#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 0.06 0.18 1.61 -1.08 -1.26 -4.81 116.67 111.37 2giw s ASP 2 Ca 0.00 -0.31 -0.11 0.00 -0.52 0.00 0.00 52.55 51.62 2giw s ASP 2 Cb 0.00 0.23 0.07 0.00 -1.46 0.00 0.00 42.92 41.76 2giw s ASP 2 CO 0.00 -0.45 1.68 1.62 0.52 0.00 0.00 175.17 178.54 2giw h VAL 3 N 3.93 1.25 0.31 1.11 3.04 -1.82 0.20 116.25 124.27 2giw h VAL 3 Ca -0.31 -0.94 -0.01 0.00 -1.01 0.00 0.00 66.70 64.42 2giw h VAL 3 Cb 1.19 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 2giw h VAL 3 CO 0.44 0.35 -0.15 -0.33 -1.01 0.00 0.00 177.57 176.88 2giw h GLU 4 N 0.90 -0.40 -0.23 4.17 4.39 -1.95 0.21 114.58 121.67 2giw h GLU 4 Ca 0.19 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 2giw h GLU 4 Cb 0.38 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 2giw h GLU 4 CO 0.01 -0.20 0.11 0.87 -1.16 0.00 0.00 179.01 178.63 2giw h LYS 5 N -0.50 0.33 -0.43 2.33 1.57 -1.95 -3.07 116.57 114.85 2giw h LYS 5 Ca -0.04 -0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.78 2giw h LYS 5 Cb 0.38 -0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.54 2giw h LYS 5 CO 0.07 0.33 -0.14 0.78 -0.57 0.00 0.00 179.45 179.92 2giw h GLY 6 N 0.24 0.24 2.00 3.86 0.00 -0.12 0.13 103.07 109.42 2giw h GLY 6 Ca 0.08 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2giw h GLY 6 CO -0.01 -0.18 0.00 0.58 0.00 0.00 0.00 176.54 176.93 2giw n LYS 7 N -5.35 0.12 -0.11 4.80 2.85 0.02 -0.63 118.16 119.86 2giw n LYS 7 Ca 0.03 0.34 -0.24 0.00 -1.05 0.00 0.00 58.31 57.39 2giw n LYS 7 Cb 0.26 -1.73 -0.11 0.00 -0.65 0.00 0.00 35.03 32.80 2giw n LYS 7 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2giw n LYS 8 N -1.96 0.59 -0.11 -1.58 0.00 0.11 -3.69 118.16 111.52 2giw n LYS 8 Ca 0.03 0.45 -0.13 0.00 0.00 0.00 0.00 58.31 58.66 2giw n LYS 8 Cb 0.22 -1.65 -0.03 0.00 0.00 0.00 0.00 35.03 33.57 2giw n LYS 8 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2giw h ILE 9 N -0.92 1.29 0.19 3.15 5.03 -0.72 -0.37 117.51 125.15 2giw h ILE 9 Ca -0.48 -1.45 0.00 0.00 -0.12 0.00 0.00 64.86 62.81 2giw h ILE 9 Cb 1.46 1.45 -0.02 0.00 -3.03 0.00 0.00 36.82 36.68 2giw h ILE 9 CO -0.27 0.48 -0.34 0.15 -0.68 0.00 0.00 178.15 177.49 2giw h PHE 10 N 0.58 -0.97 -0.83 1.37 3.04 -1.07 -2.28 116.94 116.78 2giw h PHE 10 Ca 0.06 0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.16 2giw h PHE 10 Cb 0.86 0.40 -0.06 0.00 2.56 0.00 0.00 35.95 39.71 2giw h PHE 10 CO 0.07 -0.41 0.54 0.28 -2.02 0.00 0.00 178.31 176.76 2giw h VAL 11 N -0.57 0.86 -0.97 1.41 2.07 -1.60 0.80 116.25 118.26 2giw h VAL 11 Ca -0.02 -0.22 0.15 0.00 0.82 0.00 0.00 66.70 67.43 2giw h VAL 11 Cb 0.53 0.17 -0.08 0.00 -1.52 0.00 0.00 31.29 30.38 2giw h VAL 11 CO -0.13 0.12 0.61 -0.61 0.02 0.00 0.00 177.57 177.58 2giw h GLN 12 N 0.64 0.80 -0.03 1.57 4.15 -0.60 -3.31 115.11 118.33 2giw h GLN 12 Ca 0.40 -0.05 -0.16 0.00 0.77 0.00 0.00 58.65 59.61 2giw h GLN 12 Cb 0.66 -0.18 -0.28 0.00 0.21 0.00 0.00 27.48 27.89 2giw h GLN 12 CO -0.16 0.53 -0.72 0.36 -1.93 0.00 0.00 178.83 176.91 2giw n LYS 13 N -4.63 0.18 0.00 1.69 -0.00 0.58 -4.89 118.16 111.09 2giw n LYS 13 Ca 0.19 -1.67 0.00 0.00 -0.00 0.00 0.00 58.31 56.83 2giw n LYS 13 Cb 0.45 0.11 0.00 0.00 -0.00 0.00 