#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwu h GLU 29 N 0.00 0.00 -0.50 2.61 4.11 -2.06 -2.11 114.58 116.64 3hwu h GLU 29 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3hwu h GLU 29 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3hwu h GLU 29 CO 0.00 0.12 0.00 1.28 0.07 0.00 0.00 179.01 180.48 3hwu n LEU 30 N -3.52 3.49 -4.67 3.06 4.77 -1.26 -4.99 117.00 113.89 3hwu n LEU 30 Ca -0.01 -2.10 -0.48 0.00 -0.03 0.00 0.00 56.01 53.39 3hwu n LEU 30 Cb 0.27 -0.37 -0.05 0.00 -2.33 0.00 0.00 43.42 40.94 3hwu n LEU 30 CO 0.30 0.82 1.29 1.17 -1.33 0.00 0.00 177.39 179.64 3hwu n LYS 31 N 0.88 2.05 -0.98 3.23 3.00 -0.79 -1.29 118.16 124.25 3hwu n LYS 31 Ca 0.18 0.74 0.00 0.00 -0.00 0.00 0.00 58.31 59.23 3hwu n LYS 31 Cb 0.56 -2.53 0.00 0.00 0.00 0.00 0.00 35.03 33.06 3hwu n LYS 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hwu n GLY 32 N 3.75 0.44 0.32 3.14 0.00 -1.26 -4.90 105.19 106.69 3hwu n GLY 32 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.30 3hwu n GLY 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hwu n LYS 33 N -2.03 1.62 0.00 1.61 4.76 -0.41 -4.89 118.16 118.81 3hwu n LYS 33 Ca 0.00 -0.70 0.00 0.00 -2.87 0.00 0.00 58.31 54.74 3hwu n LYS 33 Cb 0.10 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 3hwu n LYS 33 CO 0.00 0.00 0.00 2.48 -1.37 0.00 0.00 177.40 178.51 3hwu n TYR 34 N -0.32 0.00 -4.54 2.13 4.11 -1.26 -0.77 117.16 116.50 3hwu n TYR 34 Ca 0.06 0.00 -0.34 0.00 -0.00 0.00 0.00 57.90 57.63 3hwu n TYR 34 Cb 0.34 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.56 3hwu n TYR 34 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 3hwu s LYS 36 N 1.04 3.26 0.38 -3.48 2.20 -1.26 -4.99 119.74 116.90 3hwu s LYS 36 Ca 0.00 -0.55 0.08 0.00 -0.36 0.00 0.00 55.97 55.14 3hwu s LYS 36 Cb 0.00 -2.75 -0.07 0.00 -1.51 0.00 0.00 37.83 33.51 3hwu s LYS 36 CO 0.00 0.41 0.03 0.95 -0.36 0.00 0.00 175.35 176.38 3hwu s THR 37 N -0.12 2.25 0.40 3.43 -4.23 -0.26 -4.88 115.64 112.24 3hwu s THR 37 Ca 0.01 -1.97 0.11 0.00 -1.18 0.00 0.00 61.69 58.67 3hwu s THR 37 Cb -0.13 -2.89 0.32 0.00 1.34 0.00 0.00 72.50 71.14 3hwu s THR 37 CO 0.03 -0.08 1.96 -0.65 -0.54 0.00 0.00 174.62 175.33 3hwu h PRO 38 N 1.75 0.53 -0.02 3.99 0.11 -1.99 -2.56 132.00 133.80 3hwu h PRO 38 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hwu h PRO 38 Cb 1.25 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3hwu h PRO 38 CO 0.74 0.35 -0.27 0.25 -0.21 0.00 0.00 178.00 178.85 3hwu n THR 39 N -4.48 0.00 0.00 -1.15 -2.24 -1.26 -5.05 114.28 100.09 3hwu n THR 39 Ca 0.11 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3hwu n THR 39 Cb 0.35 1.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 3hwu n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hwu n GLY 40 N 1.31 -0.63 3.12 3.38 0.00 -0.97 -1.43 105.19 109.97 3hwu n GLY 40 Ca 0.10 0.32 -0.08 0.00 0.00 0.00 0.00 46.02 46.37 3hwu n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hwu s TYR 41 N 0.00 0.35 0.52 1.61 2.02 -0.40 -1.10 117.35 120.36 3hwu s TYR 41 Ca 0.00 -0.82 0.01 0.00 -0.37 0.00 0.00 57.07 55.89 3hwu s TYR 41 Cb 0.00 -0.25 -0.01 0.00 -0.40 0.00 0.00 41.96 41.31 3hwu s TYR 41 CO 0.00 -0.42 0.01 -1.17 -1.57 0.00 0.00 175.55 172.40 3hwu s LEU 42 N -2.71 2.22 -0.30 -1.29 2.96 -1.26 -0.80 118.68 117.49 3hwu s LEU 42 Ca 0.04 -1.69 -0.13 0.00 -0.22 0.00 0.00 54.13 52.13 3hwu s LEU 42 Cb 0.05 -0.69 0.18 0.00 0.50 0.00 0.00 46.19 46.23 3hwu s LEU 42 CO -0.09 -0.90 1.09 -0.69 -1.32 0.00 0.00 176.35 174.43 3hwu s VAL 44 N -2.91 -0.22 0.35 1.68 1.01 0.05 -4.30 120.40 116.06 3hwu s VAL 44 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.95 3hwu s VAL 44 Cb 0.01 -0.49 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 3hwu s VAL 44 CO 0.02 0.00 0.64 -0.76 0.00 0.00 0.00 175.10 175.00 3hwu s LEU 45 N 2.97 3.94 0.42 3.92 1.43 0.22 -4.64 118.68 126.93 3hwu s LEU 45 Ca 0.17 0.85 0.03 0.00 -1.03 0.00 0.00 54.13 54.15 3hwu s LEU 45 Cb -0.04 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 3hwu s LEU 45 CO -0.18 -0.31 0.06 -0.13 0.23 0.00 0.00 176.35 176.03 3hwu s ARG 46 N -3.82 1.94 0.15 1.70 1.81 -1.26 -1.36 118.95 118.10 3hwu s ARG 46 Ca 0.46 -2.17 -0.34 0.00 -1.72 0.00 0.00 55.73 51.97 3hwu s ARG 46 Cb -0.10 -1.04 -0.13 0.00 -0.45 0.00 0.00 34.95 33.22 3hwu s ARG 46 CO 0.32 -0.33 1.62 -2.39 -0.68 0.00 0.00 175.30 173.85 3hwu n HIS 47 N -0.96 2.34 0.00 -0.53 1.44 -1.23 -1.16 115.22 115.12 3hwu n HIS 47 Ca -0.09 0.21 0.00 0.00 -2.01 0.00 0.00 57.72 55.84 3hwu n HIS 47 Cb 0.66 -2.57 0.00 0.00 0.12 0.00 0.00 29.99 28.20 3hwu n HIS 47 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3hwu n GLY 48 N 3.57 1.29 3.71 -1.39 