#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 0.00 1.61 9.92 -1.26 -4.76 116.55 122.06 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 -0.33 0.00 -0.03 2.53 3.14 -1.26 -4.67 118.33 117.71 2giw n VAL 3 Ca 0.00 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.25 2giw n VAL 3 Cb 0.00 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 32.69 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 0.09 -0.43 1.45 4.39 -1.96 -0.78 114.58 117.35 2giw h GLU 4 Ca 0.00 -0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.73 2giw h GLU 4 Cb 0.00 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.57 2giw h GLU 4 CO 0.00 0.58 -0.12 0.87 -1.16 0.00 0.00 179.01 179.19 2giw h LYS 5 N -0.40 -0.01 -0.39 2.33 1.57 -1.94 0.13 116.57 117.86 2giw h LYS 5 Ca 0.00 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.87 2giw h LYS 5 Cb 0.57 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.80 2giw h LYS 5 CO 0.01 -0.01 -0.22 0.78 -0.57 0.00 0.00 179.45 179.45 2giw h GLY 6 N -0.01 0.03 1.53 3.86 0.00 -1.63 0.59 103.07 107.43 2giw h GLY 6 Ca 0.21 0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.73 2giw h GLY 6 CO -0.45 -0.20 -0.13 0.07 0.00 0.00 0.00 176.54 175.84 2giw h LYS 7 N -0.15 0.57 -0.07 4.80 2.10 -0.09 0.22 116.57 123.94 2giw h LYS 7 Ca 0.19 -0.17 -0.03 0.00 -2.00 0.00 0.00 60.65 58.63 2giw h LYS 7 Cb 0.45 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.72 2giw h LYS 7 CO -0.48 0.68 -0.08 -0.22 -2.00 0.00 0.00 179.45 177.35 2giw h LYS 8 N 0.52 0.18 -0.28 0.07 1.63 -0.00 -1.12 116.57 117.57 2giw h LYS 8 Ca 0.09 -0.10 -0.17 0.00 -0.85 0.00 0.00 60.65 59.62 2giw h LYS 8 Cb 0.53 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 2giw h LYS 8 CO 0.03 0.63 -0.50 0.82 -3.45 0.00 0.00 179.45 176.99 2giw h ILE 9 N -0.26 1.28 -0.13 2.00 5.03 -0.81 -1.90 117.51 122.73 2giw h ILE 9 Ca 0.01 -1.69 0.02 0.00 -0.12 0.00 0.00 64.86 63.08 2giw h ILE 9 Cb 0.60 1.66 -0.03 0.00 -3.03 0.00 0.00 36.82 36.03 2giw h ILE 9 CO 0.02 0.55 -0.21 0.15 -0.68 0.00 0.00 178.15 177.98 2giw h PHE 10 N 0.59 -0.64 -0.78 1.37 3.57 -0.58 -1.76 116.94 118.72 2giw h PHE 10 Ca 0.02 0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.71 2giw h PHE 10 Cb 1.10 0.30 -0.05 0.00 2.79 0.00 0.00 35.95 40.09 2giw h PHE 10 CO 0.08 -0.19 0.52 0.28 -2.23 0.00 0.00 178.31 176.77 2giw h VAL 11 N -0.17 0.76 -0.92 1.41 2.07 -1.08 0.46 116.25 118.78 2giw h VAL 11 Ca 0.02 -0.13 0.10 0.00 0.82 0.00 0.00 66.70 67.51 2giw h VAL 11 Cb 0.23 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 30.28 2giw h VAL 11 CO -0.21 0.07 0.59 -0.61 0.02 0.00 0.00 177.57 177.43 2giw h GLN 12 N 0.38 0.88 0.00 1.57 4.15 -0.49 -3.33 115.11 118.27 2giw h GLN 12 Ca 0.39 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.75 2giw h GLN 12 Cb 0.95 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.44 2giw h GLN 12 CO -0.12 0.58 0.00 0.36 -1.93 0.00 0.00 178.83 177.72 2giw n LYS 13 N -4.54 2.41 -0.08 1.69 2.85 0.17 -4.89 118.16 115.76 2giw n LYS 13 Ca 0.16 -0.02 -0.14 0.00 -1.05 0.00 0.00 58.31 57.26 2giw n LYS 13 Cb 0.32 -0.24 -0.06 0.00 -0.65 0.00 0.00 35.03 34.39 2giw n LYS 13 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2giw h ALA 15 N -0.28 2.61 -1.21 0.00 0.00 -1.66 0.94 119.26 119.66 2giw h