#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 -0.26 0.22 1.61 -1.08 -1.25 -4.81 116.67 111.10 2giw s ASP 2 Ca 0.00 -0.57 -0.04 0.00 -0.52 0.00 0.00 52.55 51.42 2giw s ASP 2 Cb 0.00 0.65 0.21 0.00 -1.46 0.00 0.00 42.92 42.32 2giw s ASP 2 CO 0.00 -1.20 1.63 -0.37 0.52 0.00 0.00 175.17 175.75 2giw h VAL 3 N 2.09 1.27 0.03 1.11 -1.51 -1.85 0.22 116.25 117.62 2giw h VAL 3 Ca -0.24 -1.35 -0.00 0.00 -1.23 0.00 0.00 66.70 63.88 2giw h VAL 3 Cb 1.26 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.67 2giw h VAL 3 CO 0.30 0.45 -0.01 -0.33 -1.23 0.00 0.00 177.57 176.75 2giw h GLU 4 N 0.63 -0.04 -0.02 5.19 4.39 -1.97 0.37 114.58 123.14 2giw h GLU 4 Ca 0.09 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 2giw h GLU 4 Cb 0.74 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.40 2giw h GLU 4 CO 0.06 0.35 0.01 0.87 -1.16 0.00 0.00 179.01 179.14 2giw h LYS 5 N -0.43 0.02 -0.19 2.33 1.79 -1.93 -2.93 116.57 115.23 2giw h LYS 5 Ca -0.00 -0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.52 2giw h LYS 5 Cb 0.40 -0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.98 2giw h LYS 5 CO 0.01 0.08 -0.34 0.78 -1.08 0.00 0.00 179.45 178.89 2giw h GLY 6 N -0.04 -0.45 1.53 3.86 0.00 -0.41 0.12 103.07 107.69 2giw h GLY 6 Ca 0.01 0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.76 2giw h GLY 6 CO -0.00 -0.22 0.28 0.07 0.00 0.00 0.00 176.54 176.67 2giw h LYS 7 N -0.38 0.63 0.19 4.80 2.10 -0.95 0.16 116.57 123.12 2giw h LYS 7 Ca 0.11 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.70 2giw h LYS 7 Cb 0.56 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 2giw h LYS 7 CO -0.40 0.44 -0.09 0.87 -2.00 0.00 0.00 179.45 178.26 2giw h LYS 8 N 0.64 -0.25 -0.37 0.07 1.79 -1.03 -1.01 116.57 116.41 2giw h LYS 8 Ca 0.17 0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.57 2giw h LYS 8 Cb -0.03 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 2giw h LYS 8 CO -0.03 0.14 -0.10 0.82 -1.08 0.00 0.00 179.45 179.20 2giw h ILE 9 N -0.76 1.28 -0.06 1.86 1.08 -0.77 0.06 117.51 120.19 2giw h ILE 9 Ca -0.03 -1.18 0.01 0.00 -0.39 0.00 0.00 64.86 63.27 2giw h ILE 9 Cb 0.51 1.27 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 2giw h ILE 9 CO 0.04 0.39 -0.19 0.15 -0.69 0.00 0.00 178.15 177.86 2giw h PHE 10 N 0.53 -0.56 -0.99 1.37 3.57 -0.76 -1.35 116.94 118.74 2giw h PHE 10 Ca 0.09 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.76 2giw h PHE 10 Cb 0.62 0.25 -0.09 0.00 2.79 0.00 0.00 35.95 39.52 2giw h PHE 10 CO 0.05 -0.18 0.62 0.28 -2.23 0.00 0.00 178.31 176.85 2giw h VAL 11 N -0.19 0.86 -0.35 1.41 2.07 -0.93 0.79 116.25 119.91 2giw h VAL 11 Ca 0.01 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 67.29 2giw h VAL 11 Cb 0.23 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 2giw h VAL 11 CO -0.16 0.16 0.24 1.56 0.02 0.00 0.00 177.57 179.39 2giw h GLN 12 N 0.90 0.21 0.00 1.57 4.20 -0.49 -3.26 115.11 118.23 2giw h GLN 12 Ca 0.51 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 59.05 2giw h GLN 12 Cb 0.62 -0.05 -0.29 0.00 0.30 0.00 0.00 27.48 28.07 2giw h GLN 12 CO -0.28 0.14 -0.75 0.36 -0.67 0.00 0.00 178.83 177.63 2giw n LYS 13 N -4.47 0.00 0.00 1.46 -0.00 0.44 -4.90 118.16 110.69 2giw n LYS 13 Ca 0.04 -1.60 0.00 0.00 -0.00 0.00 0.00 58.31 56.75 2giw