#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ywu s SER 2 N 0.00 6.55 0.03 7.83 0.01 -1.26 -5.01 113.70 121.86 1ywu s SER 2 Ca 0.00 1.12 -0.14 0.00 1.31 0.00 0.00 55.95 58.24 1ywu s SER 2 Cb 0.00 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.63 1ywu s SER 2 CO 0.00 -1.20 0.44 -0.62 0.41 0.00 0.00 173.24 172.27 1ywu s ASP 3 N 3.23 6.82 0.00 2.44 2.15 -1.26 -5.05 116.67 125.00 1ywu s ASP 3 Ca 0.59 0.98 0.00 0.00 0.43 0.00 0.00 52.55 54.55 1ywu s ASP 3 Cb -0.16 -2.26 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1ywu s ASP 3 CO 0.26 0.28 0.00 0.00 -0.17 0.00 0.00 175.17 175.54 1ywu n GLN 4 N 1.57 0.00 -3.65 4.34 6.02 -1.26 -5.11 117.38 119.30 1ywu n GLN 4 Ca -0.12 0.01 -0.02 0.00 -0.01 0.00 0.00 57.00 56.87 1ywu n GLN 4 Cb 0.52 -0.33 -0.03 0.00 1.02 0.00 0.00 30.24 31.42 1ywu n GLN 4 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1ywu s HIS 5 N -0.04 -0.01 0.85 1.08 -3.43 -1.26 -5.16 115.29 107.32 1ywu s HIS 5 Ca 0.00 0.01 -0.12 0.00 -0.80 0.00 0.00 55.06 54.14 1ywu s HIS 5 Cb 0.00 0.50 0.11 0.00 -1.43 0.00 0.00 32.58 31.76 1ywu s HIS 5 CO 0.00 -0.01 1.18 0.34 -2.00 0.00 0.00 174.74 174.25 1ywu s ASP 6 N -1.55 4.08 -0.11 7.38 2.15 -1.26 -4.82 116.67 122.55 1ywu s ASP 6 Ca 0.11 0.79 -0.04 0.00 0.43 0.00 0.00 52.55 53.84 1ywu s ASP 6 Cb -0.01 -1.27 0.02 0.00 -0.30 0.00 0.00 42.92 41.35 1ywu s ASP 6 CO -0.05 -2.17 0.08 -0.62 -0.17 0.00 0.00 175.17 172.24 1ywu n GLU 7 N -3.49 -1.97 -0.01 4.34 -0.58 -1.26 -5.03 120.64 112.64 1ywu n GLU 7 Ca 0.08 1.78 -0.00 0.00 -0.42 0.00 0.00 57.16 58.59 1ywu n GLU 7 Cb 0.60 -2.94 -0.03 0.00 -0.57 0.00 0.00 31.44 28.51 1ywu n GLU 7 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1ywu n ARG 8 N 0.64 2.15 -4.77 3.49 0.63 -1.26 -5.02 116.66 112.52 1ywu n ARG 8 Ca -0.13 -0.01 -0.33 0.00 -0.92 0.00 0.00 57.85 56.45 1ywu n ARG 8 Cb 0.21 -1.08 -0.12 0.00 0.45 0.00 0.00 32.46 31.92 1ywu n ARG 8 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 1ywu s ARG 9 N -2.14 2.57 -0.02 -0.14 1.70 -1.26 -5.00 118.95 114.66 1ywu s ARG 9 Ca -0.01 -0.66 0.15 0.00 -0.47 0.00 0.00 55.73 54.73 1ywu s ARG 9 Cb 0.01 -2.45 0.46 0.00 -0.57 0.00 0.00 34.95 32.40 1ywu s ARG 9 CO 0.13 0.63 1.36 2.89 -1.08 0.00 0.00 175.30 179.24 1ywu n ARG 10 N 2.21 2.35 -3.99 3.89 1.85 -1.26 -4.81 116.66 116.90 1ywu n ARG 10 