#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0o s ALA 2 N 0.00 3.36 0.00 4.61 0.00 -1.26 -4.75 121.76 123.72 1x0o s ALA 2 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1x0o s ALA 2 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1x0o s ALA 2 CO 0.00 -1.79 0.00 -1.33 0.00 0.00 0.00 175.76 172.64 1x0o n MET 3 N 7.29 0.00 -2.03 0.00 0.00 -1.26 -4.92 117.12 116.19 1x0o n MET 3 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 57.70 57.69 1x0o n MET 3 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.67 1x0o n MET 3 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1x0o n ASP 4 N -2.25 -4.39 -3.70 7.83 8.00 -1.26 -4.99 116.55 115.79 1x0o n ASP 4 Ca 0.00 0.08 -0.10 0.00 0.71 0.00 0.00 54.79 55.48 1x0o n ASP 4 Cb 0.00 -3.44 -0.11 0.00 -0.02 0.00 0.00 41.12 37.55 1x0o n ASP 4 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1x0o s ASN 5 N -2.50 -0.51 -0.11 -2.24 2.20 -1.26 -5.02 114.94 105.50 1x0o s ASN 5 Ca 0.00 0.89 -0.33 0.00 -0.94 0.00 0.00 52.86 52.48 1x0o s ASN 5 Cb 0.00 0.77 0.14 0.00 -2.00 0.00 0.00 41.25 40.15 1x0o s ASN 5 CO 0.00 -0.19 1.33 0.54 -2.94 0.00 0.00 177.10 175.84 1x0o s VAL 6 N 1.40 0.00 -0.94 3.54 0.11 -1.26 -4.92 120.40 118.33 1x0o s VAL 6 Ca -0.10 -0.09 -0.04 0.00 -2.93 0.00 0.00 61.98 58.83 1x0o s VAL 6 Cb -0.08 -1.68 -0.04 0.00 -1.53 0.00 0.00 36.38 33.04 1x0o s VAL 6 CO -0.13 0.00 0.81 0.00 -3.33 0.00 0.00 175.10 172.45 1x0o s GLN 8 N -4.49 1.90 0.71 0.00 -1.52 -1.26 -5.09 119.66 109.90 1x0o s GLN 8 Ca 0.27 -1.99 -0.16 0.00 -1.95 0.00 0.00 55.36 51.53 1x0o s GLN 8 Cb -0.04 -1.70 -0.05 0.00 -0.22 0.00 0.00 33.01 31.00 1x0o s GLN 8 CO 0.63 0.06 0.49 -2.30 -0.25 0.00 0.00 175.29 173.92 1x0o n PRO 9 N -0.89 0.31 -0.65 2.91 -0.02 -1.26 -4.71 135.00 130.69 1x0o n PRO 9 Ca -0.05 0.14 -0.12 0.00 -2.02 0.00 0.00 63.50 61.45 1x0o n PRO 9 Cb 0.65 -1.78 0.07 0.00 -0.02 0.00 0.00 33.50 32.41 1x0o n PRO 9 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1x0o n THR 10 N -2.30 2.22 -4.77 3.45 -2.24 -1.26 -4.33 114.28 105.04 1x0o n THR 10 Ca 0.10 -1.09 -0.26 0.00 -2.27 0.00 0.00 64.05 60.54 1x0o n THR 10 Cb 0.50 -0.93 -0.16 0.00 -2.10 0.00 0.00 70.33 67.64 1x0o n THR 10 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1x0o s GLU 11 N -1.58 1.80 0.05 -0.78 2.12 -1.26 -2.23 118.70 116.82 1x0o s GLU 11 Ca 0.27 -0.56 -0.09 0.00 0.36 0.00 0.00 54.97 54.95 1x0o s GLU 11 Cb 0.22 -1.52 0.00 0.00 0.26 0.00 0.00 34.13 33.09 1x0o s GLU 11 CO 0.03 0.18 0.18 -0.59 -0.54 0.00 0.00 175.26 174.52 1x0o s PHE 12 N 0.22 0.09 -0.11 5.30 -0.12 -1.05 -4.82 117.98 117.49 1x0o s PHE 12 Ca -0.07 -0.35 -0.00 0.00 -0.05 0.00 0.00 56.93 56.45 1x0o s PHE 12 Cb -0.13 -0.05 -0.03 0.00 -0.63 0.00 0.00 43.02 42.18 1x0o s PHE 12 CO 0.03 -0.43 -0.08 0.42 -0.05 0.00 0.00 175.22 175.10 1x0o s ILE 13 N -2.74 3.53 0.00 -4.49 1.01 -1.26 -0.00 121.20 117.26 1x0o s ILE 13 Ca -0.04 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.11 1x0o s ILE 13 Cb -0.00 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 1x0o s ILE 13 CO -0.05 0.55 -0.05 -0.94 0.00 0.00 0.00 174.94 174.45 1x0o s SER 14 N -0.19 0.54 -0.18 3.58 1.04 -0.59 -1.23 113.70 116.67 1x0o s SER 14 Ca 0.02 -0.14 -0.04 0.00 0.48 0.00 0.00 55.95 56.27 1x0o s SER 14 Cb -0.13 -0.04 -0.02 0.00 0.10 0.00 0.00 66.02 65.92 1x0o s SER 14 CO 0.03 0.02 -0.03 -0.13 0.98 0.00 0.00 173.24 174.11 1x0o s ARG 15 N -0.30 3.60 0.00 4.02 0.52 0.14 -0.18 118.95 126.75 1x0o s ARG 15 Ca -0.00 -0.54 -0.09 0.00 -0.52 0.00 0.00 55.73 54.58 1x0o s ARG 15 Cb -0.03 -2.97 0.00 0.00 0.52 0.00 0.00 34.95 32.48 1x0o s ARG 15 CO -0.00 0.10 0.17 -3.38 0.02 0.00 0.00 175.30 172.21 1x0o s HIS 16 N 0.74 0.01 0.82 -0.53 -3.43 0.57 -1.56 115.29 111.91 1x0o s HIS 16 Ca -0.01 -0.09 -0.12 0.00 -0.80 0.00 0.00 55.06 54.04 1x0o s HIS 16 Cb -0.14 -0.02 0.08 0.00 -1.43 0.00 0.00 32.58 31.07 1x0o s HIS 16 CO 0.02 -0.32 1.12 0.54 -2.00 0.00 0.00 174.74 174.10 