#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 1.10 0.00 1.61 -0.08 -1.26 -4.84 116.55 113.08 2giw n ASP 2 Ca 0.00 -1.05 0.00 0.00 -1.51 0.00 0.00 54.79 52.23 2giw n ASP 2 Cb 0.00 0.91 0.00 0.00 2.34 0.00 0.00 41.12 44.37 2giw n ASP 2 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2giw n VAL 3 N -1.23 0.00 -0.01 5.18 0.31 -1.26 -4.21 118.33 117.11 2giw n VAL 3 Ca 0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.26 2giw n VAL 3 Cb 0.33 0.00 -0.06 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 0.14 -0.68 5.55 4.39 -1.94 0.48 114.58 122.51 2giw h GLU 4 Ca 0.00 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.77 2giw h GLU 4 Cb 0.00 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 28.55 2giw h GLU 4 CO 0.00 0.20 0.32 0.87 -1.16 0.00 0.00 179.01 179.25 2giw h LYS 5 N 0.04 0.54 -0.24 2.33 1.79 -1.95 -0.51 116.57 118.57 2giw h LYS 5 Ca 0.03 -0.03 0.06 0.00 -2.18 0.00 0.00 60.65 58.53 2giw h LYS 5 Cb 0.11 -0.12 -0.07 0.00 -1.58 0.00 0.00 32.23 30.57 2giw h LYS 5 CO -0.00 0.36 -0.26 0.78 -1.08 0.00 0.00 179.45 179.24 2giw h GLY 6 N 0.56 -0.21 1.18 3.86 0.00 -1.41 0.45 103.07 107.50 2giw h GLY 6 Ca 0.34 0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.93 2giw h GLY 6 CO -0.27 -0.20 0.16 0.07 0.00 0.00 0.00 176.54 176.30 2giw h LYS 7 N -0.27 1.02 -0.14 4.80 2.10 -0.22 0.17 116.57 124.03 2giw h LYS 7 Ca 0.13 -0.23 -0.08 0.00 -2.00 0.00 0.00 60.65 58.47 2giw h LYS 7 Cb 0.48 -0.14 -0.00 0.00 -0.90 0.00 0.00 32.23 31.67 2giw h LYS 7 CO -0.39 0.90 -0.23 -0.22 -2.00 0.00 0.00 179.45 177.51 2giw h LYS 8 N 0.97 0.39 -0.23 0.07 1.63 -0.67 -0.60 116.57 118.14 2giw h LYS 8 Ca 0.21 -0.24 -0.04 0.00 -0.85 0.00 0.00 60.65 59.72 2giw h LYS 8 Cb 0.34 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 2giw h LYS 8 CO -0.00 0.83 -0.02 0.82 -3.45 0.00 0.00 179.45 177.63 2giw h ILE 9 N -0.00 1.27 -0.05 2.00 2.04 -0.82 -1.36 117.51 120.58 2giw h ILE 9 Ca 0.01 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 64.93 2giw h ILE 9 Cb 0.80 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 38.28 2giw h ILE 9 CO 0.05 0.30 -0.36 0.15 0.00 0.00 0.00 178.15 178.29 2giw h PHE 10 N 0.18 -1.07 -0.95 1.37 3.57 -0.63 -1.09 116.94 118.32 2giw h PHE 10 Ca 0.06 0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.76 2giw h PHE 10 Cb 0.45 0.48 -0.08 0.00 2.79 0.00 0.00 35.95 39.59 2giw h PHE 10 CO 0.04 -0.37 0.60 0.28 -2.23 0.00 0.00 178.31 176.63 2giw h VAL 11 N -0.41 0.81 -0.68 1.41 2.07 -1.05 0.70 116.25 119.10 2giw h VAL 11 Ca 0.02 -0.26 0.11 0.00 0.82 0.00 0.00 66.70 67.38 2giw h VAL 11 Cb 0.47 -0.01 -0.08 0.00 -1.52 0.00 0.00 31.29 30.14 2giw h VAL 11 CO -0.27 0.14 0.27 -0.61 0.02 0.00 0.00 177.57 177.12 2giw h GLN 12 N 0.76 0.44 0.00 1.57 -0.00 -0.05 -3.28 115.11 114.54 2giw h GLN 12 Ca 0.49 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 59.12 2giw h GLN 12 Cb 0.75 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.13 2giw h GLN 12 CO -0.26 0.29 -0.33 0.36 0.00 0.00 0.00 178.83 178.90 2giw n LYS 13 N -4.97 0.40 0.00 1.69 0.00 0.06 -4.86 118.16 110.48 2giw n LYS 13 Ca 0.11 -1.38 0.00 0.00 -0.00 0.00 0.00 58.31 57.04 2giw n LYS 13 Cb 0.32 -0.76 0.00 0.00 -0.00 0.00 0.00 35.03 34.58 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 0.00 2.12 -1.15 0.00 