#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 7.08 0.17 1.61 1.11 -1.26 -4.74 116.67 120.63 2giw s ASP 2 Ca 0.00 1.31 -0.14 0.00 0.18 0.00 0.00 52.55 53.90 2giw s ASP 2 Cb 0.00 -2.47 0.05 0.00 1.07 0.00 0.00 42.92 41.57 2giw s ASP 2 CO 0.00 -0.28 1.79 1.62 1.18 0.00 0.00 175.17 179.48 2giw h VAL 3 N 4.96 1.16 0.02 -1.27 3.04 -1.91 0.25 116.25 122.50 2giw h VAL 3 Ca -0.36 -0.38 -0.00 0.00 -1.01 0.00 0.00 66.70 64.95 2giw h VAL 3 Cb 1.17 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 2giw h VAL 3 CO 0.79 0.17 -0.01 -0.33 -1.01 0.00 0.00 177.57 177.18 2giw h GLU 4 N 0.69 -0.03 -0.17 4.17 4.39 -1.93 -1.45 114.58 120.26 2giw h GLU 4 Ca 0.18 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.81 2giw h GLU 4 Cb 0.01 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2giw h GLU 4 CO -0.03 0.66 -0.25 0.87 -1.16 0.00 0.00 179.01 179.10 2giw h LYS 5 N -0.78 0.30 0.13 2.33 1.57 -1.94 0.16 116.57 118.35 2giw h LYS 5 Ca -0.00 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2giw h LYS 5 Cb 0.71 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.95 2giw h LYS 5 CO 0.01 0.54 -0.46 0.78 -0.57 0.00 0.00 179.45 179.74 2giw h GLY 6 N 0.99 -0.97 0.30 3.86 0.00 -0.51 0.86 103.07 107.60 2giw h GLY 6 Ca 0.04 0.56 0.13 0.00 0.00 0.00 0.00 47.33 48.06 2giw h GLY 6 CO 0.04 -0.27 0.38 1.70 0.00 0.00 0.00 176.54 178.39 2giw h LYS 7 N -0.70 0.57 0.08 4.80 3.64 -0.09 0.75 116.57 125.61 2giw h LYS 7 Ca 0.01 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.17 2giw h LYS 7 Cb 0.72 -0.13 0.02 0.00 -0.41 0.00 0.00 32.23 32.43 2giw h LYS 7 CO -0.26 0.38 -0.78 -0.22 -2.27 0.00 0.00 179.45 176.30 2giw h LYS 8 N 0.59 0.38 -0.27 1.90 1.63 -0.50 -0.35 116.57 119.95 2giw h LYS 8 Ca 0.41 -0.52 -0.02 0.00 -0.85 0.00 0.00 60.65 59.67 2giw h LYS 8 Cb 0.54 0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.33 2giw h LYS 8 CO -0.34 1.20 0.10 0.82 -3.45 0.00 0.00 179.45 177.78 2giw h ILE 9 N -0.19 1.18 0.00 2.00 2.04 -0.66 -0.14 117.51 121.75 2giw h ILE 9 Ca -0.12 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.18 2giw h ILE 9 Cb 1.54 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 2giw h ILE 9 CO 0.15 0.19 -0.30 0.15 0.00 0.00 0.00 178.15 178.34 2giw h PHE 10 N 0.28 -0.87 -0.85 1.37 3.57 -0.89 -2.42 116.94 117.13 2giw h PHE 10 Ca 0.09 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.76 2giw h PHE 10 Cb 0.21 0.38 -0.06 0.00 2.79 0.00 0.00 35.95 39.26 2giw h PHE 10 CO -0.00 -0.32 0.56 0.28 -2.23 0.00 0.00 178.31 176.60 2giw h VAL 11 N -0.38 0.82 -0.25 1.41 2.07 -0.82 0.51 116.25 119.61 2giw h VAL 11 Ca 0.01 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.38 2giw h VAL 11 Cb 0.40 0.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.27 2giw h VAL 11 CO -0.20 0.11 -0.19 -0.61 0.02 0.00 0.00 177.57 176.71 2giw h GLN 12 N 0.60 -0.17 0.00 1.57 4.15 -0.55 -3.30 115.11 117.41 2giw h GLN 12 Ca 0.43 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.86 2giw h GLN 12 Cb 0.78 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.51 2giw h GLN 12 CO -0.18 -0.11 0.00 1.63 -1.93 0.00 0.00 178.83 178.24 2giw n LYS 13 N -5.34 4.04 -0.07 1.69 5.02 0.23 -4.77 118.16 118.95 2giw n LYS 13 Ca -0.01 -0.14 -0.11 0.00 -2.02 0.00 0.00 58.31 56.03 2giw