#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 0.79 0.20 1.61 1.11 -1.26 -4.66 116.67 114.46 2giw s ASP 2 Ca 0.00 -1.16 -0.05 0.00 0.18 0.00 0.00 52.55 51.52 2giw s ASP 2 Cb 0.00 0.19 0.13 0.00 1.07 0.00 0.00 42.92 44.31 2giw s ASP 2 CO 0.00 -0.63 1.57 1.62 1.18 0.00 0.00 175.17 178.91 2giw h VAL 3 N 2.82 1.28 0.88 -1.27 3.04 -1.84 0.28 116.25 121.45 2giw h VAL 3 Ca -0.36 -1.49 -0.04 0.00 -1.01 0.00 0.00 66.70 63.80 2giw h VAL 3 Cb 1.19 1.38 0.01 0.00 -2.01 0.00 0.00 31.29 31.87 2giw h VAL 3 CO 0.62 0.49 -0.42 -0.33 -1.01 0.00 0.00 177.57 176.91 2giw h GLU 4 N 0.63 -1.14 -0.36 4.17 4.39 -1.97 0.11 114.58 120.41 2giw h GLU 4 Ca 0.07 0.08 -0.11 0.00 0.34 0.00 0.00 59.36 59.73 2giw h GLU 4 Cb 0.87 0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 2giw h GLU 4 CO 0.08 -0.76 -0.22 0.87 -1.16 0.00 0.00 179.01 177.82 2giw h LYS 5 N -1.28 0.78 0.38 2.33 1.79 -1.94 -2.54 116.57 116.08 2giw h LYS 5 Ca -0.12 -0.36 -0.01 0.00 -2.18 0.00 0.00 60.65 57.98 2giw h LYS 5 Cb 0.91 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.53 2giw h LYS 5 CO 0.20 0.98 -0.33 0.78 -1.08 0.00 0.00 179.45 180.00 2giw h GLY 6 N 0.56 -0.80 1.71 3.86 0.00 -0.42 -0.14 103.07 107.84 2giw h GLY 6 Ca 0.07 0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.75 2giw h GLY 6 CO 0.06 -0.29 0.02 0.07 0.00 0.00 0.00 176.54 176.40 2giw h LYS 7 N -0.73 0.37 0.28 4.80 2.10 -0.79 0.11 116.57 122.71 2giw h LYS 7 Ca -0.03 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 58.55 2giw h LYS 7 Cb 0.64 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 2giw h LYS 7 CO -0.03 0.38 -0.13 0.87 -2.00 0.00 0.00 179.45 178.54 2giw h LYS 8 N 0.36 -0.36 -0.61 0.07 1.79 -1.14 -0.32 116.57 116.36 2giw h LYS 8 Ca 0.08 0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.50 2giw h LYS 8 Cb 0.21 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.92 2giw h LYS 8 CO 0.00 -0.01 0.08 0.82 -1.08 0.00 0.00 179.45 179.27 2giw h ILE 9 N -0.87 1.26 -0.01 1.86 2.04 -0.76 0.14 117.51 121.18 2giw h ILE 9 Ca -0.04 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.80 2giw h ILE 9 Cb 0.51 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2giw h ILE 9 CO 0.06 0.38 -0.06 0.15 0.00 0.00 0.00 178.15 178.68 2giw h PHE 10 N 0.92 -0.19 -0.98 1.37 3.57 -0.88 -3.07 116.94 117.68 2giw h PHE 10 Ca 0.18 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.86 2giw h PHE 10 Cb 0.45 0.08 -0.09 0.00 2.79 0.00 0.00 35.95 39.18 2giw h PHE 10 CO 0.03 -0.07 0.61 0.28 -2.23 0.00 0.00 178.31 176.94 2giw h VAL 11 N -0.08 0.76 -0.67 1.41 2.07 -0.36 0.51 116.25 119.88 2giw h VAL 11 Ca 0.00 -0.26 0.13 0.00 0.82 0.00 0.00 66.70 67.39 2giw h VAL 11 Cb 0.08 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 29.75 2giw h VAL 11 CO -0.05 0.14 0.45 1.56 0.02 0.00 0.00 177.57 179.69 2giw h GLN 12 N 0.75 0.37 0.00 1.57 7.50 -0.90 -3.30 115.11 121.11 2giw h GLN 12 Ca 0.54 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.66 2giw h GLN 12 Cb 0.84 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 28.29 2giw h GLN 12 CO -0.31 0.25 0.00 0.36 -1.50 0.00 0.00 178.83 177.62 2giw n LYS 13 N -4.47 0.11 -0.08 1.46 0.00 0.41 -4.90 118.16 110.69 2giw n LYS 13 Ca 0.12 -0.07 -0.13 0.00 -0.00 0.00 0.00 58.31 58.23 2giw n LYS 13 