0.00 0.05 -5.00 105.19 107.40 3hwu n GLY 48 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3hwu n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hwu s ASP 49 N -2.80 6.87 -0.07 1.61 1.01 -0.31 -4.66 116.67 118.33 3hwu s ASP 49 Ca 0.00 2.21 -0.30 0.00 0.71 0.00 0.00 52.55 55.17 3hwu s ASP 49 Cb 0.00 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 3hwu s ASP 49 CO 0.00 -0.65 1.10 0.20 0.21 0.00 0.00 175.17 176.03 3hwu s ASN 50 N 1.38 7.16 -0.07 0.27 0.01 -1.26 -1.02 114.94 121.41 3hwu s ASN 50 Ca 0.64 1.69 -0.25 0.00 -0.71 0.00 0.00 52.86 54.22 3hwu s ASN 50 Cb -0.34 -2.56 -0.20 0.00 0.41 0.00 0.00 41.25 38.56 3hwu s ASN 50 CO 0.29 -0.49 0.99 0.58 -1.51 0.00 0.00 177.10 176.96 3hwu h VAL 51 N 5.01 1.33 -0.35 1.60 2.07 -1.38 -2.30 116.25 122.23 3hwu h VAL 51 Ca -0.34 -1.49 -0.11 0.00 0.82 0.00 0.00 66.70 65.59 3hwu h VAL 51 Cb 1.16 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 33.20 3hwu h VAL 51 CO 0.86 0.36 -0.22 -0.07 0.02 0.00 0.00 177.57 178.51 3hwu h LEU 52 N -0.75 0.70 -0.96 2.57 3.38 -1.93 -1.63 115.31 116.69 3hwu h LEU 52 Ca -0.01 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 3hwu h LEU 52 Cb 0.64 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3hwu h LEU 52 CO 0.01 0.91 0.22 1.56 0.09 0.00 0.00 178.44 181.23 3hwu h GLN 53 N 0.61 0.98 -0.25 1.13 4.20 -1.92 -0.40 115.11 119.45 3hwu h GLN 53 Ca 0.09 -0.18 -0.10 0.00 0.06 0.00 0.00 58.65 58.51 3hwu h GLN 53 Cb 0.71 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3hwu h GLN 53 CO 0.05 0.83 -0.27 -0.91 -0.67 0.00 0.00 178.83 177.86 3hwu h ASN 54 N 0.95 0.49 -0.62 1.46 2.35 -1.01 -0.22 115.58 118.97 3hwu h ASN 54 Ca 0.21 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 3hwu h ASN 54 Cb 0.25 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 3hwu h ASN 54 CO -0.01 0.75 0.02 -0.07 -1.65 0.00 0.00 177.43 176.47 3hwu h LEU 55 N 0.43 1.06 -0.50 1.61 3.38 -0.90 -0.51 115.31 119.87 3hwu h LEU 55 Ca 0.06 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.78 3hwu h LEU 55 Cb 0.70 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 3hwu h LEU 55 CO 0.05 1.10 0.26 -0.33 0.09 0.00 0.00 178.44 179.61 3hwu h GLU 56 N 1.00 0.49 -0.61 1.13 5.08 -0.77 -1.08 114.58 119.81 3hwu h GLU 56 Ca 0.18 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 3hwu h GLU 56 Cb 0.54 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3hwu h GLU 56 CO 0.03 0.32 0.08 0.37 -1.00 0.00 0.00 179.01 178.81 3hwu h GLN 57 N 0.50 1.01 -0.65 2.33 5.75 -0.76 -1.79 115.11 121.49 3hwu h GLN 57 Ca 0.22 -0.27 0.02 0.00 -0.15 0.00 0.00 58.65 58.47 3hwu h GLN 57 Cb 0.13 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 3hwu h GLN 57 CO -0.15 0.94 0.42 1.25 -2.65 0.00 0.00 178.83 178.64 3hwu h LEU 58 N 0.94 0.71 -0.67 -2.39 5.85 -0.86 0.11 115.31 119.01 3hwu h LEU 58 Ca 0.19 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.94 3hwu h LEU 58 Cb 0.44 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 3hwu h LEU 58 CO 0.01 0.51 0.39 0.00 -0.34 0.00 0.00 178.44 179.02 3hwu h ALA 59 N 1.26 0.88 0.46 1.25 0.00 -0.81 -0.14 119.26 122.16 3hwu h ALA 59 Ca 0.25 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3hwu h ALA 59 Cb -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3hwu h ALA 59 CO -0.07 0.11 -0.22 0.00 0.00 0.00 0.00 179.25 179.07 3hwu h ARG 60 N 0.75 -0.59 -0.49 0.00 3.08 -1.07 -0.20 114.38 115.85 3hwu h ARG 60 Ca 0.28 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 3hwu h ARG 60 Cb 0.10 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3hwu h ARG 60 CO -0.14 -0.30 0.24 -0.44 -1.07 0.00 0.00 179.97 178.26 3hwu h ASP 61 N -0.86 0.61 -0.31 7.04 3.32 -0.59 -1.97 116.42 123.66 3hwu h ASP 61 Ca -0.06 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3hwu h ASP 61 Cb 0.57 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3hwu h ASP 61 CO 0.10 0.51 0.00 -0.62 -1.72 0.00 0.00 179.24 177.52 3hwu n GLU 62 N -4.39 2.20 -3.93 3.56 -0.58 -0.08 -4.98 120.64 112.44 3hwu n GLU 62 Ca 0.04 -2.03 -0.27 0.00 -0.42 0.00 0.00 57.16 54.49 3hwu n GLU 62 Cb 0.12 -1.40 -0.00 0.00 -0.57 0.00 0.00 31.44 29.58 3hwu n GLU 62 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3hwu n HIS 63 N 1.12 -1.82 -1.81 -0.32 8.25 -0.17 -4.83 115.22 115.63 3hwu n HIS 63 Ca 0.15 0.80 -0.42 0.00 -0.26 0.00 0.00 57.72 57.99 3hwu n HIS 63 Cb 0.50 -3.81 -0.03 0.00 1.12 0.00 0.00 29.99 27.77 3hwu n HIS 63 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hwu s ILE 64 N -3.70 3.04 0.05 1.59 1.01 -0.68 -4.90 121.20 117.61 3hwu s ILE 64 Ca 0.21 0.27 -0.21 0.00 0.00 0.00 0.00 60.65 60.92 3hwu s ILE 64 Cb -0.11 -3.18 -0.13 0.00 0.01 0.00 0.00 42.46 