#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 0.04 1.61 8.00 -1.26 -4.81 116.55 120.13 2giw n ASP 2 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2giw n ASP 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2giw n ASP 2 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 2giw n VAL 3 N 0.00 0.00 -0.01 2.53 3.14 -1.26 -4.56 118.33 118.17 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 0.07 -0.64 1.45 4.39 -1.97 0.16 114.58 118.04 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 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.58 2giw h GLU 4 CO 0.00 0.36 0.29 0.87 -1.16 0.00 0.00 179.01 179.36 2giw h LYS 5 N -0.23 0.49 0.14 2.33 1.57 -1.94 0.17 116.57 119.10 2giw h LYS 5 Ca 0.01 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2giw h LYS 5 Cb 0.33 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 2giw h LYS 5 CO 0.00 0.32 -0.31 0.78 -0.57 0.00 0.00 179.45 179.68 2giw h GLY 6 N 0.50 -0.60 0.94 3.86 0.00 -1.60 0.19 103.07 106.37 2giw h GLY 6 Ca 0.32 0.37 0.02 0.00 0.00 0.00 0.00 47.33 48.03 2giw h GLY 6 CO -0.27 -0.25 0.54 1.70 0.00 0.00 0.00 176.54 178.26 2giw h LYS 7 N -0.54 1.04 -0.00 4.80 3.64 -0.15 0.15 116.57 125.50 2giw h LYS 7 Ca 0.03 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2giw h LYS 7 Cb 0.56 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2giw h LYS 7 CO -0.17 0.69 -0.01 0.87 -2.27 0.00 0.00 179.45 178.56 2giw h LYS 8 N 1.07 0.01 -0.22 1.90 1.79 -0.49 -1.13 116.57 119.50 2giw h LYS 8 Ca 0.32 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.74 2giw h LYS 8 Cb -0.06 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.58 2giw h LYS 8 CO -0.09 0.57 0.01 0.82 -1.08 0.00 0.00 179.45 179.68 2giw h ILE 9 N -0.54 1.25 -0.19 1.86 2.04 -0.82 -0.24 117.51 120.87 2giw h ILE 9 Ca 0.00 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.04 2giw h ILE 9 Cb 0.57 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 2giw h ILE 9 CO 0.00 0.26 -0.28 0.15 0.00 0.00 0.00 178.15 178.29 2giw h PHE 10 N 0.17 -0.84 -0.92 1.37 3.04 -0.73 -0.97 116.94 118.06 2giw h PHE 10 Ca 0.06 0.04 0.17 0.00 3.98 0.00 0.00 57.97 62.22 2giw h PHE 10 Cb 0.38 0.39 -0.08 0.00 2.56 0.00 0.00 35.95 39.20 2giw h PHE 10 CO 0.03 -0.25 0.59 0.28 -2.02 0.00 0.00 178.31 176.94 2giw h VAL 11 N -0.21 0.77 -0.94 1.41 2.07 -0.94 0.77 116.25 119.18 2giw h VAL 11 Ca 0.03 -0.22 0.11 0.00 0.82 0.00 0.00 66.70 67.45 2giw h VAL 11 Cb 0.30 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.07 2giw h VAL 11 CO -0.29 0.12 0.60 -0.61 0.02 0.00 0.00 177.57 177.41 2giw h GLN 12 N 0.65 0.88 0.00 1.57 -0.00 0.27 -3.28 115.11 115.20 2giw h GLN 12 Ca 0.48 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 59.08 2giw h GLN 12 Cb 0.86 -0.20 0.00 0.00 0.00 0.00 0.00 27.48 28.14 2giw h GLN 12 CO -0.23 0.58 -0.42 0.36 0.00 0.00 0.00 178.83 179.12 2giw n LYS 13 N -4.57 0.01 0.00 1.69 0.00 0.28 -4.89 118.16 110.68 2giw n LYS 13 Ca 0.17 -0.94 0.00 0.00 -0.00 0.00 0.00 58.31 57.54 2giw n LYS 13 Cb 0.35 -0.51 0.00 0.00 -0.00 0.00 0.00 35.03 34.88 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 2.50 -1.24 0.00 0.00 -1.60 0.70 119.26 119.61 2giw h ALA 15 Ca 0.00 -0.02 0.38 0.00 0.00 0.00 0.00 54.91 55.27 2giw h ALA 15 Cb 0.65 