2giw h ASN 54 N 0.33 0.00 0.63 4.20 -0.73 -0.09 -3.38 115.58 116.54 2giw h ASN 54 Ca 0.09 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.22 2giw h ASN 54 Cb 0.01 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.61 2giw h ASN 54 CO -0.01 0.30 -0.30 0.11 -0.37 0.00 0.00 177.43 177.15 2giw h LYS 55 N 0.00 -0.82 -5.62 6.67 1.79 -1.58 -3.48 116.57 113.53 2giw h LYS 55 Ca -0.00 0.06 -0.29 0.00 -2.18 0.00 0.00 60.65 58.24 2giw h LYS 55 Cb 0.92 0.19 0.17 0.00 -1.58 0.00 0.00 32.23 31.93 2giw h LYS 55 CO 0.04 -0.54 -0.87 0.41 -1.08 0.00 0.00 179.45 177.41 2giw n GLY 56 N -1.38 -1.13 3.70 3.86 0.00 -1.26 -4.99 105.19 103.99 2giw n GLY 56 Ca -0.13 0.56 -0.26 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.40 2.18 -0.51 -0.61 -4.36 -1.26 -4.91 121.20 108.33 2giw s ILE 57 Ca 0.46 -1.81 0.14 0.00 -0.26 0.00 0.00 60.65 59.18 2giw s ILE 57 Cb -0.08 -2.99 0.75 0.00 1.25 0.00 0.00 42.46 41.38 2giw s ILE 57 CO 0.77 0.00 1.65 0.41 0.24 0.00 0.00 174.94 178.00 2giw n THR 58 N -1.14 2.37 -3.71 8.37 -1.04 -1.26 -0.77 114.28 117.10 2giw n THR 58 Ca -0.03 -1.26 -0.21 0.00 -2.04 0.00 0.00 64.05 60.52 2giw n THR 58 Cb 0.65 -0.20 -0.02 0.00 -1.82 0.00 0.00 70.33 68.95 2giw n THR 58 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2giw n TRP 59 N 0.70 -0.69 -2.15 -1.42 5.03 -1.26 -1.25 117.44 116.41 2giw n TRP 59 Ca 0.26 0.16 -0.27 0.00 3.03 0.00 0.00 57.50 60.67 2giw n TRP 59 Cb 1.07 -1.45 0.06 0.00 -1.03 0.00 0.00 31.31 29.96 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 -5.85 2.45 0.00 -0.99 -2.85 -1.26 -2.87 119.74 108.37 2giw s LYS 60 Ca 0.14 -0.02 -0.03 0.00 -1.00 0.00 0.00 55.97 55.07 2giw s LYS 60 Cb -0.08 -2.14 -0.13 0.00 -2.06 0.00 0.00 37.83 33.42 2giw s LYS 60 CO 0.52 -1.12 2.54 -0.85 0.10 0.00 0.00 175.35 176.53 2giw n GLU 61 N -2.91 1.34 0.14 1.78 0.28 -1.26 -2.11 120.64 117.89 2giw n GLU 61 Ca 0.07 -0.50 0.00 0.00 -0.16 0.00 0.00 57.16 56.57 2giw n GLU 61 Cb 0.59 -1.58 0.00 0.00 1.43 0.00 0.00 31.44 31.89 2giw n GLU 61 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2giw n GLU 62 N 2.17 0.00 -0.26 3.44 1.02 -1.26 -4.78 120.64 120.97 2giw n GLU 62 Ca 0.21 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.28 2giw n GLU 62 Cb 0.63 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 32.10 2giw n GLU 62 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2giw h THR 63 N 0.00 1.26 -0.93 2.62 1.35 -1.91 -1.47 112.91 113.83 2giw h THR 63 Ca 0.00 -0.94 0.07 0.00 -0.55 0.00 0.00 66.41 64.98 2giw h THR 63 Cb 0.00 0.50 -0.06 0.00 -1.73 0.00 0.00 68.15 66.85 2giw h THR 63 CO 0.00 0.37 0.59 -0.07 -0.25 0.00 0.00 175.52 176.16 2giw h LEU 64 N 1.08 0.94 -0.21 3.87 3.38 -1.74 -0.80 115.31 121.82 2giw h LEU 64 Ca 0.23 