0.00 -1.60 0.75 119.26 119.38 2giw h ALA 15 Ca 0.00 0.03 0.36 0.00 0.00 0.00 0.00 54.91 55.31 2giw h ALA 15 Cb 0.53 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.17 2giw h ALA 15 CO 0.00 -0.44 0.72 -0.56 0.00 0.00 0.00 179.25 178.97 2giw h GLN 16 N 0.47 0.21 0.00 0.00 3.07 -1.89 -1.24 115.11 115.74 2giw h GLN 16 Ca 0.51 -0.01 -0.22 0.00 0.09 0.00 0.00 58.65 59.02 2giw h GLN 16 Cb 1.18 -0.05 -0.04 0.00 0.08 0.00 0.00 27.48 28.65 2giw h GLN 16 CO -0.23 0.14 -2.08 0.00 0.09 0.00 0.00 178.83 176.75 2giw s HIS 18 N -2.68 1.86 -0.11 0.00 3.76 -0.07 -3.25 115.29 114.80 2giw s HIS 18 Ca -0.08 -2.42 -0.04 0.00 -0.15 0.00 0.00 55.06 52.37 2giw s HIS 18 Cb 0.07 -1.68 -0.12 0.00 1.11 0.00 0.00 32.58 31.96 2giw s HIS 18 CO 0.72 -0.77 3.05 0.25 -0.85 0.00 0.00 174.74 177.15 2giw n THR 19 N 3.26 2.87 -1.88 1.30 -2.24 -1.22 -4.13 114.28 112.24 2giw n THR 19 Ca 0.15 -1.63 -0.39 0.00 -2.27 0.00 0.00 64.05 59.92 2giw n THR 19 Cb 0.37 -1.78 -0.03 0.00 -2.10 0.00 0.00 70.33 66.79 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 1.84 2.68 0.00 2.28 3.14 -1.26 -3.37 118.33 123.64 2giw n VAL 20 Ca 0.35 -2.59 0.00 0.00 -2.96 0.00 0.00 64.34 59.14 2giw n VAL 20 Cb 0.75 -2.34 0.00 0.00 -1.06 0.00 0.00 33.84 31.19 2giw n VAL 20 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2giw n GLU 21 N 7.54 0.00 -0.30 1.45 1.02 -1.26 -4.98 120.64 124.11 2giw n GLU 21 Ca 0.49 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.57 2giw n GLU 21 Cb 0.43 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.89 2giw n GLU 21 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2giw n LYS 22 N -2.25 -0.52 -0.33 3.49 2.85 -1.22 -4.93 118.16 115.26 2giw n LYS 22 Ca 0.00 -0.35 0.19 0.00 -1.05 0.00 0.00 58.31 57.10 2giw n LYS 22 Cb 0.00 -0.26 0.37 0.00 -0.65 0.00 0.00 35.03 34.50 2giw n LYS 22 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2giw h GLY 23 N -0.46 1.58 0.00 2.58 0.00 -2.01 -3.47 103.07 101.29 2giw h GLY 23 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2giw h GLY 23 CO 0.05 -0.55 0.00 0.61 0.00 0.00 0.00 176.54 176.65 2giw n GLY 24 N -1.40 3.27 3.49 4.60 0.00 -1.26 -5.10 105.19 108.79 2giw n GLY 24 Ca 0.27 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.62 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 -5.00 1.00 0.00 1.61 2.36 -1.26 -5.09 119.74 113.37 2giw s LYS 25 Ca 0.00 -0.12 0.00 0.00 -2.55 0.00 0.00 55.97 53.30 2giw s LYS 25 Cb 0.00 0.47 0.00 0.00 -1.05 0.00 0.00 37.83 37.25 2giw s LYS 25 CO 0.00 -0.39 0.00 0.72 1.55 0.00 0.00 175.35 177.23 2giw n HIS 26 N 0.21 0.00 -0.16 4.03 8.25 -1.26 -3.93 115.22 122.36 2giw n HIS 26 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2giw n HIS 26 Cb 0.61 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.72 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 0.00 0.00 -1.29 -0.41 4.81 -1.26 -4.58 118.16 115.43 2giw n LYS 27 Ca 0.00 0.05 -0.10 0.00 -0.87 0.00 0.00 58.31 57.39 2giw n LYS 27 Cb 0.00 -0.16 -0.04 0.00 0.02 0.00 0.00 35.03 34.85 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 -0.11 0.00 -3.64 3.15 -1.04 -1.26 -4.30 114.28 107.08 2giw n THR 28 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 2giw n THR 28 Cb 0.05 -1.27 -0.07 0.00 -1.82 0.00 0.00 70.33 67.23 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 -2.62 -0.08 0.39 3.41 0.00 -1.20 -4.86 107.32 102.36 2giw s GLY 29 Ca 0.00 2.85 -0.24 0.00 0.00 0.00 0.00 44.72 47.33 2giw s GLY 29 CO 0.00 2.02 1.02 2.56 0.00 0.00 0.00 173.10 178.70 2giw s PRO 30 N 0.47 4.25 -0.03 2.90 0.04 -1.26 -4.25 135.00 137.11 2giw s PRO 30 Ca 0.01 1.45 -0.30 0.00 0.04 0.00 0.00 61.00 62.20 2giw s PRO 30 Cb -0.05 -2.56 -0.08 0.00 0.04 0.00 0.00 34.50 31.85 2giw s PRO 30 CO -0.09 -0.05 2.03 -1.71 0.04 0.00 0.00 177.00 177.21 2giw n ASN 31 N 0.00 3.93 0.13 6.66 5.15 -1.25 -4.75 115.26 125.12 2giw n ASN 31 Ca 0.05 0.75 -0.15 0.00 -0.60 0.00 0.00 54.58 54.63 2giw n ASN 31 Cb 0.50 -1.52 -0.08 0.00 -0.53 0.00 0.00 39.78 38.15 2giw n ASN 31 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2giw h LEU 32 N 11.50 -1.29 -2.87 1.20 3.38 -1.92 -3.46 115.31 121.85 2giw h LEU 32 Ca -0.48 0.14 -0.55 0.00 0.09 0.00 0.00 57.88 57.08 2giw h LEU 32 Cb 1.24 0.48 -0.06 0.00 0.09 0.00 0.00 40.66 42.42 2giw h LEU 32 CO 0.95 -0.51 -0.96 1.57 0.09 0.00 0.00 178.44 179.57 2giw n HIS 33 N -5.48 -1.50 0.00 1.13 -0.00 -1.26 -4.60 115.22 103.52 2giw n HIS 33 Ca -0.08 0.43 0.00 0.00 0.46 0.00 0.00 57.72 58.53 2giw n HIS 33 Cb 0.39 -3.12 0.00 0.00 -0.12 0.00 0.00 29.99 27.14 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 -2.13 1.47 2.01 1.57 0.00 -1.26 -5.06 105.19 101.79 2giw n GLY 34 Ca -0.21 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.10 -0.39 -4.58 0.99 4.77 -1.26 -4.83 117.00 111.60 2giw n LEU 35 Ca 0.00 0.48 -0.40 0.00 -0.03 0.00 0.00 56.01 56.06 2giw n LEU 35 Cb 0.00 0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 2giw n LEU 35 CO 0.00 -0.71 1.89 -0.36 -1.33 0.00 0.00 177.39 176.89 2giw s PHE 36 N -2.00 1.20 0.00 -1.77 0.08 -1.16 -0.08 117.98 114.25 2giw s PHE 36 Ca 0.00 1.02 0.00 0.00 0.12 0.00 0.00 56.93 58.07 2giw s PHE 36 Cb 0.00 -3.80 0.00 0.00 -0.57 0.00 0.00 43.02 38.65 2giw s PHE 36 CO 0.00 -3.21 0.00 0.41 -0.10 0.00 0.00 175.22 172.32 2giw n GLY 37 N 5.85 2.00 3.56 4.36 0.00 -0.99 -5.02 105.19 114.94 2giw n GLY 37 Ca 0.32 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.95 2.53 -0.78 1.61 3.52 0.88 -4.89 118.95 120.87 2giw s ARG 38 Ca 0.00 -0.09 -0.36 0.00 -0.13 0.00 0.00 55.73 55.15 2giw s ARG 38 Cb 0.00 -4.93 -0.20 0.00 -1.56 0.00 0.00 34.95 28.26 2giw s ARG 38 CO 0.00 -3.30 2.47 0.36 -0.81 0.00 0.00 175.30 174.02 2giw n LYS 39 N 8.91 0.08 -1.17 5.12 2.85 -1.26 -3.79 118.16 128.91 2giw n LYS 39 Ca 0.37 0.01 -0.29 0.00 -1.05 0.00 0.00 58.31 57.35 2giw n LYS 39 Cb 0.48 -1.61 0.21 0.00 -0.65 0.00 0.00 35.03 33.46 2giw n LYS 39 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2giw s THR 40 N 8.00 1.77 -0.64 0.58 2.01 0.14 -4.29 115.64 123.20 2giw s THR 40 Ca 1.28 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 63.27 2giw s THR 40 Cb -1.29 -2.52 0.00 0.00 0.01 0.00 0.00 72.50 68.70 2giw s THR 40 CO 0.54 0.00 0.05 0.61 -0.69 0.00 0.00 174.62 175.13 2giw n GLY 41 N -1.18 0.09 0.00 4.40 0.00 -1.26 -4.06 105.19 103.19 2giw n GLY 41 Ca 0.10 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.79 0.00 -3.84 1.61 -0.06 -1.26 -4.85 117.38 107.19 2giw n GLN 42 Ca -0.08 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 54.80 2giw n GLN 42 Cb 0.56 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.65 2giw n