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.36 2giw h ALA 15 CO 0.00 -0.66 0.81 0.37 0.00 0.00 0.00 179.25 179.77 2giw h GLN 16 N 0.03 0.17 0.00 0.00 -0.00 -1.88 -2.15 115.11 111.28 2giw h GLN 16 Ca 0.27 -0.01 -0.31 0.00 -0.00 0.00 0.00 58.65 58.60 2giw h GLN 16 Cb 1.05 -0.04 -0.06 0.00 0.00 0.00 0.00 27.48 28.43 2giw h GLN 16 CO -0.01 0.11 -2.17 0.00 0.00 0.00 0.00 178.83 176.76 2giw s HIS 18 N -2.41 3.54 -1.54 0.00 3.76 -0.02 -3.48 115.29 115.14 2giw s HIS 18 Ca -0.24 -3.27 -0.11 0.00 -0.15 0.00 0.00 55.06 51.29 2giw s HIS 18 Cb 0.07 -2.79 -0.02 0.00 1.11 0.00 0.00 32.58 30.94 2giw s HIS 18 CO 0.52 -0.60 2.66 0.25 -0.85 0.00 0.00 174.74 176.72 2giw n THR 19 N 2.23 4.16 -2.49 1.30 -2.24 -1.23 -4.06 114.28 111.95 2giw n THR 19 Ca 0.17 -2.94 -0.40 0.00 -2.27 0.00 0.00 64.05 58.61 2giw n THR 19 Cb 0.35 -2.56 -0.02 0.00 -2.10 0.00 0.00 70.33 66.00 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 2.09 3.96 0.30 2.28 0.11 -1.26 -3.26 120.40 124.63 2giw s VAL 20 Ca 0.61 -1.38 0.00 0.00 -2.93 0.00 0.00 61.98 58.28 2giw s VAL 20 Cb 0.17 -5.03 0.00 0.00 -1.53 0.00 0.00 36.38 29.99 2giw s VAL 20 CO -0.07 -1.84 0.00 1.21 -3.33 0.00 0.00 175.10 171.07 2giw n GLU 21 N 8.56 0.00 -1.41 1.54 2.13 -1.26 -4.95 120.64 125.25 2giw n GLU 21 Ca 0.43 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 58.11 2giw n GLU 21 Cb 0.48 0.00 0.10 0.00 0.27 0.00 0.00 31.44 32.29 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 -3.37 2.74 -3.67 5.31 2.85 -1.26 -4.97 118.16 115.79 2giw n LYS 22 Ca 0.00 -3.72 -0.28 0.00 -1.05 0.00 0.00 58.31 53.26 2giw n LYS 22 Cb 0.00 -2.04 0.03 0.00 -0.65 0.00 0.00 35.03 32.37 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 -0.90 -1.07 0.00 2.58 0.00 -1.26 -4.98 105.19 99.56 2giw n GLY 23 Ca 0.38 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.87 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 -1.74 -0.54 3.24 -0.02 0.00 -1.20 -5.07 105.19 99.87 2giw n GLY 24 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 1.43 -0.47 1.61 3.01 -1.26 -5.08 119.74 118.98 2giw s LYS 25 Ca 0.00 -1.77 0.08 0.00 -1.01 0.00 0.00 55.97 53.26 2giw s LYS 25 Cb 0.00 0.30 0.28 0.00 -1.01 0.00 0.00 37.83 37.40 2giw s LYS 25 CO 0.00 -0.50 0.66 0.72 0.51 0.00 0.00 175.35 176.74 2giw n HIS 26 N -0.41 1.23 -0.09 3.18 8.25 -1.26 -3.98 115.22 122.14 2giw n HIS 26 Ca 0.04 -3.81 -0.16 0.00 -0.26 0.00 0.00 57.72 53.53 2giw n HIS 26 Cb 0.64 -0.43 -0.08 0.00 1.12 0.00 0.00 29.99 31.24 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 0.87 0.44 -1.33 -0.41 4.81 -1.26 -4.74 118.16 116.54 2giw n LYS 27 Ca 0.25 0.14 0.03 0.00 -0.87 0.00 0.00 58.31 57.86 2giw n LYS 27 Cb 0.51 -1.30 0.02 0.00 0.02 0.00 0.00 35.03 34.28 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 -3.37 0.00 0.00 3.15 -1.04 -1.26 -5.04 114.28 106.71 2giw n THR 28 Ca -0.35 -0.82 0.00 0.00 -2.04 0.00 0.00 64.05 60.84 2giw n THR 28 Cb 0.82 0.91 0.00 0.00 -1.82 0.00 0.00 70.33 70.23 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 0.41 0.48 3.72 3.41 0.00 -1.23 -4.80 105.19 107.18 2giw n GLY 29 Ca 0.04 0.66 -0.42 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 4.21 -0.10 1.61 0.04 -1.26 -4.33 135.00 135.17 2giw s PRO 30 Ca 0.00 2.36 -0.36 0.00 0.04 0.00 0.00 