Ca -0.17 -1.84 -0.35 0.00 -1.00 0.00 0.00 57.85 54.49 1ywu n ARG 10 Cb 0.52 -1.47 -0.14 0.00 -1.05 0.00 0.00 32.46 30.33 1ywu n ARG 10 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1ywu s PHE 11 N -1.45 2.98 0.13 2.89 0.08 -1.26 -4.97 117.98 116.39 1ywu s PHE 11 Ca 0.34 -0.75 0.00 0.00 0.12 0.00 0.00 56.93 56.63 1ywu s PHE 11 Cb 0.19 -2.09 0.00 0.00 -0.57 0.00 0.00 43.02 40.54 1ywu s PHE 11 CO 0.21 -0.43 0.00 0.72 -0.10 0.00 0.00 175.22 175.62 1ywu n HIS 12 N 4.59 -0.47 -4.05 0.36 8.25 -1.26 -5.01 115.22 117.63 1ywu n HIS 12 Ca -0.18 0.08 -0.09 0.00 -0.26 0.00 0.00 57.72 57.28 1ywu n HIS 12 Cb 0.51 0.11 -0.09 0.00 1.12 0.00 0.00 29.99 31.64 1ywu n HIS 12 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1ywu s ARG 13 N -2.00 0.91 -0.81 -0.41 1.81 -1.26 -5.03 118.95 112.15 1ywu s ARG 13 Ca 0.00 -1.25 -0.11 0.00 -1.72 0.00 0.00 55.73 52.65 1ywu s ARG 13 Cb 0.00 0.28 0.21 0.00 -0.45 0.00 0.00 34.95 35.00 1ywu s ARG 13 CO 0.00 -0.27 0.72 0.96 -0.68 0.00 0.00 175.30 176.03 1ywu s ILE 14 N -3.97 5.19 -0.33 1.52 -4.36 -1.26 -4.95 121.20 113.04 1ywu s ILE 14 Ca 0.16 -2.70 0.03 0.00 -0.26 0.00 0.00 60.65 57.88 1ywu s ILE 14 Cb 0.06 -4.23 0.10 0.00 1.25 0.00 0.00 42.46 39.64 1ywu s ILE 14 CO -0.03 -1.01 0.05 0.00 0.24 0.00 0.00 174.94 174.19 1ywu s ALA 15 N -0.05 2.74 0.34 2.27 0.00 -1.26 -4.46 121.76 121.33 1ywu s ALA 15 Ca 0.19 -2.42 -0.11 0.00 0.00 0.00 0.00 51.96 49.61 1ywu s ALA 15 Cb -0.12 -1.92 -0.07 0.00 0.00 0.00 0.00 23.12 21.00 1ywu s ALA 15 CO -0.08 -1.68 0.70 -0.06 0.00 0.00 0.00 175.76 174.65 1ywu s PHE 16 N 0.99 3.43 -1.39 0.00 0.08 -1.26 -4.95 117.98 114.87 1ywu s PHE 16 Ca 0.10 1.04 -0.12 0.00 0.12 0.00 0.00 56.93 58.07 1ywu s PHE 16 Cb -0.19 -2.42 -0.04 0.00 -0.57 0.00 0.00 43.02 39.80 1ywu s PHE 16 CO -0.10 0.05 2.47 -0.40 -0.10 0.00 0.00 175.22 177.14 1ywu n ASP 17 N -0.75 5.77 -4.43 1.36 5.75 -1.26 -4.89 116.55 118.09 1ywu n ASP 17 Ca 0.02 -2.66 -0.26 0.00 -0.01 0.00 0.00 54.79 51.88 1ywu n ASP 17 Cb 0.53 -1.50 -0.11 0.00 -1.03 0.00 0.00 41.12 39.01 1ywu n ASP 17 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ywu s ALA 18 N 3.01 2.55 -0.06 2.12 0.00 -1.26 -5.02 121.76 123.09 1ywu s ALA 18 Ca 0.56 -1.67 -0.27 0.00 0.00 0.00 0.00 51.96 50.58 1ywu s ALA 18 Cb 0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 1ywu