#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 0.04 0.27 1.61 -1.08 -1.26 -4.73 116.67 111.51 2giw s ASP 2 Ca 0.00 -1.15 0.00 0.00 -0.52 0.00 0.00 52.55 50.89 2giw s ASP 2 Cb 0.00 0.47 0.36 0.00 -1.46 0.00 0.00 42.92 42.30 2giw s ASP 2 CO 0.00 -0.98 1.72 1.62 0.52 0.00 0.00 175.17 178.05 2giw h VAL 3 N 2.46 1.26 0.29 1.11 3.04 -1.83 0.22 116.25 122.80 2giw h VAL 3 Ca -0.31 -1.19 -0.01 0.00 -1.01 0.00 0.00 66.70 64.17 2giw h VAL 3 Cb 1.25 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 31.73 2giw h VAL 3 CO 0.45 0.39 -0.14 -0.33 -1.01 0.00 0.00 177.57 176.93 2giw h GLU 4 N 0.54 -0.38 0.02 4.17 4.39 -1.96 0.98 114.58 122.34 2giw h GLU 4 Ca 0.09 0.03 -0.20 0.00 0.34 0.00 0.00 59.36 59.61 2giw h GLU 4 Cb 0.62 0.09 0.02 0.00 -0.10 0.00 0.00 28.75 29.37 2giw h GLU 4 CO 0.04 -0.17 -0.81 0.87 -1.16 0.00 0.00 179.01 177.78 2giw h LYS 5 N -0.52 0.51 -0.19 2.33 1.79 -1.95 -3.25 116.57 115.30 2giw h LYS 5 Ca -0.04 -0.58 0.05 0.00 -2.18 0.00 0.00 60.65 57.91 2giw h LYS 5 Cb 0.38 0.17 -0.06 0.00 -1.58 0.00 0.00 32.23 31.15 2giw h LYS 5 CO 0.07 1.21 -0.18 0.78 -1.08 0.00 0.00 179.45 180.25 2giw h GLY 6 N 0.06 -0.08 1.47 3.86 0.00 -0.42 -0.15 103.07 107.81 2giw h GLY 6 Ca -0.11 0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 2giw h GLY 6 CO 0.16 -0.17 0.16 0.07 0.00 0.00 0.00 176.54 176.76 2giw h LYS 7 N -0.20 0.68 0.37 4.80 2.10 -0.94 0.11 116.57 123.50 2giw h LYS 7 Ca 0.12 -0.11 -0.02 0.00 -2.00 0.00 0.00 60.65 58.64 2giw h LYS 7 Cb 0.37 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2giw h LYS 7 CO -0.30 0.58 -0.18 0.87 -2.00 0.00 0.00 179.45 178.42 2giw h LYS 8 N 0.67 -0.48 -0.40 0.07 1.79 -1.35 0.00 116.57 116.86 2giw h LYS 8 Ca 0.16 0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.57 2giw h LYS 8 Cb 0.18 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 2giw h LYS 8 CO -0.01 -0.18 -0.09 0.82 -1.08 0.00 0.00 179.45 178.91 2giw h ILE 9 N -0.82 1.27 -0.01 1.86 1.08 -0.85 0.36 117.51 120.41 2giw h ILE 9 Ca -0.05 -1.18 0.01 0.00 -0.39 0.00 0.00 64.86 63.25 2giw h ILE 9 Cb 0.53 1.20 -0.01 0.00 -3.07 0.00 0.00 36.82 35.47 2giw h ILE 9 CO 0.08 0.40 -0.13 0.15 -0.69 0.00 0.00 178.15 177.96 2giw h PHE 10 N 0.59 -0.37 -0.95 1.37 3.04 -0.83 -2.81 116.94 116.98 2giw h PHE 10 Ca 0.10 0.01 0.16 0.00 3.98 0.00 0.00 57.97 62.22 2giw h PHE 10 Cb 0.61 0.16 -0.08 0.00 2.56 0.00 0.00 35.95 39.20 2giw h PHE 10 CO 0.05 -0.13 0.60 0.28 -2.02 0.00 0.00 178.31 177.09 2giw h VAL 11 N -0.15 0.80 -0.49 1.41 2.07 -0.62 0.53 116.25 119.80 2giw h VAL 11 Ca 0.00 -0.26 0.13 0.00 0.82 0.00 0.00 66.70 67.40 2giw h VAL 11 Cb 0.17 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 2giw h VAL 11 CO -0.09 0.14 0.35 -0.61 0.02 0.00 0.00 177.57 177.37 2giw h GLN 12 N 0.74 0.05 0.00 1.57 4.15 -0.68 -3.26 115.11 117.68 2giw h GLN 12 Ca 0.50 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.91 2giw h GLN 12 Cb 0.78 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.45 2giw h GLN 12 CO -0.26 0.04 0.00 0.36 -1.93 0.00 0.00 178.83 177.03 2giw n LYS 13 N -4.41 0.50 -0.08 1.69 0.00 0.17 -4.92 118.16 111.11 2giw n LYS 13 Ca 0.09 -0.04 -0.14 0.00 -0.00 0.00 0.00 58.31 58.22 2giw n LYS 13 Cb 0.53 -0.32 -0.06 0.00 -0.00 0.00 0.00 35.03 35.18 