61.00 63.04 2giw s PRO 30 Cb 0.00 -3.15 -0.14 0.00 0.04 0.00 0.00 34.50 31.25 2giw s PRO 30 CO 0.00 -0.60 1.76 0.27 0.04 0.00 0.00 177.00 178.47 2giw n ASN 31 N 3.91 2.94 -2.37 6.66 6.94 -1.26 -4.82 115.26 127.26 2giw n ASN 31 Ca 0.14 1.03 -0.20 0.00 -0.02 0.00 0.00 54.58 55.53 2giw n ASN 31 Cb 0.38 -1.29 -0.13 0.00 -2.36 0.00 0.00 39.78 36.38 2giw n ASN 31 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2giw n LEU 32 N 5.54 6.22 -0.25 -4.53 4.77 -1.26 -4.63 117.00 122.87 2giw n LEU 32 Ca 0.23 -3.54 -0.02 0.00 -0.03 0.00 0.00 56.01 52.65 2giw n LEU 32 Cb 0.23 -1.45 0.10 0.00 -2.33 0.00 0.00 43.42 39.97 2giw n LEU 32 CO 0.74 1.80 1.12 -0.74 -1.33 0.00 0.00 177.39 178.98 2giw h HIS 33 N 3.53 0.78 -1.32 -1.77 2.76 -1.92 -3.41 115.15 113.80 2giw h HIS 33 Ca 0.38 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.56 2giw h HIS 33 Cb 1.16 -0.25 -0.24 0.00 1.55 0.00 0.00 27.41 29.63 2giw h HIS 33 CO 1.80 0.40 -0.38 0.20 -1.30 0.00 0.00 177.93 178.66 2giw s GLY 34 N -3.00 -0.84 -0.05 5.26 0.00 -1.26 -4.41 107.32 103.02 2giw s GLY 34 Ca -0.13 1.27 -0.05 0.00 0.00 0.00 0.00 44.72 45.82 2giw s GLY 34 CO 0.77 3.21 -0.09 1.04 0.00 0.00 0.00 173.10 178.02 2giw n LEU 35 N 5.40 0.52 -4.55 0.66 4.77 -1.26 -4.63 117.00 117.91 2giw n LEU 35 Ca -0.00 0.09 -0.22 0.00 -0.03 0.00 0.00 56.01 55.85 2giw n LEU 35 Cb 0.51 -0.56 -0.08 0.00 -2.33 0.00 0.00 43.42 40.97 2giw n LEU 35 CO 0.02 -0.44 1.56 0.49 -1.33 0.00 0.00 177.39 177.69 2giw n PHE 36 N -3.02 1.12 0.00 -1.77 3.01 -1.08 -1.11 117.46 114.61 2giw n PHE 36 Ca -0.04 0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2giw n PHE 36 Cb 0.14 -2.44 0.00 0.00 -0.01 0.00 0.00 39.48 37.16 2giw n PHE 36 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2giw n GLY 37 N 6.46 0.78 2.71 1.37 0.00 -1.08 -5.03 105.19 110.41 2giw n GLY 37 Ca 0.47 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.20 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 0.43 0.65 -0.72 1.61 6.06 -0.27 -5.04 118.95 121.68 2giw s ARG 38 Ca 0.00 -0.81 -0.33 0.00 -2.50 0.00 0.00 55.73 52.09 2giw s ARG 38 Cb 0.00 -1.93 -0.17 0.00 0.06 0.00 0.00 34.95 32.91 2giw s ARG 38 CO 0.00 -0.88 2.47 1.63 -2.50 0.00 0.00 175.30 176.02 2giw n LYS 39 N 4.95 0.35 -1.83 5.12 4.76 -1.26 -3.28 118.16 126.97 2giw n LYS 39 Ca -0.05 0.04 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 2giw n LYS 39 Cb 0.43 -1.99 0.11 0.00 -1.84 0.00 0.00 35.03 31.75 2giw n LYS 39 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2giw s THR 40 N 8.75 2.00 0.00 -0.18 2.01 -0.01 -4.17 115.64 124.04 2giw s THR 40 Ca 1.22 0.00 0.00 0.00 0.31 0.00 0.00 61.69 63.22 2giw s THR 40 Cb -1.05 -2.95 0.00 0.00 0.01 0.00 0.00 72.50 68.51 2giw s THR 40 CO 0.48 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.02 2giw n GLY 41 N -3.15 0.69 2.82 4.40 0.00 -1.26 -3.99 105.19 104.71 2giw n GLY 41 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.10 0.86 -0.17 1.61 -0.44 -1.26 -4.73 119.66 115.44 2giw s GLN 42 Ca 0.00 -0.96 -0.10 0.00 -2.50 0.00 0.00 55.36 51.80 2giw s GLN 42 Cb 0.00 -0.40 -0.05 0.00 -1.64 0.00 0.00 33.01 30.92 2giw s GLN 42 CO 0.00 -1.27 0.16 0.00 0.50 0.00 0.00 175.29 174.69 2giw s ALA 43 N 1.15 3.72 -0.04 1.58 0.00 -1.26 -4.98 121.76 121.93 2giw s ALA 