GLN 42 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2giw s ALA 43 N 0.00 -0.44 0.11 1.69 0.00 -1.26 -4.93 121.76 116.92 2giw s ALA 43 Ca 0.00 -0.00 0.32 0.00 0.00 0.00 0.00 51.96 52.27 2giw s ALA 43 Cb 0.00 0.09 1.27 0.00 0.00 0.00 0.00 23.12 24.49 2giw s ALA 43 CO 0.00 -0.22 1.95 -1.00 0.00 0.00 0.00 175.76 176.50 2giw h PRO 44 N 4.21 0.00 -2.50 0.00 0.13 -2.02 -3.39 132.00 128.44 2giw h PRO 44 Ca -0.30 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.23 2giw h PRO 44 Cb 1.19 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.93 2giw h PRO 44 CO 0.40 0.04 -0.91 0.20 -0.23 0.00 0.00 178.00 177.51 2giw s GLY 45 N -4.20 1.29 -0.18 1.56 0.00 -1.26 -5.01 107.32 99.52 2giw s GLY 45 Ca 0.01 -2.45 -0.00 0.00 0.00 0.00 0.00 44.72 42.28 2giw s GLY 45 CO 0.56 2.00 0.01 0.33 0.00 0.00 0.00 173.10 176.00 2giw n PHE 46 N 3.06 -2.44 -1.78 1.90 7.35 -1.26 -4.87 117.46 119.41 2giw n PHE 46 Ca 0.24 1.10 -0.41 0.00 -0.76 0.00 0.00 57.45 57.63 2giw n PHE 46 Cb 0.44 -3.02 -0.01 0.00 0.35 0.00 0.00 39.48 37.24 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 0.46 4.38 -4.48 -2.13 5.66 -1.26 -4.87 114.28 112.04 2giw n THR 47 Ca -0.01 -3.48 0.00 0.00 -3.05 0.00 0.00 64.05 57.51 2giw n THR 47 Cb 0.02 -2.43 0.00 0.00 -1.55 0.00 0.00 70.33 66.38 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 3.70 -1.38 -0.65 1.09 4.01 -1.26 -3.52 117.16 119.15 2giw n TYR 48 Ca 0.61 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 58.06 2giw n TYR 48 Cb 0.29 0.14 0.26 0.00 -0.31 0.00 0.00 39.34 39.72 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 1.67 0.24 -0.72 -4.23 -1.26 -4.72 115.64 106.62 2giw s THR 49 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.47 2giw s THR 49 Cb 0.00 -2.19 0.22 0.00 1.34 0.00 0.00 72.50 71.88 2giw s THR 49 CO 0.00 0.00 1.70 -2.24 -0.54 0.00 0.00 174.62 173.54 2giw h ASP 50 N -2.82 0.13 0.38 3.99 2.03 -1.97 0.23 116.42 118.39 2giw h ASP 50 Ca -0.52 0.13 -0.01 0.00 -0.73 0.00 0.00 57.03 55.90 2giw h ASP 50 Cb 1.33 0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 39.97 2giw h ASP 50 CO 0.42 0.02 -0.27 0.00 -1.03 0.00 0.00 179.24 178.38 2giw h ALA 51 N 1.58 -0.63 -0.01 4.15 0.00 -1.94 0.43 119.26 122.84 2giw h ALA 51 Ca 0.42 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.08 2giw h ALA 51 Cb 0.68 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2giw h ALA 51 CO -0.46 -0.87 -0.60 -0.91 0.00 0.00 0.00 179.25 176.40 2giw h ASN 52 N -0.63 0.04 -0.74 0.00 4.21 -1.86 -2.93 115.58 113.67 2giw h ASN 52 Ca -0.03 -0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.44 2giw h ASN 52 Cb 0.54 -0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 37.69 2giw h ASN 52 CO 0.01 0.63 0.40 0.50 -1.29 0.00 0.00 177.43 177.69 2giw h LYS 53 N 0.03 1.03 0.00 0.81 1.63 -0.18 -3.01 116.57 116.88 2giw h LYS 53 Ca -0.01 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 2giw h LYS 53 Cb 1.07 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 32.50 2giw h LYS 53 CO 0.08 0.77 0.00 -0.97 -3.45 0.00 0.00 179.45 175.88 2giw h ASN 54 N 1.02 0.00 0.48 4.20 -0.73 0.05 -3.37 115.58 117.24 2giw h ASN 54 Ca 0.26 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.41 2giw h ASN 54 Cb 0.04 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.64 2giw h ASN 54 