39.05 3hwu s ILE 64 CO 0.87 -0.01 1.45 -0.65 0.00 0.00 0.00 174.94 176.59 3hwu h PRO 65 N 9.47 0.26 -2.60 2.79 0.11 -1.83 -3.47 132.00 136.72 3hwu h PRO 65 Ca -0.45 -0.09 0.10 0.00 0.11 0.00 0.00 66.00 65.66 3hwu h PRO 65 Cb 1.21 -0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.20 3hwu h PRO 65 CO 0.94 0.53 0.38 -1.54 -0.21 0.00 0.00 178.00 178.10 3hwu s SER 66 N -5.82 -0.33 0.07 -2.05 1.04 -1.17 -2.53 113.70 102.92 3hwu s SER 66 Ca -0.14 -0.25 -0.26 0.00 0.48 0.00 0.00 55.95 55.78 3hwu s SER 66 Cb 0.05 0.53 0.09 0.00 0.10 0.00 0.00 66.02 66.79 3hwu s SER 66 CO 0.72 -0.93 0.77 0.00 0.98 0.00 0.00 173.24 174.78 3hwu s ALA 67 N -3.47 -1.71 0.17 5.32 0.00 -0.67 -0.87 121.76 120.54 3hwu s ALA 67 Ca 0.08 0.73 0.08 0.00 0.00 0.00 0.00 51.96 52.85 3hwu s ALA 67 Cb -0.02 0.62 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 3hwu s ALA 67 CO -0.03 -0.75 -0.06 0.45 0.00 0.00 0.00 175.76 175.38 3hwu s SER 68 N -2.62 4.48 0.09 0.00 0.15 -0.29 -0.61 113.70 114.90 3hwu s SER 68 Ca 0.04 -0.48 -0.12 0.00 0.70 0.00 0.00 55.95 56.09 3hwu s SER 68 Cb -0.01 -0.85 0.01 0.00 -1.71 0.00 0.00 66.02 63.46 3hwu s SER 68 CO -0.10 0.11 0.27 0.72 1.20 0.00 0.00 173.24 175.44 3hwu s PHE 69 N -1.65 -0.01 0.10 3.44 -0.12 -0.30 -0.40 117.98 119.05 3hwu s PHE 69 Ca 0.25 -0.32 0.02 0.00 -0.05 0.00 0.00 56.93 56.84 3hwu s PHE 69 Cb -0.09 0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.32 3hwu s PHE 69 CO 0.16 -0.58 -0.07 0.14 -0.05 0.00 0.00 175.22 174.82 3hwu s VAL 70 N -3.53 0.77 0.18 -2.49 -7.23 -0.81 -1.09 120.40 106.21 3hwu s VAL 70 Ca 0.02 -1.93 -0.23 0.00 -1.81 0.00 0.00 61.98 58.02 3hwu s VAL 70 Cb 0.03 -1.68 0.07 0.00 0.56 0.00 0.00 36.38 35.35 3hwu s VAL 70 CO -0.09 -0.84 0.97 -0.83 -0.31 0.00 0.00 175.10 174.00 3hwu s GLY 71 N -3.02 -0.08 0.11 2.32 0.00 -1.26 -0.59 107.32 104.80 3hwu s GLY 71 Ca 0.12 -0.09 -0.06 0.00 0.00 0.00 0.00 44.72 44.69 3hwu s GLY 71 CO -0.04 0.73 0.15 -0.26 0.00 0.00 0.00 173.10 173.68 3hwu s ILE 72 N -2.87 0.13 -2.49 0.90 -4.36 -0.64 -4.24 121.20 107.65 3hwu s ILE 72 Ca 0.15 -1.47 0.00 0.00 -0.26 0.00 0.00 60.65 59.07 3hwu s ILE 72 Cb -0.02 -1.62 0.00 0.00 1.25 0.00 0.00 42.46 42.07 3hwu s ILE 72 CO 0.04 -0.60 0.00 0.61 0.24 0.00 0.00 174.94 175.23 3hwu n GLY 73 N -0.07 -0.99 3.51 6.27 0.00 -1.26 -1.03 105.19 111.61 3hwu n GLY 73 Ca -0.11 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 3hwu n GLY 73 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hwu s PHE 74 N -3.00 1.94 -0.01 1.61 5.36 -0.83 -4.60 117.98 118.45 3hwu s PHE 74 Ca 0.00 -1.04 0.01 0.00 -0.96 0.00 0.00 56.93 54.94 3hwu s PHE 74 Cb 0.00 -1.31 -0.01 0.00 -0.34 0.00 0.00 43.02 41.36 3hwu s PHE 74 CO 0.00 -0.03 -0.00 -1.13 -1.46 0.00 0.00 175.22 172.59 3hwu n SER 76 N -0.94 4.39 -3.80 6.13 3.41 -0.09 -0.95 113.62 121.79 3hwu n SER 76 Ca -0.05 -0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.43 3hwu n SER 76 Cb 0.66 0.29 -0.14 0.00 -0.26 0.00 0.00 64.21 64.76 3hwu n SER 76 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3hwu s GLU 77 N -2.02 0.08 -0.04 4.33 2.02 -1.18 -1.52 118.70 120.36 3hwu s GLU 77 Ca -0.01 0.21 -0.00 0.00 0.02 0.00 0.00 54.97 55.19 3hwu s GLU 77 Cb 0.00 -0.07 0.03 0.00 0.10 0.00 0.00 34.13 34.19 3hwu s GLU 77 CO 0.04 -0.09 0.01 0.00 0.02 0.00 0.00 175.26 175.24 3hwu s ALA 78 N 0.57 0.40 -0.16 5.21 0.00 -0.03 -1.12 121.76 126.63 3hwu s ALA 78 Ca -0.04 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.02 3hwu s ALA 78 Cb -0.06 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.60 3hwu s ALA 78 CO -0.02 -0.22 -0.16 0.99 0.00 0.00 0.00 175.76 176.34 3hwu s THR 79 N 1.41 2.59 0.32 0.00 2.01 0.09 -0.60 115.64 121.46 3hwu s THR 79 Ca -0.04 -0.80 0.08 0.00 0.31 0.00 0.00 61.69 61.24 3hwu s THR 79 Cb -0.13 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 3hwu s THR 79 CO -0.03 0.52 0.15 -0.36 -0.69 0.00 0.00 174.62 174.21 3hwu s PHE 80 N 0.85 2.77 0.00 4.92 0.08 -0.09 -0.49 117.98 126.02 3hwu s PHE 80 Ca -0.05 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.68 3hwu s PHE 80 Cb -0.15 -1.59 -0.00 0.00 -0.57 0.00 0.00 43.02 40.70 3hwu s PHE 80 CO -0.01 0.36 -0.02 0.20 -0.10 0.00 0.00 175.22 175.65 3hwu s GLY 81 N -3.85 0.13 -0.23 4.36 0.00 -0.21 -1.08 107.32 106.44 3hwu s GLY 81 Ca 0.37 -0.17 -0.02 0.00 0.00 0.00 0.00 44.72 44.90 3hwu s GLY 81 CO 0.23 -0.17 -0.08 -0.12 0.00 0.00 0.00 173.10 172.96 3hwu s PHE 82 N -0.26 2.99 0.11 1.90 5.36 -0.14 -4.15 117.98 123.79 3hwu s PHE 82 Ca -0.01 -1.43 -0.30 0.00 -0.96 0.00 0.00 56.93 54.23 3hwu s PHE 82 Cb -0.02 -2.04 -0.06 0.00 -0.34 0.00 0.00 43.02 40.56 3hwu s PHE 82 CO -0.00 -0.70 1.05 -0.47 -1.46 0.00 0.00 175.22 173.64 3hwu