n LYS 13 Cb 0.27 0.18 0.00 0.00 -0.00 0.00 0.00 35.03 35.48 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 2.25 -1.00 0.00 0.00 -1.58 0.91 119.26 119.84 2giw h ALA 15 Ca 0.00 0.01 0.32 0.00 0.00 0.00 0.00 54.91 55.24 2giw h ALA 15 Cb 0.22 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 17.84 2giw h ALA 15 CO 0.00 -0.50 0.57 0.37 0.00 0.00 0.00 179.25 179.69 2giw h GLN 16 N 0.35 0.33 0.01 0.00 4.15 -1.90 -1.25 115.11 116.81 2giw h GLN 16 Ca 0.43 -0.02 -0.35 0.00 0.77 0.00 0.00 58.65 59.48 2giw h GLN 16 Cb 1.11 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.67 2giw h GLN 16 CO -0.14 0.22 -2.15 0.00 -1.93 0.00 0.00 178.83 174.83 2giw s HIS 18 N -2.54 2.02 -0.54 0.00 3.76 -0.16 -3.04 115.29 114.79 2giw s HIS 18 Ca -0.14 -2.64 0.17 0.00 -0.15 0.00 0.00 55.06 52.31 2giw s HIS 18 Cb 0.07 -1.66 0.82 0.00 1.11 0.00 0.00 32.58 32.92 2giw s HIS 18 CO 0.78 -0.73 1.52 0.25 -0.85 0.00 0.00 174.74 175.72 2giw n THR 19 N 2.74 1.16 -3.69 1.30 -2.24 -1.12 -4.09 114.28 108.34 2giw n THR 19 Ca 0.22 0.48 -0.26 0.00 -2.27 0.00 0.00 64.05 62.22 2giw n THR 19 Cb 0.41 -1.43 -0.04 0.00 -2.10 0.00 0.00 70.33 67.17 2giw n THR 19 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2giw n VAL 20 N -2.01 -0.22 0.00 2.28 0.24 -1.26 -4.79 118.33 112.58 2giw n VAL 20 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 2giw n VAL 20 Cb 0.10 -0.63 0.00 0.00 -1.47 0.00 0.00 33.84 31.85 2giw n VAL 20 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2giw n GLU 21 N -3.53 1.92 -1.97 7.34 1.02 -1.26 -4.95 120.64 119.21 2giw n GLU 21 Ca 0.06 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.01 2giw n GLU 21 Cb 0.48 -0.86 -0.05 0.00 -0.02 0.00 0.00 31.44 31.00 2giw n GLU 21 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2giw n LYS 22 N -1.35 -1.61 -0.09 3.49 4.76 -1.26 -4.83 118.16 117.27 2giw n LYS 22 Ca 0.00 1.00 -0.20 0.00 -2.87 0.00 0.00 58.31 56.24 2giw n LYS 22 Cb 0.00 -5.50 -0.07 0.00 -1.84 0.00 0.00 35.03 27.62 2giw n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2giw n GLY 23 N -0.65 -0.30 0.00 0.72 0.00 -1.26 -4.99 105.19 98.71 2giw n GLY 23 Ca -0.20 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 1.83 0.74 3.83 -0.02 0.00 -1.26 -5.12 105.19 105.18 2giw n GLY 24 Ca -0.37 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 2.03 0.00 1.61 2.47 -1.26 -5.15 119.74 119.44 2giw s LYS 25 Ca 0.00 -1.24 0.00 0.00 -1.56 0.00 0.00 55.97 53.17 2giw s LYS 25 Cb 0.00 0.61 0.00 0.00 -1.46 0.00 0.00 37.83 36.98 2giw s LYS 25 CO 0.00 -0.94 0.00 -2.39 0.16 0.00 0.00 175.35 172.18 2giw n HIS 26 N -0.50 0.00 0.00 4.03 1.44 -1.26 -4.66 115.22 114.26 2giw n HIS 26 Ca -0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.64 2giw n HIS 26 Cb 0.60 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.71 2giw n HIS 26 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2giw n LYS 27 N 0.00 0.00 -0.06 -1.40 0.00 -1.26 -3.55 118.16 111.89 2giw n LYS 27 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 58.31 58.36 2giw n LYS 27 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 35.03 35.11 2giw n LYS 27 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2giw n THR 28 N 0.00 0.42 -3.30 3.15 -1.04 -1.26 -4.97 114.28 107.28 2giw n THR 28 Ca 0.00 -0.71 0.03 0.00 -2.04 0.00 