#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 2.21 -0.24 4.61 0.00 -1.26 -4.90 121.76 122.18 1x0o s ALA 2 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 51.96 51.73 1x0o s ALA 2 Cb 0.00 -4.23 0.07 0.00 0.00 0.00 0.00 23.12 18.96 1x0o s ALA 2 CO 0.00 -3.67 0.64 1.41 0.00 0.00 0.00 175.76 174.13 1x0o s MET 3 N 7.08 0.72 -0.27 0.00 1.75 -1.26 -2.32 119.30 125.00 1x0o s MET 3 Ca 0.85 0.95 -0.10 0.00 -1.25 0.00 0.00 55.69 56.14 1x0o s MET 3 Cb -0.19 0.30 0.01 0.00 2.84 0.00 0.00 34.83 37.79 1x0o s MET 3 CO 0.27 -0.11 0.36 -0.25 -0.65 0.00 0.00 175.02 174.65 1x0o n ASP 4 N 3.13 -5.77 -4.01 1.11 8.00 -1.26 -5.06 116.55 112.69 1x0o n ASP 4 Ca -0.16 0.36 -0.24 0.00 0.71 0.00 0.00 54.79 55.47 1x0o n ASP 4 Cb 0.56 -3.78 -0.16 0.00 -0.02 0.00 0.00 41.12 37.71 1x0o n ASP 4 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1x0o s ASN 5 N -1.98 1.64 -0.38 -2.24 0.01 -1.26 -5.10 114.94 105.63 1x0o s ASN 5 Ca 0.15 -0.27 0.01 0.00 -0.71 0.00 0.00 52.86 52.04 1x0o s ASN 5 Cb -0.04 -0.75 0.14 0.00 0.41 0.00 0.00 41.25 41.01 1x0o s ASN 5 CO 0.49 0.03 0.23 -0.69 -1.51 0.00 0.00 177.10 175.64 1x0o s VAL 6 N 0.66 0.50 0.00 1.60 1.01 -1.26 -4.74 120.40 118.18 1x0o s VAL 6 Ca -0.14 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.84 1x0o s VAL 6 Cb -0.15 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1x0o s VAL 6 CO 0.03 -0.98 0.00 0.00 0.00 0.00 0.00 175.10 174.15 1x0o s GLN 8 N 0.00 1.45 0.95 0.00 -1.52 -1.26 -5.07 119.66 114.20 1x0o s GLN 8 Ca 0.00 -1.24 -0.11 0.00 -1.95 0.00 0.00 55.36 52.05 1x0o s GLN 8 Cb 0.00 -1.82 0.16 0.00 -0.22 0.00 0.00 33.01 31.13 1x0o s GLN 8 CO 0.00 0.44 1.09 -2.14 -0.25 0.00 0.00 175.29 174.43 1x0o s PRO 9 N -1.79 0.82 -0.23 2.91 0.02 -1.26 -4.77 135.00 130.69 1x0o s PRO 9 Ca 0.12 0.99 0.01 0.00 0.02 0.00 0.00 61.00 62.13 1x0o s PRO 9 Cb -0.10 -1.74 0.25 0.00 0.02 0.00 0.00 34.50 32.92 1x0o s PRO 9 CO 0.05 -2.59 1.65 2.41 -0.33 0.00 0.00 177.00 178.18 1x0o n THR 10 N -4.15 2.25 -3.79 0.99 -1.04 -1.26 -4.09 114.28 103.20 1x0o n THR 10 Ca 0.07 -1.11 -0.13 0.00 -2.04 0.00 0.00 64.05 60.84 1x0o n THR 10 Cb 0.54 -1.01 -0.14 0.00 -1.82 0.00 0.00 70.33 67.90 1x0o n THR 10 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1x0o s GLU 11 N -1.50 0.09 0.02 -2.82 2.12 -1.26 -2.58 118.70 112.77 1x0o s GLU 11 Ca 0.26 0.25 0.05 0.00 0.36 0.00 0.00 54.97 55.90 1x0o s GLU 11 Cb 0.21 -0.09 -0.02 0.00 0.26 0.00 0.00 34.13 34.49 1x0o s GLU 11 CO 0.03 -0.10 -0.16 -0.59 -0.54 0.00 0.00 175.26 173.89 1x0o s PHE 12 N 0.70 1.42 -0.20 5.30 -0.71 -0.68 -4.78 117.98 119.02 1x0o s PHE 12 Ca -0.05 -0.32 -0.13 0.00 -1.04 0.00 0.00 56.93 55.39 1x0o s PHE 12 Cb -0.07 -0.87 -0.05 0.00 -1.21 0.00 0.00 43.02 40.82 1x0o s PHE 12 CO -0.03 0.02 0.27 0.42 -1.34 0.00 0.00 175.22 174.56 1x0o s ILE 13 N -0.63 5.30 0.02 -4.49 1.01 -1.26 -0.83 121.20 120.31 1x0o s ILE 13 Ca 0.05 0.44 0.02 0.00 0.00 0.00 0.00 60.65 61.16 1x0o s ILE 13 Cb -0.07 -3.60 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 1x0o s ILE 13 CO 0.01 0.34 -0.06 -0.94 0.00 0.00 0.00 174.94 174.28 1x0o s SER 14 N 0.83 0.70 -0.10 3.58 1.04 -0.70 -2.37 113.70 116.68 1x0o s SER 14 Ca 0.14 -0.34 0.04 0.00 0.48 0.00 0.00 55.95 56.27 1x0o s SER 14 Cb -0.13 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1x0o s SER 14 CO 0.05 -0.09 -0.24 -0.13 0.98 0.00 0.00 173.24 173.81 1x0o s ARG 15 N -0.91 3.05 0.14 4.02 0.52 0.22 -0.26 118.95 125.73 1x0o s ARG 15 Ca -0.05 -0.88 0.02 0.00 -0.52 0.00 0.00 55.73 54.30 1x0o s ARG 15 Cb -0.06 -2.31 -0.04 0.00 0.52 0.00 0.00 34.95 33.05 1x0o s ARG 15 CO 0.00 0.17 -0.03 -3.38 0.02 0.00 0.00 175.30 172.08 1x0o s HIS 16 N 0.36 1.11 0.58 -0.53 -3.43 0.49 -2.00 115.29 111.87 1x0o s HIS 16 Ca -0.18 -0.95 -0.16 0.00 -0.80 0.00 0.00 55.06 52.96 1x0o s HIS 16 Cb -0.18 -0.62 -0.04 0.00 -1.43 0.00 0.00 32.58 30.31 1x0o s