ALA 15 Ca -0.37 -0.02 0.36 0.00 0.00 0.00 0.00 54.91 54.87 2giw h ALA 15 Cb 1.44 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.17 2giw h ALA 15 CO -0.15 -0.81 0.79 0.37 0.00 0.00 0.00 179.25 179.45 2giw h GLN 16 N 0.04 0.20 0.00 0.00 -0.00 -1.82 -2.39 115.11 111.14 2giw h GLN 16 Ca 0.34 -0.01 -0.25 0.00 -0.00 0.00 0.00 58.65 58.73 2giw h GLN 16 Cb 1.29 -0.05 -0.05 0.00 0.00 0.00 0.00 27.48 28.68 2giw h GLN 16 CO -0.02 0.13 -1.93 0.00 0.00 0.00 0.00 178.83 177.02 2giw s HIS 18 N -2.33 2.95 -0.58 0.00 3.76 0.04 -3.78 115.29 115.36 2giw s HIS 18 Ca -0.11 -3.06 -0.07 0.00 -0.15 0.00 0.00 55.06 51.67 2giw s HIS 18 Cb 0.04 -2.37 -0.18 0.00 1.11 0.00 0.00 32.58 31.19 2giw s HIS 18 CO 0.50 -0.65 3.33 0.25 -0.85 0.00 0.00 174.74 177.33 2giw n THR 19 N 2.48 3.51 -2.46 1.30 -2.24 -1.23 -4.04 114.28 111.59 2giw n THR 19 Ca 0.17 -2.01 -0.38 0.00 -2.27 0.00 0.00 64.05 59.55 2giw n THR 19 Cb 0.36 -2.17 -0.03 0.00 -2.10 0.00 0.00 70.33 66.39 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 1.10 3.85 0.01 2.28 0.11 -1.26 -3.15 120.40 123.34 2giw s VAL 20 Ca 0.67 -0.78 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 2giw s VAL 20 Cb 0.28 -4.88 0.00 0.00 -1.53 0.00 0.00 36.38 30.25 2giw s VAL 20 CO -0.03 -1.76 0.00 1.21 -3.33 0.00 0.00 175.10 171.19 2giw n GLU 21 N 8.84 0.00 -3.14 1.54 2.13 -1.26 -5.01 120.64 123.74 2giw n GLU 21 Ca 0.36 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.94 2giw n GLU 21 Cb 0.50 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.16 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 -2.53 1.99 -3.53 5.31 5.02 -1.26 -4.97 118.16 118.18 2giw n LYS 22 Ca 0.00 -4.09 -0.22 0.00 -2.02 0.00 0.00 58.31 51.98 2giw n LYS 22 Cb 0.00 -1.91 0.05 0.00 -0.02 0.00 0.00 35.03 33.15 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 0.36 -0.79 0.00 0.72 0.00 -1.26 -5.00 105.19 99.22 2giw n GLY 23 Ca 0.27 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 -1.47 -0.50 3.30 -0.02 0.00 -1.19 -5.11 105.19 100.21 2giw n GLY 24 Ca -0.16 -1.59 -0.18 0.00 0.00 0.00 0.00 46.02 44.08 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 1.20 -1.36 1.61 1.02 -1.26 -4.87 119.74 116.07 2giw s LYS 25 Ca 0.00 -1.45 -0.09 0.00 0.02 0.00 0.00 55.97 54.46 2giw s LYS 25 Cb 0.00 -1.01 -0.08 0.00 -0.52 0.00 0.00 37.83 36.22 2giw s LYS 25 CO 0.00 0.18 2.96 0.72 -0.92 0.00 0.00 175.35 178.28 2giw n HIS 26 N -0.01 2.13 -3.06 3.18 8.25 -1.26 -4.43 115.22 120.03 2giw n HIS 26 Ca -0.11 -2.84 -0.45 0.00 -0.26 0.00 0.00 57.72 54.07 2giw n HIS 26 Cb 0.59 -2.27 -0.03 0.00 1.12 0.00 0.00 29.99 29.40 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 1.44 3.33 -1.51 -0.41 2.20 -1.26 -4.36 119.74 119.18 2giw s LYS 27 Ca 0.67 -1.60 -0.02 0.00 -0.36 0.00 0.00 55.97 54.66 2giw s LYS 27 Cb 0.20 -4.