0.00 35.03 35.60 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 2.30 -0.95 0.00 0.00 -1.63 0.16 119.26 119.14 2giw h ALA 15 Ca 0.00 0.05 0.29 0.00 0.00 0.00 0.00 54.91 55.24 2giw h ALA 15 Cb 0.34 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.99 2giw h ALA 15 CO 0.00 -0.68 0.23 0.37 0.00 0.00 0.00 179.25 179.17 2giw h GLN 16 N 0.36 0.10 0.03 0.00 -0.00 -1.90 -0.91 115.11 112.79 2giw h GLN 16 Ca 0.57 -0.01 -0.33 0.00 -0.00 0.00 0.00 58.65 58.89 2giw h GLN 16 Cb 1.51 -0.02 -0.05 0.00 0.00 0.00 0.00 27.48 28.92 2giw h GLN 16 CO -0.25 0.06 -1.95 0.00 0.00 0.00 0.00 178.83 176.69 2giw n HIS 18 N -3.10 0.69 -1.58 0.00 8.25 0.03 -4.04 115.22 115.46 2giw n HIS 18 Ca -0.25 -3.69 -0.41 0.00 -0.26 0.00 0.00 57.72 53.10 2giw n HIS 18 Cb 1.07 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 32.03 2giw n HIS 18 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2giw n THR 19 N 2.22 3.37 -2.70 1.59 -1.04 -1.11 -4.06 114.28 112.55 2giw n THR 19 Ca 0.26 -2.75 -0.42 0.00 -2.04 0.00 0.00 64.05 59.10 2giw n THR 19 Cb 0.45 -2.57 -0.03 0.00 -1.82 0.00 0.00 70.33 66.36 2giw n THR 19 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2giw s VAL 20 N 3.25 4.18 -0.35 12.58 0.11 -1.26 -3.41 120.40 135.50 2giw s VAL 20 Ca 0.51 -0.83 0.12 0.00 -2.93 0.00 0.00 61.98 58.85 2giw s VAL 20 Cb 0.15 -4.93 0.40 0.00 -1.53 0.00 0.00 36.38 30.47 2giw s VAL 20 CO -0.06 -1.76 1.49 -1.84 -3.33 0.00 0.00 175.10 169.60 2giw n GLU 21 N 8.14 1.31 -3.20 1.54 0.28 -1.26 -4.99 120.64 122.45 2giw n GLU 21 Ca 0.23 -1.34 -0.14 0.00 -0.16 0.00 0.00 57.16 55.75 2giw n GLU 21 Cb 0.50 0.31 0.08 0.00 1.43 0.00 0.00 31.44 33.75 2giw n GLU 21 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2giw n LYS 22 N -1.31 -5.20 0.10 3.44 5.02 -1.26 -4.92 118.16 114.02 2giw n LYS 22 Ca -0.14 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 2giw n LYS 22 Cb 0.87 -5.38 0.00 0.00 -0.02 0.00 0.00 35.03 30.49 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 -1.13 -0.26 0.46 0.72 0.00 -1.26 -5.15 105.19 98.57 2giw n GLY 23 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 1.76 -0.73 3.24 -0.02 0.00 -1.22 -5.12 105.19 103.10 2giw n GLY 24 Ca 0.00 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.57 1.39 0.00 1.61 3.01 -1.26 -5.04 119.74 118.87 2giw s LYS 25 Ca 0.00 -0.92 0.00 0.00 -1.01 0.00 0.00 55.97 54.04 2giw s LYS 25 Cb 0.00 -1.49 0.00 0.00 -1.01 0.00 0.00 37.83 35.33 2giw s LYS 25 CO 0.00 0.38 0.00 0.72 0.51 0.00 0.00 175.35 176.96 2giw n HIS 26 N 1.90 0.00 -1.64 3.18 8.25 -1.26 -2.20 115.22 123.45 2giw n HIS 26 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 2giw n HIS 26 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 2giw n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2giw n LYS 27 N 0.00 -2.94 -2.38 -0.41 5.02 -1.26 -4.69 118.16 111.50 2giw n LYS 27 Ca 0.00 2.34 -0.20 0.00 -2.02 0.00 0.00 58.31 58.43 2giw n LYS 27 Cb 0.00 -2.70 -0.01 0.00 -0.02 0.00 0.00 35.03 32.30 2giw n LYS 27 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2giw n THR 28 N 1.02 -0.95 0.00 -0.18 -1.04 -1.26 -4.80 114.28 107.07 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 -2.88 0.00 0.00 -1.82 0.00 0.00 70.33 65.63 