Cb 0.47 -0.49 -0.06 0.00 -0.00 0.00 0.00 35.03 34.95 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 -0.24 2.45 -0.97 0.00 0.00 -1.63 0.53 119.26 119.40 2giw h ALA 15 Ca -0.36 -0.01 0.29 0.00 0.00 0.00 0.00 54.91 54.82 2giw h ALA 15 Cb 1.45 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 19.11 2giw h ALA 15 CO -0.13 -0.65 0.49 1.96 0.00 0.00 0.00 179.25 180.92 2giw h GLN 16 N 0.14 0.33 0.00 0.00 4.20 -1.84 -1.47 115.11 116.46 2giw h GLN 16 Ca 0.34 -0.02 -0.35 0.00 0.06 0.00 0.00 58.65 58.67 2giw h GLN 16 Cb 1.13 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.77 2giw h GLN 16 CO -0.05 0.22 -2.24 0.00 -0.67 0.00 0.00 178.83 176.09 2giw n HIS 18 N -2.85 1.68 -1.37 0.00 8.25 -0.16 -3.82 115.22 116.94 2giw n HIS 18 Ca -0.30 -3.87 -0.39 0.00 -0.26 0.00 0.00 57.72 52.90 2giw n HIS 18 Cb 1.13 -0.40 -0.02 0.00 1.12 0.00 0.00 29.99 31.81 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 1.39 3.30 -1.67 1.59 -1.04 -0.97 -4.09 114.28 112.80 2giw n THR 19 Ca 0.26 -2.43 -0.42 0.00 -2.04 0.00 0.00 64.05 59.41 2giw n THR 19 Cb 0.45 -2.50 -0.02 0.00 -1.82 0.00 0.00 70.33 66.45 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 4.68 3.02 -2.68 12.58 3.14 -1.26 -3.79 118.33 134.02 2giw n VAL 20 Ca 0.59 -2.71 -0.05 0.00 -2.96 0.00 0.00 64.34 59.20 2giw n VAL 20 Cb 0.31 -2.50 0.06 0.00 -1.06 0.00 0.00 33.84 30.65 2giw n VAL 20 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2giw n GLU 21 N 6.63 0.67 -4.04 1.45 1.02 -1.26 -4.99 120.64 120.12 2giw n GLU 21 Ca 0.51 -1.25 -0.43 0.00 -0.02 0.00 0.00 57.16 55.97 2giw n GLU 21 Cb 0.40 -0.08 0.02 0.00 -0.02 0.00 0.00 31.44 31.76 2giw n GLU 21 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2giw n LYS 22 N -0.46 -0.39 0.01 3.49 2.85 -1.25 -4.84 118.16 117.58 2giw n LYS 22 Ca -0.14 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 2giw n LYS 22 Cb 0.74 -2.24 0.00 0.00 -0.65 0.00 0.00 35.03 32.88 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 -2.00 -0.13 0.00 2.58 0.00 -1.26 -5.13 105.19 99.24 2giw n GLY 23 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 2.03 -0.75 3.45 -0.02 0.00 -1.26 -5.14 105.19 103.51 2giw n GLY 24 Ca 0.00 -1.69 -0.24 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.55 1.87 -0.04 1.61 3.01 -1.26 -5.01 119.74 118.37 2giw s LYS 25 Ca 0.00 -2.13 -0.37 0.00 -1.01 0.00 0.00 55.97 52.46 2giw s LYS 25 Cb 0.00 -0.36 -0.15 0.00 -1.01 0.00 0.00 37.83 36.31 2giw s LYS 25 CO 0.00 -0.52 1.58 0.72 0.51 0.00 0.00 175.35 177.64 2giw n HIS 26 N -0.83 1.91 -3.19 3.18 8.25 -1.26 -4.81 115.22 118.46 2giw n HIS 26 Ca -0.03 0.46 0.00 0.00 -0.26 0.00 0.00 57.72 57.90 2giw n HIS 26 Cb 0.64 -2.45 -0.01 0.00 1.12 0.00 0.00 29.99 29.29 2giw n HIS 26 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2giw s LYS 27 N 2.02 0.83 -1.48 -0.41 2.36 -1.26 -4.89 119.74 116.91 2giw s LYS 27 Ca 0.89 -0.31 -0.00 0.00 -2.55 0.00 0.00 55.97 54.00 2giw s LYS 27 Cb -0.92 0.08 0.00 0.00 -1.05 0.00 0.00 37.83 35.94 2giw s LYS 27 CO 0.52 -1.20 0.03 2.41 1.55 0.00 0.00 175.35 178.67 2giw n THR 28 N 4.35 -0.87 0.00 3.43 -1.04 -1.26 -4.54 114.28 114.35 2giw n THR 28 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 2giw n THR 28 Cb 0.57 -2.49 0.00 0.00 -1.82 0.00 0.00 70.33 66.59 