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.02 2giw s LYS 27 CO -0.06 -1.61 0.22 2.41 -0.36 0.00 0.00 175.35 175.94 2giw n THR 28 N 5.31 -1.25 0.00 3.43 -1.04 -1.26 -4.45 114.28 115.02 2giw n THR 28 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 2giw n THR 28 Cb 0.46 -2.92 0.00 0.00 -1.82 0.00 0.00 70.33 66.05 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 -1.19 2.68 3.74 3.41 0.00 -1.25 -4.83 105.19 107.76 2giw n GLY 29 Ca -0.17 0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2giw n GLY 29 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2giw s PRO 30 N 0.00 2.70 -0.71 1.61 0.02 -1.26 -4.30 135.00 133.06 2giw s PRO 30 Ca 0.00 1.83 -0.26 0.00 0.02 0.00 0.00 61.00 62.60 2giw s PRO 30 Cb 0.00 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 2giw s PRO 30 CO 0.00 -1.42 1.98 1.21 -0.33 0.00 0.00 177.00 178.44 2giw s ASN 31 N -1.70 5.06 0.11 2.53 3.84 -1.26 -4.64 114.94 118.88 2giw s ASN 31 Ca 0.77 0.05 -0.22 0.00 0.21 0.00 0.00 52.86 53.67 2giw s ASN 31 Cb -0.31 -2.54 -0.05 0.00 -0.55 0.00 0.00 41.25 37.80 2giw s ASN 31 CO 0.37 -2.65 1.19 0.18 -2.79 0.00 0.00 177.10 173.41 2giw n LEU 32 N 13.84 -0.75 -3.73 3.21 4.77 -1.26 -4.80 117.00 128.28 2giw n LEU 32 Ca 0.30 1.36 -0.17 0.00 -0.03 0.00 0.00 56.01 57.47 2giw n LEU 32 Cb 0.50 -0.21 -0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2giw n LEU 32 CO 0.66 -1.08 -0.09 1.57 -1.33 0.00 0.00 177.39 177.13 2giw n HIS 33 N -4.73 -0.51 0.00 -1.77 -0.00 -1.26 -4.51 115.22 102.44 2giw n HIS 33 Ca 0.01 0.06 0.00 0.00 0.46 0.00 0.00 57.72 58.25 2giw n HIS 33 Cb 0.18 -1.05 0.00 0.00 -0.12 0.00 0.00 29.99 29.01 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 -1.43 2.27 1.30 1.57 0.00 -1.26 -4.99 105.19 102.66 2giw n GLY 34 Ca -0.06 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 0.70 -4.57 0.99 4.77 -1.26 -4.78 117.00 112.85 2giw n LEU 35 Ca 0.00 0.22 -0.40 0.00 -0.03 0.00 0.00 56.01 55.80 2giw n LEU 35 Cb 0.00 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 2giw n LEU 35 CO 0.00 -0.71 1.78 -0.36 -1.33 0.00 0.00 177.39 176.76 2giw s PHE 36 N -2.00 1.40 0.00 -1.77 0.40 -0.92 -0.41 117.98 114.67 2giw s PHE 36 Ca 0.00 0.96 0.00 0.00 -0.60 0.00 0.00 56.93 57.29 2giw s PHE 36 Cb 0.00 -3.90 0.00 0.00 0.51 0.00 0.00 43.02 39.63 2giw s PHE 36 CO 0.00 -2.89 0.00 0.41 0.70 0.00 0.00 175.22 173.44 2giw n GLY 37 N 5.75 0.07 3.58 4.36 0.00 -1.08 -5.02 105.19 112.85 2giw n GLY 37 Ca 0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.98 3.83 0.05 1.61 3.52 0.45 -5.00 118.95 122.43 2giw s ARG 38 Ca 0.00 -0.25 -0.31 0.00 -0.13 0.00 0.00 55.73 55.04 2giw s ARG 38 Cb 0.00 -3.71 -0.06 0.00 -1.56 0.00 0.00 34.95 29.62 2giw s ARG 38 CO 0.00 -0.32 1.26 0.15 -0.81 0.00 0.00 175.30 175.58 2giw s LYS 39 N 1.93 4.38 0.00 5.12 3.01 -1.26 -3.80 119.74 129.12 2giw s LYS 39 Ca 0.11 1.84 0.00 0.00 -1.01 0.00 0.00 55.97 56.91 2giw s LYS 39 Cb -0.16 -3.39 0.00 0.00 -1.01 0.00 0.00 37.83 33.27 2giw s LYS 39 CO 0.11 -0.36 0.00 -2.37 0.51 0.00 0.00 175.35 173.23 2giw n THR 40 N 4.13 0.00 -1.47 2.17 5.66 -0.02 -4.76 114.28 120.00 2giw n THR 40 Ca 0.10 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 61.04 2giw n THR 40 Cb 0.45 -1.06 -0.02 0.00 -1.55 0.00 0.00 70.33 68.15 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 0.63 0.00 1.09 0.00 -1.26 -4.33 105.19 106.31 2giw n GLY 41 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2giw n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2giw n GLN 42 N -2.44 0.00 -3.22 1.61 6.02 -1.26 -4.77 117.38 113.32 2giw n GLN 42 Ca -0.06 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.71 2giw n GLN 42 Cb 0.31 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.59 2giw n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2giw