0.00 64.05 61.33 2giw n THR 28 Cb 0.00 0.90 -0.04 0.00 -1.82 0.00 0.00 70.33 69.37 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 -0.87 0.28 0.06 3.41 0.00 -1.17 -4.86 107.32 104.17 2giw s GLY 29 Ca 0.15 3.61 -0.31 0.00 0.00 0.00 0.00 44.72 48.17 2giw s GLY 29 CO 0.12 3.25 1.70 2.56 0.00 0.00 0.00 173.10 180.73 2giw s PRO 30 N 1.91 4.18 -0.09 2.90 0.04 -1.26 -4.31 135.00 138.38 2giw s PRO 30 Ca -0.02 2.37 -0.35 0.00 0.04 0.00 0.00 61.00 63.05 2giw s PRO 30 Cb -0.02 -3.67 -0.12 0.00 0.04 0.00 0.00 34.50 30.74 2giw s PRO 30 CO -0.15 -0.77 1.85 0.09 0.04 0.00 0.00 177.00 178.05 2giw n ASN 31 N 5.86 3.33 -1.97 6.66 4.13 -1.26 -4.79 115.26 127.22 2giw n ASN 31 Ca 0.16 0.99 -0.11 0.00 1.68 0.00 0.00 54.58 57.30 2giw n ASN 31 Cb 0.40 -1.35 -0.15 0.00 -1.54 0.00 0.00 39.78 37.14 2giw n ASN 31 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2giw n LEU 32 N 6.30 5.28 -3.75 3.41 4.77 -1.26 -4.79 117.00 126.96 2giw n LEU 32 Ca 0.23 -3.13 -0.42 0.00 -0.03 0.00 0.00 56.01 52.65 2giw n LEU 32 Cb 0.28 -1.39 -0.02 0.00 -2.33 0.00 0.00 43.42 39.97 2giw n LEU 32 CO 0.73 1.64 2.50 1.57 -1.33 0.00 0.00 177.39 182.50 2giw n HIS 33 N 2.37 3.16 0.00 -1.77 -0.00 -1.26 -4.26 115.22 113.45 2giw n HIS 33 Ca 0.39 -2.66 0.00 0.00 0.46 0.00 0.00 57.72 55.92 2giw n HIS 33 Cb 0.87 -2.35 0.00 0.00 -0.12 0.00 0.00 29.99 28.39 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 4.29 -1.46 7.00 1.57 0.00 -1.26 -5.06 105.19 110.26 2giw n GLY 34 Ca 0.51 0.49 0.00 0.00 0.00 0.00 0.00 46.02 47.03 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 -4.44 0.99 4.77 -1.26 -4.43 117.00 112.63 2giw n LEU 35 Ca 0.00 0.00 -0.47 0.00 -0.03 0.00 0.00 56.01 55.51 2giw n LEU 35 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 2giw n LEU 35 CO 0.00 0.00 1.94 0.49 -1.33 0.00 0.00 177.39 178.49 2giw n PHE 36 N 0.00 1.21 0.00 -1.77 3.72 -0.71 -0.20 117.46 119.71 2giw n PHE 36 Ca 0.00 0.36 0.00 0.00 -0.05 0.00 0.00 57.45 57.76 2giw n PHE 36 Cb 0.00 -2.47 0.00 0.00 -0.94 0.00 0.00 39.48 36.07 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 6.61 2.91 3.63 1.37 0.00 -0.83 -5.01 105.19 113.87 2giw n GLY 37 Ca 0.50 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.51 3.97 0.03 1.61 6.06 0.72 -4.98 118.95 125.85 2giw s ARG 38 Ca 0.00 0.93 -0.30 0.00 -2.50 0.00 0.00 55.73 53.85 2giw s ARG 38 Cb 0.00 -3.78 -0.07 0.00 0.06 0.00 0.00 34.95 31.16 2giw s ARG 38 CO 0.00 -1.01 1.59 0.15 -2.50 0.00 0.00 175.30 173.52 2giw s LYS 39 N 3.83 4.22 0.00 5.12 3.01 -1.26 -4.05 119.74 130.60 2giw s LYS 39 Ca 0.46 2.21 0.00 0.00 -1.01 0.00 0.00 55.97 57.62 2giw s LYS 39 Cb -0.11 -3.67 0.00 0.00 -1.01 0.00 0.00 37.83 33.04 2giw s LYS 39 CO 0.19 -0.72 0.00 -2.37 0.51 0.00 0.00 175.35 172.97 2giw n THR 40 N 4.86 0.00 -1.13 2.17 5.66 -0.00 -4.73 114.28 121.12 2giw n THR 40 Ca 0.15 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.11 2giw n THR 40 Cb 0.42 -1.39 -0.02 0.00 -1.55 0.00 0.00 70.33 67.79 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 0.71 3.15 1.09 0.00 -1.26 -4.50 105.19 109.39 2giw n GLY 41 Ca 0.00 -0.52 0.05 0.00 0.00 0.00 0.00 46.02 45.55 2giw n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2giw s GLN 42 N -1.94 0.17 0.07 1.61 -0.21 -1.26 -4.75 119.66 113.35 2giw s GLN 42 Ca 0.00 0.20 0.08 