CO -0.04 0.00 -0.23 0.11 -0.37 0.00 0.00 177.43 176.90 2giw h LYS 55 N 0.00 -0.62 -3.71 6.67 1.79 -1.57 -3.48 116.57 115.64 2giw h LYS 55 Ca 0.00 0.04 -0.37 0.00 -2.18 0.00 0.00 60.65 58.14 2giw h LYS 55 Cb 0.32 0.14 0.04 0.00 -1.58 0.00 0.00 32.23 31.15 2giw h LYS 55 CO 0.00 -0.33 -0.53 0.41 -1.08 0.00 0.00 179.45 177.92 2giw n GLY 56 N -0.25 -0.41 0.00 3.86 0.00 -1.26 -4.98 105.19 102.15 2giw n GLY 56 Ca -0.10 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2giw n GLY 56 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2giw n ILE 57 N -4.30 0.00 -2.50 -0.61 -5.35 -1.26 -4.70 119.36 100.64 2giw n ILE 57 Ca -0.14 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.34 2giw n ILE 57 Cb 0.63 -0.94 0.03 0.00 -1.74 0.00 0.00 39.64 37.62 2giw n ILE 57 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 2giw n THR 58 N -0.22 0.32 -2.25 7.28 -1.04 -1.26 -0.69 114.28 116.42 2giw n THR 58 Ca 0.00 -1.25 0.00 0.00 -2.04 0.00 0.00 64.05 60.76 2giw n THR 58 Cb 0.00 0.96 0.00 0.00 -1.82 0.00 0.00 70.33 69.47 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 -0.24 0.00 -3.03 -1.42 7.02 -1.25 -2.34 117.44 116.19 2giw n TRP 59 Ca -0.06 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.23 2giw n TRP 59 Cb 0.91 0.00 0.06 0.00 -2.42 0.00 0.00 31.31 29.87 2giw n TRP 59 CO 0.00 0.00 0.00 -1.59 -2.02 0.00 0.00 177.69 174.08 2giw s LYS 60 N -1.83 2.29 0.00 -0.99 0.00 -1.26 -2.97 119.74 114.98 2giw s LYS 60 Ca 0.00 -1.64 -0.02 0.00 0.00 0.00 0.00 55.97 54.31 2giw s LYS 60 Cb 0.00 -2.64 -0.11 0.00 0.00 0.00 0.00 37.83 35.08 2giw s LYS 60 CO 0.00 -0.88 2.45 -0.85 0.00 0.00 0.00 175.35 176.07 2giw n GLU 61 N -2.26 1.29 0.13 1.78 0.28 -1.26 -1.39 120.64 119.20 2giw n GLU 61 Ca 0.16 -0.40 0.00 0.00 -0.16 0.00 0.00 57.16 56.76 2giw n GLU 61 Cb 0.62 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 32.03 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 2.01 0.00 -0.19 3.44 1.02 -1.26 -4.69 120.64 120.96 2giw n GLU 62 Ca 0.17 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.26 2giw n GLU 62 Cb 0.61 -0.01 0.04 0.00 -0.02 0.00 0.00 31.44 32.07 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 1.11 -0.12 2.62 1.35 -1.86 -0.50 112.91 115.49 2giw h THR 63 Ca 0.00 -0.25 -0.01 0.00 -0.55 0.00 0.00 66.41 65.60 2giw h THR 63 Cb 0.00 0.32 -0.01 0.00 -1.73 0.00 0.00 68.15 66.74 2giw h THR 63 CO 0.00 0.13 0.05 -0.07 -0.25 0.00 0.00 175.52 175.38 2giw h LEU 64 N 0.72 0.17 -0.07 3.87 4.07 -1.56 -0.80 115.31 121.72 2giw h LEU 64 Ca 0.22 -0.17 0.03 0.00 0.08 0.00 0.00 57.88 58.04 2giw h LEU 64 Cb -0.04 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 41.62 2giw h LEU 64 CO -0.07 0.30 -0.16 0.24 -1.08 0.00 0.00 178.44 177.68 2giw h MET 65 N 0.04 -0.21 -0.15 1.13 2.86 -1.68 0.45 114.93 117.37 2giw h MET 65 Ca 0.04 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2giw h MET 65 Cb 0.18 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 2giw h MET 65 CO -0.00 -0.14 0.09 1.49 1.06 0.00 0.00 176.91 179.41 2giw h GLU 66 N -0.22 0.20 0.79 1.72 4.81 -1.06 -0.07 114.58 120.75 2giw h GLU 66 Ca 0.07 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2giw h GLU 66 Cb 0.33 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 2giw h GLU 66 CO -0.20 0.16 -0.49 -0.92 -0.73 0.00 0.00 179.01 