n ALA 43 N -3.00 -2.66 -1.79 -1.58 0.00 -1.26 -4.33 120.51 105.89 2giw n ALA 43 Ca 0.00 0.60 -0.35 0.00 0.00 0.00 0.00 53.44 53.69 2giw n ALA 43 Cb 0.00 -2.67 -0.05 0.00 0.00 0.00 0.00 19.45 16.72 2giw n ALA 43 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2giw n PRO 44 N -0.63 1.70 0.00 0.00 -0.04 -1.26 -2.29 135.00 132.49 2giw n PRO 44 Ca -0.02 -2.32 0.00 0.00 -0.04 0.00 0.00 63.50 61.12 2giw n PRO 44 Cb 0.57 -3.44 0.00 0.00 -0.04 0.00 0.00 33.50 30.60 2giw n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2giw n GLY 45 N 5.31 -2.21 0.10 0.55 0.00 -1.26 -4.98 105.19 102.68 2giw n GLY 45 Ca 0.47 0.72 -0.18 0.00 0.00 0.00 0.00 46.02 47.03 2giw n GLY 45 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2giw h PHE 46 N 0.00 0.17 -0.28 1.61 3.57 -1.92 -3.50 116.94 116.58 2giw h PHE 46 Ca 0.00 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.38 2giw h PHE 46 Cb 0.00 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2giw h PHE 46 CO 0.00 1.28 0.00 -2.37 -2.23 0.00 0.00 178.31 174.99 2giw n THR 47 N -4.36 0.00 -3.92 4.41 5.66 -0.97 -5.04 114.28 110.06 2giw n THR 47 Ca -0.19 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.71 2giw n THR 47 Cb 0.67 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.43 2giw n THR 47 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2giw s TYR 48 N 0.00 0.33 0.41 1.09 1.13 -1.26 -5.04 117.35 114.02 2giw s TYR 48 Ca 0.00 -0.79 -0.25 0.00 -1.41 0.00 0.00 57.07 54.61 2giw s TYR 48 Cb 0.00 0.46 -0.10 0.00 -1.10 0.00 0.00 41.96 41.22 2giw s TYR 48 CO 0.00 -1.28 1.21 0.25 -2.51 0.00 0.00 175.55 173.22 2giw n THR 49 N -0.49 2.51 -0.31 -3.49 -2.24 -1.26 -4.55 114.28 104.44 2giw n THR 49 Ca -0.04 -0.50 0.17 0.00 -2.27 0.00 0.00 64.05 61.41 2giw n THR 49 Cb 0.61 -1.47 0.35 0.00 -2.10 0.00 0.00 70.33 67.72 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 1.98 0.10 -0.97 3.42 5.19 -1.96 0.32 116.42 124.50 2giw h ASP 50 Ca -0.47 0.21 0.11 0.00 -0.62 0.00 0.00 57.03 56.26 2giw h ASP 50 Cb 1.30 0.25 -0.08 0.00 0.18 0.00 0.00 39.33 40.99 2giw h ASP 50 CO 0.59 -0.18 0.62 0.00 -3.12 0.00 0.00 179.24 177.15 2giw h ALA 51 N 1.82 1.57 0.02 3.45 0.00 -1.88 0.34 119.26 124.59 2giw h ALA 51 Ca 0.61 0.01 -0.29 0.00 0.00 0.00 0.00 54.91 55.24 2giw h ALA 51 Cb 1.31 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 2giw h ALA 51 CO -0.67 0.21 -1.63 -0.97 0.00 0.00 0.00 179.25 176.20 2giw h ASN 52 N 0.96 0.07 -0.03 0.00 -0.00 -0.82 -3.36 115.58 112.41 2giw h ASN 52 Ca 0.46 -0.14 -0.13 0.00 -0.00 0.00 0.00 56.30 56.50 2giw h ASN 52 Cb 0.45 -0.02 -0.01 0.00 -0.00 0.00 0.00 38.32 38.74 2giw h ASN 52 CO -0.23 1.12 -0.39 0.50 -0.00 0.00 0.00 177.43 178.44 2giw h LYS 53 N 0.01 0.53 0.00 6.67 3.64 -0.24 -2.86 116.57 124.33 2giw h LYS 53 Ca -0.26 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 58.84 2giw h LYS 53 Cb 1.98 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.80 2giw h LYS 53 CO 0.09 0.84 -0.06 -0.97 -2.27 0.00 0.00 179.45 177.08 2giw h ASN 54 N 0.44 0.00 0.21 4.20 -1.24 -0.49 -3.34 115.58 115.36 2giw h ASN 54 Ca 0.04 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 2giw h ASN 54 Cb 0.88 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.93 2giw h ASN 54 CO 0.07 0.06 -0.12 0.11 -1.29 