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 -1.02 1.42 3.76 3.41 0.00 -1.26 -4.77 105.19 106.73 2giw n GLY 29 Ca -0.24 0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.15 3.66 0.10 1.61 0.02 -1.26 -4.21 135.00 134.76 2giw s PRO 30 Ca 0.00 2.03 -0.34 0.00 0.02 0.00 0.00 61.00 62.72 2giw s PRO 30 Cb 0.00 -2.48 -0.13 0.00 0.02 0.00 0.00 34.50 31.91 2giw s PRO 30 CO 0.00 -0.71 1.69 0.27 -0.33 0.00 0.00 177.00 177.92 2giw n ASN 31 N -0.43 3.35 -3.60 2.53 6.94 -0.93 -4.80 115.26 118.32 2giw n ASN 31 Ca 0.07 1.04 -0.40 0.00 -0.02 0.00 0.00 54.58 55.27 2giw n ASN 31 Cb 0.46 -1.44 -0.02 0.00 -2.36 0.00 0.00 39.78 36.42 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 4.52 6.63 0.26 -4.53 4.77 -1.26 -4.76 117.00 122.63 2giw n LEU 32 Ca 0.18 -3.89 0.09 0.00 -0.03 0.00 0.00 56.01 52.37 2giw n LEU 32 Cb 0.30 -1.51 0.68 0.00 -2.33 0.00 0.00 43.42 40.56 2giw n LEU 32 CO 0.66 1.01 1.04 -0.74 -1.33 0.00 0.00 177.39 178.03 2giw h HIS 33 N 6.16 0.00 0.00 -1.77 2.76 -1.99 -3.40 115.15 116.91 2giw h HIS 33 Ca 0.60 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.77 2giw h HIS 33 Cb 0.55 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.51 2giw h HIS 33 CO 1.53 0.05 0.00 0.41 -1.30 0.00 0.00 177.93 178.62 2giw n GLY 34 N -1.32 -0.68 5.05 5.26 0.00 -1.26 -4.85 105.19 107.40 2giw n GLY 34 Ca -0.03 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.72 0.00 -4.55 0.99 4.32 -1.26 -4.35 117.00 109.43 2giw n LEU 35 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 56.01 55.62 2giw n LEU 35 Cb 0.00 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.77 2giw n LEU 35 CO 0.00 0.00 1.96 -0.36 -1.22 0.00 0.00 177.39 177.77 2giw s PHE 36 N 0.00 1.15 0.00 -1.77 0.40 -0.91 -1.84 117.98 115.01 2giw s PHE 36 Ca 0.00 1.43 0.00 0.00 -0.60 0.00 0.00 56.93 57.76 2giw s PHE 36 Cb 0.00 -3.66 0.00 0.00 0.51 0.00 0.00 43.02 39.87 2giw s PHE 36 CO 0.00 -2.57 0.00 0.41 0.70 0.00 0.00 175.22 173.76 2giw n GLY 37 N 5.96 0.61 3.02 4.36 0.00 -1.09 -5.02 105.19 113.03 2giw n GLY 37 Ca 0.34 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.89 0.41 -0.50 1.61 3.52 -0.77 -5.09 118.95 115.25 2giw s ARG 38 Ca 0.00 -0.77 -0.27 0.00 -0.13 0.00 0.00 55.73 54.56 2giw s ARG 38 Cb 0.00 0.09 0.03 0.00 -1.56 0.00 0.00 34.95 33.51 2giw s ARG 38 CO 0.00 -0.05 1.03 -1.59 -0.81 0.00 0.00 175.30 173.87 2giw s LYS 39 N -2.07 3.54 1.04 5.12 0.00 -1.26 -4.18 119.74 121.93 2giw s LYS 39 Ca -0.10 0.20 -0.12 0.00 0.00 0.00 0.00 55.97 55.95 2giw s LYS 39 Cb -0.06 -3.96 0.21 0.00 0.00 0.00 0.00 37.83 34.03 2giw s LYS 39 CO -0.03 -1.38 1.07 0.99 0.00 0.00 0.00 175.35 176.00 2giw s THR 40 N 4.16 2.15 -0.47 3.79 2.01 -0.01 -4.09 115.64 123.17 2giw s THR 40 Ca 0.40 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.45 2giw s THR 40 Cb -0.09 -2.36 0.00 0.00 0.01 0.00 0.00 72.50 70.06 2giw s THR 40 CO 0.26 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.74 2giw n GLY 41 N -0.34 0.26 2.03 4.40 0.00 -1.25 -4.08 105.19 106.20 2giw n GLY 41 Ca 0.05 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.74 0.00 0.00 1.61 1.13 -1.26 -4.89 117.38 112.23 2giw n GLN 42 Ca -0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 2giw n GLN 42 