#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2giw s ASP 2 N 0.00 5.68 0.19 1.61 1.01 -1.26 -4.67 116.67 119.22 2giw s ASP 2 Ca 0.00 -0.02 -0.10 0.00 0.71 0.00 0.00 52.55 53.14 2giw s ASP 2 Cb 0.00 -1.55 0.10 0.00 1.01 0.00 0.00 42.92 42.48 2giw s ASP 2 CO 0.00 0.11 1.71 1.62 0.21 0.00 0.00 175.17 178.82 2giw h VAL 3 N 2.20 1.25 0.34 -1.27 3.04 -1.85 0.25 116.25 120.21 2giw h VAL 3 Ca -0.47 -0.89 -0.02 0.00 -1.01 0.00 0.00 66.70 64.31 2giw h VAL 3 Cb 1.18 0.58 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 2giw h VAL 3 CO 0.66 0.34 -0.16 -0.33 -1.01 0.00 0.00 177.57 177.07 2giw h GLU 4 N 0.97 -0.44 -0.09 4.17 4.39 -1.95 0.49 114.58 122.12 2giw h GLU 4 Ca 0.21 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.94 2giw h GLU 4 Cb 0.32 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2giw h GLU 4 CO -0.00 -0.20 0.04 0.87 -1.16 0.00 0.00 179.01 178.56 2giw h LYS 5 N -0.61 0.10 0.09 2.33 1.79 -1.94 -2.83 116.57 115.50 2giw h LYS 5 Ca -0.05 -0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.44 2giw h LYS 5 Cb 0.45 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 31.03 2giw h LYS 5 CO 0.08 0.06 -0.36 0.78 -1.08 0.00 0.00 179.45 178.93 2giw h GLY 6 N 0.10 -0.69 1.16 3.86 0.00 -0.21 0.40 103.07 107.69 2giw h GLY 6 Ca 0.04 0.43 0.03 0.00 0.00 0.00 0.00 47.33 47.83 2giw h GLY 6 CO -0.02 -0.25 0.49 0.07 0.00 0.00 0.00 176.54 176.82 2giw h LYS 7 N -0.57 0.87 0.39 4.80 2.10 -0.93 0.16 116.57 123.38 2giw h LYS 7 Ca 0.04 -0.05 -0.02 0.00 -2.00 0.00 0.00 60.65 58.61 2giw h LYS 7 Cb 0.62 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 2giw h LYS 7 CO -0.23 0.58 -0.19 0.87 -2.00 0.00 0.00 179.45 178.48 2giw h LYS 8 N 0.90 -0.50 -0.26 0.07 1.79 -1.05 -0.78 116.57 116.74 2giw h LYS 8 Ca 0.29 0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.74 2giw h LYS 8 Cb 0.06 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 2giw h LYS 8 CO -0.08 -0.19 -0.05 0.82 -1.08 0.00 0.00 179.45 178.86 2giw h ILE 9 N -0.85 1.28 -0.09 1.86 2.04 -0.71 0.80 117.51 121.84 2giw h ILE 9 Ca -0.05 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 64.77 2giw h ILE 9 Cb 0.54 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 2giw h ILE 9 CO 0.09 0.33 -0.15 0.15 0.00 0.00 0.00 178.15 178.57 2giw h PHE 10 N 0.24 -0.46 -0.92 1.37 3.57 -0.75 -1.60 116.94 118.40 2giw h PHE 10 Ca 0.07 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.76 2giw h PHE 10 Cb 0.51 0.21 -0.10 0.00 2.79 0.00 0.00 35.95 39.36 2giw h PHE 10 CO 0.05 -0.14 0.50 0.28 -2.23 0.00 0.00 178.31 176.78 2giw h VAL 11 N -0.12 0.70 -0.69 1.41 2.07 -0.86 0.70 116.25 119.45 2giw h VAL 11 Ca 0.02 -0.23 0.11 0.00 0.82 0.00 0.00 66.70 67.41 2giw h VAL 11 Cb 0.17 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 29.87 2giw h VAL 11 CO -0.15 0.12 0.46 -0.61 0.02 0.00 0.00 177.57 177.41 2giw h GLN 12 N 0.67 0.51 0.00 1.57 -0.00 -0.06 -3.09 115.11 114.70 2giw h GLN 12 Ca 0.52 -0.03 -0.07 0.00 -0.00 0.00 0.00 58.65 59.06 2giw h GLN 12 Cb 0.78 -0.11 -0.16 0.00 0.00 0.00 0.00 27.48 27.99 2giw h GLN 12 CO -0.38 0.33 -0.72 0.36 0.00 0.00 0.00 178.83 178.42 2giw n LYS 13 N -4.48 0.00 0.00 1.69 -0.00 0.03 -4.88 118.16 110.51 2giw n LYS 13 Ca 0.12 -1.41 0.00 0.00 -0.00 0.00 0.00 58.31 57.02 2giw n