43 Ca 0.23 -0.63 -0.24 0.00 0.00 0.00 0.00 51.96 51.32 2giw s ALA 43 Cb -0.05 -2.16 -0.23 0.00 0.00 0.00 0.00 23.12 20.68 2giw s ALA 43 CO -0.07 0.27 1.05 -1.00 0.00 0.00 0.00 175.76 176.01 2giw h PRO 44 N 6.21 0.19 0.00 0.00 0.13 -2.00 -3.42 132.00 133.11 2giw h PRO 44 Ca -0.45 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 2giw h PRO 44 Cb 1.17 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2giw h PRO 44 CO 0.71 0.92 -0.14 0.78 -0.23 0.00 0.00 178.00 180.04 2giw h GLY 45 N -0.45 0.00 -4.96 1.56 0.00 -2.03 -3.47 103.07 93.72 2giw h GLY 45 Ca -0.03 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.63 2giw h GLY 45 CO 0.05 0.00 -0.88 -0.12 0.00 0.00 0.00 176.54 175.59 2giw s PHE 46 N -1.41 2.30 0.00 5.60 2.19 -1.26 -5.14 117.98 120.25 2giw s PHE 46 Ca -0.04 -0.65 0.00 0.00 0.33 0.00 0.00 56.93 56.57 2giw s PHE 46 Cb 0.01 -1.51 0.00 0.00 -1.31 0.00 0.00 43.02 40.21 2giw s PHE 46 CO 0.06 -0.19 0.00 -2.37 1.83 0.00 0.00 175.22 174.55 2giw n THR 47 N 2.92 0.00 -4.03 0.12 5.66 -1.26 -4.69 114.28 112.99 2giw n THR 47 Ca -0.17 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.72 2giw n THR 47 Cb 0.52 -0.07 -0.04 0.00 -1.55 0.00 0.00 70.33 69.20 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 -0.03 -0.81 -1.60 1.09 4.11 -1.26 -5.06 117.16 113.59 2giw n TYR 48 Ca 0.00 -1.67 -0.42 0.00 -0.00 0.00 0.00 57.90 55.80 2giw n TYR 48 Cb 0.00 0.28 0.00 0.00 -0.00 0.00 0.00 39.34 39.62 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 -0.39 2.27 -0.05 -3.48 -2.24 -1.26 -4.64 114.28 104.49 2giw n THR 49 Ca 0.03 -0.50 0.21 0.00 -2.27 0.00 0.00 64.05 61.52 2giw n THR 49 Cb 0.39 -1.11 0.67 0.00 -2.10 0.00 0.00 70.33 68.18 2giw n THR 49 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2giw h ASP 50 N 1.66 0.05 -1.01 3.42 3.32 -1.96 0.98 116.42 122.89 2giw h ASP 50 Ca -0.43 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.65 2giw h ASP 50 Cb 1.34 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.83 2giw h ASP 50 CO 0.58 0.03 0.66 0.00 -1.72 0.00 0.00 179.24 178.79 2giw h ALA 51 N 1.69 1.32 0.04 3.45 0.00 -1.85 0.43 119.26 124.34 2giw h ALA 51 Ca 0.30 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 2giw h ALA 51 Cb 1.12 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 18.54 2giw h ALA 51 CO -0.02 0.59 -0.34 -0.97 0.00 0.00 0.00 179.25 178.52 2giw h ASN 52 N 1.31 0.22 -0.45 0.00 -0.73 -1.19 -3.33 115.58 111.41 2giw h ASN 52 Ca 0.39 -0.92 0.10 0.00 1.87 0.00 0.00 56.30 57.74 2giw h ASN 52 Cb -0.05 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 38.45 2giw h ASN 52 CO -0.11 1.12 0.31 0.50 -0.37 0.00 0.00 177.43 178.88 2giw h LYS 53 N -0.64 0.17 0.00 6.67 3.64 -0.67 0.11 116.57 125.84 2giw h LYS 53 Ca -0.06 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2giw h LYS 53 Cb 1.21 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2giw h LYS 53 CO 0.06 0.11 -0.13 -0.97 -2.27 0.00 0.00 179.45 176.26 2giw h ASN 54 N 0.18 0.00 -0.13 4.20 -0.73 -0.24 -3.36 115.58 115.49 2giw h ASN 54 Ca 0.21 0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.43 2giw h ASN 54 Cb 0.60 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 39.13 2giw h ASN 54 CO -0.03 0.13 -0.25 0.11 -0.37 0.00 0.00 177.43 177.01 2giw h LYS 55 