#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 2.57 -0.05 1.61 -1.08 -1.26 -4.73 116.67 113.73 2giw s ASP 2 Ca 0.00 -1.48 0.07 0.00 -0.52 0.00 0.00 52.55 50.62 2giw s ASP 2 Cb 0.00 0.11 -0.24 0.00 -1.46 0.00 0.00 42.92 41.33 2giw s ASP 2 CO 0.00 -0.71 0.63 1.62 0.52 0.00 0.00 175.17 177.23 2giw h VAL 3 N 1.98 0.85 0.00 1.11 3.04 -1.89 -3.19 116.25 118.15 2giw h VAL 3 Ca -0.39 -2.65 -0.10 0.00 -1.01 0.00 0.00 66.70 62.54 2giw h VAL 3 Cb 1.26 2.48 -0.01 0.00 -2.01 0.00 0.00 31.29 33.00 2giw h VAL 3 CO 0.66 0.62 -0.59 -0.33 -1.01 0.00 0.00 177.57 176.93 2giw h GLU 4 N 0.02 0.00 -0.63 4.17 4.39 -1.96 -3.33 114.58 117.24 2giw h GLU 4 Ca -0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.40 2giw h GLU 4 Cb 2.01 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.63 2giw h GLU 4 CO 0.09 0.82 0.39 0.87 -1.16 0.00 0.00 179.01 180.02 2giw h LYS 5 N -1.00 0.84 -0.33 2.33 1.57 -1.94 -0.28 116.57 117.76 2giw h LYS 5 Ca -0.15 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.63 2giw h LYS 5 Cb 1.00 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.07 2giw h LYS 5 CO -0.09 0.57 -0.01 0.78 -0.57 0.00 0.00 179.45 180.13 2giw h GLY 6 N 0.88 0.31 1.57 3.86 0.00 -1.70 0.30 103.07 108.29 2giw h GLY 6 Ca 0.23 0.05 -0.15 0.00 0.00 0.00 0.00 47.33 47.45 2giw h GLY 6 CO -0.05 -0.08 -0.55 0.07 0.00 0.00 0.00 176.54 175.93 2giw h LYS 7 N 0.08 0.45 0.07 4.80 2.10 -1.29 0.79 116.57 123.58 2giw h LYS 7 Ca 0.16 -0.29 -0.00 0.00 -2.00 0.00 0.00 60.65 58.52 2giw h LYS 7 Cb 0.22 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2giw h LYS 7 CO -0.28 0.89 -0.04 0.87 -2.00 0.00 0.00 179.45 178.89 2giw h LYS 8 N 0.35 -0.10 -0.27 0.07 1.79 -0.80 -1.11 116.57 116.50 2giw h LYS 8 Ca 0.01 0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.44 2giw h LYS 8 Cb 1.07 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.74 2giw h LYS 8 CO 0.10 0.24 0.02 0.82 -1.08 0.00 0.00 179.45 179.55 2giw h ILE 9 N -0.44 1.25 0.00 1.86 2.04 -0.84 0.11 117.51 121.48 2giw h ILE 9 Ca -0.01 -0.86 0.02 0.00 1.00 0.00 0.00 64.86 65.01 2giw h ILE 9 Cb 0.38 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 2giw h ILE 9 CO 0.02 0.27 -0.43 0.15 0.00 0.00 0.00 178.15 178.16 2giw h PHE 10 N 0.26 -1.27 -0.85 1.37 3.04 -0.89 -0.86 116.94 117.75 2giw h PHE 10 Ca 0.08 0.04 0.10 0.00 3.98 0.00 0.00 57.97 62.17 2giw h PHE 10 Cb 0.38 0.55 -0.06 0.00 2.56 0.00 0.00 35.95 39.39 2giw h PHE 10 CO 0.03 -0.46 0.55 0.28 -2.02 0.00 0.00 178.31 176.69 2giw h VAL 11 N -0.54 0.96 -0.43 1.41 2.07 -0.95 0.72 116.25 119.48 2giw h VAL 11 Ca 0.01 -0.28 0.09 0.00 0.82 0.00 0.00 66.70 67.34 2giw h VAL 11 Cb 0.58 0.07 -0.08 0.00 -1.52 0.00 0.00 31.29 30.34 2giw h VAL 11 CO -0.29 0.15 -0.12 -0.61 0.02 0.00 0.00 177.57 176.72 2giw h GLN 12 N 0.81 -0.01 -0.03 1.57 -0.00 -0.22 -3.30 115.11 113.93 2giw h GLN 12 Ca 0.39 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.86 2giw h GLN 12 Cb 0.43 0.00 -0.37 0.00 0.00 0.00 0.00 27.48 27.54 2giw h GLN 12 CO -0.16 -0.01 -1.02 0.36 0.00 0.00 0.00 178.83 178.00 2giw n LYS 13 N -5.33 0.21 0.00 1.69 -0.00 0.03 -4.82 118.16 109.94 2giw n LYS 13 Ca 0.03 -2.17 0.00 0.00 -0.00 0.00 0.00 58.31 56.17 2giw n LYS 13 Cb 0.24 -0.19 0.00 0.00 -0.00 0.00 0.00 35.03 35.08 