#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 0.01 1.61 8.00 -1.26 -4.73 116.55 120.18 2giw n ASP 2 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2giw n ASP 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2giw n ASP 2 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 2giw n VAL 3 N 0.00 0.00 -0.03 2.53 3.14 -1.26 -4.60 118.33 118.11 2giw n VAL 3 Ca 0.00 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.26 2giw n VAL 3 Cb 0.00 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 32.71 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 0.17 -0.89 1.45 4.39 -1.95 -2.47 114.58 115.27 2giw h GLU 4 Ca 0.00 -0.05 0.14 0.00 0.34 0.00 0.00 59.36 59.79 2giw h GLU 4 Cb 0.00 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.56 2giw h GLU 4 CO 0.00 0.41 0.58 0.87 -1.16 0.00 0.00 179.01 179.71 2giw h LYS 5 N -0.10 0.70 -0.33 2.33 1.57 -1.93 0.55 116.57 119.36 2giw h LYS 5 Ca 0.03 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2giw h LYS 5 Cb 0.33 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2giw h LYS 5 CO 0.00 0.46 0.18 0.78 -0.57 0.00 0.00 179.45 180.30 2giw h GLY 6 N 0.72 0.45 1.25 3.86 0.00 -1.61 0.02 103.07 107.77 2giw h GLY 6 Ca 0.45 -0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.56 2giw h GLY 6 CO -0.21 0.11 -0.03 0.07 0.00 0.00 0.00 176.54 176.48 2giw h LYS 7 N 0.37 0.89 -0.04 4.80 2.10 -0.70 0.13 116.57 124.13 2giw h LYS 7 Ca 0.13 -0.27 -0.00 0.00 -2.00 0.00 0.00 60.65 58.51 2giw h LYS 7 Cb 0.02 -0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 31.27 2giw h LYS 7 CO -0.08 0.91 0.00 -0.22 -2.00 0.00 0.00 179.45 178.07 2giw h LYS 8 N 0.82 0.06 -0.09 0.07 1.63 -0.51 -0.20 116.57 118.35 2giw h LYS 8 Ca 0.15 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.88 2giw h LYS 8 Cb 0.53 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.16 2giw h LYS 8 CO 0.03 0.32 -0.15 0.82 -3.45 0.00 0.00 179.45 177.02 2giw h ILE 9 N -0.20 1.39 -0.22 2.00 2.04 -0.92 -0.66 117.51 120.93 2giw h ILE 9 Ca 0.01 -1.40 0.02 0.00 1.00 0.00 0.00 64.86 64.49 2giw h ILE 9 Cb 0.29 2.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 2giw h ILE 9 CO 0.00 0.40 -0.21 0.15 0.00 0.00 0.00 178.15 178.49 2giw h PHE 10 N -0.17 -0.64 -0.96 1.37 3.57 -0.75 -1.63 116.94 117.73 2giw h PHE 10 Ca 0.01 0.04 0.17 0.00 3.53 0.00 0.00 57.97 61.72 2giw h PHE 10 Cb 0.71 0.31 -0.09 0.00 2.79 0.00 0.00 35.95 39.68 2giw h PHE 10 CO 0.10 -0.16 0.61 0.28 -2.23 0.00 0.00 178.31 176.91 2giw h VAL 11 N -0.09 0.76 -0.86 1.41 2.07 -0.91 0.52 116.25 119.15 2giw h VAL 11 Ca 0.04 -0.24 0.17 0.00 0.82 0.00 0.00 66.70 67.49 2giw h VAL 11 Cb 0.19 -0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 29.89 2giw h VAL 11 CO -0.26 0.13 0.57 -0.61 0.02 0.00 0.00 177.57 177.42 2giw h GLN 12 N 0.71 0.46 0.00 1.57 4.15 -0.14 -3.26 115.11 118.61 2giw h GLN 12 Ca 0.51 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.91 2giw h GLN 12 Cb 0.86 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.44 2giw h GLN 12 CO -0.28 0.31 0.00 0.36 -1.93 0.00 0.00 178.83 177.29 2giw n LYS 13 N -4.52 1.09 -0.02 1.69 0.00 0.06 -4.90 118.16 111.56 2giw n LYS 13 Ca 0.18 -0.08 -0.03 0.00 -0.00 0.00 0.00 58.31 58.37 2giw n LYS 13 Cb 0.60 -0.41 -0.02 0.00 -0.00 0.00 0.00 35.03 35.19 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 0.01 2.26 -1.18 0.00 0.00 -1.59 0.86 119.26 119.62 2giw h ALA 15 Ca -0.11 -0.01 0.36 0.00 0.00 0.00 0.00 54.91 55.15 2giw h ALA 15 Cb 1.17 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 2giw h ALA 15 CO -0.02 -0.50 0.75 -0.56 0.00 0.00 0.00 179.25 178.93 2giw h GLN 16 N 0.00 0.21 0.00 0.00 3.07 -1.84 -2.43 115.11 114.12 2giw h GLN 16 Ca 0.18 -0.01 -0.16 0.00 0.09 0.00 0.00 58.65 58.74 2giw h GLN 16 Cb 0.79 -0.05 -0.03 0.00 0.08 0.00 0.00 27.48 28.27 2giw h GLN 16 CO -0.00 0.14 -1.72 0.00 0.09 0.00 0.00 178.83 177.33 2giw n HIS 18 N -2.32 0.57 -1.22 0.00 8.25 0.03 -3.59 115.22 116.93 2giw n HIS 18 Ca -0.15 -3.67 -0.28 0.00 -0.26 0.00 0.00 57.72 53.37 2giw n HIS 18 Cb 0.76 -0.13 -0.09 0.00 1.12 0.00 0.00 29.99 31.65 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 2.17 3.80 -1.00 1.59 -1.04 -1.18 -4.05 114.28 114.58 2giw n THR 19 Ca 0.26 -2.25 -0.32 0.00 -2.04 0.00 0.00 64.05 59.71 2giw n THR 19 Cb 0.45 -2.31 -0.03 0.00 -1.82 0.00 0.00 70.33 66.63 2giw n THR 19 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2giw n VAL 20 N 2.96 2.54 0.00 12.58 3.14 -1.26 -3.30 118.33 134.98 2giw n VAL 20 Ca 0.63 -1.74 0.00 0.00 -2.96 0.00 0.00 64.34 60.27 2giw n VAL 20 Cb 0.52 -2.28 0.00 0.00 -1.06 0.00 0.00 33.84 31.02 2giw n VAL 20 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2giw n GLU 21 N 5.11 0.00 -3.82 1.45 2.13 -1.26 -4.97 120.64 119.28 2giw n GLU 21 Ca 0.50 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 58.27 2giw n GLU 21 Cb 0.24 -0.16 -0.00 0.00 0.27 0.00 0.00 31.44 31.79 2giw n GLU 21 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2giw s LYS 22 N -1.62 1.59 0.00 5.31 -2.85 -1.21 -5.00 119.74 115.96 2giw s LYS 22 Ca 0.00 -0.95 0.00 0.00 -1.00 0.00 0.00 55.97 54.02 2giw s LYS 22 Cb 0.00 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 2giw s LYS 22 CO 0.00 -0.73 0.00 0.41 0.10 0.00 0.00 175.35 175.13 2giw n GLY 23 N -0.53 1.76 0.98 0.59 0.00 -1.26 -4.80 105.19 101.94 2giw n GLY 23 Ca -0.05 -0.02 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 -3.56 3.42 -0.02 0.00 -1.26 -5.11 105.19 98.66 2giw n GLY 24 Ca 0.00 -0.58 -0.08 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.20 0.48 -0.70 1.61 2.36 -1.26 -5.07 119.74 114.96 2giw s LYS 25 Ca 0.00 1.05 -0.23 0.00 -2.55 0.00 0.00 55.97 54.24 2giw s LYS 25 Cb 0.00 0.22 0.07 0.00 -1.05 0.00 0.00 37.83 37.07 2giw s LYS 25 CO 0.00 -0.18 1.04 -1.01 1.55 0.00 0.00 175.35 176.75 2giw s HIS 26 N 1.94 2.64 -0.28 4.03 3.76 -1.26 -3.93 115.29 122.18 2giw s HIS 26 Ca -0.07 -0.55 -0.04 0.00 -0.15 0.00 0.00 55.06 54.25 2giw s HIS 26 Cb -0.09 -4.36 0.10 0.00 1.11 0.00 0.00 32.58 29.34 2giw s HIS 26 CO -0.15 -1.72 0.15 0.21 -0.85 0.00 0.00 174.74 172.38 2giw s LYS 27 N 4.25 0.20 -1.63 1.40 2.20 -1.26 -4.86 119.74 120.03 2giw s LYS 27 Ca 0.26 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.41 2giw s LYS 27 Cb -0.14 -1.13 0.00 0.00 -1.51 0.00 0.00 37.83 35.05 2giw s LYS 27 CO 0.09 -1.00 0.00 2.41 -0.36 0.00 0.00 175.35 176.48 2giw n THR 28 N 5.26 -0.59 0.00 3.43 -1.04 -1.26 -4.56 114.28 115.52 2giw n THR 28 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 