1x0o s ASN 17 N -1.45 4.32 0.44 7.38 4.22 0.74 0.22 114.94 130.81 1x0o s ASN 17 Ca -0.14 1.11 0.25 0.00 -2.14 0.00 0.00 52.86 51.94 1x0o s ASN 17 Cb -0.07 -1.78 1.35 0.00 1.28 0.00 0.00 41.25 42.03 1x0o s ASN 17 CO 0.02 -2.06 1.73 0.16 -2.04 0.00 0.00 177.10 174.91 1x0o h ILE 18 N -1.15 0.00 0.00 0.54 3.07 -1.91 0.87 117.51 118.93 1x0o h ILE 18 Ca -0.48 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.93 1x0o h ILE 18 Cb 1.29 0.55 0.00 0.00 -0.27 0.00 0.00 36.82 38.39 1x0o h ILE 18 CO 0.62 0.00 -0.27 -0.33 -1.05 0.00 0.00 178.15 177.12 1x0o h GLU 19 N 0.00 0.00 0.00 0.16 5.08 -1.99 -3.45 114.58 114.38 1x0o h GLU 19 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1x0o h GLU 19 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1x0o h GLU 19 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1x0o n GLY 20 N 1.29 1.20 3.66 -3.84 0.00 0.30 -4.84 105.19 102.96 1x0o n GLY 20 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1x0o n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x0o s ILE 21 N -2.00 5.02 0.13 -0.61 -1.09 -1.11 -0.96 121.20 120.59 1x0o s ILE 21 Ca 0.00 1.16 -0.30 0.00 -2.23 0.00 0.00 60.65 59.27 1x0o s ILE 21 Cb 0.00 -3.93 -0.07 0.00 -1.58 0.00 0.00 42.46 36.88 1x0o s ILE 21 CO 0.00 0.11 1.22 -0.36 -1.23 0.00 0.00 174.94 174.68 1x0o s PHE 22 N 1.96 3.41 -0.00 3.97 0.40 -0.65 -0.19 117.98 126.88 1x0o s PHE 22 Ca 0.28 1.32 0.00 0.00 -0.60 0.00 0.00 56.93 57.93 1x0o s PHE 22 Cb -0.16 -3.46 -0.00 0.00 0.51 0.00 0.00 43.02 39.91 1x0o s PHE 22 CO 0.10 -1.39 0.01 0.25 0.70 0.00 0.00 175.22 174.89 1x0o n THR 23 N 3.21 0.00 -3.69 0.64 -2.24 -0.60 -1.92 114.28 109.68 1x0o n THR 23 Ca 0.07 -0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.73 1x0o n THR 23 Cb 0.45 0.46 -0.10 0.00 -2.10 0.00 0.00 70.33 69.05 1x0o n THR 23 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1x0o s PHE 24 N -2.02 -0.66 -0.07 4.78 5.36 -0.82 -5.00 117.98 119.54 1x0o s PHE 24 Ca -0.00 1.45 -0.06 0.00 -0.96 0.00 0.00 56.93 57.37 1x0o s PHE 24 Cb 0.00 0.30 0.02 0.00 -0.34 0.00 0.00 43.02 43.01 1x0o s PHE 24 CO 0.01 -0.35 0.18 0.54 -1.46 0.00 0.00 175.22 174.14 1x0o s VAL 25 N 1.03 -0.01 0.51 3.12 0.11 -1.26 0.24 120.40 124.13 1x0o s VAL 25 Ca -0.06 0.02 -0.21 0.00 -2.93 0.00 0.00 61.98 58.81 1x0o s VAL 25 Cb -0.06 -0.26 -0.07 0.00 -1.53 0.00 0.00 36.38 34.47 1x0o s VAL 25 CO -0.09 0.01 1.13 -0.62 -3.33 0.00 0.00 175.10 172.20 1x0o s ASP 26 N 0.26 5.95 0.61 3.54 2.15 -0.37 -4.71 116.67 124.10 1x0o s ASP 26 Ca -0.01 2.20 0.40 0.00 0.43 0.00 0.00 52.55 55.56 1x0o s ASP 26 Cb -0.03 -2.59 2.06 0.00 -0.30 0.00 0.00 42.92 42.06 1x0o s ASP 26 CO -0.01 -1.06 2.22 0.45 -0.17 0.00 0.00 175.17 176.60 1x0o h HIS 27 N 1.55 0.00 0.00 -5.34 3.86 -1.98 -1.87 115.15 111.37 1x0o h HIS 27 Ca -0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1x0o h HIS 27 Cb 1.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.72 1x0o h HIS 27 CO 0.53 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.86 1x0o n ARG 28 N -3.01 0.13 -0.33 2.45 1.74 -1.26 -2.85 116.66 113.54 1x0o n ARG 28 Ca -0.02 0.21 0.04 0.00 -0.77 0.00 0.00 57.85 57.31 1x0o n ARG 28 Cb 0.13 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.26 1x0o n ARG 28 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x0o h VAL 30 N 0.92 1.24 0.04 0.00 2.07 -1.01 -0.96 116.25 118.55 1x0o h VAL 30 Ca 0.44 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 1x0o h VAL 30 Cb 0.38 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1x0o h VAL 30 CO -0.24 0.34 -0.02 0.00 0.02 0.00 0.00 177.57 177.67 1x0o h ALA 31 N 1.26 -0.06 0.25 1.67 0.00 -1.43 0.37 119.26 121.32 1x0o h ALA 31 Ca 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1x0o h ALA 31 Cb 0.39 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1x0o h ALA 31 CO 0.01 -0.29 -0.15 1.15 0.00 0.00 0.00 179.25 179.97 1x0o h THR 32 N -0.54 0.68 0.00 0.00 2.02 -1.05 -3.41 112.91 110.60 