0.00 0.02 0.00 0.00 55.36 55.66 2giw s GLN 42 Cb 0.00 0.10 -0.04 0.00 1.00 0.00 0.00 33.01 34.07 2giw s GLN 42 CO 0.00 -0.30 -0.17 0.00 -2.12 0.00 0.00 175.29 172.70 2giw s ALA 43 N 2.95 2.66 -1.06 6.09 0.00 -1.26 -5.04 121.76 126.09 2giw s ALA 43 Ca 0.20 -1.25 -0.19 0.00 0.00 0.00 0.00 51.96 50.72 2giw s ALA 43 Cb -0.04 -0.73 -0.08 0.00 0.00 0.00 0.00 23.12 22.28 2giw s ALA 43 CO -0.20 0.58 2.02 -0.35 0.00 0.00 0.00 175.76 177.81 2giw n PRO 44 N 1.24 2.05 0.00 0.00 -0.04 -1.26 -4.24 135.00 132.75 2giw n PRO 44 Ca -0.16 -2.22 0.00 0.00 -0.04 0.00 0.00 63.50 61.08 2giw n PRO 44 Cb 0.52 -3.13 0.00 0.00 -0.04 0.00 0.00 33.50 30.85 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 4.53 0.93 3.09 0.55 0.00 -1.26 -4.97 105.19 108.06 2giw n GLY 45 Ca 0.50 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2giw n GLY 45 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2giw n PHE 46 N 0.00 3.38 -0.30 1.61 7.35 -1.26 -4.75 117.46 123.50 2giw n PHE 46 Ca 0.00 -2.56 -0.02 0.00 -0.76 0.00 0.00 57.45 54.12 2giw n PHE 46 Cb 0.00 -2.41 0.00 0.00 0.35 0.00 0.00 39.48 37.43 2giw n PHE 46 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 2giw n THR 47 N 5.86 1.92 -2.09 -2.13 5.66 -1.26 -4.78 114.28 117.45 2giw n THR 47 Ca 0.50 -0.53 0.16 0.00 -3.05 0.00 0.00 64.05 61.13 2giw n THR 47 Cb 0.42 -1.40 -0.04 0.00 -1.55 0.00 0.00 70.33 67.76 2giw n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2giw n TYR 48 N 1.22 -3.30 -1.91 1.09 4.11 -1.26 -4.15 117.16 112.95 2giw n TYR 48 Ca 0.03 1.42 -0.37 0.00 -0.00 0.00 0.00 57.90 58.98 2giw n TYR 48 Cb 0.52 -2.57 0.04 0.00 -0.00 0.00 0.00 39.34 37.33 2giw n TYR 48 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 2giw s THR 49 N -1.76 2.38 0.53 -3.48 -4.23 -1.26 -4.73 115.64 103.09 2giw s THR 49 Ca 0.00 0.25 0.29 0.00 -1.18 0.00 0.00 61.69 61.06 2giw s THR 49 Cb 0.00 -3.11 0.45 0.00 1.34 0.00 0.00 72.50 71.18 2giw s THR 49 CO 0.00 -0.04 1.93 -0.78 -0.54 0.00 0.00 174.62 175.19 2giw h ASP 50 N 1.01 0.00 -0.71 3.99 3.58 -1.94 0.14 116.42 122.49 2giw h ASP 50 Ca -0.51 0.00 0.04 0.00 0.42 0.00 0.00 57.03 56.98 2giw h ASP 50 Cb 1.31 -0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.31 2giw h ASP 50 CO 0.55 0.00 0.47 0.00 -2.88 0.00 0.00 179.24 177.38 2giw h ALA 51 N 1.61 1.61 0.17 -0.78 0.00 -1.90 0.34 119.26 120.31 2giw h ALA 51 Ca 0.37 -0.03 -0.36 0.00 0.00 0.00 0.00 54.91 54.89 2giw h ALA 51 Cb 1.47 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2giw h ALA 51 CO -0.00 0.31 -1.83 -0.91 0.00 0.00 0.00 179.25 176.81 2giw h ASN 52 N 0.84 0.55 -0.79 0.00 4.21 -1.18 -3.33 115.58 115.88 2giw h ASN 52 Ca 0.29 -0.95 0.09 0.00 1.21 0.00 0.00 56.30 56.95 2giw h ASN 52 Cb 0.10 -0.18 -0.07 0.00 -1.12 0.00 0.00 38.32 37.04 2giw h ASN 52 CO -0.08 1.82 0.44 0.50 -1.29 0.00 0.00 177.43 178.81 2giw h LYS 53 N 0.09 0.72 0.00 0.81 3.64 -0.60 -0.18 116.57 121.05 2giw h LYS 53 Ca -0.37 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 2giw h LYS 53 Cb 2.08 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.73 2giw h LYS 53 CO 0.15 0.48 0.00 -0.97 -2.27 0.00 0.00 179.45 176.83 2giw h ASN 54 N 0.74 0.00 -0.16 4.20 -1.24 -0.48 -3.29 115.58 115.34 2giw h ASN 54 Ca 0.38 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.35 2giw h ASN 54 