2giw n THR 28 Cb 0.43 -2.36 0.00 0.00 -1.82 0.00 0.00 70.33 66.58 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 -0.95 2.94 3.79 3.41 0.00 -1.24 -4.80 105.19 108.35 2giw n GLY 29 Ca -0.20 0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.36 3.82 0.06 1.61 0.05 -1.26 -4.35 135.00 134.55 2giw s PRO 30 Ca 0.00 1.41 -0.32 0.00 0.05 0.00 0.00 61.00 62.15 2giw s PRO 30 Cb 0.00 -2.16 -0.11 0.00 0.05 0.00 0.00 34.50 32.28 2giw s PRO 30 CO 0.00 -0.42 1.86 -1.71 0.05 0.00 0.00 177.00 176.77 2giw n ASN 31 N -0.85 3.84 -2.46 6.66 5.15 -1.25 -4.71 115.26 121.63 2giw n ASN 31 Ca 0.09 0.97 -0.11 0.00 -0.60 0.00 0.00 54.58 54.93 2giw n ASN 31 Cb 0.52 -1.49 -0.08 0.00 -0.53 0.00 0.00 39.78 38.20 2giw n ASN 31 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2giw n LEU 32 N 6.10 3.55 -3.73 1.20 4.77 -1.26 -4.81 117.00 122.82 2giw n LEU 32 Ca 0.19 -2.28 -0.42 0.00 -0.03 0.00 0.00 56.01 53.48 2giw n LEU 32 Cb 0.35 -0.89 -0.00 0.00 -2.33 0.00 0.00 43.42 40.55 2giw n LEU 32 CO 0.68 0.74 2.58 1.57 -1.33 0.00 0.00 177.39 181.63 2giw n HIS 33 N 3.09 3.35 0.00 -1.77 -0.00 -1.26 -4.13 115.22 114.50 2giw n HIS 33 Ca 0.30 -2.95 0.00 0.00 0.46 0.00 0.00 57.72 55.54 2giw n HIS 33 Cb 0.43 -2.43 0.00 0.00 -0.12 0.00 0.00 29.99 27.87 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 3.78 0.86 0.09 1.57 0.00 -1.26 -5.05 105.19 105.18 2giw n GLY 34 Ca 0.51 -0.81 -0.03 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 -0.21 -8.98 0.99 -0.00 -1.91 -3.38 115.31 101.82 2giw h LEU 35 Ca 0.00 0.01 -0.65 0.00 -0.00 0.00 0.00 57.88 57.24 2giw h LEU 35 Cb 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.72 2giw h LEU 35 CO 0.00 -0.13 1.23 0.49 -0.00 0.00 0.00 178.44 180.03 2giw n PHE 36 N -2.68 2.01 -0.08 1.13 3.72 -1.25 -0.36 117.46 119.95 2giw n PHE 36 Ca -0.03 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 2giw n PHE 36 Cb 0.09 -2.60 0.00 0.00 -0.94 0.00 0.00 39.48 36.02 2giw n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2giw n GLY 37 N 5.26 0.54 3.69 1.37 0.00 -0.96 -5.06 105.19 110.02 2giw n GLY 37 Ca 0.30 0.00 -0.41 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 -0.84 4.40 -0.27 1.61 6.06 0.51 -4.99 118.95 125.44 2giw s ARG 38 Ca 0.00 1.15 -0.30 0.00 -2.50 0.00 0.00 55.73 54.08 2giw s ARG 38 Cb 0.00 -3.52 -0.07 0.00 0.06 0.00 0.00 34.95 31.42 2giw s ARG 38 CO 0.00 -0.20 2.23 0.36 -2.50 0.00 0.00 175.30 175.18 2giw n LYS 39 N 4.68 1.67 -1.40 5.12 2.85 -1.26 -3.71 118.16 126.10 2giw n LYS 39 Ca 0.05 0.44 -0.29 0.00 -1.05 0.00 0.00 58.31 57.46 2giw n LYS 39 Cb 0.50 -3.02 0.18 0.00 -0.65 0.00 0.00 35.03 32.03 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 8.22 1.91 0.00 0.58 2.01 0.07 -4.45 115.64 123.97 2giw s THR 40 Ca 1.04 0.00 0.00 0.00 0.31 0.00 0.00 61.69 63.04 2giw s THR 40 Cb -0.48 -2.67 0.00 0.00 0.01 0.00 0.00 72.50 69.36 2giw s THR 40 CO 0.39 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 2giw n GLY 41 N -1.88 0.71 1.16 4.40 0.00 -1.26 -3.97 105.19 104.36 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 -1.40 0.00 -1.78 1.61 0.00 -1.26 -4.79 117.38 109.76 2giw n GLN 42 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2giw n GLN 42 