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 -0.29 2.35 -0.99 0.00 0.00 -1.61 0.98 119.26 119.70 2giw h ALA 15 Ca -0.37 -0.01 0.34 0.00 0.00 0.00 0.00 54.91 54.87 2giw h ALA 15 Cb 1.44 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 19.09 2giw h ALA 15 CO -0.15 -0.46 0.53 -0.56 0.00 0.00 0.00 179.25 178.61 2giw h GLN 16 N 0.02 0.22 0.00 0.00 3.07 -1.83 -2.17 115.11 114.42 2giw h GLN 16 Ca 0.18 -0.01 -0.18 0.00 0.09 0.00 0.00 58.65 58.73 2giw h GLN 16 Cb 0.72 -0.05 -0.03 0.00 0.08 0.00 0.00 27.48 28.20 2giw h GLN 16 CO -0.00 0.14 -1.99 0.00 0.09 0.00 0.00 178.83 177.07 2giw s HIS 18 N -2.74 2.12 -0.93 0.00 3.76 -0.05 -1.33 115.29 116.14 2giw s HIS 18 Ca -0.07 -2.69 -0.08 0.00 -0.15 0.00 0.00 55.06 52.07 2giw s HIS 18 Cb 0.07 -1.73 -0.13 0.00 1.11 0.00 0.00 32.58 31.91 2giw s HIS 18 CO 0.70 -0.72 3.15 0.25 -0.85 0.00 0.00 174.74 177.27 2giw n THR 19 N 2.69 3.85 -1.01 1.30 -2.24 -1.22 -4.13 114.28 113.52 2giw n THR 19 Ca 0.22 -2.35 -0.22 0.00 -2.27 0.00 0.00 64.05 59.42 2giw n THR 19 Cb 0.41 -2.28 -0.09 0.00 -2.10 0.00 0.00 70.33 66.27 2giw n THR 19 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2giw n VAL 20 N 2.86 3.21 -2.63 2.28 3.14 -1.26 -3.42 118.33 122.50 2giw n VAL 20 Ca 0.62 -1.79 -0.03 0.00 -2.96 0.00 0.00 64.34 60.19 2giw n VAL 20 Cb 0.51 -2.21 0.07 0.00 -1.06 0.00 0.00 33.84 31.15 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 3.17 0.82 0.00 1.45 2.13 -1.26 -4.97 120.64 121.98 2giw n GLU 21 Ca 0.53 -0.96 0.00 0.00 0.66 0.00 0.00 57.16 57.39 2giw n GLU 21 Cb 0.50 0.16 0.00 0.00 0.27 0.00 0.00 31.44 32.37 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 -0.82 0.00 -1.09 5.31 2.85 -1.22 -5.00 118.16 118.18 2giw n LYS 22 Ca -0.12 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.81 2giw n LYS 22 Cb 0.75 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 35.10 2giw n LYS 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2giw n GLY 23 N -0.28 3.49 0.00 2.58 0.00 -1.26 -4.84 105.19 104.87 2giw n GLY 23 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 3.90 1.48 2.89 -0.02 0.00 -1.26 -5.16 105.19 107.01 2giw n GLY 24 Ca 0.55 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 2giw n GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2giw n LYS 25 N 0.00 0.63 0.00 1.61 5.02 -1.26 -5.11 118.16 119.05 2giw n LYS 25 Ca 0.00 -2.33 0.00 0.00 -2.02 0.00 0.00 58.31 53.96 2giw n LYS 25 Cb 0.00 2.30 0.00 0.00 -0.02 0.00 0.00 35.03 37.31 2giw n LYS 25 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2giw n HIS 26 N -0.49 0.00 -3.18 2.13 8.25 -1.26 -4.42 115.22 116.26 2giw n HIS 26 Ca -0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 2giw n HIS 26 Cb 0.50 -0.18 0.02 0.00 1.12 0.00 0.00 29.99 31.45 2giw n HIS 26 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2giw n LYS 27 N -1.07 -1.59 -0.12 -0.41 4.81 -1.26 -3.82 118.16 114.71 2giw n LYS 27 Ca 0.00 1.24 0.00 0.00 -0.87 0.00 0.00 58.31 58.68 2giw n LYS 27 Cb 0.00 -5.55 0.00 0.00 0.02 0.00 0.00 35.03 29.50 2giw n LYS 27 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2giw n THR 28 N -2.33 0.00 -3.76 3.15 -1.04 -1.26 -4.34 114.28 104.70 2giw n THR 28 Ca -0.04 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.84 2giw n THR 28 Cb 0.55 