1x0o h THR 32 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1x0o h THR 32 Cb 0.49 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1x0o h THR 32 CO 0.01 0.00 -0.72 1.33 0.37 0.00 0.00 175.52 176.51 1x0o n VAL 33 N -5.27 0.00 0.00 3.16 0.24 -0.40 -5.04 118.33 111.03 1x0o n VAL 33 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1x0o n VAL 33 Cb 0.19 -0.47 0.00 0.00 -1.47 0.00 0.00 33.84 32.09 1x0o n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x0o n GLY 34 N 2.18 2.05 3.74 7.63 0.00 0.12 -0.50 105.19 120.41 1x0o n GLY 34 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1x0o n GLY 34 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x0o s TYR 35 N -1.86 3.85 0.45 1.61 2.02 -1.25 -4.69 117.35 117.50 1x0o s TYR 35 Ca 0.00 1.76 -0.21 0.00 -0.37 0.00 0.00 57.07 58.25 1x0o s TYR 35 Cb 0.00 -2.97 -0.09 0.00 -0.40 0.00 0.00 41.96 38.50 1x0o s TYR 35 CO 0.00 0.31 1.01 -0.65 -1.57 0.00 0.00 175.55 174.65 1x0o s GLN 36 N -0.41 3.99 0.29 -0.62 -1.52 -1.26 -1.23 119.66 118.90 1x0o s GLN 36 Ca 0.43 1.32 0.03 0.00 -1.95 0.00 0.00 55.36 55.19 1x0o s GLN 36 Cb -0.23 -2.21 0.70 0.00 -0.22 0.00 0.00 33.01 31.05 1x0o s GLN 36 CO 0.29 -0.26 1.70 -1.35 -0.25 0.00 0.00 175.29 175.42 1x0o h PRO 37 N 1.85 0.39 -0.83 2.91 0.11 -1.84 0.21 132.00 134.79 1x0o h PRO 37 Ca -0.49 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.68 1x0o h PRO 37 Cb 1.21 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 1x0o h PRO 37 CO 0.60 0.26 0.49 1.96 -0.21 0.00 0.00 178.00 181.10 1x0o h GLN 38 N 0.40 0.82 0.00 1.05 1.08 -1.90 -2.30 115.11 114.25 1x0o h GLN 38 Ca 0.54 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.65 1x0o h GLN 38 Cb 1.01 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.25 1x0o h GLN 38 CO -0.52 0.54 -0.20 0.93 -0.95 0.00 0.00 178.83 178.63 1x0o h GLU 39 N 0.84 0.00 0.00 1.46 5.08 -1.32 -2.32 114.58 118.32 1x0o h GLU 39 Ca 0.39 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.59 1x0o h GLU 39 Cb 0.31 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1x0o h GLU 39 CO -0.22 0.20 -1.10 -0.07 -1.00 0.00 0.00 179.01 176.81 1x0o h LEU 40 N 0.00 0.00 -8.82 1.33 3.38 -1.28 -3.43 115.31 106.49 1x0o h LEU 40 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1x0o h LEU 40 Cb 0.65 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1x0o h LEU 40 CO 0.03 0.60 1.46 -0.76 0.09 0.00 0.00 178.44 179.86 1x0o s LEU 41 N -6.08 3.43 0.00 1.67 1.43 -0.87 -0.41 118.68 117.84 1x0o s LEU 41 Ca -0.00 1.42 0.00 0.00 -1.03 0.00 0.00 54.13 54.51 1x0o s LEU 41 Cb 0.08 -3.19 0.00 0.00 0.03 0.00 0.00 46.19 43.11 1x0o s LEU 41 CO 0.79 -2.15 0.00 0.61 0.23 0.00 0.00 176.35 175.83 1x0o n GLY 42 N 5.73 0.99 3.84 -3.19 0.00 -0.81 -5.00 105.19 106.75 1x0o n GLY 42 Ca 0.29 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.09 1x0o n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x0o s LYS 43 N -0.54 2.92 -0.07 1.61 -0.14 0.45 -4.88 119.74 119.09 1x0o s LYS 43 Ca 0.00 -1.08 -0.11 0.00 -1.36 0.00 0.00 55.97 53.42 1x0o s LYS 43 Cb 0.00 -2.57 -0.05 0.00 -1.68 0.00 0.00 37.83 33.54 1x0o s LYS 43 CO 0.00 0.35 0.28 1.21 -0.76 0.00 0.00 175.35 176.43 1x0o s ASN 44 N -3.88 6.59 0.56 2.83 3.84 -1.26 -1.63 114.94 121.99 1x0o s ASN 44 Ca 0.34 0.70 0.30 0.00 0.21 0.00 0.00 52.86 54.41 1x0o s ASN 44 Cb -0.08 -2.17 1.69 0.00 -0.55 0.00 0.00 41.25 40.15 1x0o s ASN 44 CO 0.25 0.34 2.18 -0.29 -2.79 0.00 0.00 177.10 176.79 1x0o h ILE 45 N 3.93 0.51 0.00 -5.21 2.10 -1.38 -0.81 117.51 116.65 1x0o h ILE 45 Ca -0.52 -0.25 -0.07 0.00 1.08 0.00 0.00 64.86 65.11 1x0o h ILE 45 Cb 1.22 1.16 -0.01 0.00 -1.09 0.00 0.00 36.82 38.10 1x0o h ILE 45 CO 0.61 0.05 -0.32 0.58 -1.08 0.00 0.00 178.15 178.00 1x0o h VAL 46 N 0.00 0.80 -0.47 2.19 2.07 -1.88 -1.98 116.25 116.98 1x0o h VAL 46 Ca -0.00 -1.33 -0.12 0.00 0.82 0.00 0.00 66.70 66.06 1x0o h VAL 46 Cb 0.16 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1x0o