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.53 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 -1.89 -2.11 -1.75 1.69 0.00 -1.26 -3.91 120.51 111.28 2giw n ALA 43 Ca 0.00 0.44 -0.42 0.00 0.00 0.00 0.00 53.44 53.46 2giw n ALA 43 Cb 0.00 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.05 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 0.74 2.62 0.00 0.00 -0.04 -1.26 -3.79 135.00 133.26 2giw n PRO 44 Ca 0.00 -2.55 0.00 0.00 -0.04 0.00 0.00 63.50 60.91 2giw n PRO 44 Cb 0.00 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.19 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 4.40 1.22 2.92 0.55 0.00 -1.26 -5.11 105.19 107.90 2giw n GLY 45 Ca 0.51 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 46.36 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 0.19 0.49 1.61 2.19 -1.25 -5.12 117.98 116.09 2giw s PHE 46 Ca 0.00 -0.14 0.02 0.00 0.33 0.00 0.00 56.93 57.14 2giw s PHE 46 Cb 0.00 -0.13 -0.02 0.00 -1.31 0.00 0.00 43.02 41.57 2giw s PHE 46 CO 0.00 -0.04 0.03 -0.08 1.83 0.00 0.00 175.22 176.96 2giw s THR 47 N -0.36 1.05 0.00 0.12 -1.32 -1.25 -4.39 115.64 109.49 2giw s THR 47 Ca -0.03 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.45 2giw s THR 47 Cb -0.03 -2.21 0.00 0.00 -1.51 0.00 0.00 72.50 68.75 2giw s THR 47 CO -0.00 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.41 2giw n TYR 48 N -1.19 0.00 -1.30 9.09 4.11 -1.26 -5.11 117.16 121.50 2giw n TYR 48 Ca -0.16 0.00 -0.35 0.00 -0.00 0.00 0.00 57.90 57.39 2giw n TYR 48 Cb 0.67 0.00 0.11 0.00 -0.00 0.00 0.00 39.34 40.11 2giw n TYR 48 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 2giw n THR 49 N 0.00 2.84 -0.17 -3.48 -2.24 -1.26 -4.66 114.28 105.31 2giw n THR 49 Ca 0.00 -0.31 -0.04 0.00 -2.27 0.00 0.00 64.05 61.43 2giw n THR 49 Cb 0.00 -1.23 0.03 0.00 -2.10 0.00 0.00 70.33 67.03 2giw n THR 49 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2giw h ASP 50 N -0.44 -0.81 -0.88 3.42 2.03 -1.97 0.48 116.42 118.25 2giw h ASP 50 Ca -0.47 0.19 0.09 0.00 -0.73 0.00 0.00 57.03 56.10 2giw h ASP 50 Cb 1.32 0.44 -0.06 0.00 -0.83 0.00 0.00 39.33 40.20 2giw h ASP 50 CO 0.47 -0.25 0.57 0.00 -1.03 0.00 0.00 179.24 179.00 2giw h ALA 51 N 1.24 1.63 0.00 4.15 0.00 -1.88 0.38 119.26 124.77 2giw h ALA 51 Ca 0.24 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 2giw h ALA 51 Cb 0.49 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2giw h ALA 51 CO -0.60 0.20 -0.93 -0.97 0.00 0.00 0.00 179.25 176.95 2giw h ASN 52 N 0.89 0.00 0.50 0.00 -0.00 -1.52 -3.31 115.58 112.14 2giw h ASN 52 Ca 0.40 0.00 -0.30 0.00 -0.00 0.00 0.00 56.30 56.40 2giw h ASN 52 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.69 2giw h ASN 52 CO -0.16 0.37 -1.42 0.50 -0.00 0.00 0.00 177.43 176.71 2giw h LYS 53 N 0.00 0.28 -0.48 6.67 3.64 0.77 -3.32 116.57 124.14 2giw h LYS 53 Ca -0.07 -0.48 0.14 0.00 -1.27 0.00 0.00 60.65 58.97 2giw h LYS 53 Cb 1.34 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 33.32 2giw h LYS 53 CO 0.04 1.18 0.41 -0.97 -2.27 0.00 0.00 179.45 177.84 2giw h ASN 54 N 0.08 0.00 -0.43 4.20 -0.73 -0.36 -3.33 115.58 115.01 2giw h ASN 54 Ca -0.20 0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.01 2giw h ASN 54 Cb 2.01 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 