HIS 16 CO 0.08 -0.16 1.06 0.54 -2.00 0.00 0.00 174.74 174.26 1x0o s ASN 17 N -3.13 5.84 0.57 7.38 4.22 0.76 -0.36 114.94 130.22 1x0o s ASN 17 Ca 0.19 1.83 0.31 0.00 -2.14 0.00 0.00 52.86 53.05 1x0o s ASN 17 Cb 0.05 -2.54 1.44 0.00 1.28 0.00 0.00 41.25 41.48 1x0o s ASN 17 CO 0.01 -1.13 1.80 0.16 -2.04 0.00 0.00 177.10 175.90 1x0o h ILE 18 N 0.55 0.36 0.00 0.54 3.07 -1.89 0.78 117.51 120.92 1x0o h ILE 18 Ca -0.47 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.94 1x0o h ILE 18 Cb 1.22 0.47 0.00 0.00 -0.27 0.00 0.00 36.82 38.24 1x0o h ILE 18 CO 0.58 0.00 0.00 -0.33 -1.05 0.00 0.00 178.15 177.35 1x0o h GLU 19 N 0.00 0.00 0.00 0.16 5.08 -2.00 -3.46 114.58 114.36 1x0o h GLU 19 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1x0o h GLU 19 Cb 1.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.04 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 0.42 1.24 3.59 -3.84 0.00 0.27 -4.90 105.19 101.97 1x0o n GLY 20 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 4.98 0.24 -0.61 -1.09 -1.05 -0.96 121.20 120.70 1x0o s ILE 21 Ca 0.00 0.74 -0.30 0.00 -2.23 0.00 0.00 60.65 58.86 1x0o s ILE 21 Cb 0.00 -3.96 -0.10 0.00 -1.58 0.00 0.00 42.46 36.83 1x0o s ILE 21 CO 0.00 -0.11 1.38 -0.36 -1.23 0.00 0.00 174.94 174.61 1x0o s PHE 22 N 2.50 3.11 0.00 3.97 0.08 -1.13 -0.17 117.98 126.34 1x0o s PHE 22 Ca 0.23 1.14 0.00 0.00 0.12 0.00 0.00 56.93 58.42 1x0o s PHE 22 Cb -0.15 -3.72 0.00 0.00 -0.57 0.00 0.00 43.02 38.57 1x0o s PHE 22 CO 0.12 -2.29 0.00 -2.37 -0.10 0.00 0.00 175.22 170.57 1x0o n THR 23 N 2.28 0.00 -3.69 0.64 5.66 -0.94 -2.32 114.28 115.90 1x0o n THR 23 Ca 0.06 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.87 1x0o n THR 23 Cb 0.41 -0.65 -0.18 0.00 -1.55 0.00 0.00 70.33 68.37 1x0o n THR 23 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 1x0o s PHE 24 N -1.83 0.08 -0.06 1.09 5.36 -0.85 -5.00 117.98 116.78 1x0o s PHE 24 Ca 0.00 0.22 0.04 0.00 -0.96 0.00 0.00 56.93 56.23 1x0o s PHE 24 Cb 0.00 -0.45 -0.00 0.00 -0.34 0.00 0.00 43.02 42.23 1x0o s PHE 24 CO 0.00 -0.18 -0.18 0.08 -1.46 0.00 0.00 175.22 173.48 1x0o s VAL 25 N 1.96 1.56 0.34 3.12 1.01 -1.26 -0.61 120.40 126.52 1x0o s VAL 25 Ca 0.02 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 1x0o s VAL 25 Cb -0.12 -1.35 -0.10 0.00 0.00 0.00 0.00 36.38 34.81 1x0o s VAL 25 CO -0.03 0.45 0.82 -0.62 0.00 0.00 0.00 175.10 175.71 1x0o s ASP 26 N 0.15 6.90 0.58 3.32 2.15 -1.00 -4.74 116.67 124.03 1x0o s ASP 26 Ca -0.08 1.46 0.31 0.00 0.43 0.00 0.00 52.55 54.68 1x0o s ASP 26 Cb -0.13 -2.44 1.40 0.00 -0.30 0.00 0.00 42.92 41.44 1x0o s ASP 26 CO 0.04 -0.21 1.75 0.45 -0.17 0.00 0.00 175.17 177.02 1x0o h HIS 27 N 2.35 0.00 0.00 -5.34 3.86 -1.97 -1.41 115.15 112.64 1x0o h HIS 27 Ca -0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 1x0o h HIS 27 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 1x0o h HIS 27 CO 0.62 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.95 1x0o n ARG 28 N -3.77 0.04 0.05 2.45 1.74 -1.26 -2.28 116.66 113.63 1x0o n ARG 28 Ca 0.17 0.49 0.03 0.00 -0.77 0.00 0.00 57.85 57.77 1x0o n ARG 28 Cb 1.03 -1.62 0.39 0.00 -1.02 0.00 0.00 32.46 31.24 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 0.41 1.18 -0.00 0.00 -1.51 -1.20 -1.59 116.25 113.54 1x0o h VAL 30 Ca 0.10 -0.36 -0.01 0.00 -1.23 0.00 0.00 66.70 65.20 1x0o h VAL 30 Cb 0.19 0.22 0.00 0.00 -2.13 0.00 0.00 31.29 29.57 1x0o h VAL 30 CO -0.00 0.18 -0.03 0.00 -1.23 0.00 0.00 177.57 176.49 1x0o h ALA 31 N 1.23 0.01 -0.50 5.19 0.00 -1.64 0.11 119.26 123.65 1x0o h ALA 31 Ca 0.24 -0.37 0.09 0.00 0.00 0.00 0.00 54.91 54.87 1x0o h ALA 31 Cb -0.07 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 1x0o h ALA 31 CO -0.05 -0.11 0.09 1.15 0.00 0.00 0.00 179.25 180.33 1x0o h THR 32 N -0.69 0.71 0.00 0.00 2.02 -1.34 -3.40 112.91 110.20 1x0o h THR 32 Ca -0.00 