s TYR 83 N 1.35 3.65 -0.31 10.12 5.04 -1.26 -1.12 117.35 134.83 3hwu s TYR 83 Ca 0.02 1.63 -0.08 0.00 -2.44 0.00 0.00 57.07 56.20 3hwu s TYR 83 Cb -0.15 -3.20 0.01 0.00 0.35 0.00 0.00 41.96 38.96 3hwu s TYR 83 CO -0.06 -0.36 0.12 0.34 -1.34 0.00 0.00 175.55 174.25 3hwu s ASP 84 N 0.31 5.33 0.26 4.32 2.15 0.32 -4.94 116.67 124.41 3hwu s ASP 84 Ca 0.51 -0.70 0.07 0.00 0.43 0.00 0.00 52.55 52.86 3hwu s ASP 84 Cb -0.26 -1.93 0.32 0.00 -0.30 0.00 0.00 42.92 40.75 3hwu s ASP 84 CO 0.31 -0.22 1.60 -0.26 -0.17 0.00 0.00 175.17 176.43 3hwu h PHE 85 N 8.29 0.17 -0.73 -5.34 0.04 -1.95 0.17 116.94 117.60 3hwu h PHE 85 Ca -0.31 -0.07 -0.03 0.00 2.80 0.00 0.00 57.97 60.37 3hwu h PHE 85 Cb 1.13 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 39.21 3hwu h PHE 85 CO 0.62 0.69 0.32 0.78 -0.60 0.00 0.00 178.31 180.12 3hwu h GLY 86 N 1.58 1.13 -1.27 -1.45 0.00 -1.95 -3.01 103.07 98.10 3hwu h GLY 86 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.76 3hwu h GLY 86 CO 0.08 0.54 0.00 -0.96 0.00 0.00 0.00 176.54 176.20 3hwu n ARG 87 N -4.31 1.20 -3.77 4.80 1.85 -1.21 -5.00 116.66 110.22 3hwu n ARG 87 Ca 0.07 -1.45 -0.25 0.00 -1.00 0.00 0.00 57.85 55.22 3hwu n ARG 87 Cb 0.15 -1.30 0.03 0.00 -1.05 0.00 0.00 32.46 30.30 3hwu n ARG 87 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3hwu n LYS 88 N 0.89 -5.37 -4.05 2.89 5.02 0.56 -4.99 118.16 113.11 3hwu n LYS 88 Ca 0.09 0.63 -0.12 0.00 -2.02 0.00 0.00 58.31 56.89 3hwu n LYS 88 Cb 0.39 -5.35 -0.12 0.00 -0.02 0.00 0.00 35.03 29.93 3hwu n LYS 88 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3hwu s GLN 89 N -6.24 0.46 0.07 1.97 -0.21 -1.01 -4.99 119.66 109.71 3hwu s GLN 89 Ca 0.30 -0.66 -0.30 0.00 0.02 0.00 0.00 55.36 54.72 3hwu s GLN 89 Cb -0.15 -0.21 -0.05 0.00 1.00 0.00 0.00 33.01 33.61 3hwu s GLN 89 CO 0.81 0.03 0.98 -0.06 -2.12 0.00 0.00 175.29 174.94 3hwu s PHE 90 N -1.26 3.73 -0.25 0.91 0.08 -1.26 -0.53 117.98 119.41 3hwu s PHE 90 Ca -0.10 1.74 -0.25 0.00 0.12 0.00 0.00 56.93 58.44 3hwu s PHE 90 Cb -0.09 -3.10 -0.00 0.00 -0.57 0.00 0.00 43.02 39.25 3hwu s PHE 90 CO 0.00 0.04 0.85 0.34 -0.10 0.00 0.00 175.22 176.35 3hwu s ASP 91 N 0.44 6.85 0.29 1.36 2.15 -0.27 -4.84 116.67 122.65 3hwu s ASP 91 Ca 0.49 1.05 0.03 0.00 0.43 0.00 0.00 52.55 54.55 3hwu s ASP 91 Cb -0.23 -2.44 -0.03 0.00 -0.30 0.00 0.00 42.92 39.92 3hwu s ASP 91 CO 0.29 -0.54 0.45 -2.16 -0.17 0.00 0.00 175.17 173.04 3hwu s PRO 92 N 2.89 3.44 -0.12 4.34 0.04 -1.26 -0.97 135.00 143.36 3hwu s PRO 92 Ca 0.36 -0.60 -0.08 0.00 0.04 0.00 0.00 61.00 60.72 3hwu s PRO 92 Cb -0.15 -2.79 0.04 0.00 0.04 0.00 0.00 34.50 31.64 3hwu s PRO 92 CO 0.08 0.29 0.31 0.21 0.04 0.00 0.00 177.00 177.92 3hwu s LYS 93 N -4.13 0.30 -0.11 4.56 2.20 -0.24 -4.98 119.74 117.32 3hwu s LYS 93 Ca 0.37 0.57 0.00 0.00 -0.36 0.00 0.00 55.97 56.55 3hwu s LYS 93 Cb -0.09 -0.01 -0.02 0.00 -1.51 0.00 0.00 37.83 36.20 3hwu s LYS 93 CO 0.32 -0.13 -0.12 0.99 -0.36 0.00 0.00 175.35 176.06 3hwu s THR 94 N 0.98 3.20 -0.01 3.43 2.01 -1.26 -0.91 115.64 123.07 3hwu s THR 94 Ca -0.07 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.34 3hwu s THR 94 Cb -0.07 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 3hwu s THR 94 CO -0.07 0.54 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.00 3hwu s TYR 95 N 0.05 2.85 0.01 4.92 1.51 0.23 -4.98 117.35 121.95 3hwu s TYR 95 Ca -0.04 -0.06 0.07 0.00 -1.01 0.00 0.00 57.07 56.03 3hwu s TYR 95 Cb -0.14 -1.62 -0.03 0.00 -0.11 0.00 0.00 41.96 40.06 3hwu s TYR 95 CO 0.04 0.33 -0.19 1.03 -1.11 0.00 0.00 175.55 175.65 3hwu s ARG 96 N -1.23 2.14 -1.03 -0.62 0.52 -1.26 -0.85 118.95 116.62 3hwu s ARG 96 Ca 0.15 -0.93 -0.14 0.00 -0.52 0.00 0.00 55.73 54.29 3hwu s ARG 96 Cb -0.11 -2.19 -0.01 0.00 0.52 0.00 0.00 34.95 33.16 3hwu s ARG 96 CO 0.05 0.56 0.76 0.09 0.02 0.00 0.00 175.30 176.78 3hwu n ASN 97 N 1.85 -5.69 -4.23 0.23 3.02 -0.57 -4.96 115.26 104.90 3hwu n ASN 97 Ca -0.16 -0.86 -0.26 0.00 -0.03 0.00 0.00 54.58 53.27 3hwu n ASN 97 Cb 0.52 -3.46 -0.15 0.00 -0.61 0.00 0.00 39.78 36.08 3hwu n ASN 97 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3hwu s VAL 98 N -3.32 1.62 0.00 2.41 -7.23 -1.26 -4.85 120.40 107.77 3hwu s VAL 98 Ca 0.33 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.44 3hwu s VAL 98 Cb -0.12 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.44 3hwu s VAL 98 CO 0.85 0.29 0.00 -0.62 -0.31 0.00 0.00 175.10 175.30 3hwu n GLU 99 N 2.12 2.73 0.00 4.82 -0.58 -0.09 -4.48 120.64 125.16 3hwu n GLU 99 Ca -0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 3hwu n GLU 99 Cb 0.53 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.40 3hwu n GLU 99 