40.52 2giw h ASN 54 CO 0.19 0.00 -0.50 0.11 -0.37 0.00 0.00 177.43 176.85 2giw h LYS 55 N 0.00 -0.30 -3.27 6.67 1.79 -1.71 -3.46 116.57 116.29 2giw h LYS 55 Ca 0.23 0.02 -0.28 0.00 -2.18 0.00 0.00 60.65 58.44 2giw h LYS 55 Cb 1.05 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.73 2giw h LYS 55 CO -0.00 -0.20 -0.34 0.41 -1.08 0.00 0.00 179.45 178.24 2giw n GLY 56 N -1.32 -0.18 0.40 3.86 0.00 -1.25 -4.97 105.19 101.73 2giw n GLY 56 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.23 0.00 -1.07 -0.61 -5.35 -1.26 -4.74 119.36 103.09 2giw n ILE 57 Ca -0.16 -0.12 0.09 0.00 -0.27 0.00 0.00 62.75 62.29 2giw n ILE 57 Cb 0.60 -1.79 0.18 0.00 -1.74 0.00 0.00 39.64 36.89 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 -2.02 2.04 -3.27 7.28 -1.04 -1.26 -0.75 114.28 115.26 2giw n THR 58 Ca 0.02 -2.19 -0.12 0.00 -2.04 0.00 0.00 64.05 59.72 2giw n THR 58 Cb 0.06 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 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 -1.14 -0.70 -2.03 -1.42 5.03 -1.24 -2.26 117.44 113.67 2giw n TRP 59 Ca 0.18 0.23 -0.29 0.00 3.03 0.00 0.00 57.50 60.65 2giw n TRP 59 Cb 0.73 -1.06 0.06 0.00 -1.03 0.00 0.00 31.31 30.01 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 -4.00 2.53 0.26 -0.99 0.00 -1.26 -3.90 119.74 112.37 2giw s LYS 60 Ca 0.06 0.18 -0.05 0.00 0.00 0.00 0.00 55.97 56.16 2giw s LYS 60 Cb -0.03 -2.07 0.51 0.00 0.00 0.00 0.00 37.83 36.24 2giw s LYS 60 CO 0.36 -1.16 1.64 1.49 0.00 0.00 0.00 175.35 177.68 2giw h GLU 61 N -0.67 0.13 -0.46 1.78 4.81 -1.98 0.67 114.58 118.86 2giw h GLU 61 Ca -0.45 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 58.85 2giw h GLU 61 Cb 1.28 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.57 2giw h GLU 61 CO 0.63 0.08 0.05 0.93 -0.73 0.00 0.00 179.01 179.97 2giw h GLU 62 N 0.13 0.16 0.25 1.92 5.08 -2.00 0.75 114.58 120.88 2giw h GLU 62 Ca 0.45 -0.01 -0.34 0.00 -1.00 0.00 0.00 59.36 58.46 2giw h GLU 62 Cb 0.82 -0.04 0.04 0.00 0.50 0.00 0.00 28.75 30.08 2giw h GLU 62 CO -0.67 0.11 -1.50 1.79 -1.00 0.00 0.00 179.01 177.74 2giw h THR 63 N 0.17 1.26 -0.97 1.13 1.35 -1.53 -2.95 112.91 111.38 2giw h THR 63 Ca 0.23 -2.69 0.09 0.00 -0.55 0.00 0.00 66.41 63.49 2giw h THR 63 Cb 0.32 3.03 -0.07 0.00 -1.73 0.00 0.00 68.15 69.69 2giw h THR 63 CO -0.34 0.82 0.61 -0.07 -0.25 0.00 0.00 175.52 176.29 2giw h LEU 64 N 0.15 0.93 0.53 3.87 3.38 -0.60 -0.71 115.31 122.85 2giw h LEU 64 Ca -0.26 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2giw h LEU 64 Cb 2.17 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 42.77 2giw h LEU 64 CO 0.27 0.54 -0.26 -0.03 0.09 0.00 0.00 178.44 179.06 2giw h MET 65 N 1.03 -0.69 -0.53 1.13 4.05 -0.86 -0.66 114.93 118.41 2giw h MET 65 Ca 0.45 0.05 0.08 0.00 -0.28 0.00 0.00 59.70 59.99 2giw h MET 65 Cb 0.32 0.16 -0.06 0.00 -0.80 0.00 0.00 31.60 31.22 2giw h MET 65 CO -0.22 -0.42 0.18 1.49 0.23 0.00 0.00 176.91 178.17 2giw h GLU 66 N -0.80 0.35 0.27 0.39 4.81 -1.30 -0.16 114.58 118.14 2giw h GLU 66 Ca -0.07 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2giw h GLU 66 Cb 0.59 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 2giw h GLU 66 CO 0.12 0.23 -0.30 -0.92 -0.73 0.00 0.00 