LYS 13 Cb 0.39 -0.30 0.00 0.00 -0.00 0.00 0.00 35.03 35.12 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 2.25 -1.15 0.00 0.00 -1.52 0.33 119.26 119.17 2giw h ALA 15 Ca 0.00 0.01 0.37 0.00 0.00 0.00 0.00 54.91 55.29 2giw h ALA 15 Cb 0.28 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 17.92 2giw h ALA 15 CO 0.00 -0.51 0.71 0.37 0.00 0.00 0.00 179.25 179.82 2giw h GLN 16 N 0.36 0.20 0.00 0.00 4.15 -1.90 -1.21 115.11 116.72 2giw h GLN 16 Ca 0.44 -0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.70 2giw h GLN 16 Cb 1.14 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.76 2giw h GLN 16 CO -0.15 0.13 -1.92 0.00 -1.93 0.00 0.00 178.83 174.97 2giw s HIS 18 N -2.73 1.93 -1.43 0.00 3.76 -0.14 -4.09 115.29 112.60 2giw s HIS 18 Ca -0.07 -2.58 -0.10 0.00 -0.15 0.00 0.00 55.06 52.16 2giw s HIS 18 Cb 0.07 -1.61 0.06 0.00 1.11 0.00 0.00 32.58 32.21 2giw s HIS 18 CO 0.65 -0.74 2.36 0.25 -0.85 0.00 0.00 174.74 176.42 2giw n THR 19 N 2.83 4.27 -1.46 1.30 -2.24 -1.20 -4.06 114.28 113.70 2giw n THR 19 Ca 0.22 -3.52 -0.47 0.00 -2.27 0.00 0.00 64.05 58.01 2giw n THR 19 Cb 0.41 -2.44 -0.08 0.00 -2.10 0.00 0.00 70.33 66.12 2giw n THR 19 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2giw n VAL 20 N 3.57 0.09 -2.61 2.28 0.24 -1.26 -4.25 118.33 116.39 2giw n VAL 20 Ca 0.58 -0.30 -0.02 0.00 -2.04 0.00 0.00 64.34 62.55 2giw n VAL 20 Cb 0.31 -1.61 0.06 0.00 -1.47 0.00 0.00 33.84 31.13 2giw n VAL 20 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2giw n GLU 21 N 8.38 0.64 -3.96 7.34 2.13 -1.26 -5.04 120.64 128.87 2giw n GLU 21 Ca 0.45 -0.74 -0.30 0.00 0.66 0.00 0.00 57.16 57.24 2giw n GLU 21 Cb 0.24 0.15 0.01 0.00 0.27 0.00 0.00 31.44 32.11 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 -0.70 -0.52 0.00 5.31 2.85 -1.26 -4.25 118.16 119.59 2giw n LYS 22 Ca -0.11 -0.17 0.00 0.00 -1.05 0.00 0.00 58.31 56.98 2giw n LYS 22 Cb 0.70 -1.15 0.00 0.00 -0.65 0.00 0.00 35.03 33.92 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 -1.67 0.45 0.00 2.58 0.00 -1.26 -5.15 105.19 100.14 2giw n GLY 23 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 1.13 3.49 -0.02 0.00 -1.26 -5.12 105.19 103.41 2giw n GLY 24 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.90 0.59 0.00 1.61 2.36 -1.26 -5.06 119.74 118.88 2giw s LYS 25 Ca 0.00 1.03 0.00 0.00 -2.55 0.00 0.00 55.97 54.45 2giw s LYS 25 Cb 0.00 0.10 0.00 0.00 -1.05 0.00 0.00 37.83 36.88 2giw s LYS 25 CO 0.00 -0.15 0.00 0.72 1.55 0.00 0.00 175.35 177.47 2giw n HIS 26 N 4.15 -1.00 -0.98 4.03 8.25 -1.26 -4.08 115.22 124.33 2giw n HIS 26 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 2giw n HIS 26 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 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 -0.26 0.00 -1.74 -0.41 3.00 -1.26 -4.79 118.16 112.70 2giw n LYS 27 Ca 0.00 0.42 -0.08 0.00 -0.00 0.00 0.00 58.31 58.65 2giw n LYS 27 Cb 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 35.03 34.45 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 0.37 -0.22 0.00 3.15 -1.04 -1.26 -4.87 114.28 110.41 2giw n THR 28 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2giw n THR 28 Cb 0.00 -1.31 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 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 -1.44 3.16 3.84 3.41 0.00 -1.26 -4.80 105.19 108.10 2giw n GLY 29 Ca -0.09 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.86 3.91 0.01 1.61 0.04 -1.26 -4.28 135.00 133.17 2giw s PRO 30 Ca 0.00 0.94 -0.30 0.00 0.04 0.00 0.00 61.00 61.68 2giw s PRO 30 Cb 0.00 -2.13 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 2giw s PRO 30 CO 0.00 -0.30 2.01 0.09 0.04 0.00 0.00 177.00 178.84 2giw n ASN 31 N -1.69 4.07 -3.21 6.66 4.13 -1.26 -4.70 115.26 119.26 2giw n ASN 31 Ca 0.07 0.82 -0.29 0.00 1.68 0.00 0.00 54.58 56.86 2giw n ASN 31 Cb 0.54 -1.53 -0.02 0.00 -1.54 0.00 0.00 39.78 37.23 2giw n ASN 31 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2giw n LEU 32 N 8.02 6.51 0.09 3.41 4.77 -1.26 -4.77 117.00 133.76 2giw n LEU 32 Ca 0.21 -3.50 -0.13 0.00 -0.03 0.00 0.00 56.01 52.56 2giw n LEU 32 Cb 0.41 -1.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.15 2giw n LEU 32 CO 0.68 1.23 0.62 0.45 -1.33 0.00 0.00 177.39 179.04 2giw h HIS 33 N 5.74 -1.03 -0.41 -1.77 3.86 -1.92 -3.38 115.15 116.24 2giw h HIS 33 Ca 0.65 0.03 -0.27 0.00 -1.16 0.00 0.00 60.37 59.62 2giw h HIS 33 Cb 0.22 0.44 -0.26 0.00 1.06 0.00 0.00 27.41 28.87 2giw h HIS 33 CO 1.93 -0.47 -0.72 0.41 0.86 0.00 0.00 177.93 179.94 2giw n GLY 34 N -1.44 1.48 0.31 2.45 0.00 -1.26 -4.31 105.19 102.43 2giw n GLY 34 Ca -0.06 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.33 2giw n GLY 34 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2giw h LEU 35 N 2.35 -0.88 -8.14 0.99 3.38 -1.82 -3.16 115.31 108.02 2giw h LEU 35 Ca -0.22 0.24 -0.50 0.00 0.09 0.00 0.00 57.88 57.49 2giw h LEU 35 Cb 1.25 0.53 -0.08 0.00 0.09 0.00 0.00 40.66 42.45 2giw h LEU 35 CO 0.16 -0.27 1.26 -0.36 0.09 0.00 0.00 178.44 179.31 2giw s PHE 36 N -6.17 2.30 0.00 1.13 0.40 -1.23 -0.36 117.98 114.06 2giw s PHE 36 Ca -0.14 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 55.82 2giw s PHE 36 Cb 0.21 -4.48 0.00 0.00 0.51 0.00 0.00 43.02 39.25 2giw s PHE 36 CO 0.74 -1.87 0.00 0.41 0.70 0.00 0.00 175.22 175.20 2giw n GLY 37 N 6.86 1.61 3.55 4.36 0.00 -0.78 -5.01 105.19 115.77 2giw n GLY 37 Ca 0.36 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.01 2giw n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2giw s ARG 38 N 0.00 2.79 -0.79 1.61 6.06 0.52 -4.90 118.95 124.24 2giw s ARG 38 Ca 0.00 0.09 -0.26 0.00 -2.50 0.00 0.00 55.73 53.06 2giw s ARG 38 Cb 0.00 -4.61 -0.17 0.00 0.06 0.00 0.00 34.95 30.23 2giw s ARG 38 CO 0.00 -2.75 2.51 0.36 -2.50 0.00 0.00 175.30 172.91 2giw n LYS 39 N 9.11 0.45 -1.52 5.12 2.85 -1.26 -3.54 118.16 129.37 2giw n LYS 39 Ca 0.23 -0.09 -0.29 0.00 -1.05 0.00 0.00 58.31 57.12 2giw n LYS 39 Cb 0.50 -2.41 0.13 0.00 -0.65 0.00 0.00 35.03 32.61 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 9.86 2.12 0.00 0.58 2.01 0.20 -4.41 115.64 126.00 2giw s THR 40 Ca 1.17 0.04 0.00 0.00 0.31 0.00 0.00 61.69 63.21 2giw s THR 40 Cb -0.69 -2.78 0.00 0.00 0.01 0.00 0.00 72.50 69.04 2giw s THR 40 CO 0.37 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.86 2giw n GLY 41 N -2.15 0.51 1.15 4.40 0.00 -1.26 -3.89 105.19 103.95 2giw n GLY 41 Ca 0.06 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.98 0.00 -2.16 1.61 0.00 -1.26 -4.77 117.38 109.82 2giw n GLN 42 