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1x0o h THR 32 Cb 0.75 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1x0o h THR 32 CO 0.01 0.04 -0.21 1.33 0.37 0.00 0.00 175.52 177.06 1x0o n VAL 33 N -5.13 0.00 0.00 3.16 0.24 -0.66 -4.92 118.33 111.03 1x0o n VAL 33 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 1x0o n VAL 33 Cb 0.25 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.44 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 0.98 0.83 3.57 7.63 0.00 0.39 -0.96 105.19 117.64 1x0o n GLY 34 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 3.15 0.43 1.61 2.02 -1.21 -4.53 117.35 116.82 1x0o s TYR 35 Ca 0.00 0.38 -0.24 0.00 -0.37 0.00 0.00 57.07 56.83 1x0o s TYR 35 Cb 0.00 -3.15 -0.08 0.00 -0.40 0.00 0.00 41.96 38.33 1x0o s TYR 35 CO 0.00 -0.63 1.22 -0.65 -1.57 0.00 0.00 175.55 173.92 1x0o s GLN 36 N 2.74 3.86 0.32 -0.62 -1.52 -1.26 -2.60 119.66 120.57 1x0o s GLN 36 Ca 0.25 1.94 0.06 0.00 -1.95 0.00 0.00 55.36 55.66 1x0o s GLN 36 Cb -0.14 -2.58 0.86 0.00 -0.22 0.00 0.00 33.01 30.92 1x0o s GLN 36 CO 0.15 -0.51 1.59 -1.35 -0.25 0.00 0.00 175.29 174.92 1x0o h PRO 37 N 2.37 0.06 -0.73 2.91 0.11 -1.82 0.64 132.00 135.54 1x0o h PRO 37 Ca -0.49 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.62 1x0o h PRO 37 Cb 1.25 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 1x0o h PRO 37 CO 0.61 0.04 0.48 1.96 -0.21 0.00 0.00 178.00 180.88 1x0o h GLN 38 N 0.06 0.96 0.00 1.05 1.08 -1.81 -2.21 115.11 114.24 1x0o h GLN 38 Ca 0.64 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.78 1x0o h GLN 38 Cb 1.40 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 1x0o h GLN 38 CO -0.83 0.63 0.00 0.39 -0.95 0.00 0.00 178.83 178.08 1x0o n GLU 39 N -4.58 0.49 -0.02 1.46 -0.58 0.22 -1.91 120.64 115.72 1x0o n GLU 39 Ca 0.07 0.04 -0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1x0o n GLU 39 Cb 0.02 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.32 1x0o n GLU 39 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1x0o n LEU 40 N -1.13 0.00 -4.72 -4.62 7.94 -0.98 -4.87 117.00 108.61 1x0o n LEU 40 Ca 0.13 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.61 1x0o n LEU 40 Cb 0.11 0.11 -0.03 0.00 0.53 0.00 0.00 43.42 44.15 1x0o n LEU 40 CO 0.13 0.11 1.29 -0.76 -1.11 0.00 0.00 177.39 177.06 1x0o s LEU 41 N -4.17 4.37 0.00 -1.96 1.43 -0.80 -2.67 118.68 114.88 1x0o s LEU 41 Ca -0.04 2.75 0.00 0.00 -1.03 0.00 0.00 54.13 55.82 1x0o s LEU 41 Cb 0.04 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1x0o s LEU 41 CO 0.36 -0.89 0.00 0.61 0.23 0.00 0.00 176.35 176.65 1x0o n GLY 42 N 3.70 3.38 3.73 -3.19 0.00 -0.98 -5.00 105.19 106.83 1x0o n GLY 42 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.80 2.65 0.34 1.61 1.02 -1.09 -4.86 119.74 118.62 1x0o s LYS 43 Ca 0.00 -1.03 -0.22 0.00 0.02 0.00 0.00 55.97 54.75 1x0o s LYS 43 Cb 0.00 -2.48 -0.10 0.00 -0.52 0.00 0.00 37.83 34.73 1x0o s LYS 43 CO 0.00 0.46 0.88 1.21 -0.92 0.00 0.00 175.35 176.98 1x0o s ASN 44 N -3.15 7.08 0.30 2.83 3.84 -1.26 -2.83 114.94 121.75 1x0o s ASN 44 Ca 0.30 1.64 -0.02 0.00 0.21 0.00 0.00 52.86 54.99 1x0o s ASN 44 Cb -0.09 -2.51 0.44 0.00 -0.55 0.00 0.00 41.25 38.54 1x0o s ASN 44 CO 0.21 -0.17 1.96 -0.29 -2.79 0.00 0.00 177.10 176.03 1x0o h ILE 45 N 2.31 1.20 0.00 -5.21 2.10 -1.40 -2.33 117.51 114.18 1x0o h ILE 45 Ca -0.48 -0.39 -0.02 0.00 1.08 0.00 0.00 64.86 65.05 1x0o h ILE 45 Cb 1.19 -0.03 -0.00 0.00 -1.09 0.00 0.00 36.82 36.89 1x0o h ILE 45 CO 0.64 0.21 -0.11 0.58 -1.08 0.00 0.00 178.15 178.38 1x0o h VAL 46 N 1.13 0.40 -0.11 2.19 2.07 -1.92 -1.57 116.25 118.43 1x0o h VAL 46 Ca 0.32 -0.64 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 1x0o h VAL 46 Cb -0.09 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1x0o h VAL 46 CO -0.08 0.11 -0.34 -0.33 0.02 0.00 0.00 177.57 176.96 1x0o h GLU 47 N 0.00 0.22 -0.46 