179.01 177.41 2giw h TYR 67 N 0.36 -0.84 0.00 0.92 3.20 -1.08 -0.26 116.97 119.27 2giw h TYR 67 Ca 0.26 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 2giw h TYR 67 Cb 0.30 0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.90 2giw h TYR 67 CO -0.17 -0.39 -0.05 -0.07 -1.64 0.00 0.00 178.16 175.84 2giw h LEU 68 N -0.58 0.00 -0.14 2.82 -0.00 -0.78 0.23 115.31 116.85 2giw h LEU 68 Ca -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.81 2giw h LEU 68 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.17 2giw h LEU 68 CO -0.05 0.05 -0.06 -0.08 -0.00 0.00 0.00 178.44 178.29 2giw h GLU 69 N 0.00 0.30 -1.32 1.13 4.81 -0.83 -3.44 114.58 115.23 2giw h GLU 69 Ca -0.00 -0.13 -0.39 0.00 -0.13 0.00 0.00 59.36 58.71 2giw h GLU 69 Cb 0.25 -0.01 -0.27 0.00 0.63 0.00 0.00 28.75 29.35 2giw h GLU 69 CO 0.01 0.62 -0.78 -1.71 -0.73 0.00 0.00 179.01 176.41 2giw n ASN 70 N -4.66 -1.57 -0.03 1.04 2.85 0.13 -4.62 115.26 108.40 2giw n ASN 70 Ca -0.06 -2.84 -0.15 0.00 -0.11 0.00 0.00 54.58 51.42 2giw n ASN 70 Cb 0.29 0.56 -0.12 0.00 1.24 0.00 0.00 39.78 41.75 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 4.55 0.16 -0.15 1.20 0.13 -0.85 -0.05 132.00 136.98 2giw h PRO 71 Ca 0.05 -0.18 0.04 0.00 -0.87 0.00 0.00 66.00 65.05 2giw h PRO 71 Cb 0.97 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 2giw h PRO 71 CO 0.31 0.93 0.14 -0.22 -0.23 0.00 0.00 178.00 178.93 2giw h LYS 72 N -0.54 0.00 0.05 0.86 3.11 -1.77 -0.65 116.57 117.63 2giw h LYS 72 Ca -0.03 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.81 2giw h LYS 72 Cb 1.02 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.25 2giw h LYS 72 CO 0.05 0.00 -0.02 -0.22 -2.81 0.00 0.00 179.45 176.45 2giw h LYS 73 N 0.00 -0.06 -0.95 1.90 1.63 -1.89 -3.28 116.57 113.92 2giw h LYS 73 Ca 0.07 0.00 0.16 0.00 -0.85 0.00 0.00 60.65 60.03 2giw h LYS 73 Cb 0.35 0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 31.91 2giw h LYS 73 CO -0.00 0.39 0.60 -0.92 -3.45 0.00 0.00 179.45 176.07 2giw h TYR 74 N -0.98 0.92 -3.39 1.91 3.20 -0.39 -3.31 116.97 114.93 2giw h TYR 74 Ca -0.01 0.03 -0.61 0.00 3.14 0.00 0.00 58.73 61.28 2giw h TYR 74 Cb 0.48 -0.29 -0.40 0.00 1.54 0.00 0.00 36.73 38.07 2giw h TYR 74 CO 0.12 0.30 -0.75 0.42 -1.64 0.00 0.00 178.16 176.61 2giw s ILE 75 N -5.76 1.38 -1.25 1.81 1.01 -0.31 -5.06 121.20 113.03 2giw s ILE 75 Ca -0.10 -1.61 -0.20 0.00 0.00 0.00 0.00 60.65 58.73 2giw s ILE 75 Cb 0.23 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.74 2giw s ILE 75 CO 0.80 -0.54 1.83 -0.81 0.00 0.00 0.00 174.94 176.21 2giw n PRO 76 N 4.65 2.51 0.00 2.79 -0.04 -1.24 -3.18 135.00 140.50 2giw n PRO 76 Ca -0.02 -2.92 0.00 0.00 -0.04 0.00 0.00 63.50 60.52 2giw n PRO 76 Cb 0.43 -3.59 0.00 0.00 -0.04 0.00 0.00 33.50 30.29 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 5.54 0.61 3.83 0.55 0.00 -1.26 -4.83 105.19 109.63 2giw n GLY 77 Ca 0.47 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.53 4.25 -2.15 2.61 -1.32 -1.19 -4.40 115.64 112.91 2giw s THR 78 Ca 0.00 0.78 0.18 0.00 -1.21 0.00 0.00 61.69 61.44 2giw s THR 78 Cb 0.00 -3.56 0.45 0.00 -1.51 0.00 0.00 72.50 67.88 2giw s THR 78 CO 0.00 -0.90 1.42 1.17 -2.21 0.00 0.00 174.62 174.10 2giw n LYS 79 N -2.81 