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 2.51 3.78 3.41 0.00 -1.25 -4.84 105.19 107.85 2giw n GLY 29 Ca -0.20 0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.27 4.57 0.21 1.61 0.04 -1.26 -4.45 135.00 135.44 2giw s PRO 30 Ca 0.00 1.24 -0.32 0.00 0.04 0.00 0.00 61.00 61.96 2giw s PRO 30 Cb 0.00 -2.98 -0.13 0.00 0.04 0.00 0.00 34.50 31.43 2giw s PRO 30 CO 0.00 0.39 1.61 0.27 0.04 0.00 0.00 177.00 179.31 2giw n ASN 31 N 0.93 3.46 -3.19 6.66 6.94 -1.26 -4.76 115.26 124.03 2giw n ASN 31 Ca -0.01 1.09 -0.33 0.00 -0.02 0.00 0.00 54.58 55.31 2giw n ASN 31 Cb 0.49 -1.50 -0.04 0.00 -2.36 0.00 0.00 39.78 36.38 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 3.25 7.63 -0.11 -4.53 4.77 -1.26 -4.78 117.00 121.97 2giw n LEU 32 Ca 0.15 -3.93 -0.05 0.00 -0.03 0.00 0.00 56.01 52.14 2giw n LEU 32 Cb 0.32 -1.44 0.01 0.00 -2.33 0.00 0.00 43.42 39.99 2giw n LEU 32 CO 0.64 1.71 0.75 -0.74 -1.33 0.00 0.00 177.39 178.42 2giw h HIS 33 N 5.17 -0.36 0.00 -1.77 2.76 -1.95 -3.36 115.15 115.64 2giw h HIS 33 Ca 0.74 0.04 -0.18 0.00 -2.20 0.00 0.00 60.37 58.77 2giw h HIS 33 Cb 0.33 0.22 -0.15 0.00 1.55 0.00 0.00 27.41 29.36 2giw h HIS 33 CO 1.89 -0.23 -0.28 0.41 -1.30 0.00 0.00 177.93 178.42 2giw n GLY 34 N -1.34 1.85 0.00 5.26 0.00 -1.26 -4.51 105.19 105.18 2giw n GLY 34 Ca 0.02 -0.16 0.00 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 -1.32 0.00 -4.51 0.99 4.77 -1.26 -1.86 117.00 113.80 2giw n LEU 35 Ca -0.14 0.30 -0.38 0.00 -0.03 0.00 0.00 56.01 55.75 2giw n LEU 35 Cb 0.87 -0.07 -0.13 0.00 -2.33 0.00 0.00 43.42 41.76 2giw n LEU 35 CO -0.14 -0.07 2.16 0.49 -1.33 0.00 0.00 177.39 178.50 2giw n PHE 36 N -1.23 0.72 0.00 -1.77 3.72 -1.05 -0.33 117.46 117.52 2giw n PHE 36 Ca 0.00 0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.69 2giw n PHE 36 Cb 0.00 -2.31 0.00 0.00 -0.94 0.00 0.00 39.48 36.23 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 6.33 3.09 3.65 1.37 0.00 -0.95 -5.04 105.19 113.64 2giw n GLY 37 Ca 0.59 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 2giw n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2giw s ARG 38 N 0.00 4.09 0.21 1.61 3.00 0.55 -4.93 118.95 123.48 2giw s ARG 38 Ca 0.00 2.00 -0.32 0.00 0.00 0.00 0.00 55.73 57.41 2giw s ARG 38 Cb 0.00 -3.97 -0.11 0.00 0.00 0.00 0.00 34.95 30.87 2giw s ARG 38 CO 0.00 -0.94 1.66 -1.59 0.00 0.00 0.00 175.30 174.43 2giw s LYS 39 N 4.12 4.15 0.00 3.54 0.00 -1.26 -4.13 119.74 126.17 2giw s LYS 39 Ca 0.71 2.53 0.00 0.00 0.00 0.00 0.00 55.97 59.21 2giw s LYS 39 Cb -0.30 -3.09 0.00 0.00 0.00 0.00 0.00 37.83 34.44 2giw s LYS 39 CO 0.27 -0.69 0.00 -2.37 0.00 0.00 0.00 175.35 172.56 2giw n THR 40 N 3.76 0.00 -1.04 3.79 5.66 -0.03 -4.62 114.28 121.80 2giw n THR 40 Ca 0.14 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.13 2giw n THR 40 Cb 0.36 -1.92 -0.01 0.00 -1.55 0.00 0.00 70.33 67.22 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 0.49 3.12 1.09 0.00 -1.26 -4.41 105.19 109.23 2giw n GLY 41 Ca 0.00 -0.24 0.03 0.00 0.00 0.00 0.00 46.02 45.81 2giw n GLY 41 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2giw s GLN 42 N -1.05 0.51 0.21 1.61 0.74 -1.26 -4.80 119.66 115.61 2giw s GLN 42 Ca 0.00 0.18 0.09 0.00 0.05 0.00 0.00 55.36 55.68 2giw s GLN 42 Cb 0.00 0.15 -0.04 0.00 