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.00 56.98 2giw n GLN 42 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.69 2giw n GLN 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2giw n ALA 43 N -1.86 -2.76 0.24 1.69 0.00 -1.26 -4.75 120.51 111.80 2giw n ALA 43 Ca 0.00 0.98 0.13 0.00 0.00 0.00 0.00 53.44 54.55 2giw n ALA 43 Cb 0.00 -2.16 0.40 0.00 0.00 0.00 0.00 19.45 17.69 2giw n ALA 43 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2giw h PRO 44 N 3.24 0.00 0.00 0.00 0.13 -2.02 -3.37 132.00 129.98 2giw h PRO 44 Ca -0.18 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.55 2giw h PRO 44 Cb 0.40 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.46 2giw h PRO 44 CO 0.00 0.08 -2.39 0.41 -0.23 0.00 0.00 178.00 175.88 2giw n GLY 45 N 0.55 -0.39 3.20 1.56 0.00 -1.26 -5.03 105.19 103.83 2giw n GLY 45 Ca 0.02 -0.13 -0.13 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 -2.46 -0.16 0.35 1.61 2.19 -1.26 -5.07 117.98 113.18 2giw s PHE 46 Ca -0.34 0.28 0.03 0.00 0.33 0.00 0.00 56.93 57.23 2giw s PHE 46 Cb 0.12 0.07 -0.01 0.00 -1.31 0.00 0.00 43.02 41.89 2giw s PHE 46 CO 0.46 -0.33 0.11 -2.37 1.83 0.00 0.00 175.22 174.93 2giw n THR 47 N 1.59 0.00 -4.22 0.12 5.66 -1.26 -4.67 114.28 111.50 2giw n THR 47 Ca -0.20 -2.00 -0.14 0.00 -3.05 0.00 0.00 64.05 58.65 2giw n THR 47 Cb 0.56 0.69 -0.06 0.00 -1.55 0.00 0.00 70.33 69.98 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 -0.80 -0.51 -1.69 1.09 0.18 -1.26 -4.96 117.16 109.22 2giw n TYR 48 Ca -0.06 -2.00 -0.38 0.00 1.88 0.00 0.00 57.90 57.34 2giw n TYR 48 Cb 0.52 0.19 0.05 0.00 -0.38 0.00 0.00 39.34 39.71 2giw n TYR 48 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 2giw n THR 49 N -0.47 3.77 -0.34 -3.48 -2.24 -1.26 -4.59 114.28 105.66 2giw n THR 49 Ca 0.05 -0.50 0.16 0.00 -2.27 0.00 0.00 64.05 61.49 2giw n THR 49 Cb 0.43 -1.42 0.37 0.00 -2.10 0.00 0.00 70.33 67.61 2giw n THR 49 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2giw h ASP 50 N 1.03 0.66 -0.83 3.42 3.58 -1.95 0.15 116.42 122.48 2giw h ASP 50 Ca -0.49 0.13 0.15 0.00 0.42 0.00 0.00 57.03 57.24 2giw h ASP 50 Cb 1.33 0.03 -0.06 0.00 1.72 0.00 0.00 39.33 42.35 2giw h ASP 50 CO 0.55 0.12 0.54 0.00 -2.88 0.00 0.00 179.24 177.57 2giw h ALA 51 N 1.72 2.01 0.09 -0.78 0.00 -1.91 0.36 119.26 120.75 2giw h ALA 51 Ca 0.63 0.01 -0.24 0.00 0.00 0.00 0.00 54.91 55.30 2giw h ALA 51 Cb 1.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2giw h ALA 51 CO -0.47 -0.24 -1.25 -0.91 0.00 0.00 0.00 179.25 176.39 2giw h ASN 52 N 0.53 0.30 0.03 0.00 4.21 -1.23 -3.38 115.58 116.04 2giw h ASN 52 Ca 0.41 -0.83 -0.00 0.00 1.21 0.00 0.00 56.30 57.09 2giw h ASN 52 Cb 0.83 -0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 37.93 2giw h ASN 52 CO -0.16 1.54 -0.02 0.50 -1.29 0.00 0.00 177.43 178.00 2giw h LYS 53 N -0.45 0.00 0.00 0.81 3.64 0.47 -0.06 116.57 120.97 2giw h LYS 53 Ca -0.28 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.04 2giw h LYS 53 Cb 1.63 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.44 2giw h LYS 53 CO 0.02 0.02 -0.28 -0.97 -2.27 0.00 0.00 179.45 175.97 2giw h ASN 54 N 0.00 0.00 -0.10 4.20 -0.73 -0.55 -3.38 115.58 115.02 2giw h ASN 54 Ca -0.00 0.00 0.04 0.00 1.87 0.00 0.00 56.30 58.21 2giw h ASN 54 Cb 