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 2giw h LEU 64 Cb 0.34 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2giw h LEU 64 CO -0.00 0.60 0.02 -0.03 0.09 0.00 0.00 178.44 179.11 2giw h MET 65 N 1.07 0.36 -0.11 1.13 4.05 -1.55 -0.27 114.93 119.63 2giw h MET 65 Ca 0.41 -0.11 0.01 0.00 -0.28 0.00 0.00 59.70 59.73 2giw h MET 65 Cb 0.18 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.93 2giw h MET 65 CO -0.18 0.54 0.05 1.49 0.23 0.00 0.00 176.91 179.04 2giw h GLU 66 N 0.14 0.11 0.22 0.39 4.81 -1.08 -0.90 114.58 118.26 2giw h GLU 66 Ca 0.06 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2giw h GLU 66 Cb 0.36 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 2giw h GLU 66 CO 0.01 0.07 -0.36 -0.92 -0.73 0.00 0.00 179.01 177.08 2giw h TYR 67 N 0.11 -1.02 -0.32 0.92 3.20 -1.04 -0.38 116.97 118.45 2giw h TYR 67 Ca 0.04 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2giw h TYR 67 Cb 0.01 0.41 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 2giw h TYR 67 CO -0.09 -0.44 0.20 -0.07 -1.64 0.00 0.00 178.16 176.12 2giw h LEU 68 N -0.61 0.37 0.27 2.82 -0.00 -0.98 0.14 115.31 117.31 2giw h LEU 68 Ca -0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.83 2giw h LEU 68 Cb 0.56 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 2giw h LEU 68 CO -0.12 0.28 -0.13 -0.08 -0.00 0.00 0.00 178.44 178.39 2giw h GLU 69 N 0.43 -0.34 -2.04 1.13 4.22 -0.99 -3.42 114.58 113.58 2giw h GLU 69 Ca 0.12 0.02 -0.53 0.00 0.08 0.00 0.00 59.36 59.05 2giw h GLU 69 Cb -0.03 0.08 -0.40 0.00 0.50 0.00 0.00 28.75 28.90 2giw h GLU 69 CO -0.02 -0.08 -1.07 -1.71 -2.18 0.00 0.00 179.01 173.95 2giw n ASN 70 N -5.15 1.10 -0.10 1.04 2.85 -0.17 -3.66 115.26 111.18 2giw n ASN 70 Ca -0.10 -2.97 -0.11 0.00 -0.11 0.00 0.00 54.58 51.30 2giw n ASN 70 Cb 0.23 -0.63 -0.03 0.00 1.24 0.00 0.00 39.78 40.59 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 3.51 0.49 -0.11 1.20 0.13 -0.96 -0.03 132.00 136.24 2giw h PRO 71 Ca 0.10 -0.14 0.03 0.00 -0.87 0.00 0.00 66.00 65.13 2giw h PRO 71 Cb 0.87 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 2giw h PRO 71 CO 0.54 0.60 0.12 1.57 -0.23 0.00 0.00 178.00 180.60 2giw h LYS 72 N 0.31 0.00 0.05 0.86 2.10 -1.75 -0.52 116.57 117.63 2giw h LYS 72 Ca 0.09 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.52 2giw h LYS 72 Cb 0.35 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.66 2giw h LYS 72 CO 0.01 0.00 -1.18 -0.22 -2.00 0.00 0.00 179.45 176.05 2giw h LYS 73 N 0.00 0.11 -0.95 0.07 3.11 -1.51 -3.22 116.57 114.18 2giw h LYS 73 Ca 0.05 -0.20 0.10 0.00 -2.81 0.00 0.00 60.65 57.80 2giw h LYS 73 Cb 0.30 0.07 -0.07 0.00 -1.00 0.00 0.00 32.23 31.53 2giw h LYS 73 CO -0.00 1.09 0.61 -0.92 -2.81 0.00 0.00 