N 0.00 -0.31 -1.21 6.67 1.79 -1.10 -3.46 116.57 118.94 2giw h LYS 55 Ca -0.00 0.02 -0.32 0.00 -2.18 0.00 0.00 60.65 58.17 2giw h LYS 55 Cb 0.45 0.07 -0.09 0.00 -1.58 0.00 0.00 32.23 31.08 2giw h LYS 55 CO 0.02 -0.21 -0.33 0.41 -1.08 0.00 0.00 179.45 178.26 2giw n GLY 56 N -1.38 1.02 0.00 3.86 0.00 -1.26 -4.96 105.19 102.48 2giw n GLY 56 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.99 0.00 -2.55 -0.61 -5.35 -1.26 -4.69 119.36 101.91 2giw n ILE 57 Ca -0.17 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.31 2giw n ILE 57 Cb 0.56 0.00 0.03 0.00 -1.74 0.00 0.00 39.64 38.49 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 0.00 0.40 -2.79 7.28 -1.04 -1.26 -0.83 114.28 116.04 2giw n THR 58 Ca 0.00 -1.42 -0.05 0.00 -2.04 0.00 0.00 64.05 60.53 2giw n THR 58 Cb 0.00 1.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.52 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 -0.30 -0.41 -2.86 -1.42 7.02 -1.21 -2.64 117.44 115.63 2giw n TRP 59 Ca -0.04 0.16 -0.19 0.00 -1.02 0.00 0.00 57.50 56.41 2giw n TRP 59 Cb 0.91 -0.55 0.04 0.00 -2.42 0.00 0.00 31.31 29.29 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 -2.67 2.50 0.00 -0.99 0.00 -1.26 -2.62 119.74 114.69 2giw s LYS 60 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 55.97 54.79 2giw s LYS 60 Cb -0.00 -2.61 0.00 0.00 0.00 0.00 0.00 37.83 35.22 2giw s LYS 60 CO 0.18 -0.66 0.20 -0.85 0.00 0.00 0.00 175.35 174.22 2giw n GLU 61 N -2.19 0.24 -0.01 1.78 0.28 -1.26 -1.65 120.64 117.83 2giw n GLU 61 Ca 0.10 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 57.06 2giw n GLU 61 Cb 0.60 -1.04 -0.01 0.00 1.43 0.00 0.00 31.44 32.42 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 -0.21 0.12 0.09 3.44 1.02 -1.26 -4.54 120.64 119.31 2giw n GLU 62 Ca 0.00 0.05 -0.06 0.00 -0.02 0.00 0.00 57.16 57.13 2giw n GLU 62 Cb 0.02 -0.70 0.07 0.00 -0.02 0.00 0.00 31.44 30.81 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 -0.21 1.45 -0.48 2.62 1.35 -1.85 -2.55 112.91 113.24 2giw h THR 63 Ca -0.08 -2.30 0.03 0.00 -0.55 0.00 0.00 66.41 63.52 2giw h THR 63 Cb 0.70 2.23 -0.04 0.00 -1.73 0.00 0.00 68.15 69.31 2giw h THR 63 CO -0.05 0.67 0.26 -0.07 -0.25 0.00 0.00 175.52 176.08 2giw h LEU 64 N 0.11 0.40 0.22 3.87 4.07 -1.60 -0.33 115.31 122.05 2giw h LEU 64 Ca -0.02 0.02 0.01 0.00 0.08 0.00 0.00 57.88 57.96 2giw h LEU 64 Cb 1.28 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.93 2giw h LEU 64 CO 0.11 0.28 -0.28 0.24 -1.08 0.00 0.00 178.44 177.71 2giw h MET 65 N 0.52 -0.53 -0.43 1.13 2.86 -1.72 -0.95 114.93 115.80 2giw h MET 65 Ca 0.20 0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.93 2giw h MET 65 Cb 0.08 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 2giw h MET 65 CO -0.12 -0.36 0.17 1.49 1.06 0.00 0.00 176.91 179.16 2giw h GLU 66 N -0.55 0.34 0.95 1.72 4.81 -1.28 -0.39 114.58 120.18 2giw h GLU 66 Ca 0.01 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 2giw h GLU 66 Cb 0.53 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.85 2giw h GLU 66 CO -0.10 0.23 -0.46 -0.92 -0.73 0.00 0.00 179.01 177.03 2giw h TYR 67 N 0.35 -1.19 -0.09 0.92 3.20 -0.87 0.04 116.97 119.33 2giw h TYR 67 Ca 0.19 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.06 2giw h TYR 67 