1.10 0.00 0.00 33.01 34.22 2giw s GLN 42 CO 0.00 -0.85 -0.03 0.00 -0.55 0.00 0.00 175.29 173.86 2giw s ALA 43 N 2.49 3.10 -1.30 1.58 0.00 -1.26 -5.04 121.76 121.33 2giw s ALA 43 Ca 0.16 -1.50 0.16 0.00 0.00 0.00 0.00 51.96 50.77 2giw s ALA 43 Cb -0.05 -0.83 0.76 0.00 0.00 0.00 0.00 23.12 23.00 2giw s ALA 43 CO -0.19 0.40 1.47 -0.35 0.00 0.00 0.00 175.76 177.09 2giw n PRO 44 N -0.34 0.16 0.00 0.00 -0.04 -1.26 -4.58 135.00 128.95 2giw n PRO 44 Ca -0.09 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2giw n PRO 44 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.08 -1.08 3.57 0.55 0.00 -1.26 -5.02 105.19 102.02 2giw n GLY 45 Ca 0.06 0.39 -0.35 0.00 0.00 0.00 0.00 46.02 46.12 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 2.27 -0.71 1.61 5.36 -1.26 -4.76 117.98 120.49 2giw s PHE 46 Ca 0.00 -0.33 -0.02 0.00 -0.96 0.00 0.00 56.93 55.62 2giw s PHE 46 Cb 0.00 -4.40 0.42 0.00 -0.34 0.00 0.00 43.02 38.70 2giw s PHE 46 CO 0.00 -1.74 2.04 -2.37 -1.46 0.00 0.00 175.22 171.69 2giw n THR 47 N 7.24 3.62 -4.42 0.12 5.66 -1.26 -4.76 114.28 120.48 2giw n THR 47 Ca 0.40 -3.23 0.00 0.00 -3.05 0.00 0.00 64.05 58.17 2giw n THR 47 Cb 0.48 -1.18 0.00 0.00 -1.55 0.00 0.00 70.33 68.08 2giw n THR 47 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 2giw n TYR 48 N -0.80 -0.41 -1.27 1.09 4.01 -1.26 -4.12 117.16 114.39 2giw n TYR 48 Ca 0.60 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 58.06 2giw n TYR 48 Cb 0.56 0.08 0.17 0.00 -0.31 0.00 0.00 39.34 39.84 2giw n TYR 48 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2giw s THR 49 N 0.00 2.04 0.21 -0.72 -4.23 -1.26 -4.85 115.64 106.84 2giw s THR 49 Ca 0.00 0.01 -0.09 0.00 -1.18 0.00 0.00 61.69 60.43 2giw s THR 49 Cb 0.00 -2.58 0.15 0.00 1.34 0.00 0.00 72.50 71.41 2giw s THR 49 CO 0.00 -0.02 1.82 -2.24 -0.54 0.00 0.00 174.62 173.64 2giw h ASP 50 N -1.80 0.62 -0.06 3.99 2.03 -1.94 0.98 116.42 120.25 2giw h ASP 50 Ca -0.54 0.02 -0.00 0.00 -0.73 0.00 0.00 57.03 55.78 2giw h ASP 50 Cb 1.33 -0.11 -0.00 0.00 -0.83 0.00 0.00 39.33 39.72 2giw h ASP 50 CO 0.59 0.41 0.04 0.00 -1.03 0.00 0.00 179.24 179.25 2giw h ALA 51 N 1.34 0.08 -0.27 4.15 0.00 -1.93 0.43 119.26 123.05 2giw h ALA 51 Ca 0.30 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2giw h ALA 51 Cb 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2giw h ALA 51 CO -0.16 -0.40 -0.10 -0.91 0.00 0.00 0.00 179.25 177.68 2giw h ASN 52 N 0.04 0.57 -0.98 0.00 4.21 -1.55 -3.14 115.58 114.73 2giw h ASN 52 Ca 0.02 -0.39 0.07 0.00 1.21 0.00 0.00 56.30 57.21 2giw h ASN 52 Cb 0.05 -0.16 -0.07 0.00 -1.12 0.00 0.00 38.32 37.03 2giw h ASN 52 CO -0.00 0.83 0.63 0.50 -1.29 0.00 0.00 177.43 178.10 2giw h LYS 53 N 0.30 1.07 0.00 0.81 3.11 -0.47 -0.66 116.57 120.74 2giw h LYS 53 Ca 0.06 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2giw h LYS 53 Cb 0.60 -0.24 0.00 0.00 -1.00 0.00 0.00 32.23 31.59 2giw h LYS 53 CO 0.03 0.71 0.00 -1.71 -2.81 0.00 0.00 179.45 175.68 2giw n ASN 54 N -4.51 0.57 0.04 4.20 5.15 0.15 -4.15 115.26 116.71 2giw n ASN 54 Ca 0.15 0.69 -0.12 0.00 -0.60 0.00 0.00 54.58 54.71 2giw n ASN 54 Cb 0.21 -0.79 -0.09 0.00 -0.53 0.00 0.00 39.78 38.58 2giw n ASN 54 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 2giw h LYS 55 N 0.00 -0.17 -5.70 1.20 1.63 -1.16 -3.49 116.57 108.88 2giw h LYS 55 Ca 0.00 0.01 -0.21 0.00 -0.85 0.00 0.00 60.65 59.60 2giw h LYS 55 Cb 0.19 0.04 0.08 0.00 -0.60 0.00 0.00 32.23 31.94 2giw h LYS 55 CO 0.00 0.30 -0.54 0.41 -3.45 0.00 0.00 179.45 176.16 2giw n GLY 56 N 0.43 -1.18 3.78 5.01 0.00 -1.26 -5.02 105.19 106.95 2giw n GLY 56 Ca -0.08 0.52 -0.28 0.00 0.00 0.00 0.00 46.02 46.17 2giw n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2giw s ILE 57 N -3.20 1.72 -0.49 -0.61 -4.36 -1.26 -4.94 121.20 108.05 2giw s ILE 57 Ca 0.23 -1.77 0.15 0.00 -0.26 0.00 0.00 60.65 59.00 2giw s ILE 57 Cb -0.05 -2.48 0.57 0.00 1.25 0.00 0.00 42.46 41.75 2giw s ILE 57 CO 0.78 0.00 1.48 0.41 0.24 0.00 0.00 174.94 177.86 2giw n THR 58 N -1.37 2.06 -3.71 8.37 -1.04 -1.26 -0.85 114.28 116.47 2giw n THR 58 Ca -0.08 -1.53 -0.22 0.00 -2.04 0.00 0.00 64.05 60.19 2giw n THR 58 Cb 0.65 -0.05 0.01 0.00 -1.82 0.00 0.00 70.33 69.12 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 0.14 -0.81 -2.49 -1.42 5.03 -1.26 -2.25 117.44 114.39 2giw n TRP 59 Ca 0.21 0.14 -0.25 0.00 3.03 0.00 0.00 57.50 60.63 2giw n TRP 59 Cb 0.86 -1.43 0.13 0.00 -1.03 0.00 0.00 31.31 29.84 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 -5.53 1.41 0.00 -0.99 0.00 -1.26 -2.53 119.74 110.83 2giw s LYS 60 Ca 0.19 -1.06 -0.03 0.00 0.00 0.00 0.00 55.97 55.07 2giw s LYS 60 Cb -0.10 -2.24 -0.13 0.00 0.00 0.00 0.00 37.83 35.35 2giw s LYS 60 CO 0.50 -1.68 2.45 -0.85 0.00 0.00 0.00 175.35 175.77 2giw n GLU 61 N -3.03 1.28 0.16 1.78 0.28 -1.26 -1.79 120.64 118.06 2giw n GLU 61 Ca 0.16 -0.49 0.00 0.00 -0.16 0.00 0.00 57.16 56.67 2giw n GLU 61 Cb 0.60 -1.59 0.00 0.00 1.43 0.00 0.00 31.44 31.88 2giw n GLU 61 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2giw n GLU 62 N 2.22 0.00 -0.17 3.44 1.02 -1.26 -4.77 120.64 121.12 2giw n GLU 62 Ca 0.21 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.27 2giw n GLU 62 Cb 0.60 0.00 0.01 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 1.19 -0.50 2.62 1.35 -1.86 -0.57 112.91 115.15 2giw h THR 63 Ca 0.00 -0.54 0.04 0.00 -0.55 0.00 0.00 66.41 65.36 2giw h THR 63 Cb 0.00 0.64 -0.04 0.00 -1.73 0.00 0.00 68.15 67.02 2giw h THR 63 CO 0.00 0.21 0.26 -0.07 -0.25 0.00 0.00 175.52 175.67 2giw h LEU 64 N 0.65 0.37 -0.07 3.87 4.07 -1.66 -1.02 115.31 121.53 2giw h LEU 64 Ca 0.17 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.15 2giw h LEU 64 Cb 0.12 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 41.81 2giw h LEU 64 CO -0.02 0.26 0.01 -0.03 -1.08 0.00 0.00 178.44 177.58 2giw h MET 65 N 0.50 0.11 0.11 1.13 4.05 -1.56 0.09 114.93 119.37 2giw h MET 65 Ca 0.22 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.62 2giw h MET 65 Cb 0.11 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 2giw h MET 65 CO -0.15 0.33 -0.18 1.49 0.23 0.00 0.00 176.91 178.63 2giw h GLU 66 N -0.12 -0.33 0.25 0.39 4.22 -1.10 -0.89 114.58 117.00 2giw h GLU 66 Ca 0.02 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.49 2giw h GLU 66 Cb 0.27 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 2giw h GLU 66 CO 0.00 -0.22 -0.53 -0.92 -2.18 0.00 0.00 179.01 175.16 2giw h TYR 67 N -0.35 -1.50 -1.00 0.92 3.20 -1.05 -0.36 116.97 116.84 2giw h TYR 67 Ca 0.02 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.99 