0.04 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.58 2giw h ASN 54 CO 0.00 0.28 -0.23 0.11 -0.37 0.00 0.00 177.43 177.23 2giw h LYS 55 N 0.00 -0.29 -3.25 6.67 1.79 -1.17 -3.47 116.57 116.85 2giw h LYS 55 Ca -0.00 0.02 -0.33 0.00 -2.18 0.00 0.00 60.65 58.16 2giw h LYS 55 Cb 1.01 0.07 0.03 0.00 -1.58 0.00 0.00 32.23 31.76 2giw h LYS 55 CO 0.04 -0.19 -0.47 0.41 -1.08 0.00 0.00 179.45 178.16 2giw n GLY 56 N -1.36 -0.29 0.00 3.86 0.00 -1.25 -4.99 105.19 101.16 2giw n GLY 56 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.19 0.00 -2.12 -0.61 -5.35 -1.26 -4.77 119.36 101.06 2giw n ILE 57 Ca -0.12 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 2giw n ILE 57 Cb 0.61 -0.97 -0.00 0.00 -1.74 0.00 0.00 39.64 37.54 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 0.00 -3.36 7.28 -1.04 -1.26 -0.63 114.28 115.27 2giw n THR 58 Ca 0.00 -0.25 -0.07 0.00 -2.04 0.00 0.00 64.05 61.69 2giw n THR 58 Cb 0.00 0.52 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 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 0.12 -0.31 -2.30 -1.42 7.02 -1.23 -1.87 117.44 117.44 2giw n TRP 59 Ca -0.02 0.07 -0.26 0.00 -1.02 0.00 0.00 57.50 56.27 2giw n TRP 59 Cb 0.77 -0.52 0.13 0.00 -2.42 0.00 0.00 31.31 29.26 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 -4.26 1.41 0.00 -0.99 0.00 -1.26 -3.46 119.74 111.18 2giw s LYS 60 Ca 0.06 -0.73 0.00 0.00 0.00 0.00 0.00 55.97 55.29 2giw s LYS 60 Cb -0.03 -2.14 0.00 0.00 0.00 0.00 0.00 37.83 35.66 2giw s LYS 60 CO 0.18 -1.74 1.41 -0.85 0.00 0.00 0.00 175.35 174.35 2giw n GLU 61 N -3.16 0.71 0.12 1.78 0.28 -1.26 -2.09 120.64 117.03 2giw n GLU 61 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 2giw n GLU 61 Cb 0.60 -1.14 0.00 0.00 1.43 0.00 0.00 31.44 32.33 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 1.62 0.00 -0.14 3.44 1.02 -1.26 -4.73 120.64 120.59 2giw n GLU 62 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 2giw n GLU 62 Cb 0.36 -0.02 0.16 0.00 -0.02 0.00 0.00 31.44 31.91 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 1.24 -0.29 2.62 1.35 -1.91 -0.69 112.91 115.23 2giw h THR 63 Ca 0.00 -0.93 0.04 0.00 -0.55 0.00 0.00 66.41 64.97 2giw h THR 63 Cb 0.00 0.75 -0.03 0.00 -1.73 0.00 0.00 68.15 67.13 2giw h THR 63 CO 0.00 0.34 0.08 -0.07 -0.25 0.00 0.00 175.52 175.62 2giw h LEU 64 N 0.81 0.06 -0.28 3.87 4.07 -1.74 -0.60 115.31 121.51 2giw h LEU 64 Ca 0.17 0.04 -0.03 0.00 0.08 0.00 0.00 57.88 58.14 2giw h LEU 64 Cb 0.38 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 2giw h LEU 64 CO 0.01 0.07 0.06 -0.03 -1.08 0.00 0.00 178.44 177.47 2giw h MET 65 N 0.20 0.45 -0.08 1.13 4.05 -1.51 -0.04 114.93 119.12 2giw h MET 65 Ca 0.13 -0.11 0.03 0.00 -0.28 0.00 0.00 59.70 59.47 2giw h MET 65 Cb 0.12 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.83 2giw h MET 65 CO -0.15 0.54 -0.11 1.49 0.23 0.00 0.00 176.91 178.90 2giw h GLU 66 N 0.28 -0.15 0.58 0.39 4.81 -1.10 0.24 114.58 119.63 2giw h GLU 66 Ca 0.09 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2giw h GLU 66 Cb 0.30 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2giw h GLU 66 CO 0.00 -0.10 -0.40 -0.92 -0.73 0.00 0.00 179.01 176.86 2giw h TYR 67 N -0.15 -1.06 0.00 0.92 3.20 -0.92 -0.67 116.97 118.28 2giw h TYR 67 Ca 0.07 