#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 0.00 0.05 1.61 9.92 -1.26 -4.67 116.55 122.21 2giw n ASP 2 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2giw n ASP 2 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2giw n ASP 2 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 2giw n VAL 3 N 0.00 0.00 0.03 2.53 3.14 -1.26 -4.71 118.33 118.06 2giw n VAL 3 Ca 0.00 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.26 2giw n VAL 3 Cb 0.00 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.70 2giw n VAL 3 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2giw h GLU 4 N 0.00 0.01 -0.87 1.45 4.39 -1.95 -1.13 114.58 116.47 2giw h GLU 4 Ca 0.00 -0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.86 2giw h GLU 4 Cb 0.00 -0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.55 2giw h GLU 4 CO 0.00 0.12 0.45 0.87 -1.16 0.00 0.00 179.01 179.29 2giw h LYS 5 N -0.11 0.58 0.14 2.33 1.57 -1.93 -0.08 116.57 119.07 2giw h LYS 5 Ca 0.00 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2giw h LYS 5 Cb 0.11 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2giw h LYS 5 CO -0.00 0.39 -0.16 0.78 -0.57 0.00 0.00 179.45 179.88 2giw h GLY 6 N 0.60 -0.33 2.00 3.86 0.00 -1.47 0.45 103.07 108.18 2giw h GLY 6 Ca 0.49 0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.99 2giw h GLY 6 CO -0.39 -0.16 -0.09 0.07 0.00 0.00 0.00 176.54 175.97 2giw h LYS 7 N -0.35 0.00 0.02 4.80 2.10 -0.05 0.10 116.57 123.20 2giw h LYS 7 Ca 0.01 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.53 2giw h LYS 7 Cb 0.34 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 2giw h LYS 7 CO -0.06 0.09 -0.68 -0.22 -2.00 0.00 0.00 179.45 176.57 2giw h LYS 8 N 0.00 0.05 -0.13 0.07 3.11 -0.61 -3.16 116.57 115.89 2giw h LYS 8 Ca -0.00 -0.08 -0.21 0.00 -2.81 0.00 0.00 60.65 57.55 2giw h LYS 8 Cb 0.33 0.03 0.01 0.00 -1.00 0.00 0.00 32.23 31.60 2giw h LYS 8 CO 0.01 1.04 -0.75 0.82 -2.81 0.00 0.00 179.45 177.76 2giw h ILE 9 N -0.88 1.29 -0.22 2.00 2.04 -0.73 -0.03 117.51 120.99 2giw h ILE 9 Ca -0.17 -1.96 0.03 0.00 1.00 0.00 0.00 64.86 63.75 2giw h ILE 9 Cb 1.24 2.05 -0.05 0.00 -0.74 0.00 0.00 36.82 39.32 2giw h ILE 9 CO -0.06 0.62 -0.37 0.15 0.00 0.00 0.00 178.15 178.48 2giw h PHE 10 N 0.46 -1.13 -0.97 1.37 3.57 -0.99 -1.89 116.94 117.36 2giw h PHE 10 Ca -0.06 0.05 0.12 0.00 3.53 0.00 0.00 57.97 61.61 2giw h PHE 10 Cb 1.39 0.52 -0.08 0.00 2.79 0.00 0.00 35.95 40.56 2giw h PHE 10 CO 0.09 -0.34 0.60 0.28 -2.23 0.00 0.00 178.31 176.71 2giw h VAL 11 N -0.31 0.91 -0.47 1.41 2.07 -1.46 0.47 116.25 118.88 2giw h VAL 11 Ca 0.04 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 67.30 2giw h VAL 11 Cb 0.42 -0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.00 2giw h VAL 11 CO -0.37 0.17 0.12 -0.61 0.02 0.00 0.00 177.57 176.91 2giw h GLN 12 N 0.95 0.26 0.00 1.57 4.15 -0.24 -3.10 115.11 118.71 2giw h GLN 12 Ca 0.48 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.89 2giw h GLN 12 Cb 0.48 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.11 2giw h GLN 12 CO -0.27 0.17 -0.88 1.63 -1.93 0.00 0.00 178.83 177.56 2giw n LYS 13 N -5.07 2.23 -0.09 1.69 5.02 -0.51 -4.74 118.16 116.70 2giw n LYS 13 Ca 0.04 -0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 2giw n LYS 13 Cb 0.21 -1.02 -0.08 0.00 -0.02 0.00 0.00 35.03 34.11 2giw n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2giw h ALA 15 N -0.08 1.99 -1.20 0.00 0.00 -1.50 0.14 119.26 118.60 2giw h ALA 15 Ca -0.41 0.03 0.36 0.00 0.00 0.00 0.00 54.91 54.89 2giw h ALA 15 Cb 1.60 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 19.22 2giw h ALA 15 CO -0.09 -0.29 0.78 0.37 0.00 0.00 0.00 179.25 180.02 2giw h GLN 16 N 0.56 0.20 0.00 0.00 4.15 -1.82 -0.93 115.11 117.28 2giw h GLN 16 Ca 0.50 -0.01 -0.34 0.00 0.77 0.00 0.00 58.65 59.56 2giw h GLN 16 Cb 1.01 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.59 2giw h GLN 16 CO -0.24 0.14 -2.28 0.00 -1.93 0.00 0.00 178.83 174.52 2giw s HIS 18 N -2.45 1.87 -1.57 0.00 3.76 0.23 -0.45 115.29 116.69 2giw s HIS 18 Ca -0.13 -2.53 -0.10 0.00 -0.15 0.00 0.00 55.06 52.15 2giw s HIS 18 Cb 0.06 -1.59 -0.04 0.00 1.11 0.00 0.00 32.58 32.12 2giw s HIS 18 CO 0.72 -0.75 2.76 0.25 -0.85 0.00 0.00 174.74 176.88 2giw n THR 19 N 2.91 4.22 -2.83 1.30 -2.24 -1.19 -4.08 114.28 112.37 2giw n THR 19 Ca 0.21 -2.82 -0.43 0.00 -2.27 0.00 0.00 64.05 58.73 2giw n THR 19 Cb 0.40 -2.57 -0.01 0.00 -2.10 0.00 0.00 70.33 66.05 2giw n THR 19 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2giw s VAL 20 N 2.10 4.62 0.05 2.28 0.11 -1.26 -2.79 120.40 125.50 2giw s VAL 20 Ca 0.64 -1.87 0.00 0.00 -2.93 0.00 0.00 61.98 57.82 2giw s VAL 20 Cb 0.17 -4.93 0.00 0.00 -1.53 0.00 0.00 36.38 30.09 2giw s VAL 20 CO -0.07 -1.69 0.00 1.21 -3.33 0.00 0.00 175.10 171.22 2giw n GLU 21 N 6.87 0.00 -2.52 1.54 2.13 -1.26 -4.94 120.64 122.46 2giw n GLU 21 Ca 0.33 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.98 2giw n GLU 21 Cb 0.47 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.20 2giw n GLU 21 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2giw n LYS 22 N -2.61 2.50 -4.04 5.31 2.85 -1.26 -5.01 118.16 115.90 2giw n LYS 22 Ca 0.00 -3.93 -0.42 0.00 -1.05 0.00 0.00 58.31 52.91 2giw n LYS 22 Cb 0.00 -1.85 0.02 0.00 -0.65 0.00 0.00 35.03 32.55 2giw n LYS 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2giw n GLY 23 N -0.38 -0.75 0.00 2.58 0.00 -1.26 -4.95 105.19 100.42 2giw n GLY 23 Ca 0.26 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -1.97 0.87 3.26 -0.02 0.00 -1.12 -5.10 105.19 101.11 2giw n GLY 24 Ca -0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 2giw n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2giw s LYS 25 N 0.10 1.13 -0.02 1.61 -0.14 -1.26 -5.01 119.74 116.14 2giw s LYS 25 Ca 0.00 -1.53 -0.13 0.00 -1.36 0.00 0.00 55.97 52.95 2giw s LYS 25 Cb 0.00 -0.39 -0.07 0.00 -1.68 0.00 0.00 37.83 35.69 2giw s LYS 25 CO 0.00 -0.08 0.62 0.45 -0.76 0.00 0.00 175.35 175.58 2giw h HIS 26 N 2.68 -0.42 0.00 3.18 3.86 -1.88 -3.38 115.15 119.20 2giw h HIS 26 Ca -0.37 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.83 2giw h HIS 26 Cb 1.20 0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.81 2giw h HIS 26 CO 0.57 -0.26 0.00 1.17 0.86 0.00 0.00 177.93 180.27 2giw n LYS 27 N -4.43 0.00 -0.58 2.45 0.00 -1.26 -1.97 118.16 112.36 2giw n LYS 27 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.26 2giw n LYS 27 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.21 2giw n LYS 27 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2giw n THR 28 N 