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 2.21 -1.11 0.00 0.00 -1.60 0.82 119.26 119.58 2giw h ALA 15 Ca 0.00 0.02 0.33 0.00 0.00 0.00 0.00 54.91 55.27 2giw h ALA 15 Cb 0.23 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 17.87 2giw h ALA 15 CO 0.00 -0.50 0.69 0.37 0.00 0.00 0.00 179.25 179.80 2giw h GLN 16 N 0.40 0.28 0.05 0.00 4.15 -1.89 -1.60 115.11 116.50 2giw h GLN 16 Ca 0.48 -0.02 -0.38 0.00 0.77 0.00 0.00 58.65 59.51 2giw h GLN 16 Cb 1.20 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.78 2giw h GLN 16 CO -0.18 0.18 -2.25 0.00 -1.93 0.00 0.00 178.83 174.65 2giw s HIS 18 N -2.54 2.82 -1.25 0.00 3.76 -0.19 -2.41 115.29 115.48 2giw s HIS 18 Ca -0.28 -2.96 -0.09 0.00 -0.15 0.00 0.00 55.06 51.58 2giw s HIS 18 Cb 0.08 -2.37 -0.10 0.00 1.11 0.00 0.00 32.58 31.30 2giw s HIS 18 CO 0.69 -0.69 3.02 0.25 -0.85 0.00 0.00 174.74 177.16 2giw n THR 19 N 2.82 4.15 -2.67 1.30 -2.24 -1.21 -4.05 114.28 112.38 2giw n THR 19 Ca 0.13 -2.59 -0.42 0.00 -2.27 0.00 0.00 64.05 58.90 2giw n THR 19 Cb 0.35 -2.41 -0.03 0.00 -2.10 0.00 0.00 70.33 66.14 2giw n THR 19 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2giw s VAL 20 N 1.44 4.02 0.00 2.28 0.11 -1.26 -2.70 120.40 124.29 2giw s VAL 20 Ca 0.67 0.35 0.00 0.00 -2.93 0.00 0.00 61.98 60.08 2giw s VAL 20 Cb 0.21 -4.76 0.00 0.00 -1.53 0.00 0.00 36.38 30.30 2giw s VAL 20 CO -0.06 -1.53 0.00 1.21 -3.33 0.00 0.00 175.10 171.39 2giw n GLU 21 N 8.50 0.00 -3.11 1.54 2.13 -1.26 -5.01 120.64 123.42 2giw n GLU 21 Ca 0.03 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.67 2giw n GLU 21 Cb 0.48 -0.08 -0.05 0.00 0.27 0.00 0.00 31.44 32.06 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 -1.87 0.43 -3.36 5.31 2.85 -1.26 -4.98 118.16 115.29 2giw n LYS 22 Ca 0.00 -2.71 -0.17 0.00 -1.05 0.00 0.00 58.31 54.37 2giw n LYS 22 Cb 0.00 -1.51 0.05 0.00 -0.65 0.00 0.00 35.03 32.91 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 2.49 -1.14 0.00 2.58 0.00 -1.26 -5.01 105.19 102.85 2giw n GLY 23 Ca 0.23 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.78 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 -1.46 -0.35 3.31 -0.02 0.00 -1.10 -5.09 105.19 100.48 2giw n GLY 24 Ca -0.07 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 1.23 -0.83 1.61 3.01 -1.26 -5.04 119.74 118.46 2giw s LYS 25 Ca 0.00 -1.42 0.02 0.00 -1.01 0.00 0.00 55.97 53.55 2giw s LYS 25 Cb 0.00 0.33 0.32 0.00 -1.01 0.00 0.00 37.83 37.47 2giw s LYS 25 CO 0.00 -0.43 1.37 0.72 0.51 0.00 0.00 175.35 177.52 2giw n HIS 26 N -0.26 3.28 -0.06 3.18 8.25 -1.26 -4.12 115.22 124.24 2giw n HIS 26 Ca -0.02 -3.24 -0.02 0.00 -0.26 0.00 0.00 57.72 54.18 2giw n HIS 26 Cb 0.64 -0.88 -0.02 0.00 1.12 0.00 0.00 29.99 30.85 2giw n HIS 26 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2giw h LYS 27 N 3.87 0.00 0.00 -0.41 1.63 -1.94 -3.42 116.57 116.30 2giw h LYS 27 Ca 0.32 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 2giw h LYS 27 Cb 0.45 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 2giw h LYS 27 CO 1.03 0.12 -0.11 2.41 -3.45 0.00 0.00 179.45 179.45 2giw n THR 28 N -4.74 0.67 -3.65 1.00 -1.04 -1.23 -5.04 114.28 100.25 2giw n THR 28 Ca -0.02 -0.75 -0.02 0.00 -2.04 0.00 0.00 64.05 61.22 2giw n THR 28 Cb 0.09 0.49 -0.07 0.00 -1.82 0.00 0.00 70.33 69.02 2giw n THR 28 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2giw s GLY 29 N -1.10 0.39 0.47 3.41 0.00 -1.01 -4.86 107.32 104.62 2giw s GLY 29 Ca 0.07 3.56 -0.20 0.00 0.00 0.00 0.00 44.72 48.15 2giw s GLY 29 CO 0.01 2.13 1.00 2.56 0.00 0.00 0.00 173.10 178.80 2giw s PRO 30 N 0.28 3.95 -0.51 2.90 0.04 -1.26 -4.33 135.00 136.08 2giw s PRO 30 Ca 0.04 1.23 -0.26 0.00 0.04 0.00 0.00 61.00 62.05 2giw s PRO 30 Cb -0.04 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 32.31 2giw s PRO 30 CO -0.14 -0.28 2.35 1.21 0.04 0.00 0.00 177.00 180.18 2giw s ASN 31 N -2.17 4.52 0.30 6.66 2.47 -1.26 -4.79 114.94 120.68 2giw s ASN 31 Ca 0.64 0.99 0.06 0.00 0.42 0.00 0.00 52.86 54.98 2giw s ASN 31 Cb -0.13 -2.50 0.79 0.00 -1.45 0.00 0.00 41.25 37.96 2giw s ASN 31 CO 0.19 -2.84 1.73 -0.07 -3.72 0.00 0.00 177.10 172.39 2giw h LEU 32 N 19.30 0.57 0.00 3.21 3.38 -1.92 -3.45 115.31 136.40 2giw h LEU 32 Ca -0.24 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2giw h LEU 32 Cb 1.26 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2giw h LEU 32 CO 1.17 0.10 0.00 1.57 0.09 0.00 0.00 178.44 181.36 2giw n HIS 33 N -4.92 0.00 0.00 1.13 -0.00 -1.26 -2.94 115.22 107.22 2giw n HIS 33 Ca 0.24 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.42 2giw n HIS 33 Cb 0.68 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.55 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 0.00 1.39 5.56 1.57 0.00 -1.26 -5.06 105.19 107.39 2giw n GLY 34 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 -4.55 0.99 4.77 -1.15 -4.65 117.00 112.41 2giw n LEU 35 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 2giw n LEU 35 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2giw n LEU 35 CO 0.00 0.00 1.55 -0.36 -1.33 0.00 0.00 177.39 177.25 2giw s PHE 36 N 0.00 1.43 0.00 -1.77 0.08 -1.10 -0.26 117.98 116.36 2giw s PHE 36 Ca 0.00 1.22 0.00 0.00 0.12 0.00 0.00 56.93 58.27 2giw s PHE 36 Cb 0.00 -3.80 0.00 0.00 -0.57 0.00 0.00 43.02 38.65 2giw s PHE 36 CO 0.00 -2.05 0.00 0.41 -0.10 0.00 0.00 175.22 173.48 2giw n GLY 37 N 6.33 0.51 3.54 4.36 0.00 -0.74 -5.02 105.19 114.16 2giw n GLY 37 Ca 0.36 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.94 3.38 -0.13 1.61 6.06 0.64 -5.01 118.95 124.57 2giw s ARG 38 Ca 0.00 -0.16 -0.31 0.00 -2.50 0.00 0.00 55.73 52.76 2giw s ARG 38 Cb 0.00 -3.94 -0.08 0.00 0.06 0.00 0.00 34.95 30.99 2giw s ARG 38 CO 0.00 -1.09 2.08 1.63 -2.50 0.00 0.00 175.30 175.43 2giw n LYS 39 N 6.60 2.18 0.00 5.12 5.02 -1.26 -3.56 118.16 132.26 2giw n LYS 39 Ca 0.01 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 2giw n LYS 39 Cb 0.48 -2.97 0.00 0.00 -0.02 0.00 0.00 35.03 32.52 2giw n LYS 39 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2giw n THR 40 N 6.55 0.00 -0.64 -0.18 5.66 -0.06 -4.76 114.28 120.85 2giw n THR 40 Ca 0.27 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.27 2giw n THR 40 Cb 0.38 -1.50 0.00 0.00 -1.55 0.00 0.00 70.33 67.67 2giw n THR 40 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2giw n GLY 41 N 5.00 0.76 0.00 1.09 0.00 -1.26 -4.42 105.19 106.36 2giw n GLY 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2giw n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2giw