n LYS 13 Cb 0.26 -0.60 -0.07 0.00 -0.02 0.00 0.00 35.03 34.60 2giw n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2giw h ALA 15 N -0.10 2.36 -1.16 0.00 0.00 -1.62 0.57 119.26 119.32 2giw h ALA 15 Ca -0.34 -0.02 0.37 0.00 0.00 0.00 0.00 54.91 54.93 2giw h ALA 15 Cb 1.48 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 19.17 2giw h ALA 15 CO -0.08 -0.56 0.72 -0.56 0.00 0.00 0.00 179.25 178.76 2giw h GLN 16 N 0.00 0.20 0.00 0.00 3.07 -1.82 -2.20 115.11 114.36 2giw h GLN 16 Ca 0.21 -0.01 -0.25 0.00 0.09 0.00 0.00 58.65 58.68 2giw h GLN 16 Cb 0.87 -0.04 -0.05 0.00 0.08 0.00 0.00 27.48 28.34 2giw h GLN 16 CO -0.00 0.13 -1.95 0.00 0.09 0.00 0.00 178.83 177.10 2giw n HIS 18 N -2.53 1.19 -1.22 0.00 8.25 -0.08 -3.05 115.22 117.79 2giw n HIS 18 Ca -0.23 -3.80 -0.36 0.00 -0.26 0.00 0.00 57.72 53.08 2giw n HIS 18 Cb 0.94 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 31.75 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 1.88 3.87 -2.28 1.59 -1.04 -1.08 -4.03 114.28 113.20 2giw n THR 19 Ca 0.25 -2.37 -0.34 0.00 -2.04 0.00 0.00 64.05 59.55 2giw n THR 19 Cb 0.44 -2.52 -0.04 0.00 -1.82 0.00 0.00 70.33 66.40 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 2.51 3.76 0.00 12.58 0.11 -1.26 -3.89 120.40 134.22 2giw s VAL 20 Ca 0.62 -1.22 0.00 0.00 -2.93 0.00 0.00 61.98 58.46 2giw s VAL 20 Cb 0.16 -4.78 0.00 0.00 -1.53 0.00 0.00 36.38 30.23 2giw s VAL 20 CO -0.05 -1.41 0.00 1.21 -3.33 0.00 0.00 175.10 171.51 2giw n GLU 21 N 8.41 0.00 -2.75 1.54 2.13 -1.26 -4.96 120.64 123.74 2giw n GLU 21 Ca 0.45 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 58.23 2giw n GLU 21 Cb 0.47 -0.28 0.05 0.00 0.27 0.00 0.00 31.44 31.95 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 -1.83 1.45 -3.46 5.31 2.85 -1.25 -5.04 118.16 116.19 2giw n LYS 22 Ca 0.00 -3.12 -0.18 0.00 -1.05 0.00 0.00 58.31 53.96 2giw n LYS 22 Cb 0.00 -1.21 0.02 0.00 -0.65 0.00 0.00 35.03 33.19 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 -0.48 -1.17 0.00 2.58 0.00 -1.26 -5.00 105.19 99.86 2giw n GLY 23 Ca 0.05 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -1.66 -0.13 3.26 -0.02 0.00 -1.25 -5.08 105.19 100.32 2giw n GLY 24 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 1.08 -0.65 1.61 -0.14 -1.26 -5.07 119.74 115.31 2giw s LYS 25 Ca 0.00 -1.31 0.04 0.00 -1.36 0.00 0.00 55.97 53.34 2giw s LYS 25 Cb 0.00 0.32 0.34 0.00 -1.68 0.00 0.00 37.83 36.81 2giw s LYS 25 CO 0.00 -0.36 1.08 0.72 -0.76 0.00 0.00 175.35 176.03 2giw n HIS 26 N -0.18 3.88 0.00 3.18 8.25 -1.26 -4.22 115.22 124.87 2giw n HIS 26 Ca -0.06 -3.79 0.00 0.00 -0.26 0.00 0.00 57.72 53.62 2giw n HIS 26 Cb 0.63 -0.59 0.00 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.22 0.00 0.00 -0.41 4.76 -1.26 -4.59 118.16 116.43 2giw n LYS 27 Ca 0.33 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.77 2giw n LYS 27 Cb 0.37 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.56 2giw n LYS 27 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2giw n THR 28 N 0.00 0.00 0.00 -0.18 -1.04 -1.26 -4.77 114.28 107.03 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 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.34 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 0.30 2.37 3.78 3.41 