176.83 2giw h TYR 67 N 0.18 -1.30 -0.16 0.92 3.20 -0.87 -0.44 116.97 118.49 2giw h TYR 67 Ca 0.05 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 2giw h TYR 67 Cb 0.01 0.47 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 2giw h TYR 67 CO -0.06 -0.73 0.00 -0.07 -1.64 0.00 0.00 178.16 175.66 2giw h LEU 68 N -1.20 0.20 -0.64 2.82 -0.00 -0.90 0.37 115.31 115.96 2giw h LEU 68 Ca -0.11 -0.02 -0.06 0.00 -0.00 0.00 0.00 57.88 57.69 2giw h LEU 68 Cb 0.96 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 41.54 2giw h LEU 68 CO 0.11 0.25 0.17 -0.08 -0.00 0.00 0.00 178.44 178.88 2giw h GLU 69 N 0.22 1.02 -1.07 1.13 4.81 -0.77 -3.42 114.58 116.51 2giw h GLU 69 Ca 0.05 -0.24 -0.19 0.00 -0.13 0.00 0.00 59.36 58.86 2giw h GLU 69 Cb 0.16 -0.14 -0.18 0.00 0.63 0.00 0.00 28.75 29.22 2giw h GLU 69 CO 0.00 0.91 -0.53 -1.71 -0.73 0.00 0.00 179.01 176.95 2giw n ASN 70 N -4.32 -3.20 -0.04 1.04 2.85 -0.20 -4.52 115.26 106.87 2giw n ASN 70 Ca 0.04 -2.89 -0.16 0.00 -0.11 0.00 0.00 54.58 51.46 2giw n ASN 70 Cb 0.24 1.57 -0.07 0.00 1.24 0.00 0.00 39.78 42.76 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 5.00 0.74 -0.28 1.20 0.13 -0.53 -0.02 132.00 138.24 2giw h PRO 71 Ca 0.07 -0.54 0.03 0.00 -0.87 0.00 0.00 66.00 64.68 2giw h PRO 71 Cb 1.09 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2giw h PRO 71 CO 0.05 1.16 0.19 -0.22 -0.23 0.00 0.00 178.00 178.95 2giw h LYS 72 N 0.45 0.24 0.11 0.86 3.64 -1.78 -0.98 116.57 119.12 2giw h LYS 72 Ca -0.02 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2giw h LYS 72 Cb 1.23 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2giw h LYS 72 CO 0.13 0.16 -0.05 -0.22 -2.27 0.00 0.00 179.45 177.19 2giw h LYS 73 N 0.24 -0.15 -0.46 1.90 3.64 -1.74 -2.16 116.57 117.85 2giw h LYS 73 Ca 0.12 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.58 2giw h LYS 73 Cb 0.16 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 31.92 2giw h LYS 73 CO -0.02 0.29 -0.43 -0.92 -2.27 0.00 0.00 179.45 176.10 2giw h TYR 74 N -0.93 -1.25 -2.78 1.91 3.20 -0.75 -3.37 116.97 113.01 2giw h TYR 74 Ca -0.02 0.07 -0.54 0.00 3.14 0.00 0.00 58.73 61.38 2giw h TYR 74 Cb 0.51 0.61 -0.40 0.00 1.54 0.00 0.00 36.73 38.99 2giw h TYR 74 CO 0.10 -0.43 -0.79 0.42 -1.64 0.00 0.00 178.16 175.82 2giw s ILE 75 N -5.85 0.05 0.49 1.81 1.01 -0.40 -5.09 121.20 113.23 2giw s ILE 75 Ca -0.15 -0.99 -0.22 0.00 0.00 0.00 0.00 60.65 59.29 2giw s ILE 75 Cb 0.12 -1.06 -0.06 0.00 0.01 0.00 0.00 42.46 41.46 2giw s ILE 75 CO 0.66 -0.77 1.22 -2.16 0.00 0.00 0.00 174.94 173.88 2giw s PRO 76 N 1.87 3.55 0.00 2.79 0.04 -0.81 -3.46 135.00 138.97 2giw s PRO 76 Ca 0.11 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2giw s PRO 76 Cb -0.17 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.03 2giw s PRO 76 CO -0.29 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 176.40 2giw n GLY 77 N 0.51 2.47 3.64 0.56 0.00 -1.26 -5.00 105.19 106.12 2giw n GLY 77 Ca 0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 2giw n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2giw n THR 78 N -0.61 1.26 -0.07 2.61 5.66 -1.22 -4.87 114.28 117.04 2giw n THR 78 Ca 0.00 -0.32 -0.08 0.00 -3.05 0.00 0.00 64.05 60.60 2giw n THR 78 Cb 0.00 -1.30 0.11 0.00 -1.55 0.00 0.00 70.33 67.60 2giw n THR 78 