s ALA 18 CO -0.05 0.40 0.85 -0.51 0.00 0.00 0.00 175.76 176.45 1ywu s ASP 19 N -2.79 7.14 -0.24 0.00 1.01 -1.13 -4.81 116.67 115.85 1ywu s ASP 19 Ca 0.22 1.39 0.02 0.00 0.71 0.00 0.00 52.55 54.89 1ywu s ASP 19 Cb -0.07 -2.49 0.05 0.00 1.01 0.00 0.00 42.92 41.42 1ywu s ASP 19 CO 0.10 -0.24 -0.12 -0.94 0.21 0.00 0.00 175.17 174.18 1ywu s SER 20 N 0.96 4.11 -0.08 0.27 1.04 -1.26 -0.80 113.70 117.94 1ywu s SER 20 Ca 0.44 -1.22 0.03 0.00 0.48 0.00 0.00 55.95 55.67 1ywu s SER 20 Cb -0.19 -1.48 -0.02 0.00 0.10 0.00 0.00 66.02 64.43 1ywu s SER 20 CO 0.21 -0.16 -0.15 -1.61 0.98 0.00 0.00 173.24 172.50 1ywu s GLU 21 N 1.18 2.82 -0.35 4.02 2.02 -0.66 -0.49 118.70 127.24 1ywu s GLU 21 Ca -0.06 -0.72 -0.11 0.00 0.02 0.00 0.00 54.97 54.10 1ywu s GLU 21 Cb -0.19 -2.44 0.01 0.00 0.10 0.00 0.00 34.13 31.61 1ywu s GLU 21 CO -0.07 0.44 0.21 0.42 0.02 0.00 0.00 175.26 176.28 1ywu s ILE 22 N -0.27 4.79 0.06 -1.63 1.01 0.47 -0.55 121.20 125.10 1ywu s ILE 22 Ca 0.01 -0.57 -0.07 0.00 0.00 0.00 0.00 60.65 60.02 1ywu s ILE 22 Cb -0.13 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 1ywu s ILE 22 CO 0.03 -0.10 0.34 -0.76 0.00 0.00 0.00 174.94 174.45 1ywu s LEU 23 N 1.62 4.34 -0.40 2.97 1.43 0.57 -0.36 118.68 128.85 1ywu s LEU 23 Ca 0.04 0.65 0.03 0.00 -1.03 0.00 0.00 54.13 53.82 1ywu s LEU 23 Cb -0.18 -2.93 0.16 0.00 0.03 0.00 0.00 46.19 43.27 1ywu s LEU 23 CO 0.08 0.18 0.36 -1.58 0.23 0.00 0.00 176.35 175.62 1ywu s GLN 24 N -2.02 0.79 3.26 1.70 -0.44 0.47 -1.03 119.66 122.40 1ywu s GLN 24 Ca 0.33 -1.57 0.00 0.00 -2.50 0.00 0.00 55.36 51.61 1ywu s GLN 24 Cb -0.13 -1.09 0.00 0.00 -1.64 0.00 0.00 33.01 30.14 1ywu s GLN 24 CO 0.19 -1.31 0.00 0.41 0.50 0.00 0.00 175.29 175.08 1ywu n GLY 25 N 3.40 0.53 0.14 2.59 0.00 -1.26 -2.06 105.19 108.52 1ywu n GLY 25 Ca 0.21 0.56 0.03 0.00 0.00 0.00 0.00 46.02 46.82 1ywu n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ywu h GLU 26 N 0.00 0.00 -5.99 1.61 4.57 -2.01 -3.47 114.58 109.29 1ywu h GLU 26 Ca 0.00 0.00 -0.61 0.00 -1.18 0.00 0.00 59.36 57.57 1ywu h GLU 26 Cb 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 28.46 1ywu h GLU 26 CO 0.00 0.42 -0.68 1.03 -1.18 0.00 0.00 179.01 178.60 1ywu s ARG 27 N -2.98 1.84 -0.12 1.92 0.52 -0.87 -5.14 118.95 114.12 1ywu s ARG 27 Ca 0.03 -1.88 -0.07 0.00 -0.52 0.00 0.00 55.73 53.29 