0.00 -1.17 -4.85 105.19 109.03 2giw n GLY 29 Ca 0.00 0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.51 4.51 -0.13 1.61 0.04 -1.26 -4.33 135.00 134.93 2giw s PRO 30 Ca 0.00 1.39 -0.35 0.00 0.04 0.00 0.00 61.00 62.08 2giw s PRO 30 Cb 0.00 -2.77 -0.12 0.00 0.04 0.00 0.00 34.50 31.65 2giw s PRO 30 CO 0.00 0.20 1.90 0.27 0.04 0.00 0.00 177.00 179.41 2giw n ASN 31 N 0.47 3.25 -1.62 6.66 6.94 -1.26 -4.78 115.26 124.92 2giw n ASN 31 Ca 0.02 0.93 -0.02 0.00 -0.02 0.00 0.00 54.58 55.49 2giw n ASN 31 Cb 0.50 -1.34 -0.03 0.00 -2.36 0.00 0.00 39.78 36.55 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 6.87 5.02 -3.37 -4.53 4.77 -1.26 -4.74 117.00 119.77 2giw n LEU 32 Ca 0.24 -2.41 -0.35 0.00 -0.03 0.00 0.00 56.01 53.47 2giw n LEU 32 Cb 0.28 -1.11 -0.02 0.00 -2.33 0.00 0.00 43.42 40.23 2giw n LEU 32 CO 0.74 1.06 2.86 0.00 -1.33 0.00 0.00 177.39 180.72 2giw n HIS 33 N 1.71 2.24 0.00 -1.77 1.44 -1.26 -4.20 115.22 113.37 2giw n HIS 33 Ca 0.07 -2.61 0.00 0.00 -2.01 0.00 0.00 57.72 53.17 2giw n HIS 33 Cb 0.54 -2.18 0.00 0.00 0.12 0.00 0.00 29.99 28.47 2giw n HIS 33 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2giw n GLY 34 N 3.81 1.83 0.76 -1.39 0.00 -1.26 -4.98 105.19 103.96 2giw n GLY 34 Ca 0.61 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 0.95 -4.59 0.99 7.99 -1.26 -4.64 117.00 116.44 2giw n LEU 35 Ca 0.00 0.15 -0.42 0.00 -0.01 0.00 0.00 56.01 55.72 2giw n LEU 35 Cb 0.00 -0.34 -0.03 0.00 -0.11 0.00 0.00 43.42 42.94 2giw n LEU 35 CO 0.00 -0.21 1.42 -0.36 -1.51 0.00 0.00 177.39 176.74 2giw s PHE 36 N -2.21 2.02 0.00 -1.77 0.40 -1.23 -0.55 117.98 114.64 2giw s PHE 36 Ca -0.10 0.65 0.00 0.00 -0.60 0.00 0.00 56.93 56.88 2giw s PHE 36 Cb 0.03 -4.21 0.00 0.00 0.51 0.00 0.00 43.02 39.35 2giw s PHE 36 CO 0.14 -2.48 0.00 0.41 0.70 0.00 0.00 175.22 173.99 2giw n GLY 37 N 5.34 0.13 3.60 4.36 0.00 -0.60 -5.03 105.19 112.99 2giw n GLY 37 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 2giw n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2giw s ARG 38 N -0.95 3.56 -0.64 1.61 6.06 0.28 -4.92 118.95 123.94 2giw s ARG 38 Ca 0.00 0.79 -0.28 0.00 -2.50 0.00 0.00 55.73 53.74 2giw s ARG 38 Cb 0.00 -4.02 -0.12 0.00 0.06 0.00 0.00 34.95 30.87 2giw s ARG 38 CO 0.00 -1.59 2.50 0.36 -2.50 0.00 0.00 175.30 174.07 2giw n LYS 39 N 8.13 0.72 -1.16 5.12 2.85 -1.26 -3.22 118.16 129.34 2giw n LYS 39 Ca 0.15 0.01 -0.29 0.00 -1.05 0.00 0.00 58.31 57.13 2giw n LYS 39 Cb 0.48 -2.79 0.21 0.00 -0.65 0.00 0.00 35.03 32.28 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 11.00 1.82 -0.49 0.58 2.01 0.27 -4.26 115.64 126.56 2giw s THR 40 Ca 1.11 0.00 0.00 0.00 0.31 0.00 0.00 61.69 63.11 2giw s THR 40 Cb -0.55 -2.51 0.00 0.00 0.01 0.00 0.00 72.50 69.45 2giw s THR 40 CO 0.34 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.88 2giw n GLY 41 N -1.13 0.35 0.00 4.40 0.00 -1.26 -3.98 105.19 103.56 2giw n GLY 41 Ca 0.09 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2giw n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2giw n GLN 42 N -1.93 0.00 -1.69 1.61 7.27 -1.26 -4.79 117.38 116.59 2giw n GLN 42 Ca -0.06 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.01 2giw n GLN 42 Cb 0.43 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 33.08 