0.00 0.00 -3.64 3.15 -1.04 -1.25 -5.09 114.28 106.41 2giw n THR 28 Ca 0.00 -0.07 -0.08 0.00 -2.04 0.00 0.00 64.05 61.86 2giw n THR 28 Cb 0.00 0.43 -0.07 0.00 -1.82 0.00 0.00 70.33 68.87 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 -0.86 -0.18 0.26 3.41 0.00 0.41 -4.80 107.32 105.57 2giw s GLY 29 Ca 0.02 2.72 -0.31 0.00 0.00 0.00 0.00 44.72 47.15 2giw s GLY 29 CO -0.01 2.02 1.62 -1.05 0.00 0.00 0.00 173.10 175.68 2giw n PRO 30 N 2.69 2.66 -1.57 2.90 -0.02 -1.26 -4.27 135.00 136.13 2giw n PRO 30 Ca -0.14 0.95 -0.50 0.00 -2.02 0.00 0.00 63.50 61.78 2giw n PRO 30 Cb 0.56 -2.74 -0.06 0.00 -0.02 0.00 0.00 33.50 31.24 2giw n PRO 30 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2giw n ASN 31 N 2.71 2.69 -2.82 2.55 2.85 -1.26 -4.82 115.26 117.17 2giw n ASN 31 Ca 0.11 0.67 -0.23 0.00 -0.11 0.00 0.00 54.58 55.02 2giw n ASN 31 Cb 0.36 -1.30 -0.07 0.00 1.24 0.00 0.00 39.78 40.00 2giw n ASN 31 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2giw n LEU 32 N 8.36 5.96 -3.46 1.20 4.77 -1.26 -4.81 117.00 127.75 2giw n LEU 32 Ca 0.32 -3.30 -0.40 0.00 -0.03 0.00 0.00 56.01 52.60 2giw n LEU 32 Cb 0.25 -1.27 -0.02 0.00 -2.33 0.00 0.00 43.42 40.06 2giw n LEU 32 CO 0.75 1.35 3.12 1.57 -1.33 0.00 0.00 177.39 182.86 2giw n HIS 33 N 3.39 2.81 0.00 -1.77 -0.00 -1.26 -4.38 115.22 114.01 2giw n HIS 33 Ca 0.52 -3.03 0.00 0.00 0.46 0.00 0.00 57.72 55.68 2giw n HIS 33 Cb 0.39 -2.50 0.00 0.00 -0.12 0.00 0.00 29.99 27.76 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 3.78 0.53 5.00 1.57 0.00 -1.26 -5.05 105.19 109.76 2giw n GLY 34 Ca 0.68 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 -4.65 0.99 4.77 -1.26 -4.41 117.00 112.44 2giw n LEU 35 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 2giw n LEU 35 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2giw n LEU 35 CO 0.00 0.00 1.54 -0.36 -1.33 0.00 0.00 177.39 177.24 2giw s PHE 36 N 0.00 1.52 -0.11 -1.77 0.08 -1.09 -1.11 117.98 115.50 2giw s PHE 36 Ca 0.00 -0.10 0.00 0.00 0.12 0.00 0.00 56.93 56.95 2giw s PHE 36 Cb 0.00 -4.10 0.00 0.00 -0.57 0.00 0.00 43.02 38.35 2giw s PHE 36 CO 0.00 -4.74 0.00 0.41 -0.10 0.00 0.00 175.22 170.79 2giw n GLY 37 N 4.57 0.50 3.13 4.36 0.00 -1.26 -5.02 105.19 111.46 2giw n GLY 37 Ca 0.20 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.21 2.93 0.21 1.61 6.06 -0.27 -5.05 118.95 123.23 2giw s ARG 38 Ca 0.00 -0.81 -0.30 0.00 -2.50 0.00 0.00 55.73 52.12 2giw s ARG 38 Cb 0.00 -2.45 -0.09 0.00 0.06 0.00 0.00 34.95 32.47 2giw s ARG 38 CO 0.00 -0.12 1.36 0.15 -2.50 0.00 0.00 175.30 174.19 2giw s LYS 39 N 1.08 4.34 0.00 5.12 3.01 -1.26 -3.02 119.74 129.01 2giw s LYS 39 Ca -0.01 2.14 0.00 0.00 -1.01 0.00 0.00 55.97 57.09 2giw s LYS 39 Cb -0.14 -3.17 0.00 0.00 -1.01 0.00 0.00 37.83 33.51 2giw s LYS 39 CO -0.08 -0.32 0.00 -2.37 0.51 0.00 0.00 175.35 173.10 2giw n THR 40 N 2.60 0.00 -3.37 2.17 5.66 0.26 -4.81 114.28 116.79 2giw n THR 40 Ca 0.07 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.86 2giw n THR 40 Cb 0.42 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.26 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 -0.32 3.20 1.09 0.00 -1.26 -4.37 105.19 108.53 2giw n GLY 41 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.16 2giw n GLY 41 