0.00 0.00 177.43 176.26 2giw h LYS 55 N 0.00 -0.31 -3.88 6.67 1.79 -1.65 -3.47 116.57 115.72 2giw h LYS 55 Ca -0.00 0.02 -0.34 0.00 -2.18 0.00 0.00 60.65 58.15 2giw h LYS 55 Cb 0.31 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 2giw h LYS 55 CO 0.01 -0.20 -0.46 0.41 -1.08 0.00 0.00 179.45 178.12 2giw n GLY 56 N -1.24 -0.50 1.76 3.86 0.00 -1.25 -4.98 105.19 102.84 2giw n GLY 56 Ca -0.09 0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.82 0.00 -2.37 -0.61 -5.35 -1.26 -4.72 119.36 101.23 2giw n ILE 57 Ca -0.16 -0.42 -0.12 0.00 -0.27 0.00 0.00 62.75 61.78 2giw n ILE 57 Cb 0.63 -1.69 0.04 0.00 -1.74 0.00 0.00 39.64 36.88 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 -2.94 1.91 -1.57 7.28 -1.04 -1.26 -0.84 114.28 115.82 2giw n THR 58 Ca 0.08 -3.55 0.00 0.00 -2.04 0.00 0.00 64.05 58.54 2giw n THR 58 Cb 0.27 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 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 -0.64 0.00 -4.65 -1.42 5.03 -1.25 -2.63 117.44 111.88 2giw n TRP 59 Ca 0.26 0.00 -0.29 0.00 3.03 0.00 0.00 57.50 60.50 2giw n TRP 59 Cb 0.89 0.00 -0.09 0.00 -1.03 0.00 0.00 31.31 31.08 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 -1.02 2.02 0.00 -0.99 -2.85 -1.26 -2.17 119.74 113.46 2giw s LYS 60 Ca 0.00 -2.21 0.00 0.00 -1.00 0.00 0.00 55.97 52.76 2giw s LYS 60 Cb 0.00 -1.42 0.00 0.00 -2.06 0.00 0.00 37.83 34.35 2giw s LYS 60 CO 0.00 -0.23 0.38 -0.85 0.10 0.00 0.00 175.35 174.75 2giw n GLU 61 N -1.05 0.60 -0.02 1.78 0.28 -1.26 -1.08 120.64 119.89 2giw n GLU 61 Ca -0.10 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.84 2giw n GLU 61 Cb 0.67 -1.28 -0.02 0.00 1.43 0.00 0.00 31.44 32.24 2giw n GLU 61 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2giw n GLU 62 N 0.32 0.14 -0.02 3.44 0.28 -1.26 -4.60 120.64 118.94 2giw n GLU 62 Ca 0.00 0.06 -0.13 0.00 -0.16 0.00 0.00 57.16 56.93 2giw n GLU 62 Cb 0.19 -0.74 -0.01 0.00 1.43 0.00 0.00 31.44 32.31 2giw n GLU 62 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 2giw h THR 63 N -0.24 1.30 -0.29 3.84 1.35 -1.66 -2.17 112.91 115.03 2giw h THR 63 Ca -0.13 -1.87 0.00 0.00 -0.55 0.00 0.00 66.41 63.87 2giw h THR 63 Cb 0.90 1.83 -0.01 0.00 -1.73 0.00 0.00 68.15 69.14 2giw h THR 63 CO -0.08 0.59 0.19 -0.07 -0.25 0.00 0.00 175.52 175.91 2giw h LEU 64 N 0.51 0.33 -0.12 3.87 4.07 -1.42 -0.54 115.31 122.01 2giw h LEU 64 Ca -0.01 -0.01 0.05 0.00 0.08 0.00 0.00 57.88 57.99 2giw h LEU 64 Cb 1.23 -0.08 -0.06 0.00 1.08 0.00 0.00 40.66 42.83 2giw h LEU 64 CO 0.13 0.24 -0.26 0.24 -1.08 0.00 0.00 178.44 177.71 2giw h MET 65 N 0.40 -0.32 0.17 1.13 2.86 -1.74 0.24 114.93 117.67 2giw h MET 65 Ca 0.11 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 2giw h MET 65 Cb -0.04 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2giw h MET 65 CO -0.02 -0.21 -0.08 1.49 1.06 0.00 0.00 176.91 179.14 2giw h GLU 66 N -0.33 -0.22 0.12 1.72 4.57 -1.24 -0.78 114.58 118.42 2giw h GLU 66 Ca 0.10 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 2giw h GLU 66 Cb 0.47 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 2giw h GLU 66 CO -0.31 -0.10 -0.06 -0.92 -1.18 0.00 0.00 179.01 176.44 2giw h TYR 67 N -0.29 -0.16 -0.20 0.92 3.20 -0.91 -0.54 116.97 119.00 2giw h TYR 67 Ca -0.02 