n GLN 42 N -2.29 0.00 -2.25 1.61 10.64 -1.26 -4.60 117.38 119.23 2giw n GLN 42 Ca 0.00 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.82 2giw n GLN 42 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 2giw n GLN 42 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2giw s ALA 43 N 0.00 2.69 0.12 2.61 0.00 -1.26 -4.98 121.76 120.93 2giw s ALA 43 Ca 0.00 0.81 -0.12 0.00 0.00 0.00 0.00 51.96 52.65 2giw s ALA 43 Cb 0.00 -3.36 -0.12 0.00 0.00 0.00 0.00 23.12 19.64 2giw s ALA 43 CO 0.00 -0.78 1.36 -1.00 0.00 0.00 0.00 175.76 175.34 2giw h PRO 44 N 1.17 0.85 0.00 0.00 0.13 -2.02 -3.39 132.00 128.74 2giw h PRO 44 Ca -0.50 -0.60 0.00 0.00 -0.87 0.00 0.00 66.00 64.03 2giw h PRO 44 Cb 1.26 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2giw h PRO 44 CO 0.57 1.23 -0.16 0.78 -0.23 0.00 0.00 178.00 180.18 2giw h GLY 45 N 0.62 0.00 -5.74 1.56 0.00 -2.02 -3.46 103.07 94.04 2giw h GLY 45 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.88 2giw h GLY 45 CO 0.14 0.00 -0.79 -0.12 0.00 0.00 0.00 176.54 175.77 2giw s PHE 46 N -1.75 0.99 0.57 5.60 2.19 -1.26 -5.12 117.98 119.20 2giw s PHE 46 Ca -0.05 -0.28 0.07 0.00 0.33 0.00 0.00 56.93 57.00 2giw s PHE 46 Cb 0.01 -0.74 0.06 0.00 -1.31 0.00 0.00 43.02 41.04 2giw s PHE 46 CO 0.07 -0.15 0.54 -0.08 1.83 0.00 0.00 175.22 177.44 2giw s THR 47 N 0.42 1.72 0.38 0.12 -1.32 -1.26 -4.44 115.64 111.26 2giw s THR 47 Ca -0.07 -1.33 0.04 0.00 -1.21 0.00 0.00 61.69 59.12 2giw s THR 47 Cb -0.11 -2.06 -0.03 0.00 -1.51 0.00 0.00 72.50 68.80 2giw s THR 47 CO 0.01 0.00 0.16 -0.72 -2.21 0.00 0.00 174.62 171.86 2giw s TYR 48 N -2.77 1.76 0.40 9.09 1.13 -1.26 -5.05 117.35 120.64 2giw s TYR 48 Ca 0.42 -1.36 -0.26 0.00 -1.41 0.00 0.00 57.07 54.46 2giw s TYR 48 Cb -0.03 -1.04 -0.10 0.00 -1.10 0.00 0.00 41.96 39.68 2giw s TYR 48 CO 0.27 -0.42 1.30 0.25 -2.51 0.00 0.00 175.55 174.44 2giw n THR 49 N -0.81 2.38 0.08 -3.49 -2.24 -1.26 -4.47 114.28 104.47 2giw n THR 49 Ca -0.03 -0.50 0.19 0.00 -2.27 0.00 0.00 64.05 61.44 2giw n THR 49 Cb 0.64 -1.62 0.73 0.00 -2.10 0.00 0.00 70.33 67.99 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 2.29 0.00 -0.79 3.42 5.19 -1.96 0.35 116.42 124.91 2giw h ASP 50 Ca -0.48 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 55.91 2giw h ASP 50 Cb 1.29 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.76 2giw h ASP 50 CO 0.61 0.00 0.39 0.00 -3.12 0.00 0.00 179.24 177.12 2giw h ALA 51 N 1.70 1.19 0.08 3.45 0.00 -1.89 0.35 119.26 124.14 2giw h ALA 51 Ca 0.19 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 2giw h ALA 51 Cb 0.86 -0.32 0.02 0.00 0.00 0.00 0.00 17.79 18.34 2giw h ALA 51 CO -0.00 0.62 -0.62 -0.97 0.00 0.00 0.00 179.25 178.28 2giw h ASN 52 N 1.13 0.40 -0.95 0.00 -0.73 -0.24 -3.32 115.58 111.86 2giw h ASN 52 Ca 0.28 -0.90 0.12 0.00 1.87 0.00 0.00 56.30 57.67 2giw h ASN 52 Cb 0.10 -0.13 -0.08 0.00 0.27 0.00 0.00 38.32 38.48 2giw h ASN 52 CO -0.04 1.27 0.60 0.07 -0.37 0.00 0.00 177.43 178.97 2giw h LYS 53 N -0.41 0.86 -0.17 6.67 2.10 -0.86 0.12 116.57 124.87 2giw h LYS 53 Ca -0.10 -0.05 0.05 0.00 -2.00 0.00 0.00 60.65 58.55 2giw h LYS 53 Cb 1.44 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 32.57 2giw h LYS 53 CO 0.12 0.57 0.16 -0.97 -2.00 0.00 0.00 