Cb 0.16 0.39 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 2giw h TYR 67 CO -0.14 -0.74 0.07 -0.07 -1.64 0.00 0.00 178.16 175.64 2giw h LEU 68 N -1.28 0.00 0.19 2.82 -0.00 -1.04 0.49 115.31 116.48 2giw h LEU 68 Ca -0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.74 2giw h LEU 68 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.64 2giw h LEU 68 CO 0.21 0.00 -0.09 -0.08 -0.00 0.00 0.00 178.44 178.49 2giw h GLU 69 N 0.00 -0.24 -1.91 1.13 4.81 -0.88 -3.43 114.58 114.06 2giw h GLU 69 Ca 0.04 0.02 -0.52 0.00 -0.13 0.00 0.00 59.36 58.77 2giw h GLU 69 Cb 0.18 0.05 -0.38 0.00 0.63 0.00 0.00 28.75 29.23 2giw h GLU 69 CO -0.00 0.03 -1.11 0.27 -0.73 0.00 0.00 179.01 177.47 2giw n ASN 70 N -5.09 0.25 -0.02 1.04 0.23 -0.02 -4.57 115.26 107.08 2giw n ASN 70 Ca -0.09 -2.83 -0.10 0.00 -0.53 0.00 0.00 54.58 51.03 2giw n ASN 70 Cb 0.21 -0.52 -0.04 0.00 -2.08 0.00 0.00 39.78 37.35 2giw n ASN 70 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 2giw h PRO 71 N 3.66 0.17 0.00 -0.53 0.13 -1.18 0.19 132.00 134.44 2giw h PRO 71 Ca 0.07 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2giw h PRO 71 Cb 0.92 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2giw h PRO 71 CO 0.46 0.11 0.00 1.57 -0.23 0.00 0.00 178.00 179.91 2giw h LYS 72 N 0.17 0.00 0.00 0.86 2.10 -1.87 -1.16 116.57 116.67 2giw h LYS 72 Ca 0.06 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.56 2giw h LYS 72 Cb -0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.30 2giw h LYS 72 CO -0.03 0.00 -1.45 1.17 -2.00 0.00 0.00 179.45 177.14 2giw n LYS 73 N -2.62 0.55 -0.33 0.07 4.81 0.40 -4.23 118.16 116.81 2giw n LYS 73 Ca -0.02 0.24 0.19 0.00 -0.87 0.00 0.00 58.31 57.85 2giw n LYS 73 Cb 0.05 -1.46 0.37 0.00 0.02 0.00 0.00 35.03 34.01 2giw n LYS 73 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 2giw h TYR 74 N -1.00 0.22 -3.30 5.64 3.20 -0.81 -3.35 116.97 117.57 2giw h TYR 74 Ca -0.22 0.06 -0.68 0.00 3.14 0.00 0.00 58.73 61.04 2giw h TYR 74 Cb 1.17 0.06 -0.32 0.00 1.54 0.00 0.00 36.73 39.18 2giw h TYR 74 CO -0.31 -0.42 -0.86 0.42 -1.64 0.00 0.00 178.16 175.35 2giw s ILE 75 N -5.88 2.20 -1.10 1.81 1.01 -0.44 -5.02 121.20 113.78 2giw s ILE 75 Ca -0.12 -0.96 -0.18 0.00 0.00 0.00 0.00 60.65 59.39 2giw s ILE 75 Cb 0.30 -1.86 -0.06 0.00 0.01 0.00 0.00 42.46 40.84 2giw s ILE 75 CO 0.78 0.55 2.06 -0.81 0.00 0.00 0.00 174.94 177.52 2giw n PRO 76 N 3.70 2.14 0.00 2.79 -0.04 -1.26 -3.91 135.00 138.43 2giw n PRO 76 Ca -0.19 -2.22 0.00 0.00 -0.04 0.00 0.00 63.50 61.05 2giw n PRO 76 Cb 0.52 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 30.88 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 4.35 0.76 3.79 0.55 0.00 -1.26 -4.75 105.19 108.63 2giw n GLY 77 Ca 0.51 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.45 3.55 -0.48 2.61 -1.32 -1.25 -4.56 115.64 112.74 2giw s THR 78 Ca 0.00 0.50 0.25 0.00 -1.21 0.00 0.00 61.69 61.24 2giw s THR 78 Cb 0.00 -3.10 0.32 0.00 -1.51 0.00 0.00 72.50 68.22 2giw s THR 78 CO 0.00 -0.66 1.71 0.50 -2.21 0.00 0.00 174.62 173.96 2giw h LYS 79 N -0.99 0.00 -6.96 7.08 1.63 -1.98 -3.47 116.57 111.88 2giw h LYS 79 Ca -0.44 0.00 -0.52 0.00 -0.85 0.00 0.00 60.65 58.84 2giw h LYS 79 Cb 1.23 0.00 0.07 0.00 -0.60 0.00 0.00 32.23 32.93 2giw