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.95 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 -1.95 -0.23 0.35 3.41 0.00 -0.44 -4.91 107.32 103.55 2giw s GLY 29 Ca 0.00 0.91 -0.29 0.00 0.00 0.00 0.00 44.72 45.35 2giw s GLY 29 CO 0.00 0.83 1.48 -4.14 0.00 0.00 0.00 173.10 171.27 2giw s PRO 30 N 0.29 4.15 -0.28 2.90 0.02 -1.26 -4.38 135.00 136.44 2giw s PRO 30 Ca -0.01 2.52 -0.31 0.00 0.02 0.00 0.00 61.00 63.21 2giw s PRO 30 Cb -0.03 -3.00 -0.08 0.00 0.02 0.00 0.00 34.50 31.41 2giw s PRO 30 CO -0.01 -0.50 2.21 0.27 -0.33 0.00 0.00 177.00 178.64 2giw n ASN 31 N 0.89 2.74 -0.16 2.53 0.23 -1.26 -4.80 115.26 115.43 2giw n ASN 31 Ca 0.02 0.29 0.08 0.00 -0.53 0.00 0.00 54.58 54.45 2giw n ASN 31 Cb 0.39 -1.42 0.40 0.00 -2.08 0.00 0.00 39.78 37.07 2giw n ASN 31 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2giw h LEU 32 N 13.89 0.57 -1.84 -4.53 3.38 -1.91 -3.46 115.31 121.42 2giw h LEU 32 Ca -0.35 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.46 2giw h LEU 32 Cb 1.28 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.92 2giw h LEU 32 CO 0.99 0.36 -0.47 1.57 0.09 0.00 0.00 178.44 180.98 2giw n HIS 33 N -4.48 -0.97 0.00 1.13 -0.00 -1.26 -0.70 115.22 108.93 2giw n HIS 33 Ca 0.11 0.41 0.00 0.00 0.46 0.00 0.00 57.72 58.69 2giw n HIS 33 Cb 0.28 -0.81 0.00 0.00 -0.12 0.00 0.00 29.99 29.34 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 -0.36 2.71 5.03 1.57 0.00 -1.26 -4.99 105.19 107.89 2giw n GLY 34 Ca -0.07 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2giw n GLY 34 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2giw n LEU 35 N 0.00 0.00 -4.72 0.99 0.00 0.12 -4.02 117.00 109.37 2giw n LEU 35 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.59 2giw n LEU 35 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.40 2giw n LEU 35 CO 0.00 0.00 1.23 0.49 0.00 0.00 0.00 177.39 179.11 2giw n PHE 36 N 0.00 2.70 0.00 1.96 3.01 -1.25 -1.41 117.46 122.47 2giw n PHE 36 Ca 0.00 0.24 0.00 0.00 1.01 0.00 0.00 57.45 58.70 2giw n PHE 36 Cb 0.00 -2.59 0.00 0.00 -0.01 0.00 0.00 39.48 36.88 2giw n PHE 36 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2giw n GLY 37 N 2.59 2.89 3.57 1.37 0.00 -0.72 -4.92 105.19 109.97 2giw n GLY 37 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 3.65 -0.67 1.61 3.52 -0.50 -4.87 118.95 121.69 2giw s ARG 38 Ca 0.00 -1.46 -0.23 0.00 -0.13 0.00 0.00 55.73 53.91 2giw s ARG 38 Cb 0.00 -5.42 -0.16 0.00 -1.56 0.00 0.00 34.95 27.82 2giw s ARG 38 CO 0.00 -2.39 1.89 0.36 -0.81 0.00 0.00 175.30 174.35 2giw n LYS 39 N 8.65 0.00 -0.96 5.12 2.85 -1.26 -4.46 118.16 128.10 2giw n LYS 39 Ca 0.41 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 57.37 2giw n LYS 39 Cb 0.48 -1.08 0.15 0.00 -0.65 0.00 0.00 35.03 33.94 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 6.19 2.56 0.00 0.58 2.01 0.41 -4.12 115.64 123.27 2giw s THR 40 Ca 0.96 0.18 0.00 0.00 0.31 0.00 0.00 61.69 63.14 2giw s THR 40 Cb -0.92 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 69.13 2giw s THR 40 CO 0.37 -0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 2giw n GLY 41 N -0.44 0.78 3.49 4.40 0.00 -1.26 -4.02 105.19 108.15 2giw n GLY 41 Ca 0.09 -0.67 0.02 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.89 0.08 0.30 1.61 -0.21 -1.26 -4.93 119.66 111.36 2giw s GLN 42 Ca 0.00 0.15 -0.11 0.00 0.02 0.00 0.00 55.36 55.42 2giw s GLN 42 Cb 0.00 0.05 0.04 0.00 1.00 0.00 0.00 33.01 34.10 2giw s GLN 42 CO 0.00 -0.02 0.59 0.00 -2.12 0.00 0.00 175.29 173.74 2giw n ALA 43 N 3.66 -1.29 -1.02 6.09 0.00 -1.26 -4.95 120.51 121.73 2giw n ALA 43 Ca -0.14 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.33 2giw n ALA 43 Cb 0.56 0.77 0.00 0.00 0.00 0.00 0.00 19.45 20.78 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 -0.41 0.00 -1.58 0.00 -0.04 -1.26 -4.62 135.00 127.10 2giw n PRO 44 Ca -0.06 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.10 2giw n PRO 44 Cb 0.45 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.85 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 5.00 4.45 1.40 0.55 0.00 -1.26 -4.07 105.19 111.26 2giw n GLY 45 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 1.43 -2.70 -4.25 1.61 7.35 -1.26 -5.04 117.46 114.59 2giw n PHE 46 Ca 0.54 0.49 -0.30 0.00 -0.76 0.00 0.00 57.45 57.42 2giw n PHE 46 Cb 0.49 1.48 -0.08 0.00 0.35 0.00 0.00 39.48 41.72 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 -2.67 -1.38 -4.29 -2.13 5.66 -1.26 -4.78 114.28 103.43 2giw n THR 47 Ca 0.00 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.53 2giw n THR 47 Cb 0.00 -1.33 0.00 0.00 -1.55 0.00 0.00 70.33 67.45 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 -4.52 -1.20 -1.32 1.09 4.11 -1.26 -4.28 117.16 109.78 2giw n TYR 48 Ca -0.30 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.28 2giw n TYR 48 Cb 0.68 0.20 0.10 0.00 -0.00 0.00 0.00 39.34 40.32 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 0.00 2.61 0.35 -3.48 -4.23 -1.26 -4.86 115.64 104.77 2giw s THR 49 Ca 0.00 0.26 0.04 0.00 -1.18 0.00 0.00 61.69 60.80 2giw s THR 49 Cb 0.00 -2.69 0.28 0.00 1.34 0.00 0.00 72.50 71.43 2giw s THR 49 CO 0.00 -0.20 1.98 -2.24 -0.54 0.00 0.00 174.62 173.62 2giw h ASP 50 N -0.68 0.72 0.12 3.99 2.03 -1.93 0.16 116.42 120.82 2giw h ASP 50 Ca -0.46 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 2giw h ASP 50 Cb 1.27 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 39.59 2giw h ASP 50 CO 0.49 0.49 -0.12 0.00 -1.03 0.00 0.00 179.24 179.07 2giw h ALA 51 N 1.59 -0.24 -0.33 4.15 0.00 -1.92 0.70 119.26 123.21 2giw h ALA 51 Ca 0.28 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 2giw h ALA 51 Cb 0.08 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2giw h ALA 51 CO -0.08 -0.65 -0.29 -0.97 0.00 0.00 0.00 179.25 177.25 2giw h ASN 52 N -0.27 0.72 0.18 0.00 -1.24 -1.84 -2.56 115.58 110.58 2giw h ASN 52 Ca 0.01 -0.28 -0.05 0.00 0.71 0.00 0.00 56.30 56.68 2giw h ASN 52 Cb 0.26 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 2giw h ASN 52 CO -0.03 0.97 -0.22 0.50 -1.29 0.00 0.00 177.43 177.36 2giw h LYS 53 N 0.60 0.07 0.00 6.67 3.11 -0.39 -1.44 116.57 125.19 2giw h LYS 53 Ca 0.07 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 2giw h LYS 53 Cb 0.80 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.02 2giw h LYS 53 CO 0.07 0.29 0.00 -1.71 -2.81 0.00 0.00 179.45 175.28 2giw n ASN 54 N -4.25 0.00 -0.06 4.20 5.15 0.24 -4.04 115.26 116.50 2giw n ASN 54 Ca -0.02 -0.50 -0.16 0.00 -0.60 0.00 0.00 54.58 53.29 2giw n ASN 54 Cb 0.29 -0.11 -0.13 0.00 -0.53 0.00 