1ywu s ARG 27 Cb 0.08 -1.75 0.04 0.00 0.52 0.00 0.00 34.95 33.84 1ywu s ARG 27 CO 0.75 0.17 0.29 -0.98 0.02 0.00 0.00 175.30 175.55 1ywu s ARG 28 N -3.61 0.28 -0.20 3.54 1.04 -1.26 -0.39 118.95 118.34 1ywu s ARG 28 Ca 0.32 0.53 -0.01 0.00 -1.04 0.00 0.00 55.73 55.54 1ywu s ARG 28 Cb 0.01 -0.02 0.01 0.00 -2.04 0.00 0.00 34.95 32.91 1ywu s ARG 28 CO 0.17 -0.12 -0.13 -1.58 -0.04 0.00 0.00 175.30 173.59 1ywu s TRP 29 N 0.94 2.89 -0.09 5.89 0.51 0.51 -4.92 118.94 124.67 1ywu s TRP 29 Ca -0.06 -1.42 -0.30 0.00 -2.12 0.00 0.00 56.10 52.20 1ywu s TRP 29 Cb -0.07 -2.00 -0.03 0.00 -0.81 0.00 0.00 33.47 30.55 1ywu s TRP 29 CO -0.07 -0.71 1.32 -1.21 -0.51 0.00 0.00 176.95 175.77 1ywu s GLU 30 N 1.35 4.27 0.31 4.98 2.02 -1.26 -0.39 118.70 129.98 1ywu s GLU 30 Ca 0.04 1.79 0.10 0.00 0.02 0.00 0.00 54.97 56.92 1ywu s GLU 30 Cb -0.14 -3.69 -0.06 0.00 0.10 0.00 0.00 34.13 30.34 1ywu s GLU 30 CO -0.09 -0.62 -0.13 0.54 0.02 0.00 0.00 175.26 174.98 1ywu s VAL 31 N 2.97 2.26 -0.20 2.63 0.11 0.36 -4.96 120.40 123.55 1ywu s VAL 31 Ca 0.59 -2.28 -0.21 0.00 -2.93 0.00 0.00 61.98 57.15 1ywu s VAL 31 Cb -0.26 -2.47 -0.02 0.00 -1.53 0.00 0.00 36.38 32.10 1ywu s VAL 31 CO 0.21 -0.30 0.66 -0.76 -3.33 0.00 0.00 175.10 171.58 1ywu s LEU 32 N -3.54 4.13 0.45 2.54 1.02 -1.00 -4.20 118.68 118.09 1ywu s LEU 32 Ca 0.31 0.86 -0.23 0.00 0.02 0.00 0.00 54.13 55.09 1ywu s LEU 32 Cb -0.00 -2.94 -0.08 0.00 0.02 0.00 0.00 46.19 43.19 1ywu s LEU 32 CO 0.15 -0.31 1.14 -0.22 0.02 0.00 0.00 176.35 177.13 1ywu s LEU 33 N 2.06 4.02 0.20 1.79 2.96 -1.26 -1.18 118.68 127.27 1ywu s LEU 33 Ca 0.30 2.25 0.00 0.00 -0.22 0.00 0.00 54.13 56.46 1ywu s LEU 33 Cb -0.16 -4.25 0.00 0.00 0.50 0.00 0.00 46.19 42.29 1ywu s LEU 33 CO 0.10 -0.85 0.00 1.41 -1.32 0.00 0.00 176.35 175.69 1ywu n HIS 34 N -0.44 -1.59 -3.75 5.38 8.25 -1.19 -4.86 115.22 117.01 1ywu n HIS 34 Ca 0.07 0.28 -0.13 0.00 -0.26 0.00 0.00 57.72 57.68 1ywu n HIS 34 Cb 0.48 0.45 -0.10 0.00 1.12 0.00 0.00 29.99 31.94 1ywu n HIS 34 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1ywu s ASP 35 N -5.17 -0.31 -0.00 0.41 2.15 -1.00 -4.54 116.67 108.20 1ywu s ASP 35 Ca 0.00 0.52 -0.13 0.00 0.43 0.00 0.00 52.55 53.37 1ywu s ASP 35 Cb 0.00 0.59 0.02 0.00 -0.30 0.00 0.00 42.92 43.23 1ywu s ASP 35 CO 0.00 -0.22 0.26 0.54 -0.17 0.00 0.00 175.17 