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.83 2giw n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2giw n ALA 43 N -2.69 0.00 -1.51 -1.58 0.00 -1.26 -4.47 120.51 109.00 2giw n ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2giw n ALA 43 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -2.95 0.00 -0.04 -1.26 -4.94 135.00 125.82 2giw n PRO 44 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 2giw n PRO 44 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 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 4.64 5.61 1.22 0.55 0.00 -1.26 -4.66 105.19 111.28 2giw n GLY 45 Ca 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 46.02 43.27 2giw n GLY 45 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2giw n PHE 46 N -0.04 -2.31 -4.24 1.61 7.35 -1.26 -5.05 117.46 113.52 2giw n PHE 46 Ca 0.34 0.35 -0.32 0.00 -0.76 0.00 0.00 57.45 57.06 2giw n PHE 46 Cb 0.37 1.13 -0.07 0.00 0.35 0.00 0.00 39.48 41.26 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 -2.51 -1.43 -3.93 -2.13 5.66 -1.26 -4.79 114.28 103.89 2giw n THR 47 Ca 0.00 -0.38 0.06 0.00 -3.05 0.00 0.00 64.05 60.67 2giw n THR 47 Cb 0.00 -1.45 -0.01 0.00 -1.55 0.00 0.00 70.33 67.31 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 -4.45 -2.47 -2.06 1.09 4.11 -1.26 -3.89 117.16 108.23 2giw n TYR 48 Ca -0.23 0.53 -0.37 0.00 -0.00 0.00 0.00 57.90 57.83 2giw n TYR 48 Cb 0.64 -0.77 0.01 0.00 -0.00 0.00 0.00 39.34 39.22 2giw n TYR 48 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 2giw s THR 49 N -0.65 2.68 0.49 -3.48 -4.23 -1.26 -4.75 115.64 104.44 2giw s THR 49 Ca 0.00 0.49 0.27 0.00 -1.18 0.00 0.00 61.69 61.28 2giw s THR 49 Cb 0.00 -3.24 0.46 0.00 1.34 0.00 0.00 72.50 71.06 2giw s THR 49 CO 0.00 -0.02 1.85 -0.78 -0.54 0.00 0.00 174.62 175.12 2giw h ASP 50 N 1.64 0.17 -0.84 3.99 1.82 -1.90 0.20 116.42 121.49 2giw h ASP 50 Ca -0.50 0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.14 2giw h ASP 50 Cb 1.27 -0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.24 2giw h ASP 50 CO 0.58 0.05 0.43 0.00 -1.61 0.00 0.00 179.24 178.69 2giw h ALA 51 N 1.55 1.16 0.01 -0.78 0.00 -1.92 0.56 119.26 119.85 2giw h ALA 51 Ca 0.49 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 55.08 2giw h ALA 51 Cb 1.66 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 19.13 2giw h ALA 51 CO -0.09 0.65 -0.68 -0.97 0.00 0.00 0.00 179.25 178.15 2giw h ASN 52 N 1.20 0.57 -0.54 0.00 -0.73 -0.75 -3.24 115.58 112.10 2giw h ASN 52 Ca 0.29 -0.78 0.09 0.00 1.87 0.00 0.00 56.30 57.78 2giw h ASN 52 Cb 0.08 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 38.46 2giw h ASN 52 CO -0.04 1.28 0.36 0.07 -0.37 0.00 0.00 177.43 178.73 2giw h LYS 53 N -0.07 0.33 0.00 6.67 2.10 -0.67 -0.91 116.57 124.02 2giw h LYS 53 Ca -0.09 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 2giw h LYS 53 Cb 1.39 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 2giw h LYS 53 CO 0.13 0.22 0.00 -1.71 -2.00 0.00 0.00 179.45 176.09 2giw n ASN 54 N -4.46 0.15 0.41 7.07 2.85 0.19 -3.88 115.26 117.60 2giw n ASN 54 Ca 0.08 0.55 -0.16 0.00 -0.11 0.00 0.00 54.58 54.94 2giw n ASN 54 Cb 0.36 -0.58 -0.08 0.00 1.24 0.00 0.00 39.78 40.73 2giw n ASN 54 