179.45 177.33 2giw h ASN 54 N 0.88 0.00 -2.04 7.07 -0.73 -0.40 -3.20 115.58 117.16 2giw h ASN 54 Ca 0.47 0.00 -0.79 0.00 1.87 0.00 0.00 56.30 57.85 2giw h ASN 54 Cb 0.55 0.00 -0.22 0.00 0.27 0.00 0.00 38.32 38.91 2giw h ASN 54 CO -0.23 0.00 1.44 0.29 -0.37 0.00 0.00 177.43 178.56 2giw n LYS 55 N -4.02 4.77 -0.59 6.67 4.01 0.41 -4.89 118.16 124.51 2giw n LYS 55 Ca 0.01 -4.20 -0.29 0.00 -0.51 0.00 0.00 58.31 53.32 2giw n LYS 55 Cb 0.29 -2.58 -0.05 0.00 -0.51 0.00 0.00 35.03 32.18 2giw n LYS 55 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2giw n GLY 56 N 1.09 1.83 0.00 0.72 0.00 -1.21 -4.24 105.19 103.38 2giw n GLY 56 Ca 0.44 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 5.72 0.00 -0.94 -0.61 -5.35 -1.26 -4.69 119.36 112.22 2giw n ILE 57 Ca 0.36 0.00 0.03 0.00 -0.27 0.00 0.00 62.75 62.87 2giw n ILE 57 Cb 0.26 -1.69 0.04 0.00 -1.74 0.00 0.00 39.64 36.51 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 -0.05 0.85 -2.73 7.28 -1.04 -1.26 -0.88 114.28 116.45 2giw n THR 58 Ca 0.00 -0.96 -0.01 0.00 -2.04 0.00 0.00 64.05 61.04 2giw n THR 58 Cb 0.00 0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 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 -0.57 -0.06 -2.40 -1.42 7.02 -1.23 -1.80 117.44 116.98 2giw n TRP 59 Ca 0.05 0.02 -0.24 0.00 -1.02 0.00 0.00 57.50 56.31 2giw n TRP 59 Cb 0.51 -0.08 0.06 0.00 -2.42 0.00 0.00 31.31 29.39 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 -2.56 2.23 0.00 -0.99 0.00 -1.26 -2.70 119.74 114.46 2giw s LYS 60 Ca 0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 55.97 55.38 2giw s LYS 60 Cb -0.00 -2.30 -0.15 0.00 0.00 0.00 0.00 37.83 35.38 2giw s LYS 60 CO 0.03 -1.09 2.35 -0.85 0.00 0.00 0.00 175.35 175.79 2giw n GLU 61 N -2.71 1.20 0.14 1.78 0.00 -1.26 -1.45 120.64 118.34 2giw n GLU 61 Ca 0.09 -0.56 0.00 0.00 0.00 0.00 0.00 57.16 56.69 2giw n GLU 61 Cb 0.60 -1.73 0.00 0.00 0.00 0.00 0.00 31.44 30.31 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 2.53 0.00 -0.26 3.44 1.02 -1.26 -4.72 120.64 121.39 2giw n GLU 62 Ca 0.24 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.32 2giw n GLU 62 Cb 0.56 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 32.03 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 1.22 -0.67 2.62 1.35 -1.89 -0.81 112.91 114.74 2giw h THR 63 Ca 0.00 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 2giw h THR 63 Cb 0.00 0.27 -0.03 0.00 -1.73 0.00 0.00 68.15 66.66 2giw h THR 63 CO 0.00 0.25 0.42 -0.07 -0.25 0.00 0.00 175.52 175.86 2giw h LEU 64 N 1.00 0.79 0.22 3.87 3.38 -1.57 -0.82 115.31 122.19 2giw h LEU 64 Ca 0.25 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2giw h LEU 64 Cb 0.04 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2giw h LEU 64 CO -0.04 0.60 -0.11 0.24 0.09 0.00 0.00 178.44 179.22 2giw h MET 65 N 0.91 -0.29 -0.35 1.13 2.86 -1.55 -0.36 114.93 117.27 2giw h MET 65 Ca 0.24 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.91 2giw h MET 65 Cb -0.06 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 2giw h MET 65 CO -0.05 -0.07 0.21 1.49 1.06 0.00 0.00 176.91 179.55 2giw h GLU 66 N -0.46 0.42 0.51 1.72 4.81 -1.10 -0.71 114.58 119.78 2giw h GLU 66 Ca -0.03 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2giw