1.57 5.08 -1.81 -2.07 114.58 117.11 1x0o h GLU 47 Ca -0.00 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1x0o h GLU 47 Cb 0.45 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1x0o h GLU 47 CO 0.01 0.54 0.01 1.19 -1.00 0.00 0.00 179.01 179.76 1x0o n PHE 48 N -4.09 1.66 -4.43 4.33 3.72 -0.64 -4.91 117.46 113.10 1x0o n PHE 48 Ca -0.01 -0.82 -0.34 0.00 -0.05 0.00 0.00 57.45 56.24 1x0o n PHE 48 Cb 0.42 -0.45 -0.12 0.00 -0.94 0.00 0.00 39.48 38.39 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 3.56 1.88 0.09 0.00 -0.00 -0.62 -4.81 115.22 115.31 1x0o n HIS 50 Ca -0.17 0.50 0.20 0.00 0.46 0.00 0.00 57.72 58.70 1x0o n HIS 50 Cb 0.52 -2.44 0.65 0.00 -0.12 0.00 0.00 29.99 28.61 1x0o n HIS 50 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1x0o h PRO 51 N 6.23 0.00 -0.00 1.57 0.11 -1.92 0.41 132.00 138.39 1x0o h PRO 51 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1x0o h PRO 51 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1x0o h PRO 51 CO 0.88 0.00 -0.24 0.39 -0.21 0.00 0.00 178.00 178.82 1x0o n GLU 52 N -3.40 0.27 -0.11 1.05 1.02 -1.26 -3.54 120.64 114.67 1x0o n GLU 52 Ca 0.09 -0.11 0.04 0.00 -0.02 0.00 0.00 57.16 57.16 1x0o n GLU 52 Cb 0.79 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.81 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 -1.27 2.51 0.12 1.62 8.00 0.14 -4.53 116.55 123.15 1x0o n ASP 53 Ca 0.09 -1.87 -0.01 0.00 0.71 0.00 0.00 54.79 53.71 1x0o n ASP 53 Cb 0.32 -0.14 0.22 0.00 -0.02 0.00 0.00 41.12 41.50 1x0o n ASP 53 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1x0o h GLN 54 N 1.57 0.12 -0.25 -1.24 4.20 -1.59 -1.99 115.11 115.93 1x0o h GLN 54 Ca 0.00 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 1x0o h GLN 54 Cb 0.61 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1x0o h GLN 54 CO 0.00 0.59 0.04 0.37 -0.67 0.00 0.00 178.83 179.16 1x0o h GLN 55 N 0.10 0.42 -0.39 1.46 -0.00 -1.83 0.92 115.11 115.80 1x0o h GLN 55 Ca 0.00 -0.12 0.08 0.00 -0.00 0.00 0.00 58.65 58.62 1x0o h GLN 55 Cb 0.91 -0.05 -0.08 0.00 0.00 0.00 0.00 27.48 28.26 1x0o h GLN 55 CO 0.07 0.55 -0.13 -0.07 0.00 0.00 0.00 178.83 179.26 1x0o h LEU 56 N 0.23 -0.45 -0.80 -2.39 3.38 -1.80 0.12 115.31 113.59 1x0o h LEU 56 Ca 0.08 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1x0o h LEU 56 Cb 0.34 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1x0o h LEU 56 CO 0.01 -0.16 0.48 -0.07 0.09 0.00 0.00 178.44 178.78 1x0o h LEU 57 N -0.04 0.97 0.56 1.67 3.38 -1.06 0.11 115.31 120.89 1x0o h LEU 57 Ca 0.19 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1x0o h LEU 57 Cb 0.33 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1x0o h LEU 57 CO -0.42 0.76 -0.49 0.03 0.09 0.00 0.00 178.44 178.41 1x0o h ARG 58 N 1.10 -0.98 -0.43 1.13 3.08 -0.06 -0.44 114.38 117.78 1x0o h ARG 58 Ca 0.29 0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.43 1x0o h ARG 58 Cb -0.03 0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1x0o h ARG 58 CO -0.05 -0.66 0.23 0.22 -1.07 0.00 0.00 179.97 178.64 1x0o h ASP 59 N -1.02 0.35 0.02 7.04 3.58 -0.71 -0.08 116.42 125.60 1x0o h ASP 59 Ca -0.07 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.39 1x0o h ASP 59 Cb 0.87 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.86 1x0o h ASP 59 CO -0.02 0.25 -0.01 0.77 -2.88 0.00 0.00 179.24 177.35 1x0o h SER 60 N 0.46 -0.02 -0.45 2.28 4.64 -0.77 -0.91 113.55 118.78 1x0o h SER 60 Ca 0.18 -0.40 -0.07 0.00 -0.47 0.00 0.00 61.79 61.03 1x0o h SER 60 Cb 0.06 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1x0o h SER 60 CO -0.11 0.39 0.02 -0.26 -0.87 0.00 0.00 176.83 176.00 1x0o h PHE 61 N -0.44 0.91 0.00 4.77 0.04 -0.92 0.17 116.94 121.47 1x0o h PHE 61 Ca -0.00 -0.13 -0.18 0.00 2.80 0.00 0.00 57.97 60.46 1x0o h PHE 61 Cb 0.42 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 1x0o h PHE 61 CO 