2giw n GLN 42 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2giw n ALA 43 N -2.85 -2.53 1.22 1.69 0.00 -1.26 -4.71 120.51 112.08 2giw n ALA 43 Ca 0.00 0.27 0.14 0.00 0.00 0.00 0.00 53.44 53.86 2giw n ALA 43 Cb 0.00 -0.79 0.68 0.00 0.00 0.00 0.00 19.45 19.34 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 0.92 0.23 0.00 0.00 -0.04 -1.26 -4.54 135.00 130.32 2giw n PRO 44 Ca -0.01 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2giw n PRO 44 Cb 0.01 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 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 1.39 0.25 3.64 0.55 0.00 -1.26 -5.04 105.19 104.71 2giw n GLY 45 Ca 0.11 0.00 -0.35 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 0.00 3.27 0.53 1.61 2.19 -1.26 -5.11 117.98 119.20 2giw s PHE 46 Ca 0.00 0.10 0.04 0.00 0.33 0.00 0.00 56.93 57.40 2giw s PHE 46 Cb 0.00 -2.12 0.02 0.00 -1.31 0.00 0.00 43.02 39.61 2giw s PHE 46 CO 0.00 0.13 0.29 -0.08 1.83 0.00 0.00 175.22 177.39 2giw s THR 47 N 0.52 1.59 0.46 0.12 -1.32 -1.26 -4.74 115.64 111.00 2giw s THR 47 Ca 0.04 -1.63 0.02 0.00 -1.21 0.00 0.00 61.69 58.92 2giw s THR 47 Cb -0.12 -2.22 -0.01 0.00 -1.51 0.00 0.00 72.50 68.64 2giw s THR 47 CO 0.01 0.00 0.08 0.00 -2.21 0.00 0.00 174.62 172.50 2giw n TYR 48 N -1.60 0.60 -1.69 9.09 4.11 -1.26 -5.11 117.16 121.30 2giw n TYR 48 Ca -0.06 -2.58 -0.41 0.00 -0.00 0.00 0.00 57.90 54.85 2giw n TYR 48 Cb 0.65 -0.15 0.01 0.00 -0.00 0.00 0.00 39.34 39.85 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 -1.08 2.66 -0.34 -3.48 -2.24 -1.26 -4.45 114.28 104.10 2giw n THR 49 Ca -0.13 -0.50 0.22 0.00 -2.27 0.00 0.00 64.05 61.37 2giw n THR 49 Cb 0.63 -1.51 0.45 0.00 -2.10 0.00 0.00 70.33 67.79 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 1.94 0.53 -0.60 3.42 5.19 -1.97 0.37 116.42 125.30 2giw h ASP 50 Ca -0.48 0.18 0.02 0.00 -0.62 0.00 0.00 57.03 56.13 2giw h ASP 50 Cb 1.30 0.12 -0.03 0.00 0.18 0.00 0.00 39.33 40.90 2giw h ASP 50 CO 0.59 -0.09 0.40 0.00 -3.12 0.00 0.00 179.24 177.03 2giw h ALA 51 N 1.82 1.61 0.00 3.45 0.00 -1.91 0.38 119.26 124.62 2giw h ALA 51 Ca 0.71 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.58 2giw h ALA 51 Cb 1.56 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2giw h ALA 51 CO -0.58 0.34 -0.03 -0.97 0.00 0.00 0.00 179.25 178.01 2giw h ASN 52 N 0.77 0.00 0.49 0.00 -0.73 -0.74 -3.37 115.58 112.01 2giw h ASN 52 Ca 0.23 -0.83 -0.01 0.00 1.87 0.00 0.00 56.30 57.56 2giw h ASN 52 Cb -0.02 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.57 2giw h ASN 52 CO -0.06 0.93 -0.03 0.50 -0.37 0.00 0.00 177.43 178.40 2giw h LYS 53 N -1.00 0.00 0.00 6.67 3.11 -0.46 0.33 116.57 125.22 2giw h LYS 53 Ca -0.01 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.79 2giw h LYS 53 Cb 0.85 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.07 2giw h LYS 53 CO -0.00 0.03 -0.20 -0.97 -2.81 0.00 0.00 179.45 175.49 2giw h ASN 54 N 0.00 0.00 -0.23 4.20 -0.73 -0.42 -3.38 115.58 115.02 2giw h ASN 54 Ca -0.00 0.00 0.06 0.00 1.87 0.00 0.00 56.30 58.23 2giw h ASN 54 Cb 0.29 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 38.82 2giw h ASN 54 CO 0.00 0.20 -0.17 0.11 -0.37 0.00 0.00 177.43 177.21 2giw h LYS 55 N 0.00 -0.16 -3.35 6.67 1.79 -1.08 -3.47 116.57 