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 2giw h TYR 67 Cb 0.25 0.39 -0.00 0.00 1.54 0.00 0.00 36.73 38.91 2giw h TYR 67 CO -0.21 -0.59 -0.12 -0.07 -1.64 0.00 0.00 178.16 175.53 2giw h LEU 68 N -0.94 0.00 -0.07 2.82 -0.00 -0.91 0.84 115.31 117.05 2giw h LEU 68 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.80 2giw h LEU 68 Cb 0.78 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.44 2giw h LEU 68 CO 0.04 0.12 0.01 -0.08 -0.00 0.00 0.00 178.44 178.52 2giw h GLU 69 N 0.00 0.12 -0.92 1.13 4.81 -0.67 -3.40 114.58 115.64 2giw h GLU 69 Ca -0.00 -0.03 -0.36 0.00 -0.13 0.00 0.00 59.36 58.83 2giw h GLU 69 Cb 0.22 -0.01 -0.26 0.00 0.63 0.00 0.00 28.75 29.33 2giw h GLU 69 CO 0.01 0.36 -0.78 -1.71 -0.73 0.00 0.00 179.01 176.16 2giw n ASN 70 N -4.87 -1.16 -0.05 1.04 2.85 -0.28 -4.46 115.26 108.33 2giw n ASN 70 Ca -0.07 -3.23 -0.12 0.00 -0.11 0.00 0.00 54.58 51.06 2giw n ASN 70 Cb 0.17 0.73 -0.07 0.00 1.24 0.00 0.00 39.78 41.86 2giw n ASN 70 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2giw h PRO 71 N 3.45 0.27 0.00 1.20 0.13 -1.10 0.41 132.00 136.36 2giw h PRO 71 Ca -0.03 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2giw h PRO 71 Cb 1.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2giw h PRO 71 CO 0.34 0.56 0.00 1.63 -0.23 0.00 0.00 178.00 180.30 2giw n LYS 72 N -4.71 0.08 -0.11 0.86 5.02 -1.26 -1.31 118.16 116.73 2giw n LYS 72 Ca -0.06 0.52 -0.25 0.00 -2.02 0.00 0.00 58.31 56.51 2giw n LYS 72 Cb 0.26 -1.72 -0.11 0.00 -0.02 0.00 0.00 35.03 33.43 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 -1.88 0.61 -0.30 1.97 4.81 -0.06 -4.16 118.16 119.15 2giw n LYS 73 Ca -0.00 0.34 0.08 0.00 -0.87 0.00 0.00 58.31 57.86 2giw n LYS 73 Cb 0.05 -1.59 0.24 0.00 0.02 0.00 0.00 35.03 33.75 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 -0.74 0.75 -3.16 5.64 3.20 -0.68 -3.39 116.97 118.59 2giw h TYR 74 Ca -0.56 0.04 -0.56 0.00 3.14 0.00 0.00 58.73 60.78 2giw h TYR 74 Cb 1.61 -0.20 -0.36 0.00 1.54 0.00 0.00 36.73 39.32 2giw h TYR 74 CO -0.00 0.14 -0.82 0.42 -1.64 0.00 0.00 178.16 176.27 2giw s ILE 75 N -5.96 1.30 -1.20 1.81 1.01 -0.42 -5.07 121.20 112.67 2giw s ILE 75 Ca -0.12 -0.46 -0.21 0.00 0.00 0.00 0.00 60.65 59.86 2giw s ILE 75 Cb 0.22 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 2giw s ILE 75 CO 0.78 0.41 1.88 -0.81 0.00 0.00 0.00 174.94 177.21 2giw n PRO 76 N 4.82 2.15 -0.37 2.79 -0.04 -1.26 -3.91 135.00 139.19 2giw n PRO 76 Ca -0.15 -2.68 0.00 0.00 -0.04 0.00 0.00 63.50 60.63 2giw n PRO 76 Cb 0.50 -3.57 0.00 0.00 -0.04 0.00 0.00 33.50 30.39 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 5.48 0.62 3.92 0.55 0.00 -1.26 -4.94 105.19 109.56 2giw n GLY 77 Ca 0.47 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.24 2.00 -0.17 2.61 -1.32 -1.25 -4.72 115.64 110.54 2giw s THR 78 Ca 0.00 -0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.64 2giw s THR 78 Cb 0.00 -3.00 0.06 0.00 -1.51 0.00 0.00 72.50 68.05 2giw s THR 78 CO 0.00 0.00 1.37 0.50 -2.21 0.00 0.00 174.62 174.28 2giw h LYS 79 N -1.39 0.00 -6.95 7.08 3.64 -1.98 -3.46 116.57 113.51 2giw h LYS 79 Ca -0.45 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.39 2giw h LYS 79 Cb 1.28 0.00 0.10 0.00 -0.41 0.00 0.00 32.23 33.20 2giw h LYS 79 