2.16 -0.12 7.08 4.81 -1.26 -4.51 118.16 123.50 2giw n LYS 79 Ca 0.07 -1.78 -0.02 0.00 -0.87 0.00 0.00 58.31 55.71 2giw n LYS 79 Cb 0.54 -1.42 0.22 0.00 0.02 0.00 0.00 35.03 34.39 2giw n LYS 79 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 2giw h MET 80 N 3.12 0.80 -5.91 1.64 4.05 -1.93 -3.48 114.93 113.23 2giw h MET 80 Ca 0.00 -0.14 -0.19 0.00 -0.28 0.00 0.00 59.70 59.09 2giw h MET 80 Cb 0.70 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.37 2giw h MET 80 CO 0.00 0.70 -0.50 -0.89 0.23 0.00 0.00 176.91 176.45 2giw n ILE 81 N -4.30 -7.54 -3.85 1.77 2.08 -1.26 -5.04 119.36 101.22 2giw n ILE 81 Ca 0.04 -0.04 -0.09 0.00 0.56 0.00 0.00 62.75 63.22 2giw n ILE 81 Cb 0.19 -5.39 -0.05 0.00 -0.75 0.00 0.00 39.64 33.65 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 -2.87 0.09 0.00 1.39 5.36 -1.26 -5.14 117.98 115.55 2giw s PHE 82 Ca 0.05 -0.45 0.00 0.00 -0.96 0.00 0.00 56.93 55.57 2giw s PHE 82 Cb -0.01 0.28 0.00 0.00 -0.34 0.00 0.00 43.02 42.95 2giw s PHE 82 CO 0.81 -0.91 0.00 0.00 -1.46 0.00 0.00 175.22 173.66 2giw n ALA 83 N -0.33 0.08 -2.33 11.12 0.00 -1.26 -4.18 120.51 123.61 2giw n ALA 83 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.14 2giw n ALA 83 Cb 0.62 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.23 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 0.00 -0.24 2.04 0.00 0.00 -1.26 -4.29 105.19 101.44 2giw n GLY 84 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.27 0.00 0.00 -0.61 3.06 -1.26 -5.07 119.36 112.21 2giw n ILE 85 Ca 0.17 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.42 2giw n ILE 85 Cb 0.59 -0.34 0.00 0.00 0.54 0.00 0.00 39.64 40.42 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 -3.34 0.00 0.08 9.51 5.02 -1.26 -5.08 118.16 123.08 2giw n LYS 86 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2giw n LYS 86 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 -2.36 0.00 0.00 1.97 4.81 -1.26 -5.03 118.16 116.29 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 -2.73 0.00 -0.21 1.64 -0.00 -1.26 -4.89 118.16 110.70 2giw n LYS 88 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.29 2giw n LYS 88 Cb 0.00 -0.22 0.04 0.00 -0.00 0.00 0.00 35.03 34.85 2giw n LYS 88 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 2giw h THR 89 N 0.00 0.26 -0.02 0.58 2.02 -1.98 0.14 112.91 113.90 2giw h THR 89 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 2giw h THR 89 Cb 0.00 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 66.63 2giw h THR 89 CO 0.00 0.00 -0.19 -0.33 0.37 0.00 0.00 175.52 175.37 2giw h GLU 90 N -0.08 -0.29 0.00 6.66 3.07 -1.98 0.20 114.58 122.16 2giw h GLU 90 Ca 0.28 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 2giw h GLU 90 Cb 0.52 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 2giw h GLU 90 CO -0.68 -0.19 0.00 -2.13 -1.40 0.00 0.00 179.01 174.61 2giw n ARG 91 N -5.33 0.03 -0.03 2.33 0.63 0.30 -0.09 116.66 114.52 2giw n ARG 91 Ca -0.05 0.24 0.02 0.00 -0.92 0.00 0.00 57.85 57.14 2giw n ARG 91 Cb 0.24 -1.50 -0.10 0.00 0.45 0.00 0.00 32.46 31.55 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 -1.25 0.99 -0.10 -0.14 4.07 -0.02 -4.00 120.64 120.18 2giw n GLU 92 Ca 0.01 -0.08 -0.17 0.00 -0.06 0.00 0.00 57.16 