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 2giw h LYS 55 N 0.00 -1.02 -3.66 1.20 1.79 -1.31 -3.48 116.57 110.09 2giw h LYS 55 Ca 0.00 0.07 -0.28 0.00 -2.18 0.00 0.00 60.65 58.26 2giw h LYS 55 Cb 0.19 0.23 0.06 0.00 -1.58 0.00 0.00 32.23 31.14 2giw h LYS 55 CO 0.00 -0.68 -0.44 0.41 -1.08 0.00 0.00 179.45 177.66 2giw n GLY 56 N -1.16 -0.11 1.95 3.86 0.00 -1.26 -5.00 105.19 103.48 2giw n GLY 56 Ca -0.13 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.16 0.00 -0.51 -0.61 -5.35 -1.26 -4.82 119.36 102.65 2giw n ILE 57 Ca -0.04 -0.71 0.05 0.00 -0.27 0.00 0.00 62.75 61.78 2giw n ILE 57 Cb 0.57 -1.30 0.11 0.00 -1.74 0.00 0.00 39.64 37.28 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 -2.33 1.47 -3.87 7.28 -1.04 -1.26 -0.83 114.28 113.70 2giw n THR 58 Ca 0.08 -1.53 -0.20 0.00 -2.04 0.00 0.00 64.05 60.36 2giw n THR 58 Cb 0.30 0.16 0.01 0.00 -1.82 0.00 0.00 70.33 68.97 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 -0.61 -0.59 -2.57 -1.42 5.03 -1.26 -2.65 117.44 113.37 2giw n TRP 59 Ca 0.10 0.02 -0.24 0.00 3.03 0.00 0.00 57.50 60.42 2giw n TRP 59 Cb 0.50 -1.18 0.10 0.00 -1.03 0.00 0.00 31.31 29.71 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 -6.02 1.74 0.00 -0.99 0.00 -1.26 -2.13 119.74 111.07 2giw s LYS 60 Ca 0.21 -1.06 0.00 0.00 0.00 0.00 0.00 55.97 55.12 2giw s LYS 60 Cb -0.12 -2.33 0.00 0.00 0.00 0.00 0.00 37.83 35.38 2giw s LYS 60 CO 0.42 -1.40 0.63 -0.85 0.00 0.00 0.00 175.35 174.15 2giw n GLU 61 N -2.81 0.46 0.12 1.78 0.00 -1.26 -1.53 120.64 117.40 2giw n GLU 61 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.30 2giw n GLU 61 Cb 0.60 -1.27 0.00 0.00 0.00 0.00 0.00 31.44 30.77 2giw n GLU 61 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2giw n GLU 62 N 1.15 0.00 -0.06 3.44 1.02 -1.26 -4.69 120.64 120.24 2giw n GLU 62 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 2giw n GLU 62 Cb 0.23 -0.08 0.12 0.00 -0.02 0.00 0.00 31.44 31.69 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 1.27 -0.41 2.62 1.35 -1.88 -1.28 112.91 114.59 2giw h THR 63 Ca 0.00 -1.32 0.03 0.00 -0.55 0.00 0.00 66.41 64.56 2giw h THR 63 Cb 0.02 1.25 -0.03 0.00 -1.73 0.00 0.00 68.15 67.66 2giw h THR 63 CO 0.00 0.44 0.21 -0.07 -0.25 0.00 0.00 175.52 175.85 2giw h LEU 64 N 0.61 0.33 0.15 3.87 4.07 -1.59 -0.75 115.31 121.98 2giw h LEU 64 Ca 0.08 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 2giw h LEU 64 Cb 0.72 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 42.41 2giw h LEU 64 CO 0.06 0.23 -0.09 -0.03 -1.08 0.00 0.00 178.44 177.53 2giw h MET 65 N 0.44 -0.21 -0.39 1.13 4.05 -1.60 0.17 114.93 118.52 2giw h MET 65 Ca 0.17 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.59 2giw h MET 65 Cb 0.06 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.89 2giw h MET 65 CO -0.11 -0.14 0.20 1.49 0.23 0.00 0.00 176.91 178.58 2giw h GLU 66 N -0.22 0.55 0.56 0.39 4.81 -1.16 -0.48 114.58 119.03 2giw h GLU 66 Ca -0.01 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 2giw h GLU 66 Cb 0.18 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2giw h GLU 66 CO 0.02 0.47 -0.40 -0.92 -0.73 0.00 0.00 179.01 177.45 2giw h TYR 67 N 0.49 -1.06 -0.84 0.92 3.20 -1.04 -1.15 116.97 