116.97 2giw h LYS 55 Ca -0.00 0.01 -0.39 0.00 -2.18 0.00 0.00 60.65 58.09 2giw h LYS 55 Cb 1.03 0.04 0.01 0.00 -1.58 0.00 0.00 32.23 31.73 2giw h LYS 55 CO 0.03 -0.11 -0.53 0.41 -1.08 0.00 0.00 179.45 178.17 2giw n GLY 56 N -1.33 -0.44 0.00 3.86 0.00 -1.26 -4.97 105.19 101.05 2giw n GLY 56 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.07 -0.61 -5.35 -1.26 -4.76 119.36 101.12 2giw n ILE 57 Ca -0.18 0.00 0.05 0.00 -0.27 0.00 0.00 62.75 62.34 2giw n ILE 57 Cb 0.65 -1.78 0.09 0.00 -1.74 0.00 0.00 39.64 36.86 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 -1.63 0.82 -3.36 7.28 -1.04 -1.26 -0.57 114.28 114.52 2giw n THR 58 Ca 0.00 -1.68 0.00 0.00 -2.04 0.00 0.00 64.05 60.33 2giw n THR 58 Cb 0.00 0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 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 -0.19 0.00 -2.03 -1.42 7.02 -1.20 -1.55 117.44 118.07 2giw n TRP 59 Ca 0.10 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.30 2giw n TRP 59 Cb 0.92 0.00 0.06 0.00 -2.42 0.00 0.00 31.31 29.88 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 -4.22 2.41 0.23 -0.99 0.00 -1.26 -3.48 119.74 112.43 2giw s LYS 60 Ca 0.00 0.12 -0.15 0.00 0.00 0.00 0.00 55.97 55.94 2giw s LYS 60 Cb 0.00 -2.06 0.27 0.00 0.00 0.00 0.00 37.83 36.04 2giw s LYS 60 CO 0.00 -1.23 1.47 -1.91 0.00 0.00 0.00 175.35 173.68 2giw n GLU 61 N -3.04 -0.19 -0.30 1.78 2.13 -1.26 -0.77 120.64 118.98 2giw n GLU 61 Ca 0.07 1.46 0.00 0.00 0.66 0.00 0.00 57.16 59.35 2giw n GLU 61 Cb 0.59 -2.17 0.19 0.00 0.27 0.00 0.00 31.44 30.32 2giw n GLU 61 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2giw h GLU 62 N 0.00 1.13 0.19 5.31 5.08 -2.00 -1.29 114.58 123.00 2giw h GLU 62 Ca 0.35 -0.07 -0.31 0.00 -1.00 0.00 0.00 59.36 58.33 2giw h GLU 62 Cb 0.59 -0.25 0.02 0.00 0.50 0.00 0.00 28.75 29.60 2giw h GLU 62 CO -0.95 0.75 -1.50 1.79 -1.00 0.00 0.00 179.01 178.11 2giw h THR 63 N 1.16 1.12 -0.60 1.13 1.35 -1.64 -3.27 112.91 112.16 2giw h THR 63 Ca 0.34 -2.55 0.04 0.00 -0.55 0.00 0.00 66.41 63.69 2giw h THR 63 Cb -0.07 2.89 -0.04 0.00 -1.73 0.00 0.00 68.15 69.20 2giw h THR 63 CO -0.09 0.80 0.35 -0.07 -0.25 0.00 0.00 175.52 176.26 2giw h LEU 64 N -0.02 0.55 -0.15 3.87 3.38 -0.26 -0.75 115.31 121.93 2giw h LEU 64 Ca -0.29 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2giw h LEU 64 Cb 2.00 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 2giw h LEU 64 CO 0.18 0.37 0.10 0.24 0.09 0.00 0.00 178.44 179.42 2giw h MET 65 N 0.67 0.20 -0.25 1.13 2.86 -1.40 -0.24 114.93 117.91 2giw h MET 65 Ca 0.25 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.89 2giw h MET 65 Cb 0.08 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 2giw h MET 65 CO -0.13 0.16 0.14 1.49 1.06 0.00 0.00 176.91 179.63 2giw h GLU 66 N 0.19 0.28 0.48 1.72 4.81 -1.50 -0.51 114.58 120.05 2giw h GLU 66 Ca 0.06 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2giw h GLU 66 Cb 0.01 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2giw h GLU 66 CO -0.01 0.18 -0.23 -0.92 -0.73 0.00 0.00 179.01 177.30 2giw h TYR 67 N 0.29 -0.60 -0.75 0.92 3.20 -1.04 -0.59 116.97 118.40 2giw h TYR 67 Ca 0.10 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.98 2giw h TYR 67 Cb 0.00 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 