h GLU 66 Cb 0.35 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2giw h GLU 66 CO 0.05 0.28 -0.47 -0.92 -0.73 0.00 0.00 179.01 177.22 2giw h TYR 67 N 0.43 -1.29 -0.69 0.92 3.20 -1.11 -0.89 116.97 117.54 2giw h TYR 67 Ca 0.14 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.04 2giw h TYR 67 Cb -0.01 0.50 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 2giw h TYR 67 CO -0.07 -0.63 0.46 -0.07 -1.64 0.00 0.00 178.16 176.20 2giw h LEU 68 N -0.97 0.74 0.08 2.82 -0.00 -0.84 0.13 115.31 117.28 2giw h LEU 68 Ca -0.07 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.80 2giw h LEU 68 Cb 0.83 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.31 2giw h LEU 68 CO -0.03 0.52 -0.04 -0.08 -0.00 0.00 0.00 178.44 178.80 2giw h GLU 69 N 0.86 -0.11 -1.78 1.13 4.22 -1.04 -3.42 114.58 114.45 2giw h GLU 69 Ca 0.27 0.01 -0.51 0.00 0.08 0.00 0.00 59.36 59.21 2giw h GLU 69 Cb 0.01 0.02 -0.36 0.00 0.50 0.00 0.00 28.75 28.92 2giw h GLU 69 CO -0.07 0.07 -1.05 -1.71 -2.18 0.00 0.00 179.01 174.07 2giw n ASN 70 N -5.06 -0.06 0.00 1.04 2.85 -0.35 -4.62 115.26 109.07 2giw n ASN 70 Ca -0.08 -2.82 -0.13 0.00 -0.11 0.00 0.00 54.58 51.44 2giw n ASN 70 Cb 0.14 -0.36 -0.09 0.00 1.24 0.00 0.00 39.78 40.71 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 3.82 0.01 0.00 1.20 0.13 -0.98 0.40 132.00 136.58 2giw h PRO 71 Ca 0.05 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2giw h PRO 71 Cb 0.91 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2giw h PRO 71 CO 0.45 0.33 0.00 1.63 -0.23 0.00 0.00 178.00 180.18 2giw n LYS 72 N -4.93 0.08 -0.10 0.86 5.02 -1.26 -1.19 118.16 116.63 2giw n LYS 72 Ca -0.08 0.48 -0.24 0.00 -2.02 0.00 0.00 58.31 56.46 2giw n LYS 72 Cb 0.18 -1.71 -0.11 0.00 -0.02 0.00 0.00 35.03 33.36 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 -1.87 0.59 -0.21 1.97 0.00 -0.21 -3.28 118.16 115.16 2giw n LYS 73 Ca 0.01 0.45 0.01 0.00 0.00 0.00 0.00 58.31 58.78 2giw n LYS 73 Cb 0.08 -1.67 0.12 0.00 0.00 0.00 0.00 35.03 33.56 2giw n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 2giw h TYR 74 N -0.86 0.12 -3.40 5.64 3.20 -0.71 -3.35 116.97 117.61 2giw h TYR 74 Ca -0.46 0.04 -0.59 0.00 3.14 0.00 0.00 58.73 60.86 2giw h TYR 74 Cb 1.48 0.04 -0.39 0.00 1.54 0.00 0.00 36.73 39.40 2giw h TYR 74 CO 0.04 -0.09 -0.76 0.42 -1.64 0.00 0.00 178.16 176.13 2giw s ILE 75 N -6.11 1.25 -1.18 1.81 1.01 -0.34 -5.05 121.20 112.60 2giw s ILE 75 Ca -0.13 -1.39 -0.16 0.00 0.00 0.00 0.00 60.65 58.97 2giw s ILE 75 Cb 0.19 -1.79 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 2giw s ILE 75 CO 0.74 -0.43 2.16 -0.81 0.00 0.00 0.00 174.94 176.60 2giw n PRO 76 N 4.73 2.36 0.00 2.79 -0.04 -1.20 -4.14 135.00 139.49 2giw n PRO 76 Ca -0.05 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.20 2giw n PRO 76 Cb 0.43 -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 4.20 -0.27 3.04 0.55 0.00 -1.26 -4.98 105.19 106.46 2giw n GLY 77 Ca 0.53 0.42 -0.11 0.00 0.00 0.00 0.00 46.02 46.86 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 0.06 -0.39 2.61 -1.32 -1.26 -2.80 115.64 112.54 2giw s THR 78 Ca 0.00 -0.53 0.08 0.00 -1.21 0.00 0.00 61.69 60.03 2giw s THR 78 Cb 0.00 -0.31 0.59 0.00 -1.51 0.00 0.00 72.50 71.27 2giw s THR 78 CO 0.00 -0.29 