h VAL 46 CO 0.01 0.31 -0.20 -0.33 0.02 0.00 0.00 177.57 177.38 1x0o h GLU 47 N 0.00 0.93 -0.58 1.57 4.39 -1.53 -2.83 114.58 116.53 1x0o h GLU 47 Ca -0.00 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1x0o h GLU 47 Cb 0.80 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1x0o h GLU 47 CO 0.04 1.04 0.00 1.19 -1.16 0.00 0.00 179.01 180.12 1x0o n PHE 48 N -4.12 2.06 -3.68 4.33 3.72 -1.10 -4.91 117.46 113.76 1x0o n PHE 48 Ca 0.00 -0.72 -0.36 0.00 -0.05 0.00 0.00 57.45 56.32 1x0o n PHE 48 Cb 0.44 -0.50 -0.06 0.00 -0.94 0.00 0.00 39.48 38.43 1x0o n PHE 48 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x0o n HIS 50 N 1.45 1.57 -0.27 0.00 -0.00 0.21 -4.75 115.22 113.43 1x0o n HIS 50 Ca -0.13 0.66 0.09 0.00 0.46 0.00 0.00 57.72 58.79 1x0o n HIS 50 Cb 0.53 -2.34 0.23 0.00 -0.12 0.00 0.00 29.99 28.29 1x0o n HIS 50 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1x0o h PRO 51 N 5.04 0.31 0.00 1.57 0.13 -1.93 0.51 132.00 137.64 1x0o h PRO 51 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1x0o h PRO 51 Cb 1.34 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1x0o h PRO 51 CO 0.81 0.21 0.00 0.39 -0.23 0.00 0.00 178.00 179.18 1x0o n GLU 52 N -5.12 0.42 0.00 0.86 1.02 -1.26 -2.60 120.64 113.96 1x0o n GLU 52 Ca 0.18 0.04 0.05 0.00 -0.02 0.00 0.00 57.16 57.40 1x0o n GLU 52 Cb 0.54 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.46 1x0o n GLU 52 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1x0o n ASP 53 N -1.26 1.19 -0.09 1.62 9.92 0.17 -4.59 116.55 123.53 1x0o n ASP 53 Ca 0.13 -1.09 -0.04 0.00 -0.53 0.00 0.00 54.79 53.26 1x0o n ASP 53 Cb 0.19 0.50 0.18 0.00 -0.64 0.00 0.00 41.12 41.36 1x0o n ASP 53 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1x0o h GLN 54 N 1.08 0.73 0.00 -1.24 4.20 -1.13 0.78 115.11 119.53 1x0o h GLN 54 Ca 0.00 -0.19 -0.16 0.00 0.06 0.00 0.00 58.65 58.36 1x0o h GLN 54 Cb 0.35 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1x0o h GLN 54 CO 0.00 0.75 -0.76 1.96 -0.67 0.00 0.00 178.83 180.11 1x0o h GLN 55 N 0.69 0.00 -0.77 1.46 1.08 -1.81 -2.67 115.11 113.09 1x0o h GLN 55 Ca 0.13 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.29 1x0o h GLN 55 Cb 0.44 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.84 1x0o h GLN 55 CO 0.02 0.76 0.30 1.25 -0.95 0.00 0.00 178.83 180.22 1x0o h LEU 56 N 0.00 1.07 -0.25 1.46 6.46 -1.40 0.24 115.31 122.88 1x0o h LEU 56 Ca -0.01 -0.18 -0.05 0.00 -0.12 0.00 0.00 57.88 57.52 1x0o h LEU 56 Cb 1.36 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 41.00 1x0o h LEU 56 CO 0.10 0.95 -0.06 -0.07 -0.62 0.00 0.00 178.44 178.75 1x0o h LEU 57 N 1.12 0.49 -0.35 2.25 3.38 -0.88 -1.79 115.31 119.52 1x0o h LEU 57 Ca 0.26 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.89 1x0o h LEU 57 Cb 0.22 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1x0o h LEU 57 CO -0.02 0.73 0.19 0.03 0.09 0.00 0.00 178.44 179.46 1x0o h ARG 58 N 0.23 0.37 -0.47 1.13 3.08 -1.19 0.16 114.38 117.70 1x0o h ARG 58 Ca 0.06 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 1x0o h ARG 58 Cb 0.52 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1x0o h ARG 58 CO 0.02 0.25 0.15 0.22 -1.07 0.00 0.00 179.97 179.54 1x0o h ASP 59 N 0.38 0.68 -0.07 7.04 3.58 -0.94 -0.67 116.42 126.42 1x0o h ASP 59 Ca 0.14 -0.20 -0.05 0.00 0.42 0.00 0.00 57.03 57.34 1x0o h ASP 59 Cb 0.03 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.90 1x0o h ASP 59 CO -0.08 0.70 -0.13 0.77 -2.88 0.00 0.00 179.24 177.62 1x0o h SER 60 N 0.63 0.24 -0.38 2.28 4.64 -1.10 -2.26 113.55 117.60 1x0o h SER 60 Ca 0.15 -0.55 -0.07 0.00 -0.47 0.00 0.00 61.79 60.86 1x0o h SER 60 Cb 0.26 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1x0o h SER 60 CO -0.01 0.75 0.02 -0.26 -0.87 0.00 0.00 176.83 176.46 1x0o h PHE 61 N -0.25 0.79 0.00 4.77 0.04 -0.65 -0.79 116.94 120.84 1x0o h PHE 61 Ca 0.00 -0.10 -0.09 0.00 2.80 0.00 0.00 57.97 60.59 1x0o h PHE 61 