Cb 0.36 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.41 2giw h ASN 54 CO -0.25 0.00 -0.08 0.50 -1.29 0.00 0.00 177.43 176.31 2giw h LYS 55 N 0.00 0.33 -6.14 6.67 1.63 -1.13 -3.47 116.57 114.47 2giw h LYS 55 Ca 0.00 -0.15 -0.47 0.00 -0.85 0.00 0.00 60.65 59.18 2giw h LYS 55 Cb 0.33 -0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 31.86 2giw h LYS 55 CO 0.00 0.65 -0.72 0.41 -3.45 0.00 0.00 179.45 176.34 2giw n GLY 56 N -0.00 -0.48 0.18 5.01 0.00 -1.24 -4.97 105.19 103.67 2giw n GLY 56 Ca -0.06 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 -4.43 0.00 -1.88 -0.61 -5.35 -1.26 -4.80 119.36 101.02 2giw n ILE 57 Ca 0.03 -0.07 0.05 0.00 -0.27 0.00 0.00 62.75 62.49 2giw n ILE 57 Cb 0.52 -1.30 0.14 0.00 -1.74 0.00 0.00 39.64 37.26 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 -1.39 1.40 -3.32 7.28 -1.04 -1.26 -0.82 114.28 115.12 2giw n THR 58 Ca 0.01 -2.36 -0.12 0.00 -2.04 0.00 0.00 64.05 59.53 2giw n THR 58 Cb 0.03 0.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 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 -0.65 -2.68 -1.42 5.03 -1.26 -1.96 117.44 113.94 2giw n TRP 59 Ca 0.14 0.19 -0.23 0.00 3.03 0.00 0.00 57.50 60.64 2giw n TRP 59 Cb 0.84 -1.00 0.10 0.00 -1.03 0.00 0.00 31.31 30.21 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 -4.19 1.82 0.00 -0.99 -2.85 -1.26 -1.74 119.74 110.53 2giw s LYS 60 Ca 0.07 -1.21 -0.01 0.00 -1.00 0.00 0.00 55.97 53.82 2giw s LYS 60 Cb -0.04 -2.40 -0.03 0.00 -2.06 0.00 0.00 37.83 33.30 2giw s LYS 60 CO 0.34 -1.31 1.62 -0.85 0.10 0.00 0.00 175.35 175.25 2giw n GLU 61 N -2.70 0.82 0.09 1.78 0.00 -1.26 -1.67 120.64 117.70 2giw n GLU 61 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 57.16 57.21 2giw n GLU 61 Cb 0.61 -1.25 0.00 0.00 0.00 0.00 0.00 31.44 30.80 2giw n GLU 61 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2giw n GLU 62 N 1.79 0.00 -0.14 3.44 1.02 -1.26 -4.73 120.64 120.75 2giw n GLU 62 Ca 0.04 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.09 2giw n GLU 62 Cb 0.40 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.87 2giw n GLU 62 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2giw h THR 63 N 0.00 1.27 -0.50 2.62 1.35 -1.88 -0.72 112.91 115.04 2giw h THR 63 Ca 0.00 -1.29 0.03 0.00 -0.55 0.00 0.00 66.41 64.60 2giw h THR 63 Cb 0.00 1.06 -0.04 0.00 -1.73 0.00 0.00 68.15 67.45 2giw h THR 63 CO 0.00 0.45 0.29 -0.07 -0.25 0.00 0.00 175.52 175.93 2giw h LEU 64 N 0.81 0.45 0.42 3.87 4.07 -1.63 -0.73 115.31 122.56 2giw h LEU 64 Ca 0.12 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 2giw h LEU 64 Cb 0.70 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.35 2giw h LEU 64 CO 0.05 0.32 -0.25 0.24 -1.08 0.00 0.00 178.44 177.72 2giw h MET 65 N 0.57 -0.60 -0.30 1.13 2.86 -1.61 0.26 114.93 117.23 2giw h MET 65 Ca 0.21 0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.91 2giw h MET 65 Cb 0.05 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 2giw h MET 65 CO -0.11 -0.40 0.14 1.49 1.06 0.00 0.00 176.91 179.09 2giw h GLU 66 N -0.63 0.29 0.59 1.72 4.57 -1.09 -0.80 114.58 119.22 2giw h GLU 66 Ca -0.05 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.09 2giw h GLU 66 Cb 0.51 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 2giw h GLU 66 CO 0.05 0.19 -0.34 -0.92 -1.18 0.00 0.00 179.01 176.82 2giw h TYR 67 N 0.29 -0.89 -0.96 0.92 3.20 -1.03 -0.51 116.97 118.00 2giw h TYR 67 Ca 0.13 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.09 2giw h TYR 67 Cb 0.06 0.31 -0.07 0.00 1.54 0.00 0.00 36.73 38.57 2giw h TYR 67 CO -0.11 -0.51 0.61 -0.07 -1.64 0.00 0.00 178.16 176.44 2giw h LEU 68 N -0.86 0.88 -0.42 2.82 -0.00 -0.88 0.22 115.31 117.07 2giw h LEU 68 Ca -0.08 0.03 -0.07 0.00 -0.00 0.00 0.00 57.88 57.76 2giw h LEU 68 Cb 0.68 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.18 2giw h LEU 68 CO 0.10 0.49 -0.01 -0.08 -0.00 0.00 0.00 178.44 178.94 2giw h GLU 69 N 0.96 0.75 -1.36 1.13 4.81 -1.06 -3.37 114.58 116.45 2giw h GLU 69 Ca 0.46 -0.25 -0.42 0.00 -0.13 0.00 0.00 59.36 59.02 2giw h GLU 69 Cb 0.44 -0.07 -0.32 0.00 0.63 0.00 0.00 28.75 29.44 2giw h GLU 69 CO -0.22 0.83 -0.94 -1.71 -0.73 0.00 0.00 179.01 176.25 2giw n ASN 70 N -4.40 -0.42 -0.15 1.04 4.05 -0.21 -4.05 115.26 111.12 2giw n ASN 70 Ca -0.00 -3.11 -0.11 0.00 0.45 0.00 0.00 54.58 51.80 2giw n ASN 70 Cb 0.30 0.19 -0.01 0.00 1.23 0.00 0.00 39.78 41.49 2giw n ASN 70 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2giw h PRO 71 N 3.36 0.88 0.00 1.20 0.13 -0.81 0.62 132.00 137.39 2giw h PRO 71 Ca 0.02 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2giw h PRO 71 Cb 0.98 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2giw h PRO 71 CO 0.39 1.00 0.00 1.17 -0.23 0.00 0.00 178.00 180.34 2giw n LYS 72 N -4.23 0.11 -0.11 0.86 4.81 -1.26 -0.98 118.16 117.35 2giw n LYS 72 Ca -0.01 0.22 -0.23 0.00 -0.87 0.00 0.00 58.31 57.42 2giw n LYS 72 Cb 0.41 -1.50 -0.08 0.00 0.02 0.00 0.00 35.03 33.88 2giw n LYS 72 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2giw n LYS 73 N -1.33 0.48 -0.21 1.64 4.81 0.04 -4.33 118.16 119.26 2giw n LYS 73 Ca 0.04 0.20 0.17 0.00 -0.87 0.00 0.00 58.31 57.85 2giw n LYS 73 Cb 0.08 -1.30 0.50 0.00 0.02 0.00 0.00 35.03 34.34 2giw n LYS 73 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 2giw h TYR 74 N -0.75 0.52 -3.34 5.64 3.20 -0.87 -3.39 116.97 117.98 2giw h TYR 74 Ca -0.56 0.02 -0.54 0.00 3.14 0.00 0.00 58.73 60.79 2giw h TYR 74 Cb 1.51 -0.16 -0.34 0.00 1.54 0.00 0.00 36.73 39.28 2giw h TYR 74 CO -0.07 0.17 -0.82 0.42 -1.64 0.00 0.00 178.16 176.23 2giw s ILE 75 N -5.43 1.22 -1.13 1.81 1.01 -0.16 -5.04 121.20 113.49 2giw s ILE 75 Ca -0.08 -0.50 -0.20 0.00 0.00 0.00 0.00 60.65 59.87 2giw s ILE 75 Cb 0.22 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.50 2giw s ILE 75 CO 0.78 0.38 1.94 -0.81 0.00 0.00 0.00 174.94 177.23 2giw n PRO 76 N 4.08 2.12 -0.78 2.79 -0.04 -1.26 -3.99 135.00 137.92 2giw n PRO 76 Ca -0.20 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 60.79 2giw n PRO 76 Cb 0.51 -3.35 0.00 0.00 -0.04 0.00 0.00 33.50 30.62 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 5.02 0.52 3.74 0.55 0.00 -1.26 -4.89 105.19 108.87 2giw n GLY 77 Ca 0.48 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.52 2.96 0.44 2.61 -1.32 -1.26 -4.68 115.64 111.86 2giw s THR 78 Ca 0.00 0.31 0.16 0.00 -1.21 0.00 0.00 61.69 60.95 2giw s THR 78 Cb 0.00 -2.69 0.19 0.00 -1.51 0.00 0.00 72.50 68.49 2giw s THR 78 CO 0.00 -0.41 1.99 0.50 -2.21 0.00 0.00 174.62 174.49 2giw h LYS 79 N -1.37 0.00 -6.85 7.08 3.64 -1.98 -3.46 116.57 