179.45 177.42 2giw h TYR 74 N -0.65 1.07 -3.27 1.91 3.20 -0.67 -3.37 116.97 115.18 2giw h TYR 74 Ca -0.28 0.03 -0.56 0.00 3.14 0.00 0.00 58.73 61.05 2giw h TYR 74 Cb 1.49 -0.34 -0.40 0.00 1.54 0.00 0.00 36.73 39.02 2giw h TYR 74 CO 0.13 0.47 -0.76 0.42 -1.64 0.00 0.00 178.16 176.78 2giw s ILE 75 N -5.90 0.84 -0.68 1.81 1.01 -0.24 -5.05 121.20 112.99 2giw s ILE 75 Ca -0.11 -1.05 -0.26 0.00 0.00 0.00 0.00 60.65 59.22 2giw s ILE 75 Cb 0.21 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 2giw s ILE 75 CO 0.80 -0.41 1.74 -2.16 0.00 0.00 0.00 174.94 174.91 2giw s PRO 76 N 1.68 2.76 0.00 2.79 0.04 -1.22 -3.60 135.00 137.45 2giw s PRO 76 Ca 0.03 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.37 2giw s PRO 76 Cb -0.17 -4.44 0.00 0.00 0.04 0.00 0.00 34.50 29.92 2giw s PRO 76 CO -0.16 -2.67 0.00 0.41 0.04 0.00 0.00 177.00 174.62 2giw n GLY 77 N 5.79 0.70 3.86 0.56 0.00 -1.26 -4.89 105.19 109.96 2giw n GLY 77 Ca 0.19 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.88 4.72 -2.00 2.61 -1.32 -1.24 -4.63 115.64 111.91 2giw s THR 78 Ca 0.00 0.79 0.15 0.00 -1.21 0.00 0.00 61.69 61.42 2giw s THR 78 Cb 0.00 -3.69 0.43 0.00 -1.51 0.00 0.00 72.50 67.72 2giw s THR 78 CO 0.00 -0.44 1.52 1.17 -2.21 0.00 0.00 174.62 174.66 2giw n LYS 79 N -1.04 0.92 0.05 7.08 4.81 -1.26 -3.90 118.16 124.82 2giw n LYS 79 Ca 0.03 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.51 2giw n LYS 79 Cb 0.54 -1.25 0.43 0.00 0.02 0.00 0.00 35.03 34.77 2giw n LYS 79 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 2giw h MET 80 N 0.00 0.43 -6.16 1.64 4.05 -1.93 -3.48 114.93 109.48 2giw h MET 80 Ca 0.00 -0.04 -0.31 0.00 -0.28 0.00 0.00 59.70 59.07 2giw h MET 80 Cb 0.00 -0.09 0.02 0.00 -0.80 0.00 0.00 31.60 30.73 2giw h MET 80 CO 0.00 0.34 -0.68 -0.89 0.23 0.00 0.00 176.91 175.91 2giw n ILE 81 N -4.44 -6.27 -3.80 1.77 2.08 -1.25 -5.02 119.36 102.44 2giw n ILE 81 Ca 0.02 -0.29 -0.10 0.00 0.56 0.00 0.00 62.75 62.94 2giw n ILE 81 Cb 0.11 -4.63 -0.07 0.00 -0.75 0.00 0.00 39.64 34.30 2giw n ILE 81 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 2giw s PHE 82 N -3.09 0.03 -0.41 1.39 5.36 -1.26 -5.13 117.98 114.86 2giw s PHE 82 Ca 0.10 -0.34 -0.01 0.00 -0.96 0.00 0.00 56.93 55.72 2giw s PHE 82 Cb -0.04 0.02 0.20 0.00 -0.34 0.00 0.00 43.02 42.86 2giw s PHE 82 CO 0.84 -0.53 0.93 0.00 -1.46 0.00 0.00 175.22 175.00 2giw s ALA 83 N -3.30 -3.47 0.09 11.12 0.00 -1.26 -4.08 121.76 120.86 2giw s ALA 83 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2giw s ALA 83 Cb 0.02 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.27 2giw s ALA 83 CO -0.08 -2.40 0.00 0.41 0.00 0.00 0.00 175.76 173.69 2giw n GLY 84 N 2.86 -2.08 1.72 0.00 0.00 -1.24 -5.02 105.19 101.42 