175.58 1ywu s VAL 36 N -0.27 0.07 0.00 1.11 0.11 -1.26 -0.69 120.40 119.46 1ywu s VAL 36 Ca -0.04 -0.56 0.00 0.00 -2.93 0.00 0.00 61.98 58.45 1ywu s VAL 36 Cb -0.03 -0.59 0.00 0.00 -1.53 0.00 0.00 36.38 34.22 1ywu s VAL 36 CO 0.02 -0.31 0.00 -0.24 -3.33 0.00 0.00 175.10 171.24 1ywu n SER 37 N 1.26 0.00 -0.55 3.54 2.88 -0.58 -4.92 113.62 115.24 1ywu n SER 37 Ca -0.22 -0.40 0.06 0.00 -1.33 0.00 0.00 58.87 56.98 1ywu n SER 37 Cb 0.56 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.21 1ywu n SER 37 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ywu n LEU 38 N 0.00 1.59 -0.00 2.46 4.77 -1.26 -2.95 117.00 121.61 1ywu n LEU 38 Ca 0.00 -0.77 0.06 0.00 -0.03 0.00 0.00 56.01 55.26 1ywu n LEU 38 Cb 0.00 -0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 40.84 1ywu n LEU 38 CO 0.00 0.39 -0.19 1.41 -1.33 0.00 0.00 177.39 177.66 1ywu n HIS 39 N 0.35 0.00 0.00 -1.77 -0.00 -1.26 -4.82 115.22 107.72 1ywu n HIS 39 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.83 1ywu n HIS 39 Cb 0.26 -0.07 0.00 0.00 -0.00 0.00 0.00 29.99 30.18 1ywu n HIS 39 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ywu n GLY 40 N 1.42 0.45 3.60 -1.41 0.00 -1.15 -1.91 105.19 106.19 1ywu n GLY 40 Ca 0.01 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 1ywu n GLY 40 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ywu s ILE 41 N -4.00 0.00 -0.24 -0.61 2.07 -0.64 -1.53 121.20 116.25 1ywu s ILE 41 Ca 0.00 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1ywu s ILE 41 Cb 0.00 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.62 1ywu s ILE 41 CO 0.00 0.00 -0.09 -0.22 -1.91 0.00 0.00 174.94 172.72 1ywu s LEU 42 N -0.33 3.04 0.50 8.50 2.96 0.13 -0.44 118.68 133.04 1ywu s LEU 42 Ca -0.01 -0.92 0.02 0.00 -0.22 0.00 0.00 54.13 53.01 1ywu s LEU 42 Cb -0.03 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 1ywu s LEU 42 CO -0.00 -0.11 0.03 0.68 -1.32 0.00 0.00 176.35 175.63 1ywu s VAL 43 N 1.28 1.34 -0.06 1.68 -7.23 -0.62 -2.38 120.40 114.41 1ywu s VAL 43 Ca -0.00 -1.96 -0.01 0.00 -1.81 0.00 0.00 61.98 58.19 1ywu s VAL 43 Cb -0.17 -2.30 0.03 0.00 0.56 0.00 0.00 36.38 34.50 1ywu s VAL 43 CO -0.06 0.00 0.01 -0.83 -0.31 0.00 0.00 175.10 173.91 1ywu s GLY 44 N -3.88 0.39 0.38 2.32 0.00 -0.32 -0.49 107.32 105.72 1ywu s GLY 44 Ca 0.13 -0.02 0.08 0.00 0.00 0.00 