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.77 2giw h TYR 67 Cb 0.23 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 2giw h TYR 67 CO -0.05 -0.07 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.13 2giw h LEU 68 N -0.19 0.33 0.14 2.82 -0.00 -0.93 0.21 115.31 117.69 2giw h LEU 68 Ca -0.02 -0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.77 2giw h LEU 68 Cb 0.15 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 40.72 2giw h LEU 68 CO 0.03 0.54 -0.07 -0.08 -0.00 0.00 0.00 178.44 178.86 2giw h GLU 69 N 0.31 -0.18 -2.42 1.13 4.81 -0.83 -3.40 114.58 114.00 2giw h GLU 69 Ca 0.05 0.01 -0.52 0.00 -0.13 0.00 0.00 59.36 58.77 2giw h GLU 69 Cb 0.53 0.04 -0.37 0.00 0.63 0.00 0.00 28.75 29.58 2giw h GLU 69 CO 0.03 -0.06 -0.81 0.54 -0.73 0.00 0.00 179.01 177.99 2giw s ASN 70 N -5.09 2.49 -0.06 1.04 4.22 -0.24 -4.47 114.94 112.84 2giw s ASN 70 Ca -0.14 -2.01 -0.26 0.00 -2.14 0.00 0.00 52.86 48.31 2giw s ASN 70 Cb 0.05 -0.14 -0.22 0.00 1.28 0.00 0.00 41.25 42.22 2giw s ASN 70 CO 0.65 -0.30 1.06 1.55 -2.04 0.00 0.00 177.10 178.02 2giw h PRO 71 N 7.05 -0.02 0.00 3.55 0.13 -0.84 0.20 132.00 142.07 2giw h PRO 71 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2giw h PRO 71 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2giw h PRO 71 CO 0.25 0.63 0.00 1.63 -0.23 0.00 0.00 178.00 180.28 2giw n LYS 72 N -4.78 0.70 -0.10 0.86 5.02 -1.26 -1.19 118.16 117.40 2giw n LYS 72 Ca -0.09 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 55.99 2giw n LYS 72 Cb 0.33 -1.41 -0.07 0.00 -0.02 0.00 0.00 35.03 33.85 2giw n LYS 72 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2giw n LYS 73 N -0.91 0.46 -0.28 1.97 3.00 -1.15 -4.32 118.16 116.93 2giw n LYS 73 Ca 0.14 0.20 0.09 0.00 -0.00 0.00 0.00 58.31 58.74 2giw n LYS 73 Cb 0.06 -1.28 0.24 0.00 0.00 0.00 0.00 35.03 34.05 2giw n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 2giw h TYR 74 N -0.80 0.51 -3.34 5.64 3.20 -0.83 -3.39 116.97 117.97 2giw h TYR 74 Ca -0.48 0.04 -0.64 0.00 3.14 0.00 0.00 58.73 60.80 2giw h TYR 74 Cb 1.39 -0.10 -0.33 0.00 1.54 0.00 0.00 36.73 39.22 2giw h TYR 74 CO -0.12 -0.03 -0.86 0.42 -1.64 0.00 0.00 178.16 175.93 2giw s ILE 75 N -5.96 1.82 -1.20 1.81 1.01 -0.34 -5.06 121.20 113.27 2giw s ILE 75 Ca -0.12 -0.87 -0.22 0.00 0.00 0.00 0.00 60.65 59.44 2giw s ILE 75 Cb 0.23 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 41.05 2giw s ILE 75 CO 0.77 0.51 1.89 -2.16 0.00 0.00 0.00 174.94 175.95 2giw s PRO 76 N 0.51 2.81 0.00 2.79 0.04 -1.26 -3.78 135.00 136.11 2giw s PRO 76 Ca -0.16 -1.32 0.00 0.00 0.04 0.00 0.00 61.00 59.56 2giw s PRO 76 Cb -0.17 -5.30 0.00 0.00 0.04 0.00 0.00 34.50 29.07 2giw s PRO 76 CO 0.06 -3.61 0.00 0.41 0.04 0.00 0.00 177.00 173.90 2giw n GLY 77 N 5.75 0.85 3.60 0.56 0.00 -1.26 -4.82 105.19 109.87 2giw n GLY 77 Ca 0.45 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.82 2.17 0.45 2.61 -1.32 -1.25 -4.71 115.64 110.76 2giw s THR 78 Ca 0.00 0.05 0.14 0.00 -1.21 0.00 0.00 61.69 60.67 2giw s THR 78 Cb 0.00 -2.18 0.19 0.00 -1.51 0.00 0.00 72.50 69.01 2giw s THR 78 CO 0.00 -0.07 2.01 0.50 -2.21 0.00 0.00 174.62 174.85 2giw h LYS 79 N -2.15 0.04 -7.02 7.08 1.63 -1.98 -3.45 116.57 110.73 2giw h LYS 79 Ca -0.52 -0.01 -0.51 0.00 -0.85 0.00 0.00 60.65 58.76 2giw h LYS 