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hwu n ALA 101 N -3.00 0.41 -3.00 0.62 0.00 0.64 -0.71 120.51 115.48 3hwu n ALA 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hwu n ALA 101 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3hwu n ALA 101 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hwu n ASN 102 N -0.53 0.00 0.00 0.00 2.85 -1.17 -4.86 115.26 111.55 3hwu n ASN 102 Ca 0.00 -0.74 0.00 0.00 -0.11 0.00 0.00 54.58 53.73 3hwu n ASN 102 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 3hwu n ASN 102 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 3hwu n THR 104 N 0.00 0.00 -3.67 -0.44 -1.04 -0.55 -1.08 114.28 107.51 3hwu n THR 104 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3hwu n THR 104 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3hwu n THR 104 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hwu n GLY 105 N -0.12 0.92 3.03 3.41 0.00 -0.25 -1.19 105.19 110.99 3hwu n GLY 105 Ca 0.00 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 3hwu n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hwu s SER 106 N -1.64 0.47 -0.19 1.61 1.04 0.23 -1.15 113.70 114.08 3hwu s SER 106 Ca 0.06 -0.65 -0.05 0.00 0.48 0.00 0.00 55.95 55.79 3hwu s SER 106 Cb -0.01 0.11 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 3hwu s SER 106 CO 0.01 -0.36 0.00 -0.63 0.98 0.00 0.00 173.24 173.24 3hwu s ILE 107 N -2.14 4.08 0.00 -1.02 1.01 0.22 -1.60 121.20 121.75 3hwu s ILE 107 Ca -0.08 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.30 3hwu s ILE 107 Cb -0.05 -2.83 0.00 0.00 0.01 0.00 0.00 42.46 39.59 3hwu s ILE 107 CO -0.03 0.44 0.00 0.00 0.00 0.00 0.00 174.94 175.35 3hwu n ALA 108 N 3.99 0.00 -2.66 9.38 0.00 -0.82 -1.66 120.51 128.73 3hwu n ALA 108 Ca -0.17 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.10 3hwu n ALA 108 Cb 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.85 3hwu n ALA 108 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3hwu s TRP 109 N -3.06 1.16 -0.16 0.00 0.52 -0.58 -0.02 118.94 116.80 3hwu s TRP 109 Ca 0.00 -0.50 -0.07 0.00 0.02 0.00 0.00 56.10 55.54 3hwu s TRP 109 Cb 0.00 -0.65 0.07 0.00 -1.15 0.00 0.00 33.47 31.74 3hwu s TRP 109 CO 0.00 0.05 0.37 0.21 0.02 0.00 0.00 176.95 177.59 3hwu s LYS 110 N -1.99 0.31 -1.44 4.98 2.20 0.06 -0.76 119.74 123.10 3hwu s LYS 110 Ca -0.00 0.83 -0.05 0.00 -0.36 0.00 0.00 55.97 56.39 3hwu s LYS 110 Cb -0.08 0.08 0.02 0.00 -1.51 0.00 0.00 37.83 36.34 3hwu s LYS 110 CO 0.02 -0.21 0.40 0.39 -0.36 0.00 0.00 175.35 175.59 3hwu n GLU 111 N 4.81 -3.65 -0.54 4.03 1.02 -1.26 -1.79 120.64 123.26 3hwu n GLU 111 Ca -0.16 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 3hwu n GLU 111 Cb 0.52 -5.51 0.00 0.00 -0.02 0.00 0.00 31.44 26.43 3hwu n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hwu n GLY 112 N -1.25 1.18 3.56 0.62 0.00 -1.26 -5.04 105.19 103.00 3hwu n GLY 112 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 3hwu n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hwu s LYS 113 N -0.28 2.07 0.44 1.61 1.02 -0.74 -5.09 119.74 118.77 3hwu s LYS 113 Ca 0.00 -1.06 -0.25 0.00 0.02 0.00 0.00 55.97 54.67 3hwu s LYS 113 Cb 0.00 -2.27 -0.08 0.00 -0.52 0.00 0.00 37.83 34.96 3hwu s LYS 113 CO 0.00 0.50 1.39 -2.14 -0.92 0.00 0.00 175.35 174.18 3hwu s PRO 114 N -2.25 3.73 -0.35 -1.68 0.02 -1.26 -0.76 135.00 132.45 3hwu s PRO 114 Ca 0.21 2.33 0.01 0.00 0.02 0.00 0.00 61.00 63.57 3hwu s PRO 114 Cb -0.11 -2.66 0.11 0.00 0.02 0.00 0.00 34.50 31.87 3hwu s PRO 114 CO 0.13 -0.75 0.14 0.45 -0.33 0.00 0.00 177.00 176.64 3hwu s SER 115 N -0.60 3.99 -0.05 2.53 0.15 0.97 -4.75 113.70 115.94 3hwu s SER 115 Ca 0.61 -2.00 -0.19 0.00 0.70 0.00 0.00 55.95 55.07 3hwu s SER 115 Cb -0.42 -0.99 -0.05 0.00 -1.71 0.00 0.00 66.02 62.85 3hwu s SER 115 CO 0.54 -0.37 0.54 -0.63 1.20 0.00 0.00 173.24 174.51 3hwu s ILE 116 N 1.16 5.03 -0.25 6.45 -1.09 -1.26 -1.95 121.20 129.28 3hwu s ILE 116 Ca 0.12 1.10 0.02 0.00 -2.23 0.00 0.00 60.65 59.67 3hwu s ILE 116 Cb -0.20 -3.87 0.06 0.00 -1.58 0.00 0.00 42.46 36.87 3hwu s ILE 116 CO -0.15 0.40 -0.10 -2.28 -1.23 0.00 0.00 174.94 171.58 3hwu s HIS 117 N 0.04 3.05 0.01 3.97 5.65 -0.63 -5.00 115.29 122.38 3hwu s HIS 117 Ca 0.29 -2.18 0.02 0.00 0.25 0.00 0.00 55.06 53.43 3hwu s HIS 117 Cb -0.17 -1.84 -0.01 0.00 -1.18 0.00 0.00 32.58 29.38 3hwu s HIS 117 CO 0.14 -0.85 -0.06 0.00 -0.65 0.00 0.00 174.74 173.32 3hwu s ALA 118 N 1.17 0.45 0.26 1.58 0.00 -1.26 -0.60 121.76 123.37 3hwu s ALA 118 Ca -0.08 -0.38 0.12 0.00 0.00 0.00 0.00 51.96 51.62 3hwu s ALA 118 Cb -0.20 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 3hwu s ALA 118 CO -0.05 0.06 -0.19 -1.01 0.00 0.00 0.00 175.76 174.57 3hwu