0.07 0.82 -0.86 -0.56 -0.60 0.00 0.00 178.31 177.17 1x0o h GLN 62 N 0.79 0.01 0.01 1.51 3.07 -0.98 -2.42 115.11 117.10 1x0o h GLN 62 Ca 0.16 -0.02 -0.21 0.00 0.09 0.00 0.00 58.65 58.67 1x0o h GLN 62 Cb 0.45 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.99 1x0o h GLN 62 CO 0.02 0.87 -0.97 1.96 0.09 0.00 0.00 178.83 180.79 1x0o h GLN 63 N 0.01 0.04 0.00 0.06 4.20 -0.76 -2.67 115.11 115.98 1x0o h GLN 63 Ca -0.01 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 1x0o h GLN 63 Cb 1.52 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.31 1x0o h GLN 63 CO 0.11 0.98 -0.23 -0.24 -0.67 0.00 0.00 178.83 178.78 1x0o h VAL 64 N 0.01 0.53 -0.15 -0.54 3.04 -0.62 0.70 116.25 119.22 1x0o h VAL 64 Ca -0.02 -1.21 -0.13 0.00 -1.01 0.00 0.00 66.70 64.33 1x0o h VAL 64 Cb 1.70 1.84 -0.01 0.00 -2.01 0.00 0.00 31.29 32.81 1x0o h VAL 64 CO 0.13 0.23 -0.45 0.58 -1.01 0.00 0.00 177.57 177.05 1x0o h VAL 65 N 0.00 1.32 0.01 1.51 2.07 -1.34 -2.84 116.25 116.98 1x0o h VAL 65 Ca -0.00 -1.64 -0.20 0.00 0.82 0.00 0.00 66.70 65.68 1x0o h VAL 65 Cb 0.82 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1x0o h VAL 65 CO 0.03 0.50 -0.88 0.11 0.02 0.00 0.00 177.57 177.35 1x0o h LYS 66 N 0.30 0.17 -1.00 1.57 1.57 -0.96 -3.28 116.57 114.93 1x0o h LYS 66 Ca 0.02 -0.19 -0.30 0.00 -1.87 0.00 0.00 60.65 58.31 1x0o h LYS 66 Cb 0.91 0.06 -0.18 0.00 0.08 0.00 0.00 32.23 33.10 1x0o h LYS 66 CO 0.08 0.94 0.38 1.28 -0.57 0.00 0.00 179.45 181.56 1x0o n LEU 67 N -3.63 5.16 -2.55 2.94 4.77 0.23 -4.99 117.00 118.93 1x0o n LEU 67 Ca -0.03 -2.71 -0.36 0.00 -0.03 0.00 0.00 56.01 52.87 1x0o n LEU 67 Cb 0.81 -0.70 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 1x0o n LEU 67 CO 0.48 0.82 0.80 0.29 -1.33 0.00 0.00 177.39 178.44 1x0o n LYS 68 N -0.44 0.00 0.00 3.23 5.02 -1.09 0.16 118.16 125.05 1x0o n LYS 68 Ca 0.34 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 1x0o n LYS 68 Cb 1.17 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 35.33 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 3.15 2.20 3.84 0.72 0.00 -1.26 -5.04 105.19 108.81 1x0o n GLY 69 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 1x0o n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x0o s GLN 70 N -0.91 3.64 -0.08 1.61 -0.21 0.12 -4.98 119.66 118.86 1x0o s GLN 70 Ca 0.00 -0.13 -0.26 0.00 0.02 0.00 0.00 55.36 54.99 1x0o s GLN 70 Cb 0.00 -3.25 -0.03 0.00 1.00 0.00 0.00 33.01 30.73 1x0o s GLN 70 CO 0.00 0.66 0.82 0.08 -2.12 0.00 0.00 175.29 174.73 1x0o s VAL 71 N -0.69 4.94 -0.18 1.09 1.01 -1.25 -4.62 120.40 120.70 1x0o s VAL 71 Ca 0.14 1.68 -0.01 0.00 0.00 0.00 0.00 61.98 63.79 1x0o s VAL 71 Cb -0.12 -4.15 -0.00 0.00 0.00 0.00 0.00 36.38 32.11 1x0o s VAL 71 CO 0.03 0.15 -0.12 -0.22 0.00 0.00 0.00 175.10 174.95 1x0o s LEU 72 N 1.28 2.61 -0.25 3.92 2.96 0.07 -4.85 118.68 124.42 1x0o s LEU 72 Ca 0.42 -0.45 -0.14 0.00 -0.22 0.00 0.00 54.13 53.74 1x0o s LEU 72 Cb -0.18 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1x0o s LEU 72 CO 0.19 0.04 0.35 -0.55 -1.32 0.00 0.00 176.35 175.06 1x0o s SER 73 N 1.09 6.28 -0.02 3.68 0.15 -1.26 0.09 113.70 123.71 1x0o s SER 73 Ca 0.00 0.32 0.03 0.00 0.70 0.00 0.00 55.95 57.00 1x0o s SER 73 Cb -0.14 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1x0o s SER 73 CO -0.03 -0.11 -0.09 0.54 1.20 0.00 0.00 173.24 174.75 1x0o s VAL 74 N 1.70 0.77 -0.15 4.45 0.11 -0.50 -4.98 120.40 121.79 1x0o s VAL 74 Ca 0.15 -0.37 -0.02 0.00 -2.93 0.00 0.00 61.98 58.81 1x0o s VAL 74 Cb -0.15 -0.68 -0.02 0.00 -1.53 0.00 0.00 36.38 34.00 1x0o s VAL 74 CO 0.09 0.24 -0.07 -0.32 -3.33 0.00 0.00 175.10 171.70 1x0o s MET 75 N 0.10 3.57 0.37 1.54 1.75 -1.26 -0.28 119.30 125.08 1x0o s MET 75 Ca -0.02 -0.58 -0.09 0.00 -1.25 0.00 0.00 55.69 53.75 1x0o s MET 75 Cb -0.07 -2.81 0.03 0.00 2.84 0.00 0.00 34.83 34.82 1x0o s MET 75 CO 0.00 0.23 0.64 -0.59 -0.65 0.00 0.00 175.02 174.65 1x0o s PHE 76 N 0.36 0.60 -0.14 4.11 -0.71 -0.25 -5.00 117.98 116.95 1x0o s PHE 76 Ca -0.07 -1.06 -0.02 0.00 -1.04 0.00 0.00 56.93 54.75 1x0o s PHE 76 Cb -0.15 0.38 -0.02 0.00 -1.21 0.00 0.00 43.02 42.02 1x0o s PHE 76 CO 0.04 -1.37 -0.08 1.03 -1.34 0.00 0.00 175.22 173.50 1x0o s ARG 77 N -2.64 3.53 0.02 1.99 0.52 -1.26 -1.25 118.95 119.87 1x0o s ARG 77 Ca 0.23 -0.59 0.01 0.00 -0.52 0.00 0.00 55.73 54.86 1x0o s ARG 77 Cb -0.03 -2.78 -0.04 0.00 0.52 0.00 0.00 34.95 32.62 1x0o s ARG 77 CO 0.16 0.24 0.05 0.12 0.02 0.00 0.00 175.30 175.89 1x0o s PHE 78 N 0.33 3.19 -0.65 -0.53 5.36 -0.45 -1.59 117.98 123.64 1x0o s PHE 78 Ca -0.07 0.13 -0.26 0.00 -0.96 0.00 0.00 56.93 55.76 1x0o s PHE 78 Cb -0.15 -1.68 0.04 0.00 -0.34 0.00 0.00 43.02 40.89 1x0o s PHE 78 CO 0.04 0.51 1.16 0.50 -1.46 0.00 0.00 175.22 175.98 1x0o s ARG 79 N -1.88 3.31 1.07 10.12 3.52 0.80 -2.10 118.95 133.80 1x0o s ARG 79 Ca 0.24 -0.15 -0.14 0.00 -0.13 0.00 0.00 55.73 55.55 1x0o s ARG 79 Cb -0.12 -4.11 0.18 0.00 -1.56 0.00 0.00 34.95 29.34 1x0o s ARG 79 CO 0.15 -1.85 0.69 0.45 -0.81 0.00 0.00 175.30 173.94 1x0o n SER 80 N 8.56 -1.53 0.00 -2.12 2.88 0.85 -4.83 113.62 117.43 1x0o n SER 80 Ca 0.04 0.05 0.06 0.00 -1.33 0.00 0.00 58.87 57.68 1x0o n SER 80 Cb 0.48 -1.22 0.25 0.00 -0.75 0.00 0.00 64.21 62.98 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 -3.58 0.04 -0.25 -1.46 3.00 -0.13 -0.66 118.16 115.11 1x0o n LYS 81 Ca 0.05 0.28 0.12 0.00 -0.00 0.00 0.00 58.31 58.75 1x0o n LYS 81 Cb 0.55 -1.50 0.26 0.00 0.00 0.00 0.00 35.03 34.35 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 -1.45 3.50 -0.87 3.14 3.02 -1.26 -4.92 115.26 116.41 1x0o n ASN 82 Ca 0.03 -1.98 -0.11 0.00 -0.03 0.00 0.00 54.58 52.49 1x0o n ASN 82 Cb 0.12 -0.33 -0.05 0.00 -0.61 0.00 0.00 39.78 38.92 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 1.47 -0.85 -3.62 3.52 3.00 0.16 -5.01 117.38 116.05 1x0o n GLN 83 Ca 0.21 0.89 -0.27 0.00 -0.01 0.00 0.00 57.00 57.82 1x0o n GLN 83 Cb 0.59 -4.89 -0.03 0.00 0.00 0.00 0.00 30.24 25.91 1x0o n GLN 83 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 1x0o s GLU 84 N -2.92 3.53 -0.42 -1.09 -1.05 -1.26 -4.85 118.70 110.64 1x0o s GLU 84 Ca 0.00 -0.29 0.00 0.00 -0.15 0.00 0.00 54.97 54.53 1x0o s GLU 84 Cb 0.00 -2.79 0.11 0.00 -0.44 0.00 0.00 34.13 31.01 1x0o s GLU 84 CO 0.00 0.35 0.18 -1.58 0.95 0.00 0.00 175.26 175.16 1x0o s TRP 85 N -1.94 3.59 0.43 4.83 0.52 -1.26 -0.10 118.94 125.01 1x0o s TRP 85 Ca 0.39 -2.74 0.05 0.00 0.02 0.00 0.00 56.10 53.83 1x0o s TRP 85 Cb -0.11 -3.08 0.01 0.00 -1.15 0.00 0.00 33.47 29.14 1x0o s TRP 85 CO 0.30 -0.93 0.61 -0.48 0.02 0.00 0.00 176.95 176.47 1x0o s LEU 86 N 0.78 3.64 -0.20 2.99 0.05 -0.89 -4.58 118.68 120.47 1x0o s LEU 86 Ca 0.11 -0.17 -0.20 0.00 0.05 0.00 0.00 54.13 53.92 1x0o s LEU 86 Cb -0.21 -2.80 -0.03 0.00 -2.05 0.00 0.00 46.19 41.10 1x0o s LEU 86 CO -0.05 -0.76 0.61 0.26 -0.55 0.00 0.00 176.35 175.85 1x0o s TRP 87 N -2.44 3.38 0.04 3.48 0.52 -0.36 -1.34 118.94 122.22 1x0o s TRP 87 Ca 0.52 0.90 0.02 0.00 0.02 0.00 0.00 56.10 57.56 1x0o s TRP 87 Cb -0.10 -2.77 -0.02 0.00 -1.15 0.00 0.00 33.47 29.42 1x0o s TRP 87 CO 0.34 -0.16 -0.07 0.00 0.02 0.00 0.00 176.95 177.09 1x0o s MET 88 N 1.85 0.49 -0.24 4.98 0.23 -0.38 -0.76 119.30 125.48 1x0o s MET 88 Ca 0.28 -0.76 0.01 0.00 -1.03 0.00 0.00 55.69 54.19 1x0o s MET 88 Cb -0.16 -0.18 0.04 0.00 -1.53 0.00 0.00 34.83 33.00 1x0o s MET 88 CO 0.10 0.02 -0.12 0.50 -2.03 0.00 0.00 175.02 173.50 1x0o s ARG 89 N -1.70 2.63 -0.09 3.16 3.52 0.59 -1.09 118.95 125.97 1x0o s ARG 89 Ca -0.10 -1.09 -0.14 0.00 -0.13 0.00 0.00 55.73 54.27 1x0o s ARG 89 Cb -0.09 -2.84 -0.05 0.00 -1.56 0.00 0.00 34.95 30.41 1x0o s ARG 89 CO -0.00 -0.42 0.35 0.99 -0.81 0.00 0.00 175.30 175.40 1x0o s THR 90 N 1.23 5.21 -0.32 4.11 2.01 0.61 -2.34 115.64 