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2giw s GLN 42 N -6.05 0.06 -0.05 1.61 0.74 -1.26 -4.80 119.66 109.91 2giw s GLN 42 Ca 0.47 0.15 -0.17 0.00 0.05 0.00 0.00 55.36 55.87 2giw s GLN 42 Cb -0.21 0.09 0.03 0.00 1.10 0.00 0.00 33.01 34.03 2giw s GLN 42 CO 0.58 -0.03 0.38 0.00 -0.55 0.00 0.00 175.29 175.68 2giw s ALA 43 N 2.21 -0.96 0.45 1.58 0.00 -1.26 -4.98 121.76 118.79 2giw s ALA 43 Ca -0.01 0.65 -0.24 0.00 0.00 0.00 0.00 51.96 52.36 2giw s ALA 43 Cb -0.02 -0.11 -0.08 0.00 0.00 0.00 0.00 23.12 22.91 2giw s ALA 43 CO -0.15 -0.26 1.21 -1.25 0.00 0.00 0.00 175.76 175.31 2giw s PRO 44 N -0.94 3.79 0.00 0.00 0.04 -1.26 -3.47 135.00 133.16 2giw s PRO 44 Ca -0.10 1.91 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2giw s PRO 44 Cb -0.04 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.98 2giw s PRO 44 CO 0.04 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 176.93 2giw n GLY 45 N 0.56 1.39 2.95 0.56 0.00 -1.26 -4.50 105.19 104.90 2giw n GLY 45 Ca 0.06 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 3.54 -0.08 1.61 5.36 -1.26 -4.96 117.98 122.19 2giw s PHE 46 Ca 0.00 -3.23 -0.00 0.00 -0.96 0.00 0.00 56.93 52.74 2giw s PHE 46 Cb 0.00 -2.84 0.06 0.00 -0.34 0.00 0.00 43.02 39.89 2giw s PHE 46 CO 0.00 -0.63 1.98 -2.37 -1.46 0.00 0.00 175.22 172.74 2giw n THR 47 N 2.34 2.18 -4.66 0.12 5.66 -1.23 -4.64 114.28 114.05 2giw n THR 47 Ca 0.16 -0.79 0.00 0.00 -3.05 0.00 0.00 64.05 60.37 2giw n THR 47 Cb 0.35 -1.44 0.00 0.00 -1.55 0.00 0.00 70.33 67.68 2giw n THR 47 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 2giw n TYR 48 N 1.17 -1.61 -2.68 1.09 4.01 -1.26 -4.14 117.16 113.74 2giw n TYR 48 Ca 0.08 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.46 2giw n TYR 48 Cb 0.52 0.20 -0.05 0.00 -0.31 0.00 0.00 39.34 39.70 2giw n TYR 48 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2giw s THR 49 N 0.00 4.03 0.08 -0.72 -4.23 -1.26 -4.84 115.64 108.70 2giw s THR 49 Ca 0.00 1.48 -0.01 0.00 -1.18 0.00 0.00 61.69 61.99 2giw s THR 49 Cb 0.00 -3.73 0.12 0.00 1.34 0.00 0.00 72.50 70.23 2giw s THR 49 CO 0.00 -0.06 0.42 -0.90 -0.54 0.00 0.00 174.62 173.54 2giw n ASP 50 N -0.12 -0.06 -0.14 3.99 5.75 -1.26 -0.50 116.55 124.22 2giw n ASP 50 Ca 0.05 0.46 -0.05 0.00 -0.01 0.00 0.00 54.79 55.24 2giw n ASP 50 Cb 0.51 -0.15 0.04 0.00 -1.03 0.00 0.00 41.12 40.48 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 0.53 0.53 0.09 2.12 0.00 -1.93 0.37 119.26 120.97 2giw h ALA 51 Ca 0.15 0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.79 2giw h ALA 51 Cb 0.28 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2giw h ALA 51 CO -0.26 -0.20 -1.61 -0.97 0.00 0.00 0.00 179.25 176.20 2giw h ASN 52 N 0.36 0.29 -0.87 0.00 -0.73 -1.12 -3.30 115.58 110.22 2giw h ASN 52 Ca 0.20 -0.46 0.16 0.00 1.87 0.00 0.00 56.30 58.07 2giw h ASN 52 Cb 0.17 -0.09 -0.10 0.00 0.27 0.00 0.00 38.32 38.56 2giw h ASN 52 CO -0.18 1.40 0.44 0.50 -0.37 0.00 0.00 177.43 179.21 2giw h LYS 53 N 0.05 0.57 0.00 6.67 1.63 -0.63 0.53 116.57 125.39 2giw h LYS 53 Ca -0.27 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.50 2giw h LYS 53 Cb 2.00 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 33.51 2giw h LYS 53 CO 0.13 0.38 -0.02 -0.97 -3.45 0.00 0.00 179.45 175.52 2giw h ASN 54 N 0.58 0.00 0.37 4.20 -1.24 -0.34 -3.36 115.58 115.80 2giw h ASN 54 Ca 0.49 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.48 2giw h ASN 54 Cb 0.75 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.81 2giw h ASN 54 CO -0.40 0.02 -0.18 0.11 -1.29 0.00 0.00 177.43 175.69 2giw h LYS 55 N 0.00 -0.48 -6.07 6.67 1.79 -0.96 -3.48 116.57 114.03 2giw h LYS 55 Ca -0.00 0.03 -0.36 0.00 -2.18 0.00 0.00 60.65 58.14 2giw h LYS 55 Cb 0.48 0.11 0.08 0.00 -1.58 0.00 0.00 32.23 31.32 2giw h LYS 55 CO 0.00 -0.20 -0.83 0.41 -1.08 0.00 0.00 179.45 177.76 2giw n GLY 56 N -0.65 -1.08 3.29 3.86 0.00 -1.26 -4.96 105.19 104.39 2giw n GLY 56 Ca -0.10 0.49 -0.17 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.35 1.48 -0.24 -0.61 -5.25 -1.26 -4.78 121.20 107.20 2giw s ILE 57 Ca 0.37 -2.03 -0.24 0.00 -0.99 0.00 0.00 60.65 57.76 2giw s ILE 57 Cb -0.12 -1.85 -0.01 0.00 2.95 0.00 0.00 42.46 43.44 2giw s ILE 57 CO 0.84 -0.58 0.82 -0.89 -1.79 0.00 0.00 174.94 173.34 2giw s THR 58 N -2.80 4.84 -1.04 8.37 2.01 -1.26 -0.58 115.64 125.18 2giw s THR 58 Ca 0.17 1.55 -0.15 0.00 0.31 0.00 0.00 61.69 63.57 2giw s THR 58 Cb -0.01 -4.11 -0.08 0.00 0.01 0.00 0.00 72.50 68.31 2giw s THR 58 CO 0.04 -0.06 2.14 0.79 -0.69 0.00 0.00 174.62 176.84 2giw n TRP 59 N 5.96 2.18 -2.26 4.92 5.03 -1.17 -4.68 117.44 127.42 2giw n TRP 59 Ca 0.05 -2.24 -0.26 0.00 3.03 0.00 0.00 57.50 58.08 2giw n TRP 59 Cb 0.48 -1.97 0.12 0.00 -1.03 0.00 0.00 31.31 28.91 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 3.94 1.51 0.00 -0.99 -2.85 -1.26 -2.67 119.74 117.42 2giw s LYS 60 Ca 0.52 -0.63 0.00 0.00 -1.00 0.00 0.00 55.97 54.86 2giw s LYS 60 Cb 0.14 -2.13 0.00 0.00 -2.06 0.00 0.00 37.83 33.78 2giw s LYS 60 CO 0.02 -1.69 1.42 -0.85 0.10 0.00 0.00 175.35 174.35 2giw n GLU 61 N -3.15 0.81 0.08 1.78 0.28 -1.26 -1.78 120.64 117.40 2giw n GLU 61 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.13 2giw n GLU 61 Cb 0.60 -1.09 0.00 0.00 1.43 0.00 0.00 31.44 32.38 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 1.34 0.00 -0.07 3.44 1.02 -1.26 -4.48 120.64 120.64 2giw n GLU 62 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 2giw n GLU 62 Cb 0.41 -0.18 -0.05 0.00 -0.02 0.00 0.00 31.44 31.60 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 -0.60 2.62 1.35 -1.80 -0.63 112.91 115.12 2giw h THR 63 Ca 0.00 -0.92 0.09 0.00 -0.55 0.00 0.00 66.41 65.03 2giw h THR 63 Cb 0.11 1.47 -0.07 0.00 -1.73 0.00 0.00 68.15 67.93 2giw h THR 63 CO 0.00 0.28 0.23 -0.07 -0.25 0.00 0.00 175.52 175.71 2giw h LEU 64 N 0.11 0.24 0.32 3.87 4.07 -1.66 -0.74 115.31 121.51 2giw h LEU 64 Ca 0.06 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 2giw h LEU 64 Cb 0.42 0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.21 2giw h LEU 64 CO 0.01 0.15 -0.15 -0.03 -1.08 0.00 0.00 178.44 177.34 2giw h MET 65 N 0.42 -0.41 -0.22 1.13 4.05 -1.61 0.57 114.93 118.86 2giw h MET 65 Ca 0.30 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.75 2giw h MET 65 Cb 0.35 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 2giw h MET 65 CO -0.29 -0.27 0.14 1.49 0.23 0.00 0.00 176.91 178.21 2giw h GLU 66 N -0.43 0.29 0.24 0.39 4.81 -1.06 -0.79 114.58 118.03 2giw h GLU 66 Ca -0.04 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2giw h GLU 66 Cb 0.33 