s HIS 119 N -0.50 2.34 0.18 0.00 3.76 -0.33 -0.97 115.29 119.76 3hwu s HIS 119 Ca -0.02 -0.32 -0.12 0.00 -0.15 0.00 0.00 55.06 54.45 3hwu s HIS 119 Cb -0.04 -1.05 0.00 0.00 1.11 0.00 0.00 32.58 32.60 3hwu s HIS 119 CO -0.00 0.66 0.37 0.20 -0.85 0.00 0.00 174.74 175.12 3hwu s GLY 120 N -3.33 0.31 -0.09 -2.22 0.00 -0.26 -1.48 107.32 100.25 3hwu s GLY 120 Ca 0.28 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.32 3hwu s GLY 120 CO 0.14 -0.65 -0.07 -1.59 0.00 0.00 0.00 173.10 170.93 3hwu s THR 121 N -3.94 0.89 0.13 0.90 2.01 -0.24 -1.35 115.64 114.04 3hwu s THR 121 Ca 0.15 -0.25 0.09 0.00 0.31 0.00 0.00 61.69 61.99 3hwu s THR 121 Cb 0.02 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 3hwu s THR 121 CO -0.00 0.33 -0.20 0.68 -0.69 0.00 0.00 174.62 174.73 3hwu s VAL 122 N 1.40 1.82 0.04 3.82 -7.23 0.74 -0.26 120.40 120.73 3hwu s VAL 122 Ca -0.02 -1.71 -0.03 0.00 -1.81 0.00 0.00 61.98 58.41 3hwu s VAL 122 Cb -0.13 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.07 3hwu s VAL 122 CO -0.04 -0.14 0.03 0.42 -0.31 0.00 0.00 175.10 175.05 3hwu s THR 123 N -1.50 0.16 0.00 5.32 -4.23 0.11 -1.05 115.64 114.45 3hwu s THR 123 Ca 0.11 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.33 3hwu s THR 123 Cb -0.08 -0.97 0.00 0.00 1.34 0.00 0.00 72.50 72.79 3hwu s THR 123 CO 0.05 -0.71 0.00 -0.90 -0.54 0.00 0.00 174.62 172.52 3hwu n ASP 124 N 0.72 1.30 0.00 3.99 5.75 -1.26 -0.92 116.55 126.13 3hwu n ASP 124 Ca -0.18 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.68 3hwu n ASP 124 Cb 0.59 0.00 0.40 0.00 -1.03 0.00 0.00 41.12 41.08 3hwu n ASP 124 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hwu n GLY 125 N 4.07 -0.82 0.04 6.12 0.00 -1.26 -0.82 105.19 112.51 3hwu n GLY 125 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.07 3hwu n GLY 125 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hwu n THR 126 N -1.29 0.24 -0.79 2.61 -2.24 -1.26 -4.95 114.28 106.60 3hwu n THR 126 Ca 0.08 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3hwu n THR 126 Cb 0.13 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 3hwu n THR 126 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3hwu n PHE 127 N -1.89 0.00 -2.56 4.78 3.72 -0.00 -4.99 117.46 116.52 3hwu n PHE 127 Ca 0.05 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.04 3hwu n PHE 127 Cb 0.40 -1.08 -0.05 0.00 -0.94 0.00 0.00 39.48 37.82 3hwu n PHE 127 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3hwu s GLN 128 N -0.86 4.70 0.18 -1.08 -0.21 -1.26 -4.77 119.66 116.36 3hwu s GLN 128 Ca 0.00 1.71 -0.14 0.00 0.02 0.00 0.00 55.36 56.95 3hwu s GLN 128 Cb 0.00 -3.22 -0.07 0.00 1.00 0.00 0.00 33.01 30.71 3hwu s GLN 128 CO 0.00 0.29 0.58 0.20 -2.12 0.00 0.00 175.29 174.23 3hwu s GLY 129 N -0.88 2.42 0.16 3.09 0.00 -1.26 -3.98 107.32 106.87 3hwu s GLY 129 Ca 0.44 -0.13 -0.11 0.00 0.00 0.00 0.00 44.72 44.92 3hwu s GLY 129 CO 0.38 0.12 0.32 0.00 0.00 0.00 0.00 173.10 173.92 3hwu s ALA 130 N -1.59 -0.22 0.00 3.20 0.00 -0.21 -4.97 121.76 117.96 3hwu s ALA 130 Ca 0.42 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.66 3hwu s ALA 130 Cb -0.14 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.80 3hwu s ALA 130 CO 0.20 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.70 3hwu n GLY 131 N -0.22 -0.12 0.00 0.00 0.00 -1.26 -0.18 105.19 103.40 3hwu n GLY 131 Ca -0.09 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.05 3hwu n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hwu n GLY 132 N 0.00 0.30 3.67 -0.02 0.00 -0.46 -4.96 105.19 103.72 3hwu n GLY 132 Ca 0.00 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 3hwu n GLY 132 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3hwu s HIS 133 N -1.82 2.72 0.01 1.61 5.65 -1.26 -1.10 115.29 121.10 3hwu s HIS 133 Ca 0.00 0.81 -0.29 0.00 0.25 0.00 0.00 55.06 55.83 3hwu s HIS 133 Cb 0.00 -3.63 -0.04 0.00 -1.18 0.00 0.00 32.58 27.73 3hwu s HIS 133 CO 0.00 -2.33 0.93 -0.51 -0.65 0.00 0.00 174.74 172.18 3hwu s LEU 134 N 3.09 4.39 -0.15 8.88 1.43 -0.14 -1.04 118.68 135.13 3hwu s LEU 134 Ca 0.62 1.62 0.15 0.00 -1.03 0.00 0.00 54.13 55.48 3hwu s LEU 134 Cb -0.28 -3.50 -0.24 0.00 0.03 0.00 0.00 46.19 42.21 3hwu s LEU 134 CO 0.22 -0.20 0.25 0.18 0.23 0.00 0.00 176.35 177.04 3hwu n LEU 135 N 3.64 0.54 -3.65 1.79 4.77 0.35 -4.71 117.00 119.73 3hwu n LEU 135 Ca 0.04 0.13 -0.02 0.00 -0.03 0.00 0.00 56.01 56.13 3hwu n LEU 135 Cb 0.51 0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.83 3hwu n LEU 135 CO 0.51 0.50 1.18 -0.83 -1.33 0.00 0.00 177.39 177.43 3hwu s GLY 136 N -5.43 -0.12 -0.11 -0.72 0.00 -1.09 -5.01 107.32 94.84 3hwu s GLY 136 Ca -0.10 2.18 -0.30 0.00 0.00 0.00 0.00 