CO 0.50 0.43 0.70 1.41 -2.27 0.00 0.00 179.45 180.22 2giw s MET 80 N -2.98 3.95 -0.57 1.90 1.75 -1.26 -4.97 119.30 117.11 2giw s MET 80 Ca 0.03 2.38 0.02 0.00 -1.25 0.00 0.00 55.69 56.88 2giw s MET 80 Cb 0.08 -2.82 0.14 0.00 2.84 0.00 0.00 34.83 35.07 2giw s MET 80 CO 0.75 -0.59 0.33 0.42 -0.65 0.00 0.00 175.02 175.28 2giw s ILE 81 N -1.18 2.93 0.27 10.11 -1.09 -1.26 -4.95 121.20 126.02 2giw s ILE 81 Ca 0.56 -3.32 -0.19 0.00 -2.23 0.00 0.00 60.65 55.48 2giw s ILE 81 Cb -0.43 -2.98 0.01 0.00 -1.58 0.00 0.00 42.46 37.49 2giw s ILE 81 CO 0.56 -0.84 0.65 0.12 -1.23 0.00 0.00 174.94 174.20 2giw s PHE 82 N -0.35 -0.03 0.00 3.97 5.36 -1.26 -5.15 117.98 120.52 2giw s PHE 82 Ca 0.18 -0.40 0.00 0.00 -0.96 0.00 0.00 56.93 55.75 2giw s PHE 82 Cb -0.23 0.56 0.00 0.00 -0.34 0.00 0.00 43.02 43.01 2giw s PHE 82 CO -0.02 -1.16 0.00 0.00 -1.46 0.00 0.00 175.22 172.58 2giw n ALA 83 N -0.44 0.00 -1.22 11.12 0.00 -1.26 -4.53 120.51 124.18 2giw n ALA 83 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.10 2giw n ALA 83 Cb 0.60 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.16 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 0.00 1.65 -0.06 0.00 0.00 -1.26 -4.31 107.32 103.33 2giw s GLY 84 Ca 0.00 0.10 -0.08 0.00 0.00 0.00 0.00 44.72 44.75 2giw s GLY 84 CO 0.00 0.52 -0.15 4.51 0.00 0.00 0.00 173.10 177.98 2giw n ILE 85 N -3.71 0.92 0.00 0.90 0.13 -1.26 -5.07 119.36 111.27 2giw n ILE 85 Ca 0.08 0.27 0.00 0.00 -1.10 0.00 0.00 62.75 62.00 2giw n ILE 85 Cb 0.54 -1.84 0.00 0.00 -0.84 0.00 0.00 39.64 37.51 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 -3.57 0.00 -2.70 9.51 4.81 -1.26 -4.97 118.16 119.98 2giw n LYS 86 Ca -0.06 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.32 2giw n LYS 86 Cb 0.23 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.34 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 -0.58 0.37 0.00 1.64 4.81 -1.26 -5.03 118.16 118.11 2giw n LYS 87 Ca 0.00 -1.13 0.00 0.00 -0.87 0.00 0.00 58.31 56.31 2giw n LYS 87 Cb 0.00 -0.70 0.00 0.00 0.02 0.00 0.00 35.03 34.35 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 1.71 0.00 -0.16 1.64 5.02 -1.26 -4.57 118.16 120.55 2giw n LYS 88 Ca 0.06 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.30 2giw n LYS 88 Cb 0.67 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.64 2giw n LYS 88 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2giw n THR 89 N 0.00 -0.26 -0.10 -0.18 -1.04 -1.26 0.12 114.28 111.56 2giw n THR 89 Ca 0.00 1.23 -0.00 0.00 -2.04 0.00 0.00 64.05 63.24 2giw n THR 89 Cb 0.00 -1.55 0.27 0.00 -1.82 0.00 0.00 70.33 67.23 2giw n THR 89 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2giw h GLU 90 N 0.00 0.75 -0.02 -2.82 5.08 -1.94 0.25 114.58 115.88 2giw h GLU 90 Ca 0.06 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2giw h GLU 90 Cb 0.16 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2giw h GLU 90 CO -0.36 0.62 0.04 -0.09 -1.00 0.00 0.00 179.01 178.22 2giw h ARG 91 N 0.74 0.00 0.00 2.33 2.43 -0.68 -0.68 114.38 118.52 2giw h ARG 91 Ca 0.18 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 59.08 2giw h ARG 91 Cb 0.15 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 2giw h ARG 91 CO -0.02 0.00 -1.99 -1.91 -1.51 0.00 0.00 179.97 174.54 