h LYS 79 CO 0.54 0.00 0.56 1.41 -3.45 0.00 0.00 179.45 178.51 2giw s MET 80 N -3.23 3.92 -0.46 1.90 1.75 -1.26 -5.00 119.30 116.92 2giw s MET 80 Ca 0.07 2.02 0.03 0.00 -1.25 0.00 0.00 55.69 56.56 2giw s MET 80 Cb 0.08 -2.66 0.13 0.00 2.84 0.00 0.00 34.83 35.21 2giw s MET 80 CO 0.62 -0.49 0.23 0.42 -0.65 0.00 0.00 175.02 175.15 2giw s ILE 81 N -1.34 1.96 -0.20 10.11 -1.09 -1.26 -4.90 121.20 124.48 2giw s ILE 81 Ca 0.58 -2.82 -0.15 0.00 -2.23 0.00 0.00 60.65 56.04 2giw s ILE 81 Cb -0.35 -2.38 0.06 0.00 -1.58 0.00 0.00 42.46 38.21 2giw s ILE 81 CO 0.44 -0.82 0.52 0.12 -1.23 0.00 0.00 174.94 173.97 2giw s PHE 82 N 0.17 -0.69 -0.37 3.97 5.36 -1.26 -5.13 117.98 120.03 2giw s PHE 82 Ca 0.16 1.52 0.02 0.00 -0.96 0.00 0.00 56.93 57.68 2giw s PHE 82 Cb -0.24 0.31 0.15 0.00 -0.34 0.00 0.00 43.02 42.90 2giw s PHE 82 CO -0.02 -0.35 0.33 0.00 -1.46 0.00 0.00 175.22 173.72 2giw s ALA 83 N 0.96 0.13 0.00 11.12 0.00 -1.26 -4.63 121.76 128.08 2giw s ALA 83 Ca -0.05 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.50 2giw s ALA 83 Cb -0.06 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.18 2giw s ALA 83 CO -0.08 -2.13 0.00 0.41 0.00 0.00 0.00 175.76 173.96 2giw n GLY 84 N 3.99 0.72 0.00 0.00 0.00 -1.26 -5.10 105.19 103.54 2giw n GLY 84 Ca 0.14 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 0.89 0.00 0.00 -0.61 3.06 -1.26 -5.08 119.36 116.35 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 -0.21 0.00 0.00 0.54 0.00 0.00 39.64 39.97 2giw n ILE 85 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 2giw n LYS 86 N -0.56 0.00 -2.71 9.51 5.02 -1.26 -4.99 118.16 123.18 2giw n LYS 86 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 2giw n LYS 86 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 2giw n LYS 86 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2giw n LYS 87 N -0.43 0.32 0.00 1.97 4.81 -1.26 -5.02 118.16 118.56 2giw n LYS 87 Ca 0.00 -1.28 0.00 0.00 -0.87 0.00 0.00 58.31 56.16 2giw n LYS 87 Cb 0.00 -0.62 0.00 0.00 0.02 0.00 0.00 35.03 34.43 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 2.42 0.00 0.00 1.64 4.76 -1.26 -4.49 118.16 121.23 2giw n LYS 88 Ca 0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 2giw n LYS 88 Cb 0.63 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.82 2giw n LYS 88 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2giw n THR 89 N 0.00 0.00 -0.27 -0.18 -1.04 -1.26 -0.69 114.28 110.84 2giw n THR 89 Ca 0.00 0.93 -0.00 0.00 -2.04 0.00 0.00 64.05 62.94 2giw n THR 89 Cb 0.00 -1.27 0.20 0.00 -1.82 0.00 0.00 70.33 67.44 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 1.10 -0.13 -2.82 4.81 -1.94 0.18 114.58 115.78 2giw h GLU 90 Ca 0.00 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 2giw h GLU 90 Cb 0.00 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 2giw h GLU 90 CO 0.00 0.73 0.16 -0.09 -0.73 0.00 0.00 179.01 179.08 2giw h ARG 91 N 1.14 0.00 0.00 1.92 2.43 -1.51 -0.98 114.38 117.38 2giw h ARG 91 Ca 0.31 0.00 -0.40 0.00 -0.81 0.00 0.00 59.98 59.09 2giw h ARG 91 Cb -0.12 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.36 2giw h ARG 91 CO -0.07 0.00 -2.44 -1.91 -1.51 0.00 0.00 179.97 174.04 2giw n GLU 92 N -3.71 0.61 0.11 0.20 4.07 0.13 -4.14 120.64 117.90 