44.72 46.49 3hwu s GLY 136 CO 0.81 0.77 0.81 0.48 0.00 0.00 0.00 173.10 175.97 3hwu s LEU 137 N -1.75 -0.55 -0.07 0.66 2.34 -1.26 -0.73 118.68 117.32 3hwu s LEU 137 Ca 0.11 0.64 0.02 0.00 0.06 0.00 0.00 54.13 54.96 3hwu s LEU 137 Cb -0.01 2.26 0.01 0.00 -0.56 0.00 0.00 46.19 47.89 3hwu s LEU 137 CO -0.04 -0.47 -0.11 -0.89 -1.06 0.00 0.00 176.35 173.78 3hwu s THR 138 N -1.02 1.06 0.26 5.48 2.01 -0.27 -0.86 115.64 122.29 3hwu s THR 138 Ca -0.06 -0.42 -0.30 0.00 0.31 0.00 0.00 61.69 61.21 3hwu s THR 138 Cb -0.01 -0.98 -0.10 0.00 0.01 0.00 0.00 72.50 71.42 3hwu s THR 138 CO 0.06 0.34 1.44 -0.69 -0.69 0.00 0.00 174.62 175.08 3hwu s VAL 139 N 0.75 2.60 0.00 3.82 1.01 -0.19 -0.91 120.40 127.48 3hwu s VAL 139 Ca -0.13 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.36 3hwu s VAL 139 Cb -0.15 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.90 3hwu s VAL 139 CO 0.03 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.82 3hwu n GLY 140 N 2.03 1.71 3.27 4.51 0.00 -0.12 -0.77 105.19 115.82 3hwu n GLY 140 Ca 0.06 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 3hwu n GLY 140 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hwu n THR 141 N 0.00 3.79 -1.45 2.61 -2.24 -1.26 -4.14 114.28 111.60 3hwu n THR 141 Ca 0.00 -3.75 0.00 0.00 -2.27 0.00 0.00 64.05 58.03 3hwu n THR 141 Cb 0.00 -2.44 0.00 0.00 -2.10 0.00 0.00 70.33 65.79 3hwu n THR 141 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hwu n GLY 142 N 4.87 0.96 3.48 3.38 0.00 -1.26 -5.00 105.19 111.62 3hwu n GLY 142 Ca 0.50 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 46.21 3hwu n GLY 142 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hwu s SER 143 N 2.00 0.96 -0.04 1.61 1.04 -1.26 -3.55 113.70 114.46 3hwu s SER 143 Ca 0.00 -1.50 -0.02 0.00 0.48 0.00 0.00 55.95 54.91 3hwu s SER 143 Cb 0.00 0.66 0.03 0.00 0.10 0.00 0.00 66.02 66.81 3hwu s SER 143 CO 0.00 -1.29 0.06 0.00 0.98 0.00 0.00 173.24 172.99 3hwu s GLU 145 N 2.16 4.16 -0.08 0.00 2.02 -0.19 -0.61 118.70 126.16 3hwu s GLU 145 Ca 0.05 -0.02 0.01 0.00 0.02 0.00 0.00 54.97 55.02 3hwu s GLU 145 Cb -0.12 -3.50 0.02 0.00 0.10 0.00 0.00 34.13 30.63 3hwu s GLU 145 CO -0.03 0.10 -0.08 0.42 0.02 0.00 0.00 175.26 175.68 3hwu s ILE 146 N 0.92 0.94 -0.33 -1.63 1.01 -1.26 -1.61 121.20 119.23 3hwu s ILE 146 Ca 0.14 -0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.38 3hwu s ILE 146 Cb -0.13 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.40 3hwu s ILE 146 CO 0.05 0.34 0.19 -0.89 0.00 0.00 0.00 174.94 174.62 3hwu s THR 147 N 1.27 4.74 -0.18 2.92 2.01 0.25 -4.32 115.64 122.32 3hwu s THR 147 Ca -0.04 -0.50 -0.03 0.00 0.31 0.00 0.00 61.69 61.44 3hwu s THR 147 Cb -0.14 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 68.88 3hwu s THR 147 CO -0.03 -0.03 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.11 3hwu s VAL 148 N 1.62 3.29 -0.30 3.82 1.01 0.02 -1.92 120.40 127.94 3hwu s VAL 148 Ca 0.04 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 3hwu s VAL 148 Cb -0.18 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 3hwu s VAL 148 CO 0.07 0.47 0.14 -0.89 0.00 0.00 0.00 175.10 174.88 3hwu s THR 149 N 1.00 4.50 -0.16 3.92 2.01 0.46 -1.27 115.64 126.11 3hwu s THR 149 Ca -0.00 -0.43 -0.09 0.00 0.31 0.00 0.00 61.69 61.47 3hwu s THR 149 Cb -0.15 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 3hwu s THR 149 CO -0.00 0.09 0.16 -0.69 -0.69 0.00 0.00 174.62 173.49 3hwu s VAL 150 N 1.60 5.42 0.17 3.82 1.01 -0.52 -1.13 120.40 130.77 3hwu s VAL 150 Ca 0.04 0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.35 3hwu s VAL 150 Cb -0.17 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 3hwu s VAL 150 CO 0.06 0.51 0.04 -0.31 0.00 0.00 0.00 175.10 175.39 3hwu s TYR 151 N -0.19 2.95 -0.54 5.22 2.02 -0.04 -4.84 117.35 121.93 3hwu s TYR 151 Ca 0.12 -0.09 0.26 0.00 -0.37 0.00 0.00 57.07 56.98 3hwu s TYR 151 Cb -0.12 -1.42 0.74 0.00 -0.40 0.00 0.00 41.96 40.75 3hwu s TYR 151 CO 0.01 0.52 1.74 -1.00 -1.57 0.00 0.00 175.55 175.25 3hwu h PRO 152 N 2.62 0.00 -5.99 -1.71 0.13 -1.98 -3.29 132.00 121.78 3hwu h PRO 152 Ca -0.47 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.09 3hwu h PRO 152 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 3hwu h PRO 152 CO 0.60 0.00 0.26 -0.65 -0.23 0.00 0.00 178.00 177.98 3hwu s GLN 153 N -3.21 4.36 -0.19 0.86 1.11 -1.26 -4.81 119.66 116.52 3hwu s GLN 153 Ca 0.08 0.97 -0.29 0.00 0.01 0.00 0.00 55.36 56.13 3hwu s GLN 153 Cb 0.09 -3.52 -0.02 0.00 -1.01 0.00 0.00 33.01 28.56 3hwu s GLN 153 CO 0.59 -0.16 1.34 0.50 0.01 0.00 0.00 175.29 177.57 3hwu s ARG 154 N 1.57 4.12 -0.00 2.91 6.06 -1.26 -3.03 118.95 129.32 3hwu s ARG 154 Ca 