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2giw n LYS 79 N 1.54 1.92 0.07 1.09 4.01 -1.26 -4.30 118.16 121.24 2giw n LYS 79 Ca 0.11 -1.51 0.03 0.00 -0.51 0.00 0.00 58.31 56.43 2giw n LYS 79 Cb 0.31 -1.65 0.42 0.00 -0.51 0.00 0.00 35.03 33.60 2giw n LYS 79 CO 0.00 0.00 0.00 1.98 -1.11 0.00 0.00 177.40 178.27 2giw h MET 80 N 0.84 0.36 -6.00 1.97 4.05 -1.89 -3.48 114.93 110.78 2giw h MET 80 Ca 0.24 -0.05 -0.22 0.00 -0.28 0.00 0.00 59.70 59.39 2giw h MET 80 Cb 1.77 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 32.50 2giw h MET 80 CO 0.48 0.35 -0.52 -0.89 0.23 0.00 0.00 176.91 176.56 2giw n ILE 81 N -4.38 -7.07 -3.78 1.77 2.08 -1.26 -5.03 119.36 101.69 2giw n ILE 81 Ca 0.01 -0.11 -0.10 0.00 0.56 0.00 0.00 62.75 63.11 2giw n ILE 81 Cb 0.16 -5.12 -0.05 0.00 -0.75 0.00 0.00 39.64 33.89 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 -2.96 0.01 0.00 1.39 5.36 -1.26 -5.13 117.98 115.38 2giw s PHE 82 Ca 0.01 -0.35 0.00 0.00 -0.96 0.00 0.00 56.93 55.63 2giw s PHE 82 Cb -0.00 0.23 0.00 0.00 -0.34 0.00 0.00 43.02 42.91 2giw s PHE 82 CO 0.82 -0.81 0.00 0.00 -1.46 0.00 0.00 175.22 173.77 2giw n ALA 83 N -0.27 0.68 -2.68 11.12 0.00 -1.26 -4.35 120.51 123.74 2giw n ALA 83 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.12 2giw n ALA 83 Cb 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.07 2giw n ALA 83 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2giw s GLY 84 N -0.68 1.39 -0.11 0.00 0.00 -1.26 -4.09 107.32 102.58 2giw s GLY 84 Ca 0.00 -1.21 -0.03 0.00 0.00 0.00 0.00 44.72 43.48 2giw s GLY 84 CO 0.00 -1.16 -0.12 4.51 0.00 0.00 0.00 173.10 176.33 2giw n ILE 85 N -1.64 0.61 0.00 0.90 0.13 -1.26 -5.06 119.36 113.04 2giw n ILE 85 Ca -0.04 -0.19 0.00 0.00 -1.10 0.00 0.00 62.75 61.42 2giw n ILE 85 Cb 0.57 -1.28 0.00 0.00 -0.84 0.00 0.00 39.64 38.10 2giw n ILE 85 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 2giw n LYS 86 N -3.17 0.00 0.18 9.51 4.81 -1.26 -5.04 118.16 123.19 2giw n LYS 86 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.24 2giw n LYS 86 Cb 0.68 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.73 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 -2.25 0.00 0.10 1.64 3.00 -1.26 -5.08 118.16 114.31 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 -3.32 0.00 -0.32 1.64 4.81 -1.26 -4.92 118.16 114.79 2giw n LYS 88 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 2giw n LYS 88 Cb 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.05 2giw n LYS 88 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2giw h THR 89 N 0.00 0.04 -0.20 3.15 2.02 -2.00 0.29 112.91 116.21 2giw h THR 89 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 2giw h THR 89 Cb 0.00 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.44 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 -0.07 0.19 0.00 6.66 5.08 -1.96 0.58 114.58 125.04 2giw h GLU 90 Ca 0.26 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2giw h GLU 90 Cb 0.55 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2giw h GLU 90 CO -0.87 0.12 0.00 -2.13 -1.00 0.00 0.00 179.01 175.13 2giw n ARG 91 N -4.50 0.29 -0.07 2.33 0.00 1.00 -1.45 116.66 114.25 2giw n ARG 91 Ca 0.01 0.10 -0.15 0.00 -0.00 0.00 0.00 57.85 57.80 2giw n ARG 91 Cb 0.14 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.05 