2giw n GLU 92 Ca 0.00 0.17 -0.15 0.00 -0.06 0.00 0.00 57.16 57.13 2giw n GLU 92 Cb 0.27 -1.48 -0.08 0.00 -0.06 0.00 0.00 31.44 30.09 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 -0.28 -1.31 -0.33 4.31 3.32 -0.45 0.80 116.42 122.48 2giw h ASP 93 Ca -0.59 0.15 0.04 0.00 0.02 0.00 0.00 57.03 56.65 2giw h ASP 93 Cb 1.78 0.49 -0.04 0.00 0.22 0.00 0.00 39.33 41.79 2giw h ASP 93 CO -0.18 -0.50 0.08 -0.07 -1.72 0.00 0.00 179.24 176.85 2giw h LEU 94 N -0.66 0.04 -0.80 1.55 -0.00 -1.44 0.36 115.31 114.36 2giw h LEU 94 Ca 0.02 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 2giw h LEU 94 Cb 0.69 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.41 2giw h LEU 94 CO -0.26 0.06 0.00 -0.38 -0.00 0.00 0.00 178.44 177.86 2giw n ILE 95 N -5.07 0.89 -0.03 1.22 2.08 -1.01 -1.50 119.36 115.94 2giw n ILE 95 Ca 0.01 0.33 -0.20 0.00 0.56 0.00 0.00 62.75 63.44 2giw n ILE 95 Cb 0.14 -1.27 -0.13 0.00 -0.75 0.00 0.00 39.64 37.63 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 -1.76 1.03 0.20 -1.39 0.00 0.24 -2.95 120.51 115.89 2giw n ALA 96 Ca 0.01 -0.72 -0.17 0.00 0.00 0.00 0.00 53.44 52.56 2giw n ALA 96 Cb 0.19 -0.54 -0.10 0.00 0.00 0.00 0.00 19.45 19.00 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 0.05 -1.48 -0.33 0.00 3.20 -0.69 -2.78 116.97 114.94 2giw h TYR 97 Ca -0.46 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.51 2giw h TYR 97 Cb 2.00 0.61 -0.02 0.00 1.54 0.00 0.00 36.73 40.86 2giw h TYR 97 CO 0.06 -0.64 0.23 -0.07 -1.64 0.00 0.00 178.16 176.11 2giw h LEU 98 N -0.88 0.09 -0.86 2.82 3.38 -1.38 0.33 115.31 118.81 2giw h LEU 98 Ca -0.03 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2giw h LEU 98 Cb 0.82 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.50 2giw h LEU 98 CO -0.18 0.06 0.54 0.50 0.09 0.00 0.00 178.44 179.45 2giw h LYS 99 N 0.11 0.99 0.00 1.13 3.11 -1.38 -1.57 116.57 118.96 2giw h LYS 99 Ca 0.15 -0.06 -0.06 0.00 -2.81 0.00 0.00 60.65 57.87 2giw h LYS 99 Cb 0.47 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.47 2giw h LYS 99 CO -0.02 0.65 -0.87 1.57 -2.81 0.00 0.00 179.45 177.97 2giw h LYS 100 N 1.02 0.00 -0.77 1.90 2.10 -0.46 -3.33 116.57 117.03 2giw h LYS 100 Ca 0.36 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.98 2giw h LYS 100 Cb 0.10 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.40 2giw h LYS 100 CO -0.15 0.16 0.35 0.00 -2.00 0.00 0.00 179.45 177.82 2giw h ALA 101 N 1.76 1.17 -0.05 0.07 0.00 0.46 0.10 119.26 122.76 2giw h ALA 101 Ca -0.05 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2giw h ALA 101 Cb 1.23 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2giw h ALA 101 CO 0.02 0.62 0.17 1.79 0.00 0.00 0.00 179.25 181.85 2giw h THR 102 N 1.10 0.13 -2.05 0.00 1.35 -1.52 -2.98 112.91 108.94 2giw h THR 102 Ca 0.26 0.00 -0.51 0.00 -0.55 0.00 0.00 66.41 65.61 2giw h THR 102 Cb 0.14 0.84 -0.40 0.00 -1.73 0.00 0.00 68.15 67.00 2giw h THR 102 CO -0.03 0.00 -1.08 -3.20 -0.25 0.00 0.00 175.52 170.96 2giw n ASN 103 N -3.22 1.44 0.00 5.36 5.15 0.26 -4.88 115.26 119.37 2giw n ASN 103 Ca -0.01 -3.10 0.00 0.00 -0.60 0.00 0.00 54.58 50.87 2giw n ASN 103 Cb 0.24 -0.61 0.00 0.00 -0.53 0.00 0.00 39.78 38.88 2giw n ASN 103 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82