126.15 1x0o s THR 90 Ca -0.02 0.68 -0.19 0.00 0.31 0.00 0.00 61.69 62.47 1x0o s THR 90 Cb -0.17 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 1x0o s THR 90 CO -0.07 0.47 0.54 -0.44 -0.69 0.00 0.00 174.62 174.43 1x0o s SER 91 N -0.23 6.38 -0.12 3.53 0.01 0.60 -1.42 113.70 122.45 1x0o s SER 91 Ca 0.20 0.22 -0.16 0.00 1.31 0.00 0.00 55.95 57.52 1x0o s SER 91 Cb -0.15 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.75 1x0o s SER 91 CO 0.08 -0.43 0.40 -0.44 0.41 0.00 0.00 173.24 173.26 1x0o s SER 92 N 1.69 6.60 -0.02 2.44 0.01 0.11 -1.90 113.70 122.63 1x0o s SER 92 Ca 0.21 0.71 0.01 0.00 1.31 0.00 0.00 55.95 58.19 1x0o s SER 92 Cb -0.15 -2.24 0.01 0.00 0.21 0.00 0.00 66.02 63.84 1x0o s SER 92 CO 0.12 0.07 -0.05 0.12 0.41 0.00 0.00 173.24 173.91 1x0o s PHE 93 N 0.42 0.55 -0.34 2.43 2.19 -0.77 -0.75 117.98 121.71 1x0o s PHE 93 Ca 0.22 -0.11 -0.10 0.00 0.33 0.00 0.00 56.93 57.27 1x0o s PHE 93 Cb -0.14 -0.44 0.01 0.00 -1.31 0.00 0.00 43.02 41.13 1x0o s PHE 93 CO 0.08 -0.08 0.17 0.95 1.83 0.00 0.00 175.22 178.17 1x0o s THR 94 N 0.35 4.50 -0.03 0.12 -4.23 -1.26 -0.09 115.64 114.99 1x0o s THR 94 Ca -0.04 -0.65 -0.30 0.00 -1.18 0.00 0.00 61.69 59.52 1x0o s THR 94 Cb -0.08 -3.39 -0.04 0.00 1.34 0.00 0.00 72.50 70.33 1x0o s THR 94 CO -0.00 -0.06 1.20 0.12 -0.54 0.00 0.00 174.62 175.34 1x0o s PHE 95 N 1.57 3.23 -0.13 3.99 2.19 -0.64 -3.97 117.98 124.22 1x0o s PHE 95 Ca 0.03 1.23 -0.07 0.00 0.33 0.00 0.00 56.93 58.45 1x0o s PHE 95 Cb -0.18 -3.42 -0.04 0.00 -1.31 0.00 0.00 43.02 38.07 1x0o s PHE 95 CO 0.06 -1.31 0.11 -0.65 1.83 0.00 0.00 175.22 175.26 1x0o s GLN 96 N 1.99 3.53 -0.42 10.12 -0.21 -1.26 -1.96 119.66 131.45 1x0o s GLN 96 Ca 0.56 -0.20 -0.28 0.00 0.02 0.00 0.00 55.36 55.46 1x0o s GLN 96 Cb -0.26 -3.17 -0.00 0.00 1.00 0.00 0.00 33.01 30.58 1x0o s GLN 96 CO 0.23 0.66 1.57 1.21 -2.12 0.00 0.00 175.29 176.85 1x0o s ASN 97 N -0.70 6.09 0.00 5.90 3.84 0.15 -4.89 114.94 125.33 1x0o s ASN 97 Ca 0.13 0.88 0.02 0.00 0.21 0.00 0.00 52.86 54.11 1x0o s ASN 97 Cb -0.12 -2.54 0.13 0.00 -0.55 0.00 0.00 41.25 38.18 1x0o s ASN 97 CO 0.03 -1.63 0.83 -0.81 -2.79 0.00 0.00 177.10 172.73 1x0o n PRO 98 N 8.35 0.05 -0.00 0.43 -0.04 -1.26 0.40 135.00 142.92 1x0o n PRO 98 Ca 0.18 0.20 0.05 0.00 -0.04 0.00 0.00 63.50 63.89 1x0o n PRO 98 Cb 0.48 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.22 0.00 -0.68 0.54 4.02 -1.26 -4.71 117.16 113.85 1x0o n TYR 99 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1x0o n TYR 99 Cb 0.02 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.25 1x0o n TYR 99 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1x0o n SER 100 N -1.47 0.09 -1.23 7.72 2.88 -0.17 -5.01 113.62 116.43 1x0o n SER 100 Ca 0.00 -0.78 -0.14 0.00 -1.33 0.00 0.00 58.87 56.63 1x0o n SER 100 Cb 0.19 0.03 -0.06 0.00 -0.75 0.00 0.00 64.21 63.62 1x0o n SER 100 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1x0o n ASP 101 N -0.03 -4.43 -4.93 -3.46 8.00 0.16 -4.96 116.55 106.92 1x0o n ASP 101 Ca 0.00 0.34 -0.25 0.00 0.71 0.00 0.00 54.79 55.59 1x0o n ASP 101 Cb 0.17 -3.78 -0.01 0.00 -0.02 0.00 0.00 41.12 37.48 1x0o n ASP 101 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1x0o s GLU 102 N -3.10 3.52 -0.34 -1.24 4.04 -1.25 -4.74 118.70 115.60 1x0o s GLU 102 Ca 0.00 -0.13 -0.15 0.00 0.04 0.00 0.00 54.97 54.73 1x0o s GLU 102 Cb 0.00 -2.58 -0.02 0.00 0.02 0.00 0.00 34.13 31.56 1x0o s GLU 102 CO 0.00 0.06 0.33 0.42 -1.84 0.00 0.00 175.26 174.23 1x0o s ILE 103 N -2.41 5.20 0.10 1.83 -1.09 -1.26 0.32 121.20 123.89 1x0o s ILE 103 Ca 0.43 0.01 -0.12 0.00 -2.23 0.00 0.00 60.65 58.74 1x0o s ILE 103 Cb -0.10 -3.79 -0.17 0.00 -1.58 0.00 0.00 42.46 36.82 1x0o s ILE 103 CO 0.38 -0.06 1.29 1.05 -1.23 0.00 0.00 174.94 176.37 1x0o h GLU 104 N 8.46 0.74 -2.49 2.79 4.11 -1.74 -3.48 114.58 122.96 1x0o h GLU 104 Ca -0.30 -0.65 0.12 