0.00 44.72 44.90 1ywu s GLY 44 CO 0.07 1.10 0.03 1.20 0.00 0.00 0.00 173.10 175.49 1ywu s GLN 45 N 1.85 2.02 0.04 2.90 -0.21 -0.00 -2.37 119.66 123.89 1ywu s GLN 45 Ca 0.03 -1.93 -0.22 0.00 0.02 0.00 0.00 55.36 53.25 1ywu s GLN 45 Cb -0.12 -1.80 -0.12 0.00 1.00 0.00 0.00 33.01 31.96 1ywu s GLN 45 CO -0.04 0.02 1.34 -1.35 -2.12 0.00 0.00 175.29 173.14 1ywu h PRO 46 N 1.76 -0.78 0.00 2.91 0.11 -1.93 -3.39 132.00 130.68 1ywu h PRO 46 Ca -0.43 0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.75 1ywu h PRO 46 Cb 1.25 0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.53 1ywu h PRO 46 CO 0.73 -0.52 0.07 1.04 -0.21 0.00 0.00 178.00 179.11 1ywu n GLN 47 N -4.17 0.04 -0.21 1.05 6.02 -1.26 -4.30 117.38 114.55 1ywu n GLN 47 Ca -0.10 -0.11 0.01 0.00 -0.01 0.00 0.00 57.00 56.78 1ywu n GLN 47 Cb 0.32 0.16 -0.00 0.00 1.02 0.00 0.00 30.24 31.74 1ywu n GLN 47 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1ywu n ASP 48 N -0.50 -1.15 -1.40 1.08 8.00 -1.26 -5.10 116.55 116.22 1ywu n ASP 48 Ca 0.00 0.25 -0.03 0.00 0.71 0.00 0.00 54.79 55.72 1ywu n ASP 48 Cb 0.05 -0.07 -0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1ywu n ASP 48 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1ywu n TRP 49 N -1.84 -0.90 -0.26 1.24 5.03 -1.26 -5.04 117.44 114.41 1ywu n TRP 49 Ca -0.00 -0.45 -0.07 0.00 3.03 0.00 0.00 57.50 60.01 1ywu n TRP 49 Cb 0.07 0.15 0.05 0.00 -1.03 0.00 0.00 31.31 30.55 1ywu n TRP 49 CO 0.00 0.00 0.00 -2.95 -0.03 0.00 0.00 177.69 174.71 1ywu h ASN 50 N 0.41 1.03 0.00 -0.99 -1.07 -2.00 -3.47 115.58 109.50 1ywu h ASN 50 Ca -0.06 -0.21 0.00 0.00 0.07 0.00 0.00 56.30 56.10 1ywu h ASN 50 Cb 0.25 -0.27 0.00 0.00 -2.07 0.00 0.00 38.32 36.23 1ywu h ASN 50 CO 0.08 0.96 0.00 0.61 0.07 0.00 0.00 177.43 179.16 1ywu n GLY 51 N -0.75 1.98 3.07 9.14 0.00 -1.26 -5.14 105.19 112.23 1ywu n GLY 51 Ca 0.05 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 1ywu n GLY 51 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ywu s ASP 52 N 0.00 0.20 -0.08 1.61 1.47 -1.26 -5.05 116.67 113.57 1ywu s ASP 52 Ca 0.00 -0.51 0.04 0.00 1.18 0.00 0.00 52.55 53.25 1ywu s ASP 52 Cb 0.00 0.18 0.24 0.00 -0.34 0.00 0.00 42.92 43.00 1ywu s ASP 52 CO 0.00 -0.43 0.91 -0.81 0.68 0.00 0.00 175.17 175.52 1ywu n PRO 53 N 1.07 2.09 0.00 2.11 -0.04 -1.26 -3.46 135.00 