2giw h TYR 67 CO -0.08 -0.34 0.49 -0.07 -1.64 0.00 0.00 178.16 176.52 2giw h LEU 68 N -0.71 0.80 0.71 2.82 -0.00 -0.91 0.32 115.31 118.33 2giw h LEU 68 Ca -0.07 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 57.77 2giw h LEU 68 Cb 0.53 -0.19 0.01 0.00 -0.00 0.00 0.00 40.66 41.01 2giw h LEU 68 CO 0.11 0.55 -0.34 -0.08 -0.00 0.00 0.00 178.44 178.68 2giw h GLU 69 N 0.93 -0.92 -2.91 1.13 4.81 -0.95 -3.41 114.58 113.25 2giw h GLU 69 Ca 0.30 0.06 -0.60 0.00 -0.13 0.00 0.00 59.36 58.98 2giw h GLU 69 Cb 0.03 0.21 -0.40 0.00 0.63 0.00 0.00 28.75 29.22 2giw h GLU 69 CO -0.08 -0.60 -0.76 0.54 -0.73 0.00 0.00 179.01 177.37 2giw s ASN 70 N -4.38 3.51 -0.03 1.04 4.22 -0.24 -4.77 114.94 114.29 2giw s ASN 70 Ca -0.17 -2.50 -0.25 0.00 -2.14 0.00 0.00 52.86 47.80 2giw s ASN 70 Cb 0.03 -0.89 -0.21 0.00 1.28 0.00 0.00 41.25 41.46 2giw s ASN 70 CO 0.59 -0.28 1.15 1.55 -2.04 0.00 0.00 177.10 178.08 2giw h PRO 71 N 6.83 0.11 0.00 3.55 0.13 -0.61 0.16 132.00 142.18 2giw h PRO 71 Ca 0.00 -0.09 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 2giw h PRO 71 Cb 0.94 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 2giw h PRO 71 CO 0.43 0.72 -0.18 -0.22 -0.23 0.00 0.00 178.00 178.52 2giw h LYS 72 N -0.46 0.00 0.02 0.86 1.63 -1.85 -0.62 116.57 116.14 2giw h LYS 72 Ca -0.00 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.64 2giw h LYS 72 Cb 0.73 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.34 2giw h LYS 72 CO 0.02 0.18 -0.82 -0.22 -3.45 0.00 0.00 179.45 175.16 2giw h LYS 73 N 0.00 0.04 -0.46 1.90 3.11 -1.93 -2.89 116.57 116.34 2giw h LYS 73 Ca -0.00 -0.07 0.09 0.00 -2.81 0.00 0.00 60.65 57.86 2giw h LYS 73 Cb 0.47 0.02 -0.08 0.00 -1.00 0.00 0.00 32.23 31.64 2giw h LYS 73 CO 0.02 1.03 -0.06 -0.92 -2.81 0.00 0.00 179.45 176.72 2giw h TYR 74 N -0.89 -0.13 -3.12 1.91 3.20 -0.82 -3.35 116.97 113.76 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 1.27 0.13 -0.40 0.00 1.54 0.00 0.00 36.73 39.26 2giw h TYR 74 CO 0.17 -0.15 -0.74 0.42 -1.64 0.00 0.00 178.16 176.22 2giw s ILE 75 N -6.20 1.31 -0.95 1.81 1.01 -0.25 -5.07 121.20 112.87 2giw s ILE 75 Ca -0.14 -2.12 -0.24 0.00 0.00 0.00 0.00 60.65 58.15 2giw s ILE 75 Cb 0.15 -1.95 -0.05 0.00 0.01 0.00 0.00 42.46 40.62 2giw s ILE 75 CO 0.72 -0.78 1.93 -2.16 0.00 0.00 0.00 174.94 174.64 2giw s PRO 76 N 0.86 2.58 0.00 2.79 0.04 -1.09 -1.83 135.00 138.34 2giw s PRO 76 Ca 0.14 -0.45 0.00 0.00 0.04 0.00 0.00 61.00 60.73 2giw s PRO 76 Cb -0.21 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 29.23 2giw s PRO 76 CO -0.10 -3.44 0.00 0.41 0.04 0.00 0.00 177.00 173.91 2giw n GLY 77 N 6.69 0.74 3.63 0.56 0.00 -1.26 -4.92 105.19 110.63 2giw n GLY 77 Ca 0.41 -0.02 -0.48 0.00 0.00 0.00 0.00 46.02 45.92 2giw n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2giw n THR 78 N 0.00 0.13 -0.28 2.61 5.66 -0.76 -4.84 114.28 116.80 2giw n THR 78 Ca 0.00 -0.03 -0.11 0.00 -3.05 0.00 0.00 64.05 60.85 2giw n THR 78 Cb 0.00 -1.23 0.06 0.00 -1.55 0.00 0.00 70.33 67.61 2giw n THR 78 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2giw n LYS 79 N 2.87 1.58 0.09 1.09 5.02 -1.26 -4.41 118.16 123.13 2giw n LYS 79 Ca 0.17 -1.26 -0.12 0.00 -2.02 0.00 0.00 58.31 55.08 2giw n LYS 79 Cb 0.25 