0.00 39.78 39.31 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 0.05 -4.45 1.20 1.63 -1.24 -3.49 116.57 110.27 2giw h LYS 55 Ca 0.00 -0.08 -0.26 0.00 -0.85 0.00 0.00 60.65 59.47 2giw h LYS 55 Cb 0.08 0.03 0.11 0.00 -0.60 0.00 0.00 32.23 31.85 2giw h LYS 55 CO 0.00 1.04 -0.50 0.41 -3.45 0.00 0.00 179.45 176.95 2giw n GLY 56 N 1.59 -0.10 0.11 5.01 0.00 -1.26 -5.01 105.19 105.53 2giw n GLY 56 Ca -0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.75 0.00 -1.06 -0.61 -5.35 -1.26 -4.88 119.36 102.46 2giw n ILE 57 Ca -0.09 -0.04 0.04 0.00 -0.27 0.00 0.00 62.75 62.39 2giw n ILE 57 Cb 0.58 -1.36 0.06 0.00 -1.74 0.00 0.00 39.64 37.18 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 -1.41 1.04 -3.23 7.28 -1.04 -1.26 -0.44 114.28 115.21 2giw n THR 58 Ca 0.00 -1.20 -0.10 0.00 -2.04 0.00 0.00 64.05 60.71 2giw n THR 58 Cb 0.02 0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 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 -0.74 -0.55 -2.53 -1.42 5.03 -1.26 -1.76 117.44 114.21 2giw n TRP 59 Ca 0.07 0.17 -0.23 0.00 3.03 0.00 0.00 57.50 60.54 2giw n TRP 59 Cb 0.56 -0.85 0.06 0.00 -1.03 0.00 0.00 31.31 30.05 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 -3.93 2.24 0.00 -0.99 0.00 -1.26 -3.85 119.74 111.95 2giw s LYS 60 Ca 0.05 -0.75 0.00 0.00 0.00 0.00 0.00 55.97 55.27 2giw s LYS 60 Cb -0.03 -2.38 0.00 0.00 0.00 0.00 0.00 37.83 35.42 2giw s LYS 60 CO 0.29 -1.02 0.41 -0.85 0.00 0.00 0.00 175.35 174.18 2giw n GLU 61 N -2.60 0.47 0.06 1.78 0.00 -1.26 -1.22 120.64 117.88 2giw n GLU 61 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.26 2giw n GLU 61 Cb 0.60 -1.26 0.00 0.00 0.00 0.00 0.00 31.44 30.78 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 0.65 0.00 -0.26 3.44 1.02 -1.26 -4.57 120.64 119.65 2giw n GLU 62 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 2giw n GLU 62 Cb 0.21 -0.42 0.08 0.00 -0.02 0.00 0.00 31.44 31.28 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 1.13 -0.55 2.62 1.35 -1.81 -0.96 112.91 114.69 2giw h THR 63 Ca 0.00 -0.32 0.03 0.00 -0.55 0.00 0.00 66.41 65.57 2giw h THR 63 Cb 0.05 0.12 -0.04 0.00 -1.73 0.00 0.00 68.15 66.55 2giw h THR 63 CO 0.00 0.17 0.33 -0.07 -0.25 0.00 0.00 175.52 175.70 2giw h LEU 64 N 0.93 0.53 0.15 3.87 4.07 -1.47 -0.85 115.31 122.54 2giw h LEU 64 Ca 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.24 2giw h LEU 64 Cb -0.02 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.61 2giw h LEU 64 CO -0.09 0.37 -0.07 -0.03 -1.08 0.00 0.00 178.44 177.54 2giw h MET 65 N 0.65 -0.19 -0.21 1.13 4.05 -1.46 -0.24 114.93 118.65 2giw h MET 65 Ca 0.22 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.66 2giw h MET 65 Cb 0.03 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 2giw h MET 65 CO -0.10 -0.09 0.13 1.49 0.23 0.00 0.00 176.91 178.57 2giw h GLU 66 N -0.24 0.26 0.49 0.39 4.81 -1.14 -0.75 114.58 118.41 2giw h GLU 66 Ca -0.02 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2giw h GLU 66 Cb 0.19 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2giw h GLU 66 CO 0.03 0.17 -0.50 -0.92 -0.73 0.00 0.00 179.01 177.07 2giw h TYR 67 N 0.27 -1.38 -0.43 0.92 3.20 -1.03 -0.46 116.97 118.05 2giw h TYR 67 Ca 0.08 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.97 2giw