135.51 1ywu n PRO 53 Ca -0.21 -0.93 0.12 0.00 -0.04 0.00 0.00 63.50 62.45 1ywu n PRO 53 Cb 0.57 -1.69 0.25 0.00 -0.04 0.00 0.00 33.50 32.59 1ywu n PRO 53 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1ywu n GLN 54 N 0.17 1.24 -3.18 0.54 7.27 -1.26 -4.77 117.38 117.40 1ywu n GLN 54 Ca 0.09 -0.88 -0.42 0.00 0.07 0.00 0.00 57.00 55.86 1ywu n GLN 54 Cb 0.56 -1.48 -0.07 0.00 2.41 0.00 0.00 30.24 31.66 1ywu n GLN 54 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1ywu s ARG 55 N -2.36 3.44 0.34 3.69 3.00 -1.22 -5.04 118.95 120.79 1ywu s ARG 55 Ca 0.25 -0.28 -0.28 0.00 0.00 0.00 0.00 55.73 55.41 1ywu s ARG 55 Cb 0.19 -3.88 -0.12 0.00 0.00 0.00 0.00 34.95 31.14 1ywu s ARG 55 CO 0.48 -0.82 1.33 -2.30 0.00 0.00 0.00 175.30 174.00 1ywu n PRO 56 N 5.96 2.23 -4.25 3.54 -0.02 -1.26 -4.82 135.00 136.37 1ywu n PRO 56 Ca -0.03 0.78 -0.24 0.00 -2.02 0.00 0.00 63.50 61.99 1ywu n PRO 56 Cb 0.48 -2.40 -0.07 0.00 -0.02 0.00 0.00 33.50 31.49 1ywu n PRO 56 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1ywu s PHE 57 N -1.03 2.77 -0.04 6.00 0.40 -0.53 -4.70 117.98 120.85 1ywu s PHE 57 Ca 0.56 -0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.71 1ywu s PHE 57 Cb -0.55 -1.27 0.02 0.00 0.51 0.00 0.00 43.02 41.72 1ywu s PHE 57 CO 0.62 0.57 -0.05 -1.21 0.70 0.00 0.00 175.22 175.86 1ywu s GLU 58 N -3.42 0.82 -0.25 0.44 2.02 -0.20 -0.41 118.70 117.72 1ywu s GLU 58 Ca 0.30 -0.11 -0.13 0.00 0.02 0.00 0.00 54.97 55.04 1ywu s GLU 58 Cb -0.08 -0.82 -0.04 0.00 0.10 0.00 0.00 34.13 33.29 1ywu s GLU 58 CO 0.20 -0.07 0.29 0.00 0.02 0.00 0.00 175.26 175.70 1ywu s ALA 59 N 0.86 3.57 -0.35 5.21 0.00 0.23 -0.32 121.76 130.97 1ywu s ALA 59 Ca -0.12 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 1ywu s ALA 59 Cb -0.14 -2.54 0.08 0.00 0.00 0.00 0.00 23.12 20.51 1ywu s ALA 59 CO 0.00 -0.42 0.08 0.50 0.00 0.00 0.00 175.76 175.93 1ywu s ARG 60 N 1.54 2.18 -0.20 0.00 3.52 0.29 -1.58 118.95 124.70 1ywu s ARG 60 Ca 0.13 -1.54 -0.07 0.00 -0.13 0.00 0.00 55.73 54.11 1ywu s ARG 60 Cb -0.15 -3.34 -0.04 0.00 -1.56 0.00 0.00 34.95 29.86 1ywu s ARG 60 CO 0.08 -0.83 0.07 -0.51 -0.81 0.00 0.00 175.30 173.30 1ywu s LEU 61 N 1.18 3.76 -0.37 -0.88 1.43 0.48 -1.66 118.68 122.63 1ywu s LEU 61 Ca 0.02 0.03 -0.15 0.00 -1.03 0.00 0.00 54.13 53.00 1ywu s LEU 61 Cb -0.21 -1.96 -0.00 0.00 