Cb 0.70 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 1x0o h PHE 61 CO 0.11 0.73 -0.41 -0.56 -0.60 0.00 0.00 178.31 177.57 1x0o h GLN 62 N 0.71 0.00 0.00 1.51 3.07 -1.13 -2.53 115.11 116.73 1x0o h GLN 62 Ca 0.14 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.73 1x0o h GLN 62 Cb 0.41 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.95 1x0o h GLN 62 CO 0.01 0.41 -0.72 1.96 0.09 0.00 0.00 178.83 180.58 1x0o h GLN 63 N 0.00 0.00 0.00 0.06 4.20 -0.67 -1.22 115.11 117.48 1x0o h GLN 63 Ca -0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 1x0o h GLN 63 Cb 1.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 1x0o h GLN 63 CO 0.05 0.72 -0.39 -0.24 -0.67 0.00 0.00 178.83 178.31 1x0o h VAL 64 N 0.00 0.95 0.00 -0.54 3.04 -0.96 0.56 116.25 119.30 1x0o h VAL 64 Ca -0.01 -1.53 -0.11 0.00 -1.01 0.00 0.00 66.70 64.05 1x0o h VAL 64 Cb 1.39 1.91 -0.02 0.00 -2.01 0.00 0.00 31.29 32.56 1x0o h VAL 64 CO 0.09 0.38 -0.52 0.58 -1.01 0.00 0.00 177.57 177.09 1x0o h VAL 65 N 0.00 1.24 0.15 1.51 2.07 -1.13 0.11 116.25 120.20 1x0o h VAL 65 Ca -0.00 -1.88 -0.30 0.00 0.82 0.00 0.00 66.70 65.34 1x0o h VAL 65 Cb 0.88 2.05 0.02 0.00 -1.52 0.00 0.00 31.29 32.72 1x0o h VAL 65 CO 0.05 0.51 -1.29 0.11 0.02 0.00 0.00 177.57 176.98 1x0o h LYS 66 N 0.00 0.49 0.13 1.57 1.57 -0.42 -3.35 116.57 116.57 1x0o h LYS 66 Ca -0.01 -0.73 -0.01 0.00 -1.87 0.00 0.00 60.65 58.03 1x0o h LYS 66 Cb 1.01 0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1x0o h LYS 66 CO 0.07 1.33 -0.06 -0.07 -0.57 0.00 0.00 179.45 180.15 1x0o h LEU 67 N 0.18 -0.15 -2.13 2.94 3.38 0.20 -3.50 115.31 116.25 1x0o h LEU 67 Ca -0.19 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.49 1x0o h LEU 67 Cb 1.97 0.04 -0.12 0.00 0.09 0.00 0.00 40.66 42.65 1x0o h LEU 67 CO 0.23 0.25 -1.41 0.29 0.09 0.00 0.00 178.44 177.89 1x0o n LYS 68 N -4.99 -4.07 0.00 1.13 5.02 0.36 -4.53 118.16 111.08 1x0o n LYS 68 Ca -0.09 3.12 0.00 0.00 -2.02 0.00 0.00 58.31 59.33 1x0o n LYS 68 Cb 0.23 -4.66 0.00 0.00 -0.02 0.00 0.00 35.03 30.58 1x0o n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x0o n GLY 69 N 1.47 0.88 3.85 0.72 0.00 -1.23 -4.97 105.19 105.91 1x0o n GLY 69 Ca -0.36 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 1x0o n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x0o s GLN 70 N -0.85 3.67 -0.22 1.61 2.00 -1.26 -4.89 119.66 119.72 1x0o s GLN 70 Ca 0.00 0.01 -0.29 0.00 -2.00 0.00 0.00 55.36 53.08 1x0o s GLN 70 Cb 0.00 -3.23 -0.00 0.00 0.80 0.00 0.00 33.01 30.58 1x0o s GLN 70 CO 0.00 0.69 1.21 0.08 -0.50 0.00 0.00 175.29 176.76 1x0o s VAL 71 N -0.84 4.36 -0.36 1.34 1.01 -1.25 -4.53 120.40 120.14 1x0o s VAL 71 Ca 0.17 1.62 -0.14 0.00 0.00 0.00 0.00 61.98 63.63 1x0o s VAL 71 Cb -0.13 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 1x0o s VAL 71 CO 0.06 -0.24 0.27 -0.22 0.00 0.00 0.00 175.10 174.97 1x0o s LEU 72 N 3.62 4.65 -0.26 3.92 1.98 0.16 -4.81 118.68 127.92 1x0o s LEU 72 Ca 0.52 -0.51 -0.14 0.00 -2.89 0.00 0.00 54.13 51.11 1x0o s LEU 72 Cb -0.18 -2.17 -0.04 0.00 0.66 0.00 0.00 46.19 44.46 1x0o s LEU 72 CO 0.14 -0.30 0.34 -0.94 -1.89 0.00 0.00 176.35 173.70 1x0o s SER 73 N 1.72 6.23 -0.01 3.68 1.04 -1.26 0.18 113.70 125.29 1x0o s SER 73 Ca 0.07 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.76 1x0o s SER 73 Cb -0.18 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1x0o s SER 73 CO 0.11 -0.14 -0.01 0.54 0.98 0.00 0.00 173.24 174.72 1x0o s VAL 74 N 1.88 0.12 -0.08 5.02 0.11 -0.06 -4.97 120.40 122.41 1x0o s VAL 74 Ca 0.14 -0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.18 1x0o s VAL 74 Cb -0.16 -0.13 -0.02 0.00 -1.53 0.00 0.00 36.38 34.54 1x0o s VAL 74 CO 0.09 0.05 -0.12 -0.32 -3.33 0.00 0.00 175.10 171.48 1x0o s MET 75 N 0.17 2.80 0.34 1.54 1.75 -1.26 -0.07 119.30 124.57 1x0o s MET 75 Ca -0.01 -0.66 -0.17 0.00 -1.25 0.00 0.00 55.69 53.60 1x0o s MET 75 Cb -0.03 -2.50 0.06 0.00 2.84 0.00 0.00 34.83 