0.38 1.63 0.07 0.00 -2.50 0.00 0.00 55.73 55.31 3hwu s ARG 154 Cb -0.17 -3.84 -0.03 0.00 0.06 0.00 0.00 34.95 30.98 3hwu s ARG 154 CO 0.15 -0.86 -0.22 -0.51 -2.50 0.00 0.00 175.30 171.37 3hwu s LEU 155 N 3.89 2.34 -0.06 -0.88 1.43 -1.05 -4.99 118.68 119.37 3hwu s LEU 155 Ca 0.58 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 3hwu s LEU 155 Cb -0.22 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 3hwu s LEU 155 CO 0.19 0.30 -0.13 -1.81 0.23 0.00 0.00 176.35 175.13 3hwu s ASP 156 N -0.93 4.13 0.29 2.29 1.01 -1.26 -1.53 116.67 120.67 3hwu s ASP 156 Ca 0.12 -0.17 -0.12 0.00 0.71 0.00 0.00 52.55 53.08 3hwu s ASP 156 Cb -0.10 -0.94 -0.08 0.00 1.01 0.00 0.00 42.92 42.80 3hwu s ASP 156 CO 0.01 0.34 0.65 -0.13 0.21 0.00 0.00 175.17 176.25 3hwu s ARG 157 N -0.68 3.90 0.06 8.23 0.52 0.06 -1.42 118.95 129.62 3hwu s ARG 157 Ca 0.10 0.48 -0.04 0.00 -0.52 0.00 0.00 55.73 55.75 3hwu s ARG 157 Cb -0.11 -2.52 -0.02 0.00 0.52 0.00 0.00 34.95 32.82 3hwu s ARG 157 CO 0.01 0.22 0.07 -0.59 0.02 0.00 0.00 175.30 175.02 3hwu s PHE 158 N -1.93 0.33 -0.23 -0.53 -0.71 -0.32 -4.75 117.98 109.84 3hwu s PHE 158 Ca 0.51 -0.78 -0.29 0.00 -1.04 0.00 0.00 56.93 55.33 3hwu s PHE 158 Cb -0.11 -0.22 0.01 0.00 -1.21 0.00 0.00 43.02 41.49 3hwu s PHE 158 CO 0.20 -0.43 1.08 0.08 -1.34 0.00 0.00 175.22 174.81 3hwu s VAL 159 N -3.56 4.60 -0.28 -2.49 1.01 -1.26 -0.63 120.40 117.78 3hwu s VAL 159 Ca 0.03 1.93 -0.29 0.00 0.00 0.00 0.00 61.98 63.65 3hwu s VAL 159 Cb 0.05 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 32.16 3hwu s VAL 159 CO -0.09 -0.21 1.12 -0.62 0.00 0.00 0.00 175.10 175.30 3hwu s ASP 160 N 1.37 6.93 0.34 3.32 2.15 -0.24 -4.92 116.67 125.62 3hwu s ASP 160 Ca 0.46 1.21 0.26 0.00 0.43 0.00 0.00 52.55 54.91 3hwu s ASP 160 Cb -0.16 -2.54 1.05 0.00 -0.30 0.00 0.00 42.92 40.97 3hwu s ASP 160 CO 0.08 -0.85 1.79 1.55 -0.17 0.00 0.00 175.17 177.57 3hwu h PRO 161 N 8.14 0.00 0.00 4.34 0.13 -1.94 0.19 132.00 142.86 3hwu h PRO 161 Ca -0.22 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.84 3hwu h PRO 161 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3hwu h PRO 161 CO 1.02 0.00 -0.37 0.93 -0.23 0.00 0.00 178.00 179.34 3hwu h GLU 162 N 0.00 0.00 0.00 0.86 3.07 -1.96 -3.35 114.58 113.20 3hwu h GLU 162 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3hwu h GLU 162 Cb 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 3hwu h GLU 162 CO 0.00 0.37 -0.01 0.44 -1.40 0.00 0.00 179.01 178.41 3hwu n ILE 163 N -3.47 0.00 -3.03 3.13 -5.35 -1.08 -5.04 119.36 104.52 3hwu n ILE 163 Ca 0.00 -0.36 -0.18 0.00 -0.27 0.00 0.00 62.75 61.94 3hwu n ILE 163 Cb 0.53 0.99 0.04 0.00 -1.74 0.00 0.00 39.64 39.46 3hwu n ILE 163 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hwu n GLN 164 N -0.74 -4.73 -4.13 6.28 1.13 0.65 -5.01 117.38 110.83 3hwu n GLN 164 Ca 0.00 0.70 -0.14 0.00 -1.94 0.00 0.00 57.00 55.62 3hwu n GLN 164 Cb 0.00 -5.19 -0.11 0.00 0.11 0.00 0.00 30.24 25.04 3hwu n GLN 164 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hwu s ALA 165 N -3.12 0.89 0.21 -1.58 0.00 -1.23 -4.96 121.76 111.97 3hwu s ALA 165 Ca 0.32 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 50.98 3hwu s ALA 165 Cb -0.14 0.03 -0.09 0.00 0.00 0.00 0.00 23.12 22.92 3hwu s ALA 165 CO 0.39 -0.01 1.32 -0.80 0.00 0.00 0.00 175.76 176.66 3hwu s ASN 166 N -2.03 6.88 0.04 0.00 0.02 -1.26 -1.08 114.94 117.52 3hwu s ASN 166 Ca -0.02 2.43 0.04 0.00 -1.02 0.00 0.00 52.86 54.29 3hwu s ASN 166 Cb -0.06 -2.61 -0.02 0.00 0.02 0.00 0.00 41.25 38.57 3hwu s ASN 166 CO 0.00 -0.54 -0.12 -0.69 0.02 0.00 0.00 177.10 175.78 3hwu s VAL 167 N 0.07 0.90 -0.00 1.60 1.01 0.20 -4.91 120.40 119.27 3hwu s VAL 167 Ca 0.57 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 3hwu s VAL 167 Cb -0.37 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 3hwu s VAL 167 CO 0.39 -0.14 1.20 -0.22 0.00 0.00 0.00 175.10 176.32 3hwu s LEU 168 N -1.32 4.32 -0.42 3.92 2.96 -1.26 -1.17 118.68 125.71 3hwu s LEU 168 Ca -0.02 1.91 -0.17 0.00 -0.22 0.00 0.00 54.13 55.63 3hwu s LEU 168 Cb -0.08 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.06 3hwu s LEU 168 CO 0.01 -0.52 0.40 -0.83 -1.32 0.00 0.00 176.35 174.09 3hwu s GLY 169 N 1.30 1.93 1.07 7.98 0.00 -0.51 -4.96 107.32 114.12 3hwu s GLY 169 Ca 0.57 -1.62 -0.14 0.00 0.00 0.00 0.00 44.72 43.52 3hwu s GLY 169 CO 0.26 1.09 1.10 1.08 0.00 0.00 0.00 173.10 176.63 3hwu s LEU 170 N 1.98 1.29 0.00 0.66 1.43 -1.26 -4.28 118.68 118.51 3hwu s LEU 170 Ca 0.09 1.00 0.28 0.00 -1.03 0.00 0.00 54.13 54.48 3hwu s LEU 170 Cb -0.18 -3.04 1.65 0.00 0.03 0.00 0.00 46.19 44.64 3hwu s LEU 170 CO 0.12 -3.46 1.99 -2.65 0.23 0.00 0.00 176.35 172.58