1.54 1.17 -2.21 0.00 0.00 174.62 174.83 2giw n LYS 79 N 1.95 3.30 0.15 7.08 4.81 -1.26 -4.54 118.16 129.65 2giw n LYS 79 Ca -0.20 -2.38 0.00 0.00 -0.87 0.00 0.00 58.31 54.87 2giw n LYS 79 Cb 0.56 -2.03 0.28 0.00 0.02 0.00 0.00 35.03 33.87 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 2.27 0.08 -6.26 1.64 4.05 -1.95 -3.48 114.93 111.28 2giw h MET 80 Ca 0.17 -0.04 -0.38 0.00 -0.28 0.00 0.00 59.70 59.17 2giw h MET 80 Cb 1.92 -0.00 0.04 0.00 -0.80 0.00 0.00 31.60 32.76 2giw h MET 80 CO 0.54 0.49 -0.82 -0.89 0.23 0.00 0.00 176.91 176.46 2giw n ILE 81 N -4.03 -5.79 -4.29 1.77 2.08 -1.26 -5.02 119.36 102.82 2giw n ILE 81 Ca -0.02 -0.59 -0.20 0.00 0.56 0.00 0.00 62.75 62.49 2giw n ILE 81 Cb 0.46 -4.31 -0.13 0.00 -0.75 0.00 0.00 39.64 34.92 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 -3.28 1.37 -0.48 1.39 5.36 -1.26 -5.12 117.98 115.97 2giw s PHE 82 Ca 0.29 -0.41 0.07 0.00 -0.96 0.00 0.00 56.93 55.92 2giw s PHE 82 Cb -0.11 -0.78 0.18 0.00 -0.34 0.00 0.00 43.02 41.97 2giw s PHE 82 CO 0.86 0.08 0.67 0.00 -1.46 0.00 0.00 175.22 175.36 2giw s ALA 83 N -1.07 -1.88 0.00 11.12 0.00 -1.26 -4.71 121.76 123.96 2giw s ALA 83 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.56 2giw s ALA 83 Cb -0.09 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.40 2giw s ALA 83 CO 0.02 -2.21 0.00 0.41 0.00 0.00 0.00 175.76 173.98 2giw n GLY 84 N 3.35 -1.57 0.33 0.00 0.00 -1.26 -5.02 105.19 101.02 2giw n GLY 84 Ca 0.17 -1.38 -0.07 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.52 1.43 0.12 -0.61 3.06 -1.26 -5.07 119.36 116.50 2giw n ILE 85 Ca 0.00 0.19 0.00 0.00 -2.50 0.00 0.00 62.75 60.44 2giw n ILE 85 Cb 0.00 -2.15 0.00 0.00 0.54 0.00 0.00 39.64 38.03 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 -4.21 0.00 0.21 9.51 4.81 -1.26 -5.07 118.16 122.14 2giw n LYS 86 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 2giw n LYS 86 Cb 0.40 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.45 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 -3.02 0.00 0.08 1.64 3.00 -1.26 -5.08 118.16 113.52 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 -3.36 0.00 -0.37 1.64 2.85 -1.26 -4.99 118.16 112.68 2giw n LYS 88 Ca 0.00 0.00 0.28 0.00 -1.05 0.00 0.00 58.31 57.54 2giw n LYS 88 Cb 0.00 0.00 0.57 0.00 -0.65 0.00 0.00 35.03 34.95 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 0.36 -0.89 0.58 2.02 -2.01 0.22 112.91 113.19 2giw h THR 89 Ca 0.00 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 67.10 2giw h THR 89 Cb 0.00 0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 66.44 2giw h THR 89 CO 0.00 0.05 0.59 -0.08 0.37 0.00 0.00 175.52 176.45 2giw h GLU 90 N 0.27 1.15 -0.20 6.66 4.81 -1.97 -0.04 114.58 125.25 2giw h GLU 90 Ca 0.68 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.90 2giw h GLU 90 Cb 1.92 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 31.04 2giw h GLU 90 CO -0.35 0.76 0.15 0.07 -0.73 0.00 0.00 179.01 178.92 2giw h ARG 91 N 1.19 0.00 0.12 1.92 -0.00 -0.96 -0.64 114.38 116.01 2giw h ARG 91 Ca 0.33 0.00 -0.29 0.00 -0.00 0.00 0.00 59.98 60.02 2giw h ARG 91 Cb -0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 29.86 2giw h ARG 91 CO -0.08 0.00 -1.47 1.49 -0.00 0.00 0.00 179.97 179.91 2giw h