0.00 0.07 0.00 0.00 59.36 58.60 1x0o h GLU 104 Cb 1.15 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 30.45 1x0o h GLU 104 CO 0.67 1.25 0.42 1.52 0.07 0.00 0.00 179.01 182.94 1x0o s TYR 105 N -3.63 -0.25 -0.07 2.06 -0.85 -1.26 -4.70 117.35 108.65 1x0o s TYR 105 Ca -0.10 -0.02 -0.02 0.00 -0.52 0.00 0.00 57.07 56.41 1x0o s TYR 105 Cb 0.08 0.61 -0.04 0.00 0.38 0.00 0.00 41.96 43.00 1x0o s TYR 105 CO 0.90 -0.81 0.05 0.42 -1.52 0.00 0.00 175.55 174.60 1x0o s ILE 106 N -3.38 4.67 -0.30 -3.49 1.01 0.51 -1.62 121.20 118.61 1x0o s ILE 106 Ca 0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.50 1x0o s ILE 106 Cb -0.02 -3.03 0.03 0.00 0.01 0.00 0.00 42.46 39.45 1x0o s ILE 106 CO -0.02 0.54 0.03 -0.63 0.00 0.00 0.00 174.94 174.85 1x0o s ILE 107 N -1.00 3.36 -0.38 2.92 1.01 0.87 -0.38 121.20 127.59 1x0o s ILE 107 Ca 0.16 -1.09 -0.10 0.00 0.00 0.00 0.00 60.65 59.62 1x0o s ILE 107 Cb -0.12 -2.83 0.04 0.00 0.01 0.00 0.00 42.46 39.56 1x0o s ILE 107 CO 0.06 -0.01 0.21 0.00 0.00 0.00 0.00 174.94 175.20 1x0o s THR 109 N 1.52 4.83 -0.35 0.00 2.01 -0.80 -1.72 115.64 121.14 1x0o s THR 109 Ca 0.02 0.71 -0.09 0.00 0.31 0.00 0.00 61.69 62.63 1x0o s THR 109 Cb -0.20 -4.12 0.02 0.00 0.01 0.00 0.00 72.50 68.21 1x0o s THR 109 CO 0.06 -0.35 0.16 0.20 -0.69 0.00 0.00 174.62 173.99 1x0o s ASN 110 N 1.80 5.52 -0.30 3.53 -0.87 -0.01 -0.29 114.94 124.31 1x0o s ASN 110 Ca 0.27 -0.94 -0.06 0.00 -1.57 0.00 0.00 52.86 50.56 1x0o s ASN 110 Cb -0.14 -1.96 0.02 0.00 -0.02 0.00 0.00 41.25 39.15 1x0o s ASN 110 CO 0.15 -0.32 0.08 -0.89 -2.57 0.00 0.00 177.10 173.55 1x0o s THR 111 N 1.51 3.84 0.01 1.60 2.01 -0.99 -1.68 115.64 121.94 1x0o s THR 111 Ca 0.01 -0.84 -0.27 0.00 0.31 0.00 0.00 61.69 60.90 1x0o s THR 111 Cb -0.19 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 1x0o s THR 111 CO 0.05 0.01 0.87 0.21 -0.69 0.00 0.00 174.62 175.07 1x0o s ASN 112 N 1.46 7.27 0.00 3.53 3.84 -1.06 -0.30 114.94 129.68 1x0o s ASN 112 Ca 0.01 1.53 0.00 0.00 0.21 0.00 0.00 52.86 54.61 1x0o s ASN 112 Cb -0.18 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.01 1x0o s ASN 112 CO 0.02 -0.14 0.00 0.52 -2.79 0.00 0.00 177.10 174.71 1x0o n VAL 113 N 3.48 0.00 -2.54 -5.21 0.31 0.06 -4.93 118.33 109.50 1x0o n VAL 113 Ca 0.02 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.11 1x0o n VAL 113 Cb 0.51 -0.14 0.10 0.00 -0.91 0.00 0.00 33.84 33.40 1x0o n VAL 113 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1x0o s LYS 114 N 0.00 1.77 -0.21 5.55 1.02 -1.22 -4.95 119.74 121.71 1x0o s LYS 114 Ca 0.00 -0.98 0.13 0.00 0.02 0.00 0.00 55.97 55.14 1x0o s LYS 114 Cb 0.00 -2.32 0.44 0.00 -0.52 0.00 0.00 37.83 35.43 1x0o s LYS 114 CO 0.00 -1.39 1.20 -1.71 -0.92 0.00 0.00 175.35 172.53 1x0o n ASN 115 N -2.82 2.48 -2.12 2.83 5.15 -1.26 -1.22 115.26 118.30 1x0o n ASN 115 Ca 0.14 -3.48 -0.21 0.00 -0.60 0.00 0.00 54.58 50.43 1x0o n ASN 115 Cb 0.60 -0.44 -0.04 0.00 -0.53 0.00 0.00 39.78 39.37 1x0o n ASN 115 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1x0o n SER 116 N -0.75 -5.80 -1.83 1.20 2.88 -1.26 -1.13 113.62 106.93 1x0o n SER 116 Ca 0.23 0.17 -0.20 0.00 -1.33 0.00 0.00 58.87 57.74 1x0o n SER 116 Cb 0.84 -4.92 -0.06 0.00 -0.75 0.00 0.00 64.21 59.32 1x0o n SER 116 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x0o n SER 117 N -1.79 -5.55 0.00 -3.46 2.88 -1.26 -4.83 113.62 99.62 1x0o n SER 117 Ca -0.24 0.30 0.03 0.00 -1.33 0.00 0.00 58.87 57.64 1x0o n SER 117 Cb 0.69 -4.72 0.18 0.00 -0.75 0.00 0.00 64.21 59.60 1x0o n SER 117 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x0o n GLN 118 N -2.61 0.95 0.00 -1.46 6.02 -0.28 -5.28 117.38 114.72 1x0o n GLN 118 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.77 1x0o n GLN 118 Cb 0.67 -1.10 0.00 0.00 1.02 0.00 0.00 30.24 30.83 1x0o n GLN 118 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20