h TYR 67 Cb -0.02 0.54 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 2giw h TYR 67 CO -0.07 -0.67 0.29 -0.07 -1.64 0.00 0.00 178.16 176.00 2giw h LEU 68 N -1.00 0.48 -0.25 2.82 -0.00 -0.93 0.13 115.31 116.57 2giw h LEU 68 Ca -0.06 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.80 2giw h LEU 68 Cb 0.87 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.40 2giw h LEU 68 CO -0.07 0.35 0.13 -0.08 -0.00 0.00 0.00 178.44 178.77 2giw h GLU 69 N 0.57 0.35 -0.91 1.13 4.22 -0.87 -3.43 114.58 115.65 2giw h GLU 69 Ca 0.16 -0.05 -0.35 0.00 0.08 0.00 0.00 59.36 59.21 2giw h GLU 69 Cb -0.05 -0.07 -0.24 0.00 0.50 0.00 0.00 28.75 28.90 2giw h GLU 69 CO -0.04 0.34 -0.72 -1.71 -2.18 0.00 0.00 179.01 174.70 2giw n ASN 70 N -4.84 -1.82 -0.12 1.04 2.85 -0.20 -4.79 115.26 107.38 2giw n ASN 70 Ca -0.03 -3.01 -0.10 0.00 -0.11 0.00 0.00 54.58 51.34 2giw n ASN 70 Cb 0.09 0.87 -0.02 0.00 1.24 0.00 0.00 39.78 41.96 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 4.22 0.57 -0.10 1.20 0.13 -1.02 0.50 132.00 137.50 2giw h PRO 71 Ca -0.03 -0.14 0.03 0.00 -0.87 0.00 0.00 66.00 64.99 2giw h PRO 71 Cb 0.98 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 2giw h PRO 71 CO 0.34 0.62 0.12 1.57 -0.23 0.00 0.00 178.00 180.43 2giw h LYS 72 N 0.42 0.00 0.01 0.86 2.10 -1.85 -1.23 116.57 116.89 2giw h LYS 72 Ca 0.11 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.52 2giw h LYS 72 Cb 0.31 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.61 2giw h LYS 72 CO 0.00 0.00 -1.31 -0.22 -2.00 0.00 0.00 179.45 175.92 2giw h LYS 73 N 0.00 0.03 -0.41 0.07 1.63 -1.36 -3.00 116.57 113.53 2giw h LYS 73 Ca 0.05 -0.05 0.07 0.00 -0.85 0.00 0.00 60.65 59.87 2giw h LYS 73 Cb 0.29 0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 31.85 2giw h LYS 73 CO -0.00 1.03 -0.39 -0.92 -3.45 0.00 0.00 179.45 175.71 2giw h TYR 74 N -0.88 -1.12 -2.97 1.91 3.20 -0.87 -3.36 116.97 112.88 2giw h TYR 74 Ca -0.35 0.07 -0.59 0.00 3.14 0.00 0.00 58.73 61.00 2giw h TYR 74 Cb 1.38 0.55 -0.40 0.00 1.54 0.00 0.00 36.73 39.80 2giw h TYR 74 CO 0.10 -0.42 -0.77 0.42 -1.64 0.00 0.00 178.16 175.85 2giw s ILE 75 N -5.91 0.86 -0.93 1.81 1.01 -0.48 -5.07 121.20 112.50 2giw s ILE 75 Ca -0.15 -1.81 -0.24 0.00 0.00 0.00 0.00 60.65 58.45 2giw s ILE 75 Cb 0.12 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 2giw s ILE 75 CO 0.66 -0.81 1.89 -2.16 0.00 0.00 0.00 174.94 174.52 2giw s PRO 76 N 1.12 2.68 0.00 2.79 0.04 -1.13 -1.98 135.00 138.52 2giw s PRO 76 Ca 0.14 -0.42 0.00 0.00 0.04 0.00 0.00 61.00 60.76 2giw s PRO 76 Cb -0.21 -5.11 0.00 0.00 0.04 0.00 0.00 34.50 29.23 2giw s PRO 76 CO -0.12 -3.25 0.00 0.41 0.04 0.00 0.00 177.00 174.08 2giw n GLY 77 N 6.83 0.37 3.57 0.56 0.00 -1.26 -5.02 105.19 110.23 2giw n GLY 77 Ca 0.39 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.00 2giw n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2giw n THR 78 N 0.00 2.29 1.70 2.61 5.66 -0.84 -4.84 114.28 120.86 2giw n THR 78 Ca 0.00 -0.50 0.15 0.00 -3.05 0.00 0.00 64.05 60.65 2giw n THR 78 Cb 0.00 -0.99 0.70 0.00 -1.55 0.00 0.00 70.33 68.49 2giw n THR 78 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2giw n LYS 79 N 0.27 1.39 -2.25 1.09 5.02 -1.26 -4.91 118.16 117.51 2giw n LYS 79 Ca 0.10 -0.57 -0.38 