GLU 92 N 0.00 0.26 0.57 0.08 4.57 -1.39 -3.29 114.58 115.38 2giw h GLU 92 Ca 0.10 -0.44 -0.03 0.00 -1.18 0.00 0.00 59.36 57.81 2giw h GLU 92 Cb 0.40 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 2giw h GLU 92 CO -0.00 1.21 -0.31 -0.44 -1.18 0.00 0.00 179.01 178.29 2giw h ASP 93 N -0.25 -0.74 -0.38 1.04 3.32 -0.62 -1.05 116.42 117.74 2giw h ASP 93 Ca -0.31 0.03 0.07 0.00 0.02 0.00 0.00 57.03 56.84 2giw h ASP 93 Cb 1.80 0.21 -0.07 0.00 0.22 0.00 0.00 39.33 41.49 2giw h ASP 93 CO 0.07 -0.50 -0.06 -0.07 -1.72 0.00 0.00 179.24 176.95 2giw h LEU 94 N -0.81 -0.29 0.00 1.55 -0.00 -1.33 0.22 115.31 114.65 2giw h LEU 94 Ca -0.07 0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 2giw h LEU 94 Cb 0.64 0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.51 2giw h LEU 94 CO 0.10 -0.10 0.00 -0.38 -0.00 0.00 0.00 178.44 178.06 2giw n ILE 95 N -5.26 0.00 -0.11 1.22 2.08 -1.12 -1.16 119.36 115.00 2giw n ILE 95 Ca 0.02 0.00 -0.25 0.00 0.56 0.00 0.00 62.75 63.08 2giw n ILE 95 Cb 0.21 -0.56 -0.11 0.00 -0.75 0.00 0.00 39.64 38.43 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 -0.98 1.10 0.16 -1.39 0.00 -0.09 -3.85 120.51 115.46 2giw n ALA 96 Ca 0.20 -0.90 -0.16 0.00 0.00 0.00 0.00 53.44 52.58 2giw n ALA 96 Cb 0.09 -0.16 -0.09 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.73 -1.34 0.00 0.00 3.20 -0.85 -2.78 116.97 114.48 2giw h TYR 97 Ca -0.57 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.33 2giw h TYR 97 Cb 1.63 0.56 -0.00 0.00 1.54 0.00 0.00 36.73 40.45 2giw h TYR 97 CO -0.01 -0.58 -0.01 -0.07 -1.64 0.00 0.00 178.16 175.85 2giw h LEU 98 N -0.77 0.00 -0.88 2.82 3.38 -1.35 0.66 115.31 119.16 2giw h LEU 98 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2giw h LEU 98 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2giw h LEU 98 CO -0.21 0.01 0.00 0.29 0.09 0.00 0.00 178.44 178.62 2giw n LYS 99 N -3.70 0.18 -0.04 1.13 5.02 -1.05 -2.01 118.16 117.69 2giw n LYS 99 Ca -0.03 0.48 -0.04 0.00 -2.02 0.00 0.00 58.31 56.70 2giw n LYS 99 Cb 0.10 -1.89 -0.06 0.00 -0.02 0.00 0.00 35.03 33.16 2giw n LYS 99 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2giw n LYS 100 N -2.23 2.40 -0.22 1.97 2.85 0.02 -4.72 118.16 118.23 2giw n LYS 100 Ca 0.01 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.30 2giw n LYS 100 Cb 0.18 -1.20 0.14 0.00 -0.65 0.00 0.00 35.03 33.50 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 0.33 0.86 0.00 0.58 0.00 -0.60 0.35 119.26 120.78 2giw h ALA 101 Ca -0.21 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2giw h ALA 101 Cb 1.46 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2giw h ALA 101 CO 0.01 -0.27 0.00 0.25 0.00 0.00 0.00 179.25 179.24 2giw n THR 102 N -5.08 0.97 -2.68 0.00 -2.24 -0.85 -2.44 114.28 101.95 2giw n THR 102 Ca 0.11 0.59 -0.08 0.00 -2.27 0.00 0.00 64.05 62.41 2giw n THR 102 Cb 0.37 -1.58 0.05 0.00 -2.10 0.00 0.00 70.33 67.07 2giw n THR 102 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2giw n ASN 103 N -2.27 0.66 -0.02 3.42 5.15 0.17 -4.30 115.26 118.07 2giw n ASN 103 Ca -0.00 -2.59 0.16 0.00 -0.60 0.00 0.00 54.58 51.55 2giw n ASN 103 Cb 0.09 -0.16 0.93 0.00 -0.53 0.00 0.00 39.78 40.11 2giw n ASN 103 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04