2giw h TYR 67 Cb 0.36 0.62 -0.07 0.00 1.54 0.00 0.00 36.73 39.18 2giw h TYR 67 CO -0.17 -0.63 0.65 -0.07 -1.64 0.00 0.00 178.16 176.29 2giw h LEU 68 N -0.85 1.03 -0.41 2.82 -0.00 -0.92 0.90 115.31 117.89 2giw h LEU 68 Ca -0.03 0.01 0.01 0.00 -0.00 0.00 0.00 57.88 57.88 2giw h LEU 68 Cb 0.81 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 41.23 2giw h LEU 68 CO -0.21 0.66 0.25 -0.08 -0.00 0.00 0.00 178.44 179.06 2giw h GLU 69 N 1.17 0.49 -0.75 1.13 4.81 -0.70 -3.42 114.58 117.32 2giw h GLU 69 Ca 0.43 -0.03 -0.28 0.00 -0.13 0.00 0.00 59.36 59.34 2giw h GLU 69 Cb 0.16 -0.11 -0.20 0.00 0.63 0.00 0.00 28.75 29.22 2giw h GLU 69 CO -0.17 0.32 -0.62 -1.71 -0.73 0.00 0.00 179.01 176.10 2giw n ASN 70 N -4.84 -2.39 -0.03 1.04 2.85 -0.18 -4.84 115.26 106.87 2giw n ASN 70 Ca 0.01 -3.04 -0.11 0.00 -0.11 0.00 0.00 54.58 51.33 2giw n ASN 70 Cb 0.05 1.25 -0.06 0.00 1.24 0.00 0.00 39.78 42.26 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 4.38 0.19 0.00 1.20 0.13 -1.08 0.46 132.00 137.28 2giw h PRO 71 Ca -0.03 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2giw h PRO 71 Cb 1.02 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2giw h PRO 71 CO 0.27 0.32 0.00 0.36 -0.23 0.00 0.00 178.00 178.72 2giw n LYS 72 N -4.88 0.13 -0.12 0.86 -0.00 -1.26 -1.32 118.16 111.57 2giw n LYS 72 Ca -0.05 0.16 -0.25 0.00 -0.00 0.00 0.00 58.31 58.17 2giw n LYS 72 Cb 0.13 -1.50 -0.08 0.00 -0.00 0.00 0.00 35.03 33.58 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 -1.20 0.51 -0.26 -1.58 0.00 -0.02 -4.52 118.16 111.09 2giw n LYS 73 Ca 0.04 0.22 0.06 0.00 0.00 0.00 0.00 58.31 58.63 2giw n LYS 73 Cb 0.05 -1.35 0.19 0.00 0.00 0.00 0.00 35.03 33.91 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 0.21 -3.21 5.64 3.20 -0.81 -3.39 116.97 117.74 2giw h TYR 74 Ca -0.57 0.05 -0.51 0.00 3.14 0.00 0.00 58.73 60.84 2giw h TYR 74 Cb 1.49 0.03 -0.37 0.00 1.54 0.00 0.00 36.73 39.41 2giw h TYR 74 CO -0.10 -0.14 -0.79 -1.50 -1.64 0.00 0.00 178.16 173.99 2giw s ILE 75 N -6.05 0.86 -1.55 1.81 2.07 -0.44 -5.03 121.20 112.88 2giw s ILE 75 Ca -0.13 -0.21 -0.12 0.00 -1.41 0.00 0.00 60.65 58.79 2giw s ILE 75 Cb 0.22 -0.93 -0.03 0.00 0.13 0.00 0.00 42.46 41.85 2giw s ILE 75 CO 0.76 0.32 2.63 -0.81 -1.91 0.00 0.00 174.94 175.92 2giw n PRO 76 N 4.99 3.36 0.00 3.50 -0.04 -1.26 -4.28 135.00 141.27 2giw n PRO 76 Ca -0.11 -2.41 0.00 0.00 -0.04 0.00 0.00 63.50 60.94 2giw n PRO 76 Cb 0.50 -3.01 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 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 3.76 2.72 3.10 0.55 0.00 -1.26 -4.96 105.19 109.10 2giw n GLY 77 Ca 0.67 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 46.37 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 0.16 -1.21 2.61 -1.32 -1.26 -3.20 115.64 111.42 2giw s THR 78 Ca 0.00 -1.31 0.28 0.00 -1.21 0.00 0.00 61.69 59.45 2giw s THR 78 Cb 0.00 -1.07 0.28 0.00 -1.51 0.00 0.00 72.50 70.20 2giw s THR 78 CO 0.00 -0.73 1.83 0.29 -2.21 0.00 0.00 174.62 173.80 2giw n LYS 79 N 0.56 0.21 -2.31 7.08 5.02 -1.26 -4.91 118.16 122.56 2giw n LYS 79 Ca -0.17 -0.05 -0.39 0.00 -2.02 0.00 0.00 58.31 55.67 2giw n LYS 79 Cb 0.59 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.08 2giw n LYS 79 