79 Cb 1.30 -0.01 0.08 0.00 -0.60 0.00 0.00 32.23 33.00 2giw h LYS 79 CO 0.48 0.18 0.50 1.41 -3.45 0.00 0.00 179.45 178.57 2giw s MET 80 N -4.73 3.62 -0.36 1.90 1.75 -1.26 -5.02 119.30 115.19 2giw s MET 80 Ca -0.04 1.85 0.01 0.00 -1.25 0.00 0.00 55.69 56.25 2giw s MET 80 Cb 0.16 -2.35 0.11 0.00 2.84 0.00 0.00 34.83 35.59 2giw s MET 80 CO 0.70 -0.69 0.15 0.42 -0.65 0.00 0.00 175.02 174.95 2giw s ILE 81 N -1.52 1.24 -0.48 10.11 -1.09 -1.26 -4.86 121.20 123.34 2giw s ILE 81 Ca 0.66 -1.96 0.06 0.00 -2.23 0.00 0.00 60.65 57.18 2giw s ILE 81 Cb -0.30 -1.91 0.18 0.00 -1.58 0.00 0.00 42.46 38.85 2giw s ILE 81 CO 0.36 -0.75 0.62 0.12 -1.23 0.00 0.00 174.94 174.06 2giw s PHE 82 N 1.04 -0.95 -1.18 3.97 5.36 -1.26 -5.07 117.98 119.89 2giw s PHE 82 Ca 0.13 -0.95 -0.18 0.00 -0.96 0.00 0.00 56.93 54.97 2giw s PHE 82 Cb -0.20 0.01 -0.04 0.00 -0.34 0.00 0.00 43.02 42.45 2giw s PHE 82 CO -0.13 -1.16 2.08 0.00 -1.46 0.00 0.00 175.22 174.55 2giw n ALA 83 N 3.03 4.50 0.00 11.12 0.00 -1.26 -4.54 120.51 133.35 2giw n ALA 83 Ca 0.20 -3.64 0.00 0.00 0.00 0.00 0.00 53.44 50.00 2giw n ALA 83 Cb 0.54 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.41 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 4.37 1.85 0.55 0.00 0.00 -1.26 -5.05 105.19 105.65 2giw n GLY 84 Ca 0.51 -1.87 -0.03 0.00 0.00 0.00 0.00 46.02 44.63 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 1.71 0.82 0.21 -0.61 3.06 -1.26 -5.07 119.36 118.22 2giw n ILE 85 Ca 0.00 0.26 0.00 0.00 -2.50 0.00 0.00 62.75 60.51 2giw n ILE 85 Cb 0.00 -1.68 0.00 0.00 0.54 0.00 0.00 39.64 38.50 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 -3.38 0.00 0.00 9.51 5.02 -1.26 -4.94 118.16 123.11 2giw n LYS 86 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2giw n LYS 86 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.16 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 -3.35 0.00 0.00 1.97 4.81 -1.26 -5.03 118.16 115.30 2giw n LYS 87 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2giw n LYS 87 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2giw n LYS 87 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2giw n LYS 88 N -2.18 0.00 -0.06 1.64 2.85 -1.26 -4.98 118.16 114.18 2giw n LYS 88 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 2giw n LYS 88 Cb 0.00 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.31 2giw n LYS 88 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 2giw h THR 89 N 0.00 0.07 -0.24 0.58 1.35 -2.00 0.13 112.91 112.80 2giw h THR 89 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.83 2giw h THR 89 Cb 0.00 0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 66.48 2giw h THR 89 CO 0.00 0.00 0.01 -0.33 -0.25 0.00 0.00 175.52 174.95 2giw h GLU 90 N -0.47 0.36 0.00 4.72 5.08 -1.95 0.13 114.58 122.45 2giw h GLU 90 Ca 0.08 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2giw h GLU 90 Cb 0.63 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2giw h GLU 90 CO -0.49 0.38 0.00 -2.13 -1.00 0.00 0.00 179.01 175.77 2giw n ARG 91 N -4.35 0.07 -0.10 2.33 0.00 -0.03 -0.99 116.66 113.60 2giw n ARG 91 Ca 0.00 0.26 -0.22 0.00 -0.00 0.00 0.00 57.85 57.90 2giw n ARG 91 Cb 0.19 -1.50 -0.07 0.00 0.00 0.00 0.00 32.46 31.08 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 -1.39 0.43 0.01 -0.14 4.07 -0.29 -4.60 120.64 118.73 2giw n GLU 92 Ca 0.04 0.19 -0.12 0.00 -0.06 0.00 0.00 57.16 57.20 2giw n GLU 92 Cb 0.10 -1.23 -0.08 0.00 -0.06 0.00 0.00 31.44 30.17 2giw n GLU 92 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 2giw h ASP 93 N -0.74 0.02 -0.39 4.31 1.82 -0.46 -0.55 116.42 120.43 2giw h ASP 93 Ca -0.52 -0.24 0.05 0.00 -0.39 0.00 0.00 57.03 55.94 2giw h ASP 93 Cb 1.45 -0.01 -0.05 0.00 0.68 0.00 0.00 39.33 41.41 2giw h ASP 93 CO -0.31 0.26 0.11 -0.07 -1.61 0.00 0.00 179.24 177.61 2giw h LEU 94 N -0.21 0.07 0.00 2.28 -0.00 -1.31 0.53 115.31 116.68 2giw h LEU 94 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 2giw h LEU 94 Cb 0.24 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.96 2giw h LEU 94 CO 0.00 0.08 0.00 -0.38 -0.00 0.00 0.00 178.44 178.14 2giw n ILE 95 N -5.06 0.00 -0.10 1.22 -0.00 -1.11 -1.08 119.36 113.23 2giw n ILE 95 Ca 0.02 0.00 -0.18 0.00 -0.00 0.00 0.00 62.75 62.60 2giw n ILE 95 Cb 0.16 -0.42 -0.08 0.00 -0.00 0.00 0.00 39.64 39.30 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 -0.91 0.78 -0.12 -1.39 0.00 -0.10 -3.87 120.51 114.90 2giw n ALA 96 Ca 0.19 -0.61 -0.11 0.00 0.00 0.00 0.00 53.44 52.91 2giw n ALA 96 Cb 0.09 -0.24 -0.06 0.00 0.00 0.00 0.00 19.45 19.24 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 -1.00 -1.35 0.00 0.00 3.20 -0.76 -0.99 116.97 116.08 2giw h TYR 97 Ca -0.29 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.64 2giw h TYR 97 Cb 1.13 0.64 -0.00 0.00 1.54 0.00 0.00 36.73 40.04 2giw h TYR 97 CO -0.06 -0.46 -0.02 -0.07 -1.64 0.00 0.00 178.16 175.91 2giw h LEU 98 N -0.36 0.00 -1.43 2.82 3.38 -1.31 0.17 115.31 118.59 2giw h LEU 98 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2giw h LEU 98 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2giw h LEU 98 CO -0.57 0.02 0.00 0.50 0.09 0.00 0.00 178.44 178.48 2giw h LYS 99 N 0.00 0.00 0.00 1.13 3.64 -1.28 -1.45 116.57 118.61 2giw h LYS 99 Ca -0.00 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 2giw h LYS 99 Cb 0.10 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 2giw h LYS 99 CO 0.00 0.00 -1.77 0.36 -2.27 0.00 0.00 179.45 175.77 2giw n LYS 100 N -2.75 1.36 -0.01 1.90 2.85 0.28 -4.60 118.16 117.19 2giw n LYS 100 Ca 0.00 -0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 2giw n LYS 100 Cb 0.23 -1.32 0.30 0.00 -0.65 0.00 0.00 35.03 33.58 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 0.86 1.39 0.00 0.58 0.00 -0.27 0.10 119.26 121.92 2giw h ALA 101 Ca -0.21 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2giw h ALA 101 Cb 1.33 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2giw h ALA 101 CO 0.01 0.43 0.10 0.00 0.00 0.00 0.00 179.25 179.80 2giw h THR 102 N 0.54 0.00 -0.62 0.00 1.03 -1.53 -3.19 112.91 109.13 2giw h THR 102 Ca 0.12 0.00 -0.32 0.00 -0.01 0.00 0.00 66.41 66.20 2giw h THR 102 Cb 0.28 0.52 -0.22 0.00 -1.07 0.00 0.00 68.15 67.65 2giw h THR 102 CO 0.00 0.00 -0.68 -3.20 -0.01 0.00 0.00 175.52 171.63 2giw n ASN 103 N -2.37 -1.64 0.00 0.00 5.15 0.20 -4.40 115.26 112.19 2giw n ASN 103 Ca -0.02 -3.31 0.00 0.00 -0.60 0.00 0.00 54.58 50.65 2giw n ASN 103 Cb 0.14 1.11 0.00 0.00 -0.53 0.00 0.00 39.78 40.50 2giw n ASN 103 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82