2giw n GLY 84 Ca 0.14 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2giw n GLY 84 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2giw n ILE 85 N -1.86 0.00 0.02 -0.61 3.06 -1.26 -5.06 119.36 113.65 2giw n ILE 85 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 2giw n ILE 85 Cb 0.19 -0.02 0.00 0.00 0.54 0.00 0.00 39.64 40.34 2giw n ILE 85 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 2giw n LYS 86 N -2.36 0.00 0.10 9.51 4.81 -1.26 -5.10 118.16 123.86 2giw n LYS 86 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2giw n LYS 86 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2giw n LYS 86 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2giw n LYS 87 N -2.63 0.00 0.19 1.64 3.00 -1.26 -5.05 118.16 114.05 2giw n LYS 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2giw n LYS 87 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2giw n LYS 87 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2giw n LYS 88 N -3.02 0.00 -0.32 1.64 0.00 -1.26 -4.98 118.16 110.22 2giw n LYS 88 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 58.31 58.51 2giw n LYS 88 Cb 0.00 0.00 0.40 0.00 0.00 0.00 0.00 35.03 35.43 2giw n LYS 88 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 2giw h THR 89 N 0.00 0.14 -0.85 3.15 2.02 -2.00 0.27 112.91 115.64 2giw h THR 89 Ca 0.00 -0.04 0.07 0.00 0.77 0.00 0.00 66.41 67.22 2giw h THR 89 Cb 0.00 0.02 -0.07 0.00 -1.74 0.00 0.00 68.15 66.36 2giw h THR 89 CO 0.00 0.02 0.51 -0.08 0.37 0.00 0.00 175.52 176.34 2giw h GLU 90 N 0.11 0.88 0.00 6.66 4.57 -1.98 0.11 114.58 124.92 2giw h GLU 90 Ca 0.67 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.80 2giw h GLU 90 Cb 1.54 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.93 2giw h GLU 90 CO -0.76 0.58 -0.00 0.07 -1.18 0.00 0.00 179.01 177.71 2giw h ARG 91 N 0.90 0.00 0.01 1.92 0.11 -0.85 0.09 114.38 116.57 2giw h ARG 91 Ca 0.38 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 60.15 2giw h ARG 91 Cb 0.25 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.27 2giw h ARG 91 CO -0.20 0.00 -1.90 -1.91 0.10 0.00 0.00 179.97 176.07 2giw n GLU 92 N -3.19 0.65 0.13 0.08 4.07 0.29 -3.25 120.64 119.42 2giw n GLU 92 Ca -0.03 0.23 -0.06 0.00 -0.06 0.00 0.00 57.16 57.24 2giw n GLU 92 Cb 0.10 -1.72 -0.03 0.00 -0.06 0.00 0.00 31.44 29.73 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 0.01 -0.34 -0.57 4.31 3.32 -0.70 0.40 116.42 122.85 2giw h ASP 93 Ca -0.36 0.01 0.10 0.00 0.02 0.00 0.00 57.03 56.80 2giw h ASP 93 Cb 2.06 0.09 -0.11 0.00 0.22 0.00 0.00 39.33 41.59 2giw h ASP 93 CO 0.07 0.04 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.22 2giw h LEU 94 N -0.96 -1.15 0.00 1.55 -0.00 -1.19 0.05 115.31 113.60 2giw h LEU 