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.67 2giw n LYS 79 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 2giw h MET 80 N 0.81 0.21 -6.19 1.97 4.05 -1.92 -3.49 114.93 110.39 2giw h MET 80 Ca 0.25 -0.32 -0.39 0.00 -0.28 0.00 0.00 59.70 58.96 2giw h MET 80 Cb 1.41 0.11 0.07 0.00 -0.80 0.00 0.00 31.60 32.39 2giw h MET 80 CO 0.53 1.11 -0.86 -0.89 0.23 0.00 0.00 176.91 177.02 2giw n ILE 81 N -3.54 -6.06 -4.06 1.77 2.08 -1.26 -5.00 119.36 103.28 2giw n ILE 81 Ca -0.06 -0.79 -0.10 0.00 0.56 0.00 0.00 62.75 62.36 2giw n ILE 81 Cb 0.94 -4.48 -0.07 0.00 -0.75 0.00 0.00 39.64 35.28 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 -3.36 0.65 0.00 1.39 5.36 -1.26 -5.08 117.98 115.68 2giw s PHE 82 Ca 0.38 -0.97 0.00 0.00 -0.96 0.00 0.00 56.93 55.38 2giw s PHE 82 Cb -0.13 -0.13 0.00 0.00 -0.34 0.00 0.00 43.02 42.41 2giw s PHE 82 CO 0.85 -0.80 0.00 0.00 -1.46 0.00 0.00 175.22 173.81 2giw n ALA 83 N -0.30 0.30 -3.51 11.12 0.00 -1.26 -4.63 120.51 122.22 2giw n ALA 83 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.34 2giw n ALA 83 Cb 0.64 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.07 2giw n ALA 83 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2giw s GLY 84 N -1.74 -0.44 0.00 0.00 0.00 -1.26 -4.74 107.32 99.14 2giw s GLY 84 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 44.72 45.82 2giw s GLY 84 CO 0.00 0.37 0.00 4.51 0.00 0.00 0.00 173.10 177.98 2giw n ILE 85 N -0.22 0.00 0.00 0.90 3.06 -1.26 -5.10 119.36 116.75 2giw n ILE 85 Ca -0.08 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.17 2giw n ILE 85 Cb 0.61 -0.53 0.00 0.00 0.54 0.00 0.00 39.64 40.27 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 -2.28 0.00 -3.16 9.51 4.76 -1.26 -5.07 118.16 120.66 2giw n LYS 86 Ca 0.00 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.47 2giw n LYS 86 Cb 0.27 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.45 2giw n LYS 86 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2giw s LYS 87 N 2.46 0.55 0.00 1.97 2.20 -1.26 -4.94 119.74 120.72 2giw s LYS 87 Ca 0.00 0.63 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 2giw s LYS 87 Cb 0.00 0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 2giw s LYS 87 CO 0.00 -0.95 0.00 1.17 -0.36 0.00 0.00 175.35 175.21 2giw n LYS 88 N 5.42 0.00 -0.24 4.03 0.00 -1.26 -4.31 118.16 121.80 2giw n LYS 88 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.29 2giw n LYS 88 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.51 2giw n LYS 88 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2giw n THR 89 N 0.00 -0.38 -0.27 3.15 -2.24 -1.26 -0.11 114.28 113.17 2giw n THR 89 Ca 0.00 1.40 0.03 0.00 -2.27 0.00 0.00 64.05 63.21 2giw n THR 89 Cb 0.00 -1.74 0.08 0.00 -2.10 0.00 0.00 70.33 66.57 2giw n THR 89 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2giw n GLU 90 N -4.74 -0.10 0.15 -0.78 0.28 -1.26 -0.28 120.64 113.91 2giw n GLU 90 Ca 0.02 1.15 0.08 0.00 -0.16 0.00 0.00 57.16 58.26 2giw n GLU 90 Cb 0.16 -1.72 0.58 0.00 1.43 0.00 0.00 31.44 31.89 2giw n GLU 90 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 2giw h ARG 91 N 0.00 0.16 0.00 3.44 9.65 -0.87 -0.10 114.38 126.66 2giw h ARG 91 Ca 0.33 -0.01 -0.23 0.00 -1.10 0.00 0.00 59.98 58.97 2giw h ARG 91 Cb 