0.00 -2.02 0.00 0.00 58.31 55.44 2giw n LYS 79 Cb 0.38 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.89 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 -2.00 3.93 -0.45 1.97 1.75 -1.26 -5.01 119.30 118.23 2giw s MET 80 Ca 0.42 1.85 0.03 0.00 -1.25 0.00 0.00 55.69 56.74 2giw s MET 80 Cb 0.21 -2.58 0.12 0.00 2.84 0.00 0.00 34.83 35.42 2giw s MET 80 CO 0.35 -0.43 0.20 0.42 -0.65 0.00 0.00 175.02 174.92 2giw s ILE 81 N -1.44 2.08 0.15 10.11 -1.09 -1.26 -4.87 121.20 124.88 2giw s ILE 81 Ca 0.59 -2.79 -0.19 0.00 -2.23 0.00 0.00 60.65 56.03 2giw s ILE 81 Cb -0.31 -2.47 0.05 0.00 -1.58 0.00 0.00 42.46 38.15 2giw s ILE 81 CO 0.38 -0.78 0.51 0.12 -1.23 0.00 0.00 174.94 173.95 2giw s PHE 82 N 0.24 -0.35 0.00 3.97 5.36 -1.26 -5.07 117.98 120.87 2giw s PHE 82 Ca 0.16 0.07 0.00 0.00 -0.96 0.00 0.00 56.93 56.20 2giw s PHE 82 Cb -0.24 0.42 0.00 0.00 -0.34 0.00 0.00 43.02 42.86 2giw s PHE 82 CO -0.03 -0.81 0.00 0.00 -1.46 0.00 0.00 175.22 172.92 2giw n ALA 83 N -0.31 0.00 -2.89 11.12 0.00 -1.26 -4.58 120.51 122.59 2giw n ALA 83 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.19 2giw n ALA 83 Cb 0.64 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.03 2giw n ALA 83 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2giw s GLY 84 N -1.82 0.68 0.00 0.00 0.00 -1.26 -4.80 107.32 100.13 2giw s GLY 84 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.70 2giw s GLY 84 CO 0.00 -0.81 0.00 4.51 0.00 0.00 0.00 173.10 176.80 2giw n ILE 85 N -0.32 0.00 0.00 0.90 3.06 -1.26 -5.14 119.36 116.60 2giw n ILE 85 Ca -0.02 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.23 2giw n ILE 85 Cb 0.63 -0.02 0.00 0.00 0.54 0.00 0.00 39.64 40.79 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 -2.49 0.00 -3.10 9.51 4.81 -1.26 -5.09 118.16 120.54 2giw n LYS 86 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 2giw n LYS 86 Cb 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 2.17 0.39 0.00 1.64 2.47 -1.26 -5.01 119.74 120.13 2giw s LYS 87 Ca 0.00 0.19 0.00 0.00 -1.56 0.00 0.00 55.97 54.60 2giw s LYS 87 Cb 0.00 0.13 0.00 0.00 -1.46 0.00 0.00 37.83 36.50 2giw s LYS 87 CO 0.00 -0.67 0.00 1.17 0.16 0.00 0.00 175.35 176.01 2giw n LYS 88 N 4.91 0.00 -0.38 4.03 4.81 -1.26 -4.37 118.16 125.90 2giw n LYS 88 Ca 0.08 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.46 2giw n LYS 88 Cb 0.57 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.60 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 0.01 -0.72 3.15 2.02 -2.00 0.14 112.91 115.51 2giw h THR 89 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 2giw h THR 89 Cb 0.00 0.01 -0.10 0.00 -1.74 0.00 0.00 68.15 66.32 2giw h THR 89 CO 0.00 0.00 -0.35 -1.84 0.37 0.00 0.00 175.52 173.70 2giw n GLU 90 N -5.38 -0.24 0.13 6.66 -0.00 -1.26 -0.03 120.64 120.52 2giw n GLU 90 Ca 0.06 1.10 0.10 0.00 -0.00 0.00 0.00 57.16 58.43 2giw n GLU 90 Cb 0.34 -1.63 0.50 0.00 -0.00 0.00 0.00 31.44 30.65 2giw n GLU 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2giw n ARG 91 N -4.99 0.14 -0.06 3.44 0.63 0.46 -0.94 116.66 115.35 2giw n ARG 91 Ca 0.05 0.55 -0.06 0.00 -0.92 0.00 0.00 57.85 57.46 2giw n ARG 91 Cb 0.24 -1.87 -0.09 0.00 0.45 0.00 0.00 32.46 31.19 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 -2.15 1.86 0.35 -0.14 4.07 -0.08 -4.32 120.64 120.22 2giw n GLU 92 Ca -0.00 0.01 -0.14 0.00 -0.06 0.00 0.00 57.16 56.97 2giw n GLU 92 Cb 0.10 -1.30 -0.07 0.00 -0.06 0.00 0.00 31.44 30.11 2giw n GLU 92 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 2giw h ASP 93 N 0.00 -0.78 -0.54 4.31 3.32 0.59 -0.40 116.42 122.92 2giw h ASP 93 Ca -0.32 0.03 0.11 0.00 0.02 0.00 0.00 57.03 56.86 2giw h ASP 93 Cb 1.69 0.20 -0.09 0.00 0.22 0.00 0.00 39.33 41.35 2giw h ASP 93 CO 0.01 -0.41 0.04 -0.07 -1.72 0.00 0.00 179.24 177.09 2giw h LEU 94 N -1.22 -0.15 -0.09 1.55 -0.00 -1.28 0.18 115.31 114.30 2giw h LEU 94 Ca -0.09 0.12 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 2giw h LEU 94 Cb 0.71 0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.56 2giw h LEU 94 CO 0.15 -0.05 0.00 -0.38 -0.00 0.00 0.00 178.44 178.16 2giw n ILE 95 N -5.20 0.02 -0.11 1.22 2.08 -1.21 -1.29 119.36 114.86 2giw n ILE 95 Ca 0.07 -0.03 -0.17 0.00 0.56 0.00 0.00 62.75 63.18 2giw n ILE 95 Cb 0.30 -0.24 -0.06 0.00 -0.75 0.00 0.00 39.64 38.88 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 -0.71 0.98 -0.04 -1.39 0.00 -0.11 -4.24 120.51 114.99 2giw n ALA 96 Ca 0.15 -0.90 -0.15 0.00 0.00 0.00 0.00 53.44 52.53 2giw n ALA 96 Cb 0.09 0.06 -0.10 0.00 0.00 0.00 0.00 19.45 19.49 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 -1.65 0.00 0.00 3.20 -0.97 -1.92 116.97 114.63 2giw h TYR 97 Ca -0.27 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.66 2giw h TYR 97 Cb 1.22 0.75 -0.00 0.00 1.54 0.00 0.00 36.73 40.24 2giw h TYR 97 CO -0.28 -0.53 -0.03 -0.07 -1.64 0.00 0.00 178.16 175.61 2giw h LEU 98 N -0.54 0.00 0.00 2.82 3.38 -1.45 0.14 115.31 119.67 2giw h LEU 98 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2giw h LEU 98 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2giw h LEU 98 CO -0.48 0.03 0.00 1.17 0.09 0.00 0.00 178.44 179.25 2giw n LYS 99 N -3.75 0.73 -0.02 1.13 4.81 -0.73 -1.47 118.16 118.86 2giw n LYS 99 Ca -0.03 0.01 -0.04 0.00 -0.87 0.00 0.00 58.31 57.39 2giw n LYS 99 Cb 0.12 -1.50 -0.02 0.00 0.02 0.00 0.00 35.03 33.65 2giw n LYS 99 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2giw n LYS 100 N -1.07 0.11 -0.34 1.64 5.02 0.28 -4.65 118.16 119.16 2giw n LYS 100 Ca 0.18 0.03 0.14 0.00 -2.02 0.00 0.00 58.31 56.65 2giw n LYS 100 Cb 0.12 -1.03 0.35 0.00 -0.02 0.00 0.00 35.03 34.45 2giw n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2giw h ALA 101 N -0.03 1.76 -1.48 7.82 0.00 -0.86 0.78 119.26 127.25 2giw h ALA 101 Ca -0.11 0.07 0.49 0.00 0.00 0.00 0.00 54.91 55.37 2giw h ALA 101 Cb 1.15 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.74 2giw h ALA 101 CO -0.02 -0.13 0.98 0.00 0.00 0.00 0.00 179.25 180.07 2giw h THR 102 N 0.71 0.01 0.00 0.00 1.03 -1.39 -1.08 112.91 112.18 2giw h THR 102 Ca 0.57 -0.00 -0.09 0.00 -0.01 0.00 0.00 66.41 66.88 2giw h THR 102 Cb 0.96 0.00 -0.19 0.00 -1.07 0.00 0.00 68.15 67.85 2giw h THR 102 CO -0.35 0.00 -0.74 -0.46 -0.01 0.00 0.00 175.52 173.96 2giw n ASN 103 N -4.61 1.32 0.00 0.00 6.94 0.18 -4.38 115.26 114.72 2giw n ASN 103 Ca 0.41 -2.87 0.15 0.00 -0.02 0.00 0.00 54.58 52.24 2giw n ASN 103 Cb 1.64 -0.40 0.87 0.00 -2.36 0.00 0.00 39.78 39.53 2giw n ASN 103 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39