2giw n ARG 91 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2giw n GLU 92 N -1.27 0.35 -0.22 -0.14 4.07 -0.00 -4.48 120.64 118.94 2giw n GLU 92 Ca 0.09 0.15 -0.07 0.00 -0.06 0.00 0.00 57.16 57.27 2giw n GLU 92 Cb 0.15 -1.09 -0.02 0.00 -0.06 0.00 0.00 31.44 30.41 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 -0.61 -1.45 -0.40 4.31 3.32 -0.94 0.41 116.42 121.06 2giw h ASP 93 Ca -0.33 0.25 0.02 0.00 0.02 0.00 0.00 57.03 57.00 2giw h ASP 93 Cb 1.19 0.67 -0.03 0.00 0.22 0.00 0.00 39.33 41.39 2giw h ASP 93 CO -0.20 -0.32 0.22 -0.07 -1.72 0.00 0.00 179.24 177.14 2giw h LEU 94 N -0.19 0.33 -0.87 1.55 -0.00 -1.52 0.85 115.31 115.46 2giw h LEU 94 Ca 0.20 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 2giw h LEU 94 Cb 0.56 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 2giw h LEU 94 CO -0.72 0.24 0.00 -0.38 -0.00 0.00 0.00 178.44 177.59 2giw n ILE 95 N -4.89 0.11 -0.03 1.22 -0.00 -0.14 -2.38 119.36 113.25 2giw n ILE 95 Ca 0.01 -0.06 -0.06 0.00 -0.00 0.00 0.00 62.75 62.64 2giw n ILE 95 Cb 0.08 -0.36 -0.03 0.00 -0.00 0.00 0.00 39.64 39.34 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 -0.08 2.23 -0.02 -1.39 0.00 0.12 -4.50 120.51 116.88 2giw n ALA 96 Ca 0.01 -0.28 -0.10 0.00 0.00 0.00 0.00 53.44 53.07 2giw n ALA 96 Cb 0.23 0.38 -0.04 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.14 -0.91 0.00 0.00 3.20 -0.84 -1.51 116.97 116.76 2giw h TYR 97 Ca -0.17 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.74 2giw h TYR 97 Cb 1.19 0.43 -0.00 0.00 1.54 0.00 0.00 36.73 39.89 2giw h TYR 97 CO -0.01 -0.40 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.03 2giw h LEU 98 N -0.37 0.00 -1.68 2.82 3.38 -1.73 0.21 115.31 117.93 2giw h LEU 98 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2giw h LEU 98 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2giw h LEU 98 CO -0.39 0.01 -0.15 0.50 0.09 0.00 0.00 178.44 178.50 2giw h LYS 99 N 0.00 0.00 0.00 1.13 3.64 -1.50 -1.16 116.57 118.68 2giw h LYS 99 Ca -0.00 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 2giw h LYS 99 Cb 0.10 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 2giw h LYS 99 CO 0.00 0.15 -2.13 0.36 -2.27 0.00 0.00 179.45 175.56 2giw n LYS 100 N -3.56 0.89 -0.09 1.90 2.85 0.22 -4.53 118.16 115.84 2giw n LYS 100 Ca -0.01 -0.06 -0.04 0.00 -1.05 0.00 0.00 58.31 57.14 2giw n LYS 100 Cb 0.29 -1.47 0.17 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 1.18 1.12 0.00 0.58 0.00 -0.25 0.31 119.26 122.20 2giw h ALA 101 Ca -0.33 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2giw h ALA 101 Cb 1.73 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2giw h ALA 101 CO 0.02 0.56 0.00 -2.37 0.00 0.00 0.00 179.25 177.46 2giw n THR 102 N -4.21 1.33 -2.91 0.00 5.66 -0.48 -3.39 114.28 110.28 2giw n THR 102 Ca 0.02 0.61 -0.13 0.00 -3.05 0.00 0.00 64.05 61.50 2giw n THR 102 Cb 0.31 -1.60 0.02 0.00 -1.55 0.00 0.00 70.33 67.51 2giw n THR 102 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2giw n ASN 103 N -1.99 -1.57 -0.07 1.09 5.15 -0.03 -4.76 115.26 113.09 2giw n ASN 103 Ca -0.01 -3.21 0.01 0.00 -0.60 0.00 0.00 54.58 50.77 2giw n ASN 103 Cb 0.04 0.95 0.01 0.00 -0.53 0.00 0.00 39.78 40.25 2giw n ASN 103 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82