2giw n GLU 92 N -3.53 1.63 0.10 0.20 4.07 0.04 -3.98 120.64 119.17 2giw n GLU 92 Ca -0.02 -0.01 -0.12 0.00 -0.06 0.00 0.00 57.16 56.95 2giw n GLU 92 Cb 0.12 -1.37 -0.08 0.00 -0.06 0.00 0.00 31.44 30.05 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 0.00 -0.26 -0.46 4.31 3.32 -0.42 0.29 116.42 123.20 2giw h ASP 93 Ca -0.39 -0.27 0.03 0.00 0.02 0.00 0.00 57.03 56.41 2giw h ASP 93 Cb 1.89 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 41.48 2giw h ASP 93 CO 0.02 0.20 0.26 -0.07 -1.72 0.00 0.00 179.24 177.94 2giw h LEU 94 N -0.79 0.42 0.00 1.55 3.38 -1.36 0.26 115.31 118.77 2giw h LEU 94 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2giw h LEU 94 Cb 0.51 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2giw h LEU 94 CO 0.05 0.30 0.00 -0.38 0.09 0.00 0.00 178.44 178.50 2giw n ILE 95 N -4.84 0.09 -0.09 1.22 2.08 -1.25 -0.85 119.36 115.70 2giw n ILE 95 Ca 0.03 0.02 -0.22 0.00 0.56 0.00 0.00 62.75 63.14 2giw n ILE 95 Cb 0.08 -0.60 -0.12 0.00 -0.75 0.00 0.00 39.64 38.25 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 -1.15 0.80 0.30 -1.39 0.00 -0.07 -3.66 120.51 115.34 2giw n ALA 96 Ca 0.16 -0.51 -0.18 0.00 0.00 0.00 0.00 53.44 52.91 2giw n ALA 96 Cb 0.15 -0.57 -0.10 0.00 0.00 0.00 0.00 19.45 18.94 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 -0.88 -1.41 0.00 0.00 3.20 -0.78 -2.93 116.97 114.17 2giw h TYR 97 Ca -0.36 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.51 2giw h TYR 97 Cb 1.39 0.55 -0.00 0.00 1.54 0.00 0.00 36.73 40.21 2giw h TYR 97 CO 0.09 -0.68 -0.03 -0.07 -1.64 0.00 0.00 178.16 175.84 2giw h LEU 98 N -1.02 0.00 -1.83 2.82 3.38 -1.20 0.77 115.31 118.23 2giw h LEU 98 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2giw h LEU 98 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2giw h LEU 98 CO -0.06 0.03 0.00 0.11 0.09 0.00 0.00 178.44 178.61 2giw h LYS 99 N 0.00 0.00 0.00 1.13 1.57 -1.58 -1.69 116.57 116.00 2giw h LYS 99 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2giw h LYS 99 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2giw h LYS 99 CO 0.00 0.00 -1.22 0.36 -0.57 0.00 0.00 179.45 178.02 2giw n LYS 100 N -2.69 3.39 -0.31 3.15 -0.00 0.02 -4.65 118.16 117.06 2giw n LYS 100 Ca -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.29 2giw n LYS 100 Cb 0.13 -1.08 0.12 0.00 -0.00 0.00 0.00 35.03 34.20 2giw n LYS 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2giw h ALA 101 N 0.16 1.15 0.00 0.58 0.00 -0.76 0.07 119.26 120.46 2giw h ALA 101 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2giw h ALA 101 Cb 1.17 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2giw h ALA 101 CO 0.00 0.34 0.34 -2.37 0.00 0.00 0.00 179.25 177.57 2giw n THR 102 N -4.58 0.58 -2.75 0.00 5.66 -0.65 -1.60 114.28 110.94 2giw n THR 102 Ca 0.11 0.72 -0.02 0.00 -3.05 0.00 0.00 64.05 61.82 2giw n THR 102 Cb 0.13 -1.72 0.08 0.00 -1.55 0.00 0.00 70.33 67.26 2giw n THR 102 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2giw n ASN 103 N -1.95 0.27 -0.52 1.09 6.94 -0.12 -4.26 115.26 116.71 2giw n ASN 103 Ca -0.01 -2.18 0.14 0.00 -0.02 0.00 0.00 54.58 52.51 2giw n ASN 103 Cb 0.36 0.02 0.49 0.00 -2.36 0.00 0.00 39.78 38.29 2giw n ASN 103 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39