113.63 2giw h LYS 79 Ca -0.45 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.40 2giw h LYS 79 Cb 1.25 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 33.16 2giw h LYS 79 CO 0.50 0.19 0.86 1.41 -2.27 0.00 0.00 179.45 180.14 2giw s MET 80 N -4.53 4.11 -0.70 1.90 1.75 -1.26 -4.96 119.30 115.61 2giw s MET 80 Ca -0.04 2.59 0.00 0.00 -1.25 0.00 0.00 55.69 56.99 2giw s MET 80 Cb 0.15 -3.00 0.17 0.00 2.84 0.00 0.00 34.83 34.99 2giw s MET 80 CO 0.68 -0.61 0.52 0.42 -0.65 0.00 0.00 175.02 175.38 2giw s ILE 81 N -0.35 3.52 -0.47 10.11 -1.09 -1.26 -4.89 121.20 126.77 2giw s ILE 81 Ca 0.60 -3.59 0.06 0.00 -2.23 0.00 0.00 60.65 55.49 2giw s ILE 81 Cb -0.48 -3.28 0.24 0.00 -1.58 0.00 0.00 42.46 37.37 2giw s ILE 81 CO 0.53 -0.95 0.82 0.33 -1.23 0.00 0.00 174.94 174.44 2giw n PHE 82 N 2.74 -2.81 -1.43 3.97 7.35 -1.26 -5.06 117.46 120.95 2giw n PHE 82 Ca 0.14 -2.08 -0.42 0.00 -0.76 0.00 0.00 57.45 54.33 2giw n PHE 82 Cb 0.36 1.22 -0.04 0.00 0.35 0.00 0.00 39.48 41.37 2giw n PHE 82 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2giw n ALA 83 N 1.61 3.98 0.00 3.13 0.00 -1.26 -4.45 120.51 123.53 2giw n ALA 83 Ca 0.11 -3.50 0.00 0.00 0.00 0.00 0.00 53.44 50.05 2giw n ALA 83 Cb 0.61 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 16.46 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 4.48 1.91 0.65 0.00 0.00 -1.26 -5.04 105.19 105.93 2giw n GLY 84 Ca 0.50 -2.00 -0.02 0.00 0.00 0.00 0.00 46.02 44.51 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 1.26 0.68 0.00 -0.61 3.06 -1.26 -4.97 119.36 117.52 2giw n ILE 85 Ca 0.00 0.25 0.00 0.00 -2.50 0.00 0.00 62.75 60.50 2giw n ILE 85 Cb 0.00 -1.54 0.00 0.00 0.54 0.00 0.00 39.64 38.64 2giw n ILE 85 CO 0.00 0.00 0.00 2.29 -2.50 0.00 0.00 176.55 176.34 2giw n LYS 86 N -3.20 0.00 0.09 9.51 2.85 -1.26 -4.97 118.16 121.17 2giw n LYS 86 Ca -0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 2giw n LYS 86 Cb 0.10 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.48 2giw n LYS 86 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2giw n LYS 87 N -2.28 0.00 0.01 -1.58 4.81 -1.26 -5.05 118.16 112.81 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 1.17 1.17 0.00 0.00 177.40 179.74 2giw n LYS 88 N -3.00 0.00 -0.28 1.64 4.81 -1.26 -4.96 118.16 115.11 2giw n LYS 88 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 2giw n LYS 88 Cb 0.00 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.06 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 0.09 -0.72 3.15 2.02 -1.98 0.25 112.91 115.73 2giw h THR 89 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2giw h THR 89 Cb 0.00 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.46 2giw h THR 89 CO 0.00 0.00 0.39 -0.33 0.37 0.00 0.00 175.52 175.95 2giw h GLU 90 N -0.10 1.00 0.00 6.66 5.08 -1.95 -0.53 114.58 124.74 2giw h GLU 90 Ca 0.27 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2giw h GLU 90 Cb 0.57 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2giw h GLU 90 CO -0.81 0.75 0.00 -2.13 -1.00 0.00 0.00 179.01 175.82 2giw n ARG 91 N -4.48 0.01 0.00 2.33 0.00 0.81 -0.95 116.66 114.39 2giw n ARG 91 Ca 0.06 0.25 0.01 0.00 -0.00 0.00 0.00 57.85 58.17 2giw n ARG 91 Cb 0.10 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.05 2giw n ARG 91 