35.20 1x0o s MET 75 CO -0.00 0.52 0.84 -0.59 -0.65 0.00 0.00 175.02 175.14 1x0o s PHE 76 N -0.46 0.10 -0.28 4.11 -0.71 -0.71 -5.01 117.98 115.02 1x0o s PHE 76 Ca 0.06 -0.72 -0.07 0.00 -1.04 0.00 0.00 56.93 55.16 1x0o s PHE 76 Cb -0.12 0.81 -0.00 0.00 -1.21 0.00 0.00 43.02 42.50 1x0o s PHE 76 CO 0.02 -1.43 0.08 1.03 -1.34 0.00 0.00 175.22 173.58 1x0o s ARG 77 N -2.32 3.26 0.17 1.99 0.52 -1.26 -1.91 118.95 119.41 1x0o s ARG 77 Ca 0.17 -0.75 -0.15 0.00 -0.52 0.00 0.00 55.73 54.48 1x0o s ARG 77 Cb -0.05 -3.37 -0.07 0.00 0.52 0.00 0.00 34.95 31.98 1x0o s ARG 77 CO 0.10 -0.37 0.58 0.12 0.02 0.00 0.00 175.30 175.75 1x0o s PHE 78 N 1.54 3.59 -0.46 -0.53 2.19 0.19 -0.62 117.98 123.88 1x0o s PHE 78 Ca 0.04 1.10 -0.26 0.00 0.33 0.00 0.00 56.93 58.14 1x0o s PHE 78 Cb -0.17 -2.40 0.03 0.00 -1.31 0.00 0.00 43.02 39.17 1x0o s PHE 78 CO 0.03 0.39 0.97 0.50 1.83 0.00 0.00 175.22 178.94 1x0o s ARG 79 N -2.07 3.58 0.94 10.12 3.52 0.78 -1.17 118.95 134.65 1x0o s ARG 79 Ca 0.40 0.26 -0.12 0.00 -0.13 0.00 0.00 55.73 56.14 1x0o s ARG 79 Cb -0.15 -3.92 0.07 0.00 -1.56 0.00 0.00 34.95 29.40 1x0o s ARG 79 CO 0.19 -1.25 0.65 0.45 -0.81 0.00 0.00 175.30 174.54 1x0o n SER 80 N 7.29 -1.27 0.00 -2.12 2.88 0.13 -4.80 113.62 115.72 1x0o n SER 80 Ca 0.07 0.36 0.04 0.00 -1.33 0.00 0.00 58.87 58.02 1x0o n SER 80 Cb 0.49 -1.30 0.20 0.00 -0.75 0.00 0.00 64.21 62.84 1x0o n SER 80 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1x0o n LYS 81 N -2.51 0.00 -0.47 -1.46 3.00 0.34 -0.17 118.16 116.89 1x0o n LYS 81 Ca 0.08 0.34 0.09 0.00 -0.00 0.00 0.00 58.31 58.83 1x0o n LYS 81 Cb 0.53 -1.50 0.31 0.00 0.00 0.00 0.00 35.03 34.37 1x0o n LYS 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1x0o n ASN 82 N -1.49 4.21 -2.86 3.14 3.02 -1.26 -4.93 115.26 115.09 1x0o n ASN 82 Ca 0.02 -2.31 -0.15 0.00 -0.03 0.00 0.00 54.58 52.11 1x0o n ASN 82 Cb 0.11 -0.50 0.07 0.00 -0.61 0.00 0.00 39.78 38.84 1x0o n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x0o n GLN 83 N 1.02 -5.53 -4.15 3.52 3.00 0.76 -5.03 117.38 110.97 1x0o n GLN 83 Ca 0.23 0.64 -0.22 0.00 -0.01 0.00 0.00 57.00 57.64 1x0o n GLN 83 Cb 0.75 -5.08 -0.05 0.00 0.00 0.00 0.00 30.24 25.85 1x0o n GLN 83 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1x0o s GLU 84 N -5.47 2.63 -0.52 -1.09 2.02 -1.23 -4.86 118.70 110.19 1x0o s GLU 84 Ca 0.20 -1.25 -0.03 0.00 0.02 0.00 0.00 54.97 53.91 1x0o s GLU 84 Cb -0.09 -2.38 0.14 0.00 0.10 0.00 0.00 34.13 31.90 1x0o s GLU 84 CO 0.56 0.33 0.32 -1.58 0.02 0.00 0.00 175.26 174.91 1x0o s TRP 85 N -2.25 3.49 0.27 1.61 0.52 -1.26 0.20 118.94 121.52 1x0o s TRP 85 Ca 0.34 -2.59 0.03 0.00 0.02 0.00 0.00 56.10 53.90 1x0o s TRP 85 Cb -0.07 -3.20 -0.03 0.00 -1.15 0.00 0.00 33.47 29.02 1x0o s TRP 85 CO 0.23 -0.90 0.42 -0.48 0.02 0.00 0.00 176.95 176.24 1x0o s LEU 86 N 0.51 4.22 -0.15 2.99 0.05 -0.31 -4.79 118.68 121.20 1x0o s LEU 86 Ca 0.13 0.20 -0.20 0.00 0.05 0.00 0.00 54.13 54.31 1x0o s LEU 86 Cb -0.22 -3.01 -0.03 0.00 -2.05 0.00 0.00 46.19 40.88 1x0o s LEU 86 CO -0.04 -0.13 0.56 0.26 -0.55 0.00 0.00 176.35 176.45 1x0o s TRP 87 N -2.07 3.46 0.02 3.48 0.52 -1.26 -0.63 118.94 122.45 1x0o s TRP 87 Ca 0.36 0.93 -0.05 0.00 0.02 0.00 0.00 56.10 57.36 1x0o s TRP 87 Cb -0.09 -2.68 -0.01 0.00 -1.15 0.00 0.00 33.47 29.54 1x0o s TRP 87 CO 0.31 0.01 0.09 0.00 0.02 0.00 0.00 176.95 177.37 1x0o s MET 88 N 1.21 0.49 -0.22 4.98 0.23 -0.80 -1.44 119.30 123.75 1x0o s MET 88 Ca 0.28 -0.59 -0.01 0.00 -1.03 0.00 0.00 55.69 54.34 1x0o s MET 88 Cb -0.16 0.19 0.02 0.00 -1.53 0.00 0.00 34.83 33.35 1x0o s MET 88 CO 0.11 -0.11 -0.10 0.50 -2.03 0.00 0.00 175.02 173.39 1x0o s ARG 89 N -1.92 2.99 -0.15 3.16 3.52 0.20 -1.73 118.95 125.02 1x0o s ARG 89 Ca -0.11 -0.87 -0.08 0.00 -0.13 0.00 0.00 55.73 54.55 1x0o s ARG 89 Cb -0.05 -2.87 -0.04 0.00 -1.56 0.00 0.00 34.95 30.42 1x0o s ARG 89 CO -0.01 -0.30 0.12 0.99 -0.81 0.00 0.00 175.30 175.28 1x0o s THR 90 N 1.34 5.32 -0.25 4.11 2.01 0.90 -2.18 115.64 126.89 1x0o s THR 90 Ca 0.03 0.15 -0.08 0.00 0.31 0.00 0.00 61.69 62.09 1x0o s THR 90 Cb -0.15 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1x0o s THR 90 CO -0.07 0.54 0.10 -0.94 -0.69 0.00 0.00 174.62 173.57 1x0o s SER 91 N -0.36 5.45 -0.14 3.53 1.04 0.43 -0.88 113.70 122.77 1x0o s SER 91 Ca 0.11 -0.11 -0.07 0.00 0.48 0.00 0.00 55.95 56.35 1x0o s SER 91 Cb -0.12 -1.99 -0.04 0.00 0.10 0.00 0.00 66.02 63.98 1x0o s SER 91 CO 0.01 -0.01 0.12 -0.44 0.98 0.00 0.00 173.24 173.90 1x0o s SER 92 N 1.51 6.23 0.02 7.02 0.01 0.13 -0.55 113.70 128.07 1x0o s SER 92 Ca 0.06 0.37 0.04 0.00 1.31 0.00 0.00 55.95 57.74 1x0o s SER 92 Cb -0.15 -2.03 -0.02 0.00 0.21 0.00 0.00 66.02 64.04 1x0o s SER 92 CO 0.05 0.35 -0.13 0.12 0.41 0.00 0.00 173.24 174.04 1x0o s PHE 93 N -0.64 1.17 -0.23 2.43 5.36 -0.11 -0.67 117.98 125.28 1x0o s PHE 93 Ca 0.13 -0.29 -0.04 0.00 -0.96 0.00 0.00 56.93 55.76 1x0o s PHE 93 Cb -0.12 -0.72 -0.01 0.00 -0.34 0.00 0.00 43.02 41.84 1x0o s PHE 93 CO 0.02 0.01 -0.02 0.95 -1.46 0.00 0.00 175.22 174.72 1x0o s THR 94 N -0.61 3.49 -0.71 0.12 -4.23 -1.26 0.21 115.64 112.64 1x0o s THR 94 Ca 0.03 -0.53 -0.27 0.00 -1.18 0.00 0.00 61.69 59.74 1x0o s THR 94 Cb -0.07 -2.63 0.02 0.00 1.34 0.00 0.00 72.50 71.16 1x0o s THR 94 CO 0.00 0.36 1.42 0.12 -0.54 0.00 0.00 174.62 175.98 1x0o s PHE 95 N 1.48 2.13 -0.10 3.99 2.19 -0.94 -3.48 117.98 123.25 1x0o s PHE 95 Ca 0.05 0.16 -0.27 0.00 0.33 0.00 0.00 56.93 57.20 1x0o s PHE 95 Cb -0.15 -4.50 -0.02 0.00 -1.31 0.00 0.00 43.02 37.04 1x0o s PHE 95 CO -0.02 -2.13 0.86 -0.65 1.83 0.00 0.00 175.22 175.11 1x0o s GLN 96 N 6.05 4.41 -0.06 10.12 -0.21 -1.26 -1.05 119.66 137.66 1x0o s GLN 96 Ca 0.43 1.13 -0.30 0.00 0.02 0.00 0.00 55.36 56.64 1x0o s GLN 96 Cb -0.09 -3.51 -0.05 0.00 1.00 0.00 0.00 33.01 30.36 1x0o s GLN 96 CO 0.16 -0.16 1.49 1.21 -2.12 0.00 0.00 175.29 175.87 1x0o s ASN 97 N 1.02 6.78 0.00 5.90 3.84 0.15 -4.88 114.94 127.75 1x0o s ASN 97 Ca 0.43 2.08 0.01 0.00 0.21 0.00 0.00 52.86 55.59 1x0o s ASN 97 Cb -0.18 -2.54 0.05 0.00 -0.55 0.00 0.00 41.25 38.02 1x0o s ASN 97 CO 0.18 -0.83 0.46 -0.81 -2.79 0.00 0.00 177.10 173.32 1x0o n PRO 98 N 6.43 0.41 0.00 0.43 -0.04 -1.26 -0.06 135.00 140.92 1x0o n PRO 98 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1x0o n PRO 98 Cb 0.43 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 1x0o n PRO 98 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1x0o n TYR 99 N -0.53 0.00 0.76 0.54 4.02 -1.26 -4.79 117.16 115.90 1x0o n TYR 99 Ca 0.01 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.01 1x0o n TYR 99 Cb 0.00 0.09 0.15 0.00 -0.02 0.00 0.00 39.34 39.56 1x0o n TYR 99 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1x0o n SER 100 N -2.44 0.61 0.00 7.72 7.64 -1.16 -4.94 113.62 121.05 1x0o n SER 100 Ca 0.00 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1x0o n SER 100 Cb 0.31 0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 1x0o n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1x0o n ASP 101 N -1.80 -2.07 -4.92 6.43 2.03 0.92 -4.95 116.55 112.19 1x0o n ASP 101 Ca 0.04 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.08 1x0o n ASP 101 Cb 0.39 -2.34 0.06 0.00 -0.72 0.00 0.00 41.12 38.51 1x0o n ASP 101 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1x0o s GLU 102 N -1.11 2.44 -0.25 -0.67 -1.05 -1.26 -4.65 118.70 112.16 1x0o s GLU 102 Ca 0.00 -0.12 -0.10 0.00 -0.15 0.00 0.00 54.97 54.60 1x0o s GLU 102 Cb 0.00 -2.18 -0.05 0.00 -0.44 0.00 0.00 34.13 31.46 1x0o s GLU 102 CO 0.00 -1.09 0.16 0.42 0.95 0.00 0.00 175.26 175.70 1x0o s ILE 103 N -3.20 5.26 0.02 1.83 -1.09 -1.26 -0.67 121.20 122.10 1x0o s ILE 103 Ca 0.58 0.15 -0.25 0.00 -2.23 0.00 0.00 60.65 58.90 1x0o s ILE 103 Cb -0.11 -3.46 -0.18 0.00 -1.58 0.00 0.00 42.46 37.13 1x0o s ILE 103 CO 0.45 0.33 1.43 -0.33 -1.23 0.00 0.00 174.94 175.60 1x0o h GLU 104 N 7.71 -0.05 -2.05 2.79 