0.52 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.02 2giw h ARG 91 CO -0.76 0.11 -2.05 -1.91 2.80 0.00 0.00 179.97 178.15 2giw n GLU 92 N -4.50 1.11 0.19 0.20 4.07 0.13 -3.98 120.64 117.85 2giw n GLU 92 Ca 0.00 -0.05 -0.08 0.00 -0.06 0.00 0.00 57.16 56.98 2giw n GLU 92 Cb 0.15 -1.42 -0.04 0.00 -0.06 0.00 0.00 31.44 30.06 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 -0.45 -0.83 4.31 3.32 -0.17 0.42 116.42 123.01 2giw h ASP 93 Ca -0.34 0.02 0.07 0.00 0.02 0.00 0.00 57.03 56.80 2giw h ASP 93 Cb 1.72 0.12 -0.06 0.00 0.22 0.00 0.00 39.33 41.32 2giw h ASP 93 CO 0.02 -0.13 0.50 -0.07 -1.72 0.00 0.00 179.24 177.85 2giw h LEU 94 N -0.92 0.77 -1.77 1.55 -0.00 -1.27 0.44 115.31 114.10 2giw h LEU 94 Ca -0.05 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 2giw h LEU 94 Cb 0.40 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.94 2giw h LEU 94 CO 0.09 0.47 0.00 -0.38 -0.00 0.00 0.00 178.44 178.62 2giw n ILE 95 N -4.67 0.92 -0.09 1.22 2.08 -1.25 -0.97 119.36 116.60 2giw n ILE 95 Ca 0.13 -0.53 -0.17 0.00 0.56 0.00 0.00 62.75 62.73 2giw n ILE 95 Cb 0.21 -0.20 -0.06 0.00 -0.75 0.00 0.00 39.64 38.84 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 0.31 1.59 -0.13 -1.39 0.00 -0.04 -4.50 120.51 116.36 2giw n ALA 96 Ca 0.11 -0.76 -0.11 0.00 0.00 0.00 0.00 53.44 52.69 2giw n ALA 96 Cb 0.52 0.19 -0.06 0.00 0.00 0.00 0.00 19.45 20.10 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 -0.74 -1.37 0.00 0.00 3.20 -0.85 -0.70 116.97 116.51 2giw h TYR 97 Ca -0.36 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.58 2giw h TYR 97 Cb 1.24 0.65 0.00 0.00 1.54 0.00 0.00 36.73 40.16 2giw h TYR 97 CO -0.14 -0.46 0.00 -0.07 -1.64 0.00 0.00 178.16 175.85 2giw h LEU 98 N -0.35 0.00 -0.59 2.82 3.38 -1.32 0.13 115.31 119.39 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 -0.58 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.12 2giw n LYS 99 N -2.86 0.16 -0.00 1.13 4.81 -0.27 -1.43 118.16 119.70 2giw n LYS 99 Ca -0.01 0.40 -0.00 0.00 -0.87 0.00 0.00 58.31 57.83 2giw n LYS 99 Cb 0.15 -1.80 -0.01 0.00 0.02 0.00 0.00 35.03 33.38 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 -2.10 2.64 -0.12 1.64 -0.00 0.07 -4.59 118.16 115.71 2giw n LYS 100 Ca 0.02 -0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.39 2giw n LYS 100 Cb 0.21 -1.03 0.39 0.00 -0.00 0.00 0.00 35.03 34.61 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 0.07 1.75 0.00 0.58 0.00 -0.71 0.31 119.26 121.25 2giw h ALA 101 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2giw h ALA 101 Cb 0.75 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2giw h ALA 101 CO 0.00 0.17 0.00 -2.37 0.00 0.00 0.00 179.25 177.05 2giw n THR 102 N -4.47 1.06 0.00 0.00 5.66 -0.51 -3.72 114.28 112.30 2giw n THR 102 Ca 0.08 0.26 0.00 0.00 -3.05 0.00 0.00 64.05 61.35 2giw n THR 102 Cb 0.19 -1.17 0.00 0.00 -1.55 0.00 0.00 70.33 67.81 2giw n THR 102 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2giw n ASN 103 N -1.33 2.54 0.00 1.09 5.15 0.17 -4.13 115.26 118.76 2giw n ASN 103 Ca 0.02 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.09 2giw n ASN 103 Cb 0.05 0.08 0.50 0.00 -0.53 0.00 0.00 39.78 39.87 2giw n ASN 103 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82