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2giw n GLU 92 N -1.25 4.71 -0.07 -0.14 4.07 -0.26 -4.50 120.64 123.19 2giw n GLU 92 Ca 0.00 -0.15 -0.15 0.00 -0.06 0.00 0.00 57.16 56.80 2giw n GLU 92 Cb 0.00 -0.69 -0.05 0.00 -0.06 0.00 0.00 31.44 30.64 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 -0.76 1.14 -0.10 4.31 5.75 -0.42 0.40 116.55 126.86 2giw n ASP 93 Ca 0.00 0.16 -0.05 0.00 -0.01 0.00 0.00 54.79 54.89 2giw n ASP 93 Cb 0.03 -0.42 0.01 0.00 -1.03 0.00 0.00 41.12 39.71 2giw n ASP 93 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2giw h LEU 94 N -0.49 -0.37 -0.58 -2.12 -0.00 -1.31 0.12 115.31 110.56 2giw h LEU 94 Ca -0.37 0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.62 2giw h LEU 94 Cb 1.33 0.24 0.00 0.00 -0.00 0.00 0.00 40.66 42.23 2giw h LEU 94 CO -0.22 -0.13 0.00 -0.38 -0.00 0.00 0.00 178.44 177.71 2giw n ILE 95 N -5.30 0.15 -0.09 1.22 5.41 -1.26 -1.65 119.36 117.84 2giw n ILE 95 Ca 0.01 -0.19 -0.12 0.00 1.00 0.00 0.00 62.75 63.45 2giw n ILE 95 Cb 0.21 0.06 -0.05 0.00 -0.71 0.00 0.00 39.64 39.15 2giw n ILE 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2giw n ALA 96 N -0.16 0.65 -0.12 -1.39 0.00 -0.11 -4.12 120.51 115.26 2giw n ALA 96 Ca 0.12 -0.54 -0.07 0.00 0.00 0.00 0.00 53.44 52.96 2giw n ALA 96 Cb 0.18 -0.13 -0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 -1.00 -0.75 0.00 0.00 3.20 -0.99 -0.94 116.97 116.48 2giw h TYR 97 Ca -0.15 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.78 2giw h TYR 97 Cb 0.87 0.39 0.00 0.00 1.54 0.00 0.00 36.73 39.53 2giw h TYR 97 CO -0.15 -0.35 0.00 -0.07 -1.64 0.00 0.00 178.16 175.95 2giw h LEU 98 N -0.21 0.00 0.00 2.82 3.38 -1.53 0.12 115.31 119.89 2giw h LEU 98 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2giw h LEU 98 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2giw h LEU 98 CO -0.53 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.17 2giw n LYS 99 N -2.94 0.09 -0.01 1.13 4.81 -0.36 -2.18 118.16 118.69 2giw n LYS 99 Ca -0.02 0.16 0.01 0.00 -0.87 0.00 0.00 58.31 57.59 2giw n LYS 99 Cb 0.12 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 33.64 2giw n LYS 99 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2giw n LYS 100 N -1.43 1.20 -0.29 1.64 -0.00 0.21 -4.62 118.16 114.87 2giw n LYS 100 Ca 0.06 -0.03 0.09 0.00 -0.00 0.00 0.00 58.31 58.43 2giw n LYS 100 Cb 0.19 -1.10 0.31 0.00 -0.00 0.00 0.00 35.03 34.44 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 0.31 1.68 -0.30 0.58 0.00 -0.67 0.13 119.26 120.99 2giw h ALA 101 Ca -0.03 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.97 2giw h ALA 101 Cb 0.53 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2giw h ALA 101 CO 0.00 0.11 0.33 0.00 0.00 0.00 0.00 179.25 179.69 2giw h THR 102 N 0.84 0.43 0.00 0.00 1.03 -1.65 -3.29 112.91 110.27 2giw h THR 102 Ca 0.44 0.00 -0.12 0.00 -0.01 0.00 0.00 66.41 66.72 2giw h THR 102 Cb 0.52 0.74 -0.02 0.00 -1.07 0.00 0.00 68.15 68.31 2giw h THR 102 CO -0.20 0.00 -1.45 -3.20 -0.01 0.00 0.00 175.52 170.66 2giw n ASN 103 N -3.77 3.39 0.00 0.00 5.15 0.27 -4.68 115.26 115.62 2giw n ASN 103 Ca 0.05 -0.00 0.07 0.00 -0.60 0.00 0.00 54.58 54.09 2giw n ASN 103 Cb 0.48 0.66 0.40 0.00 -0.53 0.00 0.00 39.78 40.79 2giw n ASN 103 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82