94 Ca -0.04 0.22 0.00 0.00 -0.00 0.00 0.00 57.88 58.06 2giw h LEU 94 Cb 0.30 0.57 0.00 0.00 -0.00 0.00 0.00 40.66 41.53 2giw h LEU 94 CO 0.07 -0.31 0.00 -0.38 -0.00 0.00 0.00 178.44 177.82 2giw n ILE 95 N -5.43 0.39 -0.05 1.22 2.08 -1.20 -1.23 119.36 115.13 2giw n ILE 95 Ca 0.04 0.10 -0.21 0.00 0.56 0.00 0.00 62.75 63.23 2giw n ILE 95 Cb 0.35 -0.72 -0.13 0.00 -0.75 0.00 0.00 39.64 38.39 2giw n ILE 95 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2giw h ALA 96 N 2.93 0.28 0.26 -1.39 0.00 -1.03 -3.27 119.26 117.04 2giw h ALA 96 Ca 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 54.91 53.71 2giw h ALA 96 Cb 0.28 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2giw h ALA 96 CO 0.00 0.86 -0.41 -0.92 0.00 0.00 0.00 179.25 178.78 2giw h TYR 97 N -0.58 -1.13 0.00 0.00 3.20 -0.72 -2.91 116.97 114.83 2giw h TYR 97 Ca -0.35 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.53 2giw h TYR 97 Cb 1.58 0.46 -0.00 0.00 1.54 0.00 0.00 36.73 40.31 2giw h TYR 97 CO 0.11 -0.54 -0.05 -0.07 -1.64 0.00 0.00 178.16 175.97 2giw h LEU 98 N -0.74 0.00 -0.82 2.82 3.38 -1.34 0.99 115.31 119.60 2giw h LEU 98 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2giw h LEU 98 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2giw h LEU 98 CO -0.15 0.05 0.00 0.29 0.09 0.00 0.00 178.44 178.72 2giw n LYS 99 N -3.58 0.16 -0.06 1.13 5.02 -1.10 -2.11 118.16 117.62 2giw n LYS 99 Ca -0.02 0.47 -0.08 0.00 -2.02 0.00 0.00 58.31 56.66 2giw n LYS 99 Cb 0.15 -1.86 -0.08 0.00 -0.02 0.00 0.00 35.03 33.22 2giw n LYS 99 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2giw n LYS 100 N -2.17 1.35 -0.22 1.97 2.85 0.16 -4.68 118.16 117.43 2giw n LYS 100 Ca 0.01 0.03 0.01 0.00 -1.05 0.00 0.00 58.31 57.32 2giw n LYS 100 Cb 0.17 -1.29 0.12 0.00 -0.65 0.00 0.00 35.03 33.38 2giw n LYS 100 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2giw h ALA 101 N 0.32 0.85 0.00 0.58 0.00 -0.71 0.17 119.26 120.47 2giw h ALA 101 Ca -0.32 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2giw h ALA 101 Cb 1.62 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2giw h ALA 101 CO -0.01 -0.19 0.18 1.79 0.00 0.00 0.00 179.25 181.02 2giw h THR 102 N 0.43 0.00 -0.25 0.00 1.35 -1.68 -1.30 112.91 111.45 2giw h THR 102 Ca 0.33 0.00 -0.22 0.00 -0.55 0.00 0.00 66.41 65.97 2giw h THR 102 Cb 0.43 0.72 -0.31 0.00 -1.73 0.00 0.00 68.15 67.25 2giw h THR 102 CO -0.33 0.00 -0.90 -0.46 -0.25 0.00 0.00 175.52 173.58 2giw n ASN 103 N -2.79 2.02 -0.37 5.36 0.23 0.43 -4.55 115.26 115.59 2giw n ASN 103 Ca -0.02 -2.75 0.14 0.00 -0.53 0.00 0.00 54.58 51.42 2giw n ASN 103 Cb 0.23 -0.41 0.62 0.00 -2.08 0.00 0.00 39.78 38.15 2giw n ASN 103 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71