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2giw s MET 80 N -2.82 4.21 -0.47 1.97 1.75 -1.26 -5.01 119.30 117.67 2giw s MET 80 Ca 0.19 1.88 0.03 0.00 -1.25 0.00 0.00 55.69 56.53 2giw s MET 80 Cb 0.19 -2.82 0.14 0.00 2.84 0.00 0.00 34.83 35.18 2giw s MET 80 CO 0.54 -0.20 0.26 0.42 -0.65 0.00 0.00 175.02 175.39 2giw s ILE 81 N -1.34 1.74 0.19 10.11 -1.09 -1.26 -4.94 121.20 124.62 2giw s ILE 81 Ca 0.54 -2.83 -0.20 0.00 -2.23 0.00 0.00 60.65 55.92 2giw s ILE 81 Cb -0.32 -2.21 0.04 0.00 -1.58 0.00 0.00 42.46 38.39 2giw s ILE 81 CO 0.41 -0.89 0.59 0.12 -1.23 0.00 0.00 174.94 173.94 2giw s PHE 82 N 0.10 -0.31 0.00 3.97 5.36 -1.26 -5.08 117.98 120.76 2giw s PHE 82 Ca 0.18 -0.00 0.00 0.00 -0.96 0.00 0.00 56.93 56.15 2giw s PHE 82 Cb -0.23 0.52 0.00 0.00 -0.34 0.00 0.00 43.02 42.97 2giw s PHE 82 CO -0.01 -0.94 0.00 0.00 -1.46 0.00 0.00 175.22 172.81 2giw n ALA 83 N -0.37 0.44 -3.38 11.12 0.00 -1.26 -4.63 120.51 122.43 2giw n ALA 83 Ca -0.12 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.17 2giw n ALA 83 Cb 0.63 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.42 -0.36 0.00 0.00 0.00 -1.26 -4.72 107.32 98.57 2giw s GLY 84 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 44.72 45.67 2giw s GLY 84 CO 0.00 0.69 0.00 4.51 0.00 0.00 0.00 173.10 178.30 2giw n ILE 85 N 1.52 0.00 0.00 0.90 3.06 -1.26 -5.09 119.36 118.49 2giw n ILE 85 Ca -0.19 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.06 2giw n ILE 85 Cb 0.56 -0.43 0.00 0.00 0.54 0.00 0.00 39.64 40.31 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 -2.11 0.00 -2.80 9.51 4.81 -1.26 -5.08 118.16 121.22 2giw n LYS 86 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 2giw n LYS 86 Cb 0.37 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.42 2giw n LYS 86 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2giw s LYS 87 N 1.64 0.25 0.00 1.64 2.47 -1.26 -5.00 119.74 119.47 2giw s LYS 87 Ca 0.00 -0.10 0.00 0.00 -1.56 0.00 0.00 55.97 54.31 2giw s LYS 87 Cb 0.00 0.02 0.00 0.00 -1.46 0.00 0.00 37.83 36.39 2giw s LYS 87 CO 0.00 -0.36 0.00 1.17 0.16 0.00 0.00 175.35 176.32 2giw n LYS 88 N 3.64 0.00 -0.08 4.03 4.81 -1.26 -4.42 118.16 124.88 2giw n LYS 88 Ca 0.07 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.40 2giw n LYS 88 Cb 0.63 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.63 2giw n LYS 88 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2giw h THR 89 N 0.00 0.13 -0.98 3.15 2.02 -2.00 -2.56 112.91 112.66 2giw h THR 89 Ca 0.00 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.35 2giw h THR 89 Cb 0.00 0.13 -0.17 0.00 -1.74 0.00 0.00 68.15 66.37 2giw h THR 89 CO 0.00 0.00 -0.32 1.05 0.37 0.00 0.00 175.52 176.62 2giw h GLU 90 N -0.39 -0.00 -1.13 6.66 -0.00 -1.95 0.31 114.58 118.08 2giw h GLU 90 Ca 0.11 0.00 0.32 0.00 -0.00 0.00 0.00 59.36 59.79 2giw h GLU 90 Cb 0.60 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 29.28 2giw h GLU 90 CO -0.50 -0.00 0.79 -0.09 -0.00 0.00 0.00 179.01 179.20 2giw h ARG 91 N -0.00 0.12 0.01 1.06 9.65 -1.81 0.34 114.38 123.74 2giw h ARG 91 Ca 0.41 -0.01 -0.38 0.00 -1.10 0.00 0.00 59.98 58.90 2giw h ARG 91 Cb 0.66 -0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 29.14 2giw h ARG 91 CO -1.00 0.08 -2.42 -1.91 2.80 0.00 0.00 179.97 