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2giw h GLU 66 CO 0.07 0.20 -0.34 -0.92 -0.73 0.00 0.00 179.01 177.29 2giw h TYR 67 N 0.29 -0.97 -0.67 0.92 3.20 -0.92 0.12 116.97 118.94 2giw h TYR 67 Ca 0.08 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.05 2giw h TYR 67 Cb -0.02 0.39 -0.04 0.00 1.54 0.00 0.00 36.73 38.59 2giw h TYR 67 CO -0.06 -0.43 0.44 -0.07 -1.64 0.00 0.00 178.16 176.40 2giw h LEU 68 N -0.61 0.51 -0.44 2.82 -0.00 -0.87 0.22 115.31 116.93 2giw h LEU 68 Ca -0.03 0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 57.84 2giw h LEU 68 Cb 0.55 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 41.09 2giw h LEU 68 CO -0.10 0.31 0.18 -0.08 -0.00 0.00 0.00 178.44 178.76 2giw h GLU 69 N 0.57 0.66 -0.92 1.13 4.81 -0.74 -3.41 114.58 116.69 2giw h GLU 69 Ca 0.30 -0.12 -0.37 0.00 -0.13 0.00 0.00 59.36 59.04 2giw h GLU 69 Cb 0.43 -0.11 -0.25 0.00 0.63 0.00 0.00 28.75 29.45 2giw h GLU 69 CO -0.10 0.60 -0.77 -1.71 -0.73 0.00 0.00 179.01 176.31 2giw n ASN 70 N -4.61 -1.53 -0.17 1.04 4.05 -0.01 -4.46 115.26 109.57 2giw n ASN 70 Ca 0.01 -3.02 -0.11 0.00 0.45 0.00 0.00 54.58 51.91 2giw n ASN 70 Cb 0.15 0.72 0.00 0.00 1.23 0.00 0.00 39.78 41.88 2giw n ASN 70 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2giw h PRO 71 N 4.02 0.97 -0.01 1.20 0.13 -0.85 -0.01 132.00 137.45 2giw h PRO 71 Ca -0.05 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2giw h PRO 71 Cb 0.96 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 2giw h PRO 71 CO 0.38 1.03 0.02 -0.22 -0.23 0.00 0.00 178.00 178.98 2giw h LYS 72 N 0.83 0.00 0.00 0.86 3.64 -1.85 -1.03 116.57 119.02 2giw h LYS 72 Ca 0.13 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 2giw h LYS 72 Cb 0.67 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2giw h LYS 72 CO 0.05 0.00 -0.31 -0.22 -2.27 0.00 0.00 179.45 176.70 2giw h LYS 73 N 0.00 0.00 -0.76 1.90 3.64 -1.44 -3.36 116.57 116.54 2giw h LYS 73 Ca 0.01 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.56 2giw h LYS 73 Cb 0.04 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 31.74 2giw h LYS 73 CO -0.00 0.29 0.15 -0.92 -2.27 0.00 0.00 179.45 176.70 2giw h TYR 74 N -1.00 0.22 -3.18 1.91 3.20 -0.88 -3.35 116.97 113.89 2giw h TYR 74 Ca -0.04 0.05 -0.67 0.00 3.14 0.00 0.00 58.73 61.21 2giw h TYR 74 Cb 0.48 0.02 -0.33 0.00 1.54 0.00 0.00 36.73 38.44 2giw h TYR 74 CO -0.01 -0.14 -0.82 0.42 -1.64 0.00 0.00 178.16 175.97 2giw s ILE 75 N -6.04 2.40 -1.17 1.81 1.01 -0.41 -5.05 121.20 113.75 2giw s ILE 75 Ca -0.13 -0.86 -0.19 0.00 0.00 0.00 0.00 60.65 59.47 2giw s ILE 75 Cb 0.22 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 2giw s ILE 75 CO 0.76 0.48 1.96 -0.81 0.00 0.00 0.00 174.94 177.33 2giw n PRO 76 N 4.66 2.26 0.00 2.79 -0.04 -1.26 -3.77 135.00 139.64 2giw n PRO 76 Ca -0.20 -2.53 0.00 0.00 -0.04 0.00 0.00 63.50 60.73 2giw n PRO 76 Cb 0.50 -3.35 0.00 0.00 -0.04 0.00 0.00 33.50 30.61 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 4.94 0.76 3.89 0.55 0.00 -1.26 -5.03 105.19 109.04 2giw n GLY 77 Ca 0.49 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.42 4.55 0.15 2.61 -1.32 -1.25 -4.66 115.64 114.30 2giw s THR 78 Ca 0.00 0.52 0.31 0.00 -1.21 0.00 0.00 61.69 61.30 2giw s THR 78 Cb 0.00 -3.79 0.34 0.00 -1.51 0.00 0.00 72.50 67.54 2giw s THR 78 CO 0.00 -0.93 1.95 0.50 -2.21 0.00 0.00 174.62 173.94 2giw h LYS 79 N -0.15 0.00 -6.96 7.08 1.63 -1.97 -3.46 116.57 112.74 2giw h LYS 79 Ca -0.45 0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 58.82 2giw h LYS 79 Cb 1.21 0.00 0.08 0.00 -0.60 0.00 0.00 32.23 32.92 2giw h LYS 79 CO 0.62 0.08 0.60 1.41 -3.45 0.00 0.00 179.45 178.71 2giw s MET 80 N -3.72 3.91 -0.45 1.90 1.75 -1.26 -5.00 119.30 116.43 2giw s MET 80 Ca 0.01 2.13 0.03 0.00 -1.25 0.00 0.00 55.69 56.60 2giw s MET 80 Cb 0.10 -2.70 0.13 0.00 2.84 0.00 0.00 34.83 35.19 2giw s MET 80 CO 0.57 -0.54 0.22 0.42 -0.65 0.00 0.00 175.02 175.04 2giw s ILE 81 N -1.29 1.80 -0.49 10.11 -1.09 -1.26 -4.92 121.20 124.06 2giw s ILE 81 Ca 0.58 -2.69 0.06 0.00 -2.23 0.00 0.00 60.65 56.38 2giw s ILE 81 Cb -0.37 -2.27 0.19 0.00 -1.58 0.00 0.00 42.46 38.42 2giw s ILE 81 CO 0.48 -0.82 0.65 0.12 -1.23 0.00 0.00 174.94 174.14 2giw s PHE 82 N 0.30 -1.14 -1.30 3.97 5.36 -1.26 -5.07 117.98 118.83 2giw s PHE 82 Ca 0.16 -0.85 -0.16 0.00 -0.96 0.00 0.00 56.93 55.13 2giw s PHE 82 Cb -0.24 0.10 -0.00 0.00 -0.34 0.00 0.00 43.02 42.53 2giw s PHE 82 CO -0.02 -1.19 2.14 0.00 -1.46 0.00 0.00 175.22 174.68 2giw n ALA 83 N 3.00 4.92 0.00 11.12 0.00 -1.26 -4.50 120.51 133.79 2giw n ALA 83 Ca 0.20 -3.75 0.00 0.00 0.00 0.00 0.00 53.44 49.89 2giw n ALA 83 Cb 0.54 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.43 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 4.29 0.19 1.90 0.00 0.00 -1.26 -5.04 105.19 105.27 2giw n GLY 84 Ca 0.51 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 0.00 0.00 0.00 -0.61 3.06 -1.26 -4.78 119.36 115.77 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 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 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 -2.43 0.00 0.00 9.51 4.81 -1.26 -4.92 118.16 123.87 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 -1.10 0.00 -4.19 1.64 4.81 -1.26 -4.99 118.16 113.07 2giw n LYS 87 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.10 2giw n LYS 87 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 2giw n LYS 87 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2giw n LYS 88 N 0.00 -2.93 0.04 1.64 0.00 -1.26 -4.68 118.16 110.98 2giw n LYS 88 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 58.31 58.66 2giw n LYS 88 Cb 0.00 -4.86 0.00 0.00 0.00 0.00 0.00 35.03 30.17 2giw n LYS 88 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2giw n THR 89 N -4.39 0.01 -0.18 3.15 -1.04 -1.26 -4.85 114.28 105.73 2giw n THR 89 Ca -0.03 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.97 2giw n THR 89 Cb 0.54 -0.17 0.08 0.00 -1.82 0.00 0.00 70.33 68.96 2giw n THR 89 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2giw h GLU 90 N 0.00 0.22 0.00 -2.82 4.81 -1.91 0.15 114.58 115.03 2giw h GLU 90 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2giw h GLU 90 Cb 0.00 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2giw h GLU 90 CO 0.00 0.15 0.00 -2.13 -0.73 0.00 0.00 179.01 176.30 2giw n ARG 91 N -5.13 0.23 0.02 1.92 0.63 -1.26 -0.68 116.66 112.38 2giw n ARG 91 Ca 0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 2giw n ARG 91 Cb 0.28 -1.08 0.00 0.00 0.45 0.00 0.00 32.46 32.11 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 -0.58 0.00 -0.06 -0.14 4.07 0.45 -4.47 120.64 119.91 2giw n GLU 92 Ca 0.01 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 57.00 2giw n GLU 92 Cb 0.00 -0.45 -0.05 0.00 -0.06 0.00 0.00 31.44 30.89 2giw n GLU 92 CO 0.00 0.00 0.00 0.38 -0.06 0.00 0.00 177.13 177.45 2giw h ASP 93 N 0.00 0.29 -0.62 4.31 3.04 -1.12 -1.51 116.42 120.81 2giw h ASP 93 Ca 0.00 -0.26 0.12 0.00 -3.24 0.00 0.00 57.03 53.65 2giw h ASP 93 Cb 0.59 -0.08 -0.12 0.00 -1.04 0.00 0.00 39.33 38.68 2giw h ASP 93 CO 0.00 0.48 -0.25 -0.07 -2.04 0.00 0.00 179.24 177.36 2giw h LEU 94 N 0.09 -0.89 -0.73 0.15 -0.00 -1.15 0.12 115.31 112.90 2giw h LEU 94 Ca 0.05 0.21 0.00 0.00 -0.00 0.00 0.00 57.88 58.15 2giw h LEU 94 Cb 0.31 0.49 0.00 0.00 -0.00 0.00 0.00 40.66 41.46 2giw h LEU 94 CO 0.00 -0.27 0.00 -0.38 -0.00 0.00 0.00 178.44 177.80 2giw n ILE 95 N -5.45 0.13 -0.04 1.22 2.08 -0.99 -1.50 119.36 114.81 2giw n ILE 95 Ca 0.06 -0.08 -0.05 0.00 0.56 0.00 0.00 62.75 63.24 2giw n ILE 95 Cb 0.35 -0.26 -0.05 0.00 -0.75 0.00 0.00 39.64 38.93 2giw n ILE 95 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2giw n ALA 96 N -0.13 1.81 0.33 -1.39 0.00 0.13 -4.53 120.51 116.73 2giw n ALA 96 Ca 0.02 -0.43 -0.15 0.00 0.00 0.00 0.00 53.44 52.87 2giw n ALA 96 Cb 0.19 0.20 -0.08 0.00 0.00 0.00 0.00 19.45 19.76 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 0.00 -0.79 0.00 0.00 3.20 -0.09 -3.21 116.97 116.08 2giw h TYR 97 Ca -0.20 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.65 2giw h TYR 97 Cb 1.38 0.26 -0.00 0.00 1.54 0.00 0.00 36.73 39.91 2giw h TYR 97 CO 0.01 -0.45 -0.02 -0.07 -1.64 0.00 0.00 178.16 175.99 2giw h LEU 98 N -1.09 0.00 -1.03 2.82 3.38 -1.54 0.11 115.31 117.97 2giw h LEU 98 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2giw h LEU 98 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2giw h LEU 98 CO 0.14 0.02 0.00 0.50 0.09 0.00 0.00 178.44 179.19 2giw h LYS 99 N 0.00 0.00 0.00 1.13 3.64 -1.79 -2.45 116.57 117.10 2giw h LYS 99 Ca -0.00 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.14 2giw h LYS 99 Cb 0.07 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 2giw h LYS 99 CO 0.00 0.00 -1.91 0.36 -2.27 0.00 0.00 179.45 175.63 2giw n LYS 100 N -2.59 1.46 -0.22 1.90 2.85 0.18 -4.60 118.16 117.13 2giw n LYS 100 Ca 0.01 0.02 0.03 0.00 -1.05 0.00 0.00 58.31 57.32 2giw n LYS 100 Cb 0.26 -1.34 0.14 0.00 -0.65 0.00 0.00 35.03 33.44 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 0.46 0.79 -0.20 0.58 0.00 -0.75 0.25 119.26 120.40 2giw h ALA 101 Ca -0.36 0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.76 2giw h ALA 101 Cb 1.74 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 2giw h ALA 101 CO -0.00 -0.32 0.66 0.00 0.00 0.00 0.00 179.25 179.59 2giw h THR 102 N 0.25 0.06 -0.23 0.00 1.03 -1.65 -1.65 112.91 110.72 2giw h THR 102 Ca 0.36 0.00 -0.21 0.00 -0.01 0.00 0.00 66.41 66.55 2giw h THR 102 Cb 0.57 0.38 -0.37 0.00 -1.07 0.00 0.00 68.15 67.66 2giw h THR 102 CO -0.46 0.00 -1.00 -3.20 -0.01 0.00 0.00 175.52 170.85 2giw n ASN 103 N -2.95 1.05 -0.03 0.00 4.05 0.62 -4.81 115.26 113.19 2giw n ASN 103 Ca 0.03 -2.03 0.16 0.00 0.45 0.00 0.00 54.58 53.20 2giw n ASN 103 Cb 0.75 -0.30 0.92 0.00 1.23 0.00 0.00 39.78 42.38 2giw n ASN 103 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59