117.48 2giw h TYR 67 Ca 0.13 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.08 2giw h TYR 67 Cb 0.09 0.39 -0.06 0.00 1.54 0.00 0.00 36.73 38.70 2giw h TYR 67 CO -0.02 -0.58 0.55 -0.07 -1.64 0.00 0.00 178.16 176.40 2giw h LEU 68 N -0.93 0.78 0.23 2.82 -0.00 -0.78 0.25 115.31 117.67 2giw h LEU 68 Ca -0.07 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.82 2giw h LEU 68 Cb 0.77 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 41.28 2giw h LEU 68 CO 0.03 0.48 -0.12 -0.08 -0.00 0.00 0.00 178.44 178.76 2giw h GLU 69 N 0.88 -0.31 -1.59 1.13 4.22 -0.88 -3.42 114.58 114.61 2giw h GLU 69 Ca 0.37 0.02 -0.42 0.00 0.08 0.00 0.00 59.36 59.42 2giw h GLU 69 Cb 0.31 0.07 -0.29 0.00 0.50 0.00 0.00 28.75 29.34 2giw h GLU 69 CO -0.14 -0.21 -0.82 -1.71 -2.18 0.00 0.00 179.01 173.95 2giw n ASN 70 N -5.24 -1.42 -0.06 1.04 2.85 -0.42 -4.30 115.26 107.71 2giw n ASN 70 Ca -0.09 -2.72 -0.13 0.00 -0.11 0.00 0.00 54.58 51.52 2giw n ASN 70 Cb 0.16 0.35 -0.07 0.00 1.24 0.00 0.00 39.78 41.46 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 4.84 0.41 0.00 1.20 0.13 -0.79 0.15 132.00 137.94 2giw h PRO 71 Ca 0.11 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2giw h PRO 71 Cb 0.97 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2giw h PRO 71 CO 0.30 0.81 0.00 0.36 -0.23 0.00 0.00 178.00 179.24 2giw n LYS 72 N -4.49 0.15 -0.09 0.86 -0.00 -1.26 -1.26 118.16 112.07 2giw n LYS 72 Ca -0.06 0.63 -0.14 0.00 -0.00 0.00 0.00 58.31 58.73 2giw n LYS 72 Cb 0.40 -1.97 -0.06 0.00 -0.00 0.00 0.00 35.03 33.40 2giw n LYS 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2giw n LYS 73 N -2.28 0.52 -0.34 -1.58 3.00 -0.50 -4.13 118.16 112.86 2giw n LYS 73 Ca -0.01 0.44 0.16 0.00 -0.00 0.00 0.00 58.31 58.91 2giw n LYS 73 Cb 0.05 -1.63 0.37 0.00 0.00 0.00 0.00 35.03 33.81 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 -1.00 0.93 -3.61 5.64 3.20 -0.74 -3.33 116.97 118.06 2giw h TYR 74 Ca -0.21 0.04 -0.61 0.00 3.14 0.00 0.00 58.73 61.09 2giw h TYR 74 Cb 1.01 -0.26 -0.38 0.00 1.54 0.00 0.00 36.73 38.64 2giw h TYR 74 CO -0.14 0.04 -0.79 0.42 -1.64 0.00 0.00 178.16 176.05 2giw s ILE 75 N -5.80 1.51 -1.40 1.81 1.01 -0.39 -5.05 121.20 112.89 2giw s ILE 75 Ca -0.11 -1.18 -0.13 0.00 0.00 0.00 0.00 60.65 59.23 2giw s ILE 75 Cb 0.27 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 2giw s ILE 75 CO 0.79 -0.08 2.40 -0.81 0.00 0.00 0.00 174.94 177.24 2giw n PRO 76 N 4.68 2.90 0.00 2.79 -0.04 -1.25 -4.24 135.00 139.85 2giw n PRO 76 Ca -0.12 -2.33 0.00 0.00 -0.04 0.00 0.00 63.50 61.00 2giw n PRO 76 Cb 0.44 -3.06 0.00 0.00 -0.04 0.00 0.00 33.50 30.84 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 3.98 0.24 3.43 0.55 0.00 -1.26 -4.98 105.19 107.16 2giw n GLY 77 Ca 0.59 0.30 -0.16 0.00 0.00 0.00 0.00 46.02 46.75 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 0.00 0.02 -0.41 2.61 -1.32 -1.26 -3.57 115.64 111.71 2giw s THR 78 Ca 0.00 -0.15 0.05 0.00 -1.21 0.00 0.00 61.69 60.39 2giw s THR 78 Cb 0.00 -0.88 0.55 0.00 -1.51 0.00 0.00 72.50 70.67 2giw s THR 78 CO 0.00 -0.08 1.70 2.29 -2.21 0.00 0.00 174.62 176.32 2giw n LYS 79 N 1.10 2.27 0.15 7.08 2.85 -1.26 -4.67 118.16 125.68 2giw n LYS 79 Ca -0.20 -3.23 0.01 0.00 -1.05 0.00 0.00 58.31 53.84 2giw n LYS 79 Cb 0.57 -2.06 0.22 0.00 -0.65 0.00 0.00 35.03 33.11 2giw n LYS 79 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 2giw h MET 80 N 1.26 0.00 -5.88 -1.58 4.05 -1.97 -3.48 114.93 107.34 2giw h MET 80 Ca 0.45 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.68 2giw h MET 80 Cb 1.94 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.74 2giw h MET 80 CO 0.87 0.54 -0.47 -0.89 0.23 0.00 0.00 176.91 177.19 2giw n ILE 81 N -3.71 -7.68 -3.69 1.77 2.08 -1.26 -5.03 119.36 101.84 2giw n ILE 81 Ca -0.01 -0.06 -0.11 0.00 0.56 0.00 0.00 62.75 63.13 2giw n ILE 81 Cb 0.58 -5.47 -0.10 0.00 -0.75 0.00 0.00 39.64 33.90 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 -2.89 -0.65 -0.49 1.39 2.19 -1.26 -5.12 117.98 111.15 2giw s PHE 82 Ca 0.04 1.43 0.07 0.00 0.33 0.00 0.00 56.93 58.80 2giw s PHE 82 Cb -0.01 0.29 0.19 0.00 -1.31 0.00 0.00 43.02 42.18 2giw s PHE 82 CO 0.81 -0.34 0.68 0.00 1.83 0.00 0.00 175.22 178.20 2giw s ALA 83 N 0.99 -1.97 0.00 11.12 0.00 -1.26 -4.52 121.76 126.12 2giw s ALA 83 Ca -0.06 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.50 2giw s ALA 83 Cb -0.06 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.40 2giw s ALA 83 CO -0.09 -2.22 0.00 0.41 0.00 0.00 0.00 175.76 173.86 2giw n GLY 84 N 3.26 -0.62 0.86 0.00 0.00 -1.26 -5.05 105.19 102.37 2giw n GLY 84 Ca 0.17 -1.39 -0.05 0.00 0.00 0.00 0.00 46.02 44.75 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 0.30 0.26 0.13 -0.61 3.06 -1.26 -5.06 119.36 116.17 2giw n ILE 85 Ca 0.00 -0.06 0.00 0.00 -2.50 0.00 0.00 62.75 60.19 2giw n ILE 85 Cb 0.00 -1.56 0.00 0.00 0.54 0.00 0.00 39.64 38.62 2giw n ILE 85 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 2giw n LYS 86 N -3.21 0.00 0.10 9.51 4.81 -1.26 -5.03 118.16 123.08 2giw n LYS 86 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 2giw n LYS 86 Cb 0.56 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.61 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 -3.01 0.00 0.00 1.64 3.00 -1.26 -5.05 118.16 113.47 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 0.36 0.00 0.00 0.00 177.40 177.76 2giw n LYS 88 N -2.85 0.00 -0.32 1.64 2.85 -1.26 -4.92 118.16 113.30 2giw n LYS 88 Ca 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.20 2giw n LYS 88 Cb 0.00 -0.01 -0.02 0.00 -0.65 0.00 0.00 35.03 34.35 2giw n LYS 88 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 2giw h THR 89 N 0.00 0.04 0.11 0.58 2.02 -1.97 0.01 112.91 113.69 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 -0.03 0.00 -1.74 0.00 0.00 68.15 66.42 2giw h THR 89 CO 0.00 0.00 -0.23 -0.33 0.37 0.00 0.00 175.52 175.33 2giw h GLU 90 N -0.09 -0.40 0.00 6.66 5.08 -1.96 0.59 114.58 124.46 2giw h GLU 90 Ca 0.24 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2giw h GLU 90 Cb 0.54 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2giw h GLU 90 CO -0.86 -0.27 0.00 -2.13 -1.00 0.00 0.00 179.01 174.75 2giw n ARG 91 N -5.35 0.06 0.00 2.33 0.63 -0.18 -0.65 116.66 113.50 2giw n ARG 91 Ca -0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 2giw n ARG 91 Cb 0.26 -1.16 0.00 0.00 0.45 0.00 0.00 32.46 32.01 2giw n ARG 91 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2giw