177.52 2giw n GLU 92 N -4.34 0.67 0.43 0.20 4.07 0.04 -4.20 120.64 117.50 2giw n GLU 92 Ca 0.25 0.12 -0.18 0.00 -0.06 0.00 0.00 57.16 57.29 2giw n GLU 92 Cb 1.12 -1.53 -0.09 0.00 -0.06 0.00 0.00 31.44 30.88 2giw n GLU 92 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 2giw h ASP 93 N 0.00 -0.92 -0.43 4.31 3.58 0.13 0.29 116.42 123.38 2giw h ASP 93 Ca -0.56 0.02 0.08 0.00 0.42 0.00 0.00 57.03 56.99 2giw h ASP 93 Cb 2.00 0.24 -0.07 0.00 1.72 0.00 0.00 39.33 43.22 2giw h ASP 93 CO -0.05 -0.60 0.00 -0.07 -2.88 0.00 0.00 179.24 175.65 2giw h LEU 94 N -1.21 -0.18 0.00 2.28 -0.00 -1.27 -0.23 115.31 114.71 2giw h LEU 94 Ca -0.11 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2giw h LEU 94 Cb 0.85 0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.69 2giw h LEU 94 CO 0.18 -0.05 0.00 -0.38 -0.00 0.00 0.00 178.44 178.19 2giw n ILE 95 N -5.21 0.00 -0.10 1.22 2.08 -1.07 -1.24 119.36 115.04 2giw n ILE 95 Ca 0.04 0.00 -0.19 0.00 0.56 0.00 0.00 62.75 63.15 2giw n ILE 95 Cb 0.23 -0.36 -0.06 0.00 -0.75 0.00 0.00 39.64 38.69 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 -0.80 1.33 -0.08 -1.39 0.00 0.10 -4.01 120.51 115.66 2giw n ALA 96 Ca 0.12 -0.87 -0.13 0.00 0.00 0.00 0.00 53.44 52.56 2giw n ALA 96 Cb 0.06 0.14 -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 -0.87 -1.53 0.00 0.00 3.20 -1.03 -1.85 116.97 114.89 2giw h TYR 97 Ca -0.39 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.55 2giw h TYR 97 Cb 1.29 0.71 -0.00 0.00 1.54 0.00 0.00 36.73 40.27 2giw h TYR 97 CO -0.19 -0.50 -0.02 -0.07 -1.64 0.00 0.00 178.16 175.75 2giw h LEU 98 N -0.45 0.00 -0.89 2.82 3.38 -1.40 0.25 115.31 119.02 2giw h LEU 98 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2giw h LEU 98 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2giw h LEU 98 CO -0.52 0.02 0.00 0.50 0.09 0.00 0.00 178.44 178.52 2giw h LYS 99 N 0.00 0.00 0.00 1.13 3.64 -1.47 -2.65 116.57 117.22 2giw h LYS 99 Ca -0.00 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 2giw h LYS 99 Cb 0.18 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 2giw h LYS 99 CO 0.00 0.00 -1.80 1.17 -2.27 0.00 0.00 179.45 176.55 2giw n LYS 100 N -2.55 1.95 -0.32 1.90 4.81 0.03 -4.68 118.16 119.30 2giw n LYS 100 Ca 0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.44 2giw n LYS 100 Cb 0.28 -1.30 0.14 0.00 0.02 0.00 0.00 35.03 34.17 2giw n LYS 100 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2giw h ALA 101 N 0.53 1.30 0.00 3.14 0.00 -0.27 0.18 119.26 124.14 2giw h ALA 101 Ca -0.32 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2giw h ALA 101 Cb 1.70 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2giw h ALA 101 CO 0.01 0.62 0.03 0.25 0.00 0.00 0.00 179.25 180.17 2giw n THR 102 N -4.37 1.00 -2.86 0.00 -2.24 -1.06 -2.58 114.28 102.16 2giw n THR 102 Ca 0.10 0.74 -0.12 0.00 -2.27 0.00 0.00 64.05 62.50 2giw n THR 102 Cb 0.04 -1.74 0.02 0.00 -2.10 0.00 0.00 70.33 66.55 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 -2.24 0.64 -0.01 3.42 5.15 0.50 -4.59 115.26 118.13 2giw n ASN 103 Ca -0.01 -2.87 0.00 0.00 -0.60 0.00 0.00 54.58 51.10 2giw n ASN 103 Cb 0.06 -0.24 0.00 0.00 -0.53 0.00 0.00 39.78 39.07 2giw n ASN 103 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82