5.08 -1.47 -3.49 114.58 123.10 1x0o h GLU 104 Ca -0.37 0.00 0.31 0.00 -1.00 0.00 0.00 59.36 58.30 1x0o h GLU 104 Cb 1.17 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.36 1x0o h GLU 104 CO 0.63 0.25 0.83 1.52 -1.00 0.00 0.00 179.01 181.24 1x0o s TYR 105 N -4.99 0.02 0.03 4.33 -0.85 -1.26 -4.92 117.35 109.71 1x0o s TYR 105 Ca -0.15 -0.18 -0.07 0.00 -0.52 0.00 0.00 57.07 56.16 1x0o s TYR 105 Cb 0.03 0.58 -0.05 0.00 0.38 0.00 0.00 41.96 42.90 1x0o s TYR 105 CO 0.66 -0.38 0.30 0.42 -1.52 0.00 0.00 175.55 175.02 1x0o s ILE 106 N -2.15 5.26 -0.28 -3.49 1.01 0.13 -2.22 121.20 119.45 1x0o s ILE 106 Ca 0.25 0.19 0.03 0.00 0.00 0.00 0.00 60.65 61.12 1x0o s ILE 106 Cb 0.00 -3.59 0.07 0.00 0.01 0.00 0.00 42.46 38.96 1x0o s ILE 106 CO -0.00 0.32 -0.05 -0.63 0.00 0.00 0.00 174.94 174.58 1x0o s ILE 107 N -1.35 2.13 -0.34 2.92 1.01 0.13 -0.31 121.20 125.39 1x0o s ILE 107 Ca 0.30 -1.82 -0.10 0.00 0.00 0.00 0.00 60.65 59.03 1x0o s ILE 107 Cb -0.13 -2.35 0.01 0.00 0.01 0.00 0.00 42.46 39.99 1x0o s ILE 107 CO 0.17 -0.22 0.16 0.00 0.00 0.00 0.00 174.94 175.05 1x0o s THR 109 N 1.57 4.77 -0.13 0.00 2.01 0.29 -1.55 115.64 122.60 1x0o s THR 109 Ca 0.03 1.54 -0.02 0.00 0.31 0.00 0.00 61.69 63.55 1x0o s THR 109 Cb -0.18 -4.07 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 1x0o s THR 109 CO 0.06 0.38 -0.07 0.21 -0.69 0.00 0.00 174.62 174.50 1x0o s ASN 110 N -0.09 4.54 -0.24 3.53 3.84 1.00 -0.43 114.94 127.09 1x0o s ASN 110 Ca 0.37 -0.17 0.01 0.00 0.21 0.00 0.00 52.86 53.28 1x0o s ASN 110 Cb -0.20 -1.61 0.06 0.00 -0.55 0.00 0.00 41.25 38.95 1x0o s ASN 110 CO 0.22 0.21 -0.05 -0.89 -2.79 0.00 0.00 177.10 173.80 1x0o s THR 111 N 0.12 1.48 -0.25 -5.21 2.01 -0.92 -2.54 115.64 110.33 1x0o s THR 111 Ca -0.03 -1.21 -0.26 0.00 0.31 0.00 0.00 61.69 60.50 1x0o s THR 111 Cb -0.14 -1.77 0.00 0.00 0.01 0.00 0.00 72.50 70.60 1x0o s THR 111 CO 0.03 -0.12 0.92 0.21 -0.69 0.00 0.00 174.62 174.97 1x0o s ASN 112 N 1.41 6.92 0.00 3.53 3.04 -0.95 -0.63 114.94 128.27 1x0o s ASN 112 Ca -0.05 1.13 0.00 0.00 0.04 0.00 0.00 52.86 53.98 1x0o s ASN 112 Cb -0.19 -2.48 0.00 0.00 -1.54 0.00 0.00 41.25 37.04 1x0o s ASN 112 CO -0.07 -0.61 0.00 0.52 -3.04 0.00 0.00 177.10 173.90 1x0o n VAL 113 N 5.35 0.00 -3.19 -5.21 0.31 -0.52 -4.95 118.33 110.13 1x0o n VAL 113 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1x0o n VAL 113 Cb 0.47 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 1x0o n VAL 113 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1x0o n LYS 114 N 0.00 0.00 -2.65 5.55 2.85 -1.26 -4.99 118.16 117.66 1x0o n LYS 114 Ca 0.00 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.19 1x0o n LYS 114 Cb 0.00 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.41 1x0o n LYS 114 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1x0o n ASN 115 N -1.28 -2.63 -2.70 -5.58 2.85 -1.26 -4.18 115.26 100.48 1x0o n ASN 115 Ca 0.00 -0.20 -0.04 0.00 -0.11 0.00 0.00 54.58 54.22 1x0o n ASN 115 Cb 0.00 -2.10 0.10 0.00 1.24 0.00 0.00 39.78 39.02 1x0o n ASN 115 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1x0o n SER 116 N -1.07 -0.86 -3.86 1.20 3.41 -1.26 -4.66 113.62 106.53 1x0o n SER 116 Ca -0.06 -2.33 -0.12 0.00 -0.26 0.00 0.00 58.87 56.11 1x0o n SER 116 Cb 0.54 0.50 -0.12 0.00 -0.26 0.00 0.00 64.21 64.87 1x0o n SER 116 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x0o s SER 117 N -1.76 -0.05 0.19 4.04 0.01 -1.26 -4.95 113.70 109.93 1x0o s SER 117 Ca 0.18 0.06 0.25 0.00 1.31 0.00 0.00 55.95 57.75 1x0o s SER 117 Cb 0.42 0.19 0.65 0.00 0.21 0.00 0.00 66.02 67.49 1x0o s SER 117 CO -0.08 -0.12 1.63 1.56 0.41 0.00 0.00 173.24 176.64 1x0o h GLN 118 N 5.56 0.00 0.00 12.44 1.08 -2.06 -3.55 115.11 128.58 1x0o h GLN 118 Ca -0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 1x0o h GLN 118 Cb 1.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 1x0o h GLN 118 CO 0.44 0.00 0.00 -1.91 -0.95 0.00 0.00 178.83 176.41