n GLU 92 N -0.66 3.07 -0.11 -0.14 4.07 0.06 -4.60 120.64 122.32 2giw n GLU 92 Ca 0.00 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 56.87 2giw n GLU 92 Cb 0.00 -0.69 -0.11 0.00 -0.06 0.00 0.00 31.44 30.58 2giw n GLU 92 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 2giw n ASP 93 N -1.03 1.98 -0.25 4.31 5.68 -0.29 0.37 116.55 127.32 2giw n ASP 93 Ca 0.00 0.12 -0.02 0.00 -0.50 0.00 0.00 54.79 54.39 2giw n ASP 93 Cb 0.00 -0.66 0.04 0.00 -1.14 0.00 0.00 41.12 39.36 2giw n ASP 93 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2giw h LEU 94 N -0.43 -1.07 -0.89 -2.12 -0.00 -1.14 0.89 115.31 110.56 2giw h LEU 94 Ca -0.59 0.24 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 2giw h LEU 94 Cb 1.76 0.57 0.00 0.00 -0.00 0.00 0.00 40.66 43.00 2giw h LEU 94 CO -0.20 -0.29 0.00 -0.38 -0.00 0.00 0.00 178.44 177.57 2giw n ILE 95 N -5.46 0.29 -0.13 1.22 -0.00 -1.26 -2.50 119.36 111.51 2giw n ILE 95 Ca 0.07 -0.31 -0.21 0.00 -0.00 0.00 0.00 62.75 62.30 2giw n ILE 95 Cb 0.37 0.17 -0.11 0.00 -0.00 0.00 0.00 39.64 40.07 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 0.18 1.39 0.42 -1.39 0.00 0.14 -4.22 120.51 117.03 2giw n ALA 96 Ca 0.11 -1.09 -0.17 0.00 0.00 0.00 0.00 53.44 52.28 2giw n ALA 96 Cb 0.23 -0.03 -0.08 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.24 -1.09 0.00 0.00 3.20 -0.96 -3.18 116.97 114.71 2giw h TYR 97 Ca -0.60 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.24 2giw h TYR 97 Cb 1.82 0.37 -0.00 0.00 1.54 0.00 0.00 36.73 40.46 2giw h TYR 97 CO 0.00 -0.65 -0.02 -0.07 -1.64 0.00 0.00 178.16 175.78 2giw h LEU 98 N -1.11 0.00 -0.28 2.82 3.38 -1.73 0.96 115.31 119.35 2giw h LEU 98 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2giw h LEU 98 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2giw h LEU 98 CO 0.15 0.02 0.00 1.17 0.09 0.00 0.00 178.44 179.87 2giw n LYS 99 N -3.71 0.06 -0.04 1.13 4.81 -1.20 -1.49 118.16 117.72 2giw n LYS 99 Ca -0.03 0.35 -0.04 0.00 -0.87 0.00 0.00 58.31 57.72 2giw n LYS 99 Cb 0.10 -1.63 -0.05 0.00 0.02 0.00 0.00 35.03 33.47 2giw n LYS 99 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2giw n LYS 100 N -1.76 1.92 -0.26 1.64 2.85 0.15 -4.71 118.16 118.00 2giw n LYS 100 Ca 0.02 0.02 0.07 0.00 -1.05 0.00 0.00 58.31 57.37 2giw n LYS 100 Cb 0.16 -1.17 0.20 0.00 -0.65 0.00 0.00 35.03 33.56 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 0.21 1.01 -1.15 0.58 0.00 -0.53 0.21 119.26 119.60 2giw h ALA 101 Ca -0.19 0.17 0.43 0.00 0.00 0.00 0.00 54.91 55.32 2giw h ALA 101 Cb 1.38 0.22 -0.15 0.00 0.00 0.00 0.00 17.79 19.25 2giw h ALA 101 CO -0.00 -0.34 0.70 -2.37 0.00 0.00 0.00 179.25 177.24 2giw n THR 102 N -5.14 -0.30 -2.51 0.00 5.66 -0.56 -1.13 114.28 110.30 2giw n THR 102 Ca 0.15 1.77 -0.15 0.00 -3.05 0.00 0.00 64.05 62.77 2giw n THR 102 Cb 0.48 -2.89 0.02 0.00 -1.55 0.00 0.00 70.33 66.40 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 -4.79 3.11 -0.45 1.09 5.15 0.64 -4.78 115.26 115.23 2giw n ASN 103 Ca 0.37 -3.04 0.14 0.00 -0.60 0.00 0.00 54.58 51.45 2giw n ASN 103 Cb 1.37 -0.46 0.55 0.00 -0.53 0.00 0.00 39.78 40.71 2giw n ASN 103 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04