56.86 2giw n GLU 92 Cb 0.02 -1.32 -0.07 0.00 -0.06 0.00 0.00 31.44 30.00 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 -2.15 1.87 -0.08 4.31 5.68 -0.69 0.15 116.55 125.65 2giw n ASP 93 Ca -0.09 0.46 -0.07 0.00 -0.50 0.00 0.00 54.79 54.59 2giw n ASP 93 Cb 0.56 -0.89 -0.00 0.00 -1.14 0.00 0.00 41.12 39.65 2giw n ASP 93 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 2giw h LEU 94 N -1.00 -0.00 -1.08 -2.12 6.46 -0.72 0.13 115.31 116.98 2giw h LEU 94 Ca -0.27 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.54 2giw h LEU 94 Cb 1.09 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 2giw h LEU 94 CO -0.16 0.03 0.00 0.40 -0.62 0.00 0.00 178.44 178.09 2giw h ILE 95 N 0.15 0.00 0.11 4.05 1.08 -1.72 -1.14 117.51 120.04 2giw h ILE 95 Ca 0.13 -0.23 -0.34 0.00 -0.39 0.00 0.00 64.86 64.02 2giw h ILE 95 Cb 0.14 0.99 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 2giw h ILE 95 CO -0.18 0.00 -1.87 0.00 -0.69 0.00 0.00 178.15 175.40 2giw h ALA 96 N 2.16 0.46 0.38 1.87 0.00 -1.14 -3.21 119.26 119.78 2giw h ALA 96 Ca 0.00 -1.36 -0.00 0.00 0.00 0.00 0.00 54.91 53.55 2giw h ALA 96 Cb 0.31 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2giw h ALA 96 CO 0.00 1.32 -0.45 -0.92 0.00 0.00 0.00 179.25 179.21 2giw h TYR 97 N 0.06 -1.24 -0.29 0.00 3.20 0.07 -2.80 116.97 115.97 2giw h TYR 97 Ca -0.37 0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.60 2giw h TYR 97 Cb 2.04 0.49 -0.01 0.00 1.54 0.00 0.00 36.73 40.79 2giw h TYR 97 CO 0.06 -0.59 0.21 -0.07 -1.64 0.00 0.00 178.16 176.13 2giw h LEU 98 N -0.86 0.00 -2.52 2.82 3.38 -1.37 0.14 115.31 116.90 2giw h LEU 98 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2giw h LEU 98 Cb 0.78 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 2giw h LEU 98 CO -0.10 0.00 -0.02 0.50 0.09 0.00 0.00 178.44 178.91 2giw h LYS 99 N 0.00 0.00 0.00 1.13 3.64 -1.50 -1.20 116.57 118.65 2giw h LYS 99 Ca 0.14 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.30 2giw h LYS 99 Cb 0.56 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 2giw h LYS 99 CO -0.00 0.02 -1.98 0.36 -2.27 0.00 0.00 179.45 175.58 2giw n LYS 100 N -3.36 1.34 -0.31 1.90 2.85 0.19 -4.55 118.16 116.21 2giw n LYS 100 Ca -0.02 -0.03 0.05 0.00 -1.05 0.00 0.00 58.31 57.26 2giw n LYS 100 Cb 0.13 -1.39 0.21 0.00 -0.65 0.00 0.00 35.03 33.33 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 0.89 1.31 -0.24 0.58 0.00 0.32 0.38 119.26 122.49 2giw h ALA 101 Ca -0.33 0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.69 2giw h ALA 101 Cb 1.70 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 2giw h ALA 101 CO 0.02 0.08 0.36 1.79 0.00 0.00 0.00 179.25 181.50 2giw h THR 102 N 0.80 0.27 -0.91 0.00 1.35 -1.60 -3.00 112.91 109.82 2giw h THR 102 Ca 0.45 0.00 -0.35 0.00 -0.55 0.00 0.00 66.41 65.96 2giw h THR 102 Cb 0.49 0.69 -0.33 0.00 -1.73 0.00 0.00 68.15 67.27 2giw h THR 102 CO -0.28 0.00 -0.96 -3.20 -0.25 0.00 0.00 175.52 170.82 2giw n ASN 103 N -3.46 0.32 -0.31 5.36 5.15 0.69 -4.54 115.26 118.46 2giw n ASN 103 Ca 0.03 -2.80 0.15 0.00 -0.60 0.00 0.00 54.58 51.36 2giw n ASN 103 Cb 0.48 -0.03 0.67 0.00 -0.53 0.00 0.00 39.78 40.38 2giw n ASN 103 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04