0.03 0.00 0.00 46.19 44.05 1ywu s LEU 61 CO -0.03 0.13 0.31 -0.31 0.23 0.00 0.00 176.35 176.68 1ywu s TYR 62 N 0.61 3.22 -0.90 0.29 1.51 0.02 -0.50 117.35 121.60 1ywu s TYR 62 Ca 0.03 -0.31 0.08 0.00 -1.01 0.00 0.00 57.07 55.87 1ywu s TYR 62 Cb -0.13 -2.60 0.10 0.00 -0.11 0.00 0.00 41.96 39.22 1ywu s TYR 62 CO 0.01 -0.49 0.86 1.28 -1.11 0.00 0.00 175.55 176.11 1ywu n LEU 63 N 5.24 1.92 0.00 -1.29 7.99 -0.39 -2.82 117.00 127.66 1ywu n LEU 63 Ca -0.11 -1.26 0.00 0.00 -0.01 0.00 0.00 56.01 54.63 1ywu n LEU 63 Cb 0.49 -0.04 0.00 0.00 -0.11 0.00 0.00 43.42 43.75 1ywu n LEU 63 CO 0.40 0.42 0.00 0.61 -1.51 0.00 0.00 177.39 177.31 1ywu n GLY 64 N 0.39 -1.33 0.24 -0.72 0.00 -0.99 -4.81 105.19 97.97 1ywu n GLY 64 Ca 0.06 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 1ywu n GLY 64 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ywu h LEU 65 N 0.00 0.83 0.00 0.99 4.07 -2.02 -3.33 115.31 115.86 1ywu h LEU 65 Ca 0.00 -0.39 -0.36 0.00 0.08 0.00 0.00 57.88 57.21 1ywu h LEU 65 Cb 0.00 -0.23 -0.07 0.00 1.08 0.00 0.00 40.66 41.44 1ywu h LEU 65 CO 0.00 1.03 -2.37 -0.67 -1.08 0.00 0.00 178.44 175.35 1ywu n ASP 66 N -4.27 0.91 -4.55 -0.43 2.03 -1.26 -4.88 116.55 104.10 1ywu n ASP 66 Ca -0.01 -0.05 -0.33 0.00 0.52 0.00 0.00 54.79 54.92 1ywu n ASP 66 Cb 0.40 0.45 -0.04 0.00 -0.72 0.00 0.00 41.12 41.22 1ywu n ASP 66 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1ywu s VAL 67 N -2.48 3.29 -0.15 5.18 1.01 -1.25 -4.91 120.40 121.08 1ywu s VAL 67 Ca -0.19 -0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1ywu s VAL 67 Cb 0.07 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.74 1ywu s VAL 67 CO 0.71 -0.70 -0.19 -0.22 0.00 0.00 0.00 175.10 174.71 1ywu s LEU 68 N 10.37 1.96 -0.45 3.92 2.96 -1.26 -1.26 118.68 134.92 1ywu s LEU 68 Ca 0.75 -0.57 -0.15 0.00 -0.22 0.00 0.00 54.13 53.94 1ywu s LEU 68 Cb -0.12 -1.34 0.06 0.00 0.50 0.00 0.00 46.19 45.28 1ywu s LEU 68 CO 0.15 0.01 0.37 -0.63 -1.32 0.00 0.00 176.35 174.93 1ywu s ILE 69 N 1.15 5.23 -0.18 6.68 1.01 0.34 -4.57 121.20 130.86 1ywu s ILE 69 Ca -0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.67 1ywu s ILE 69 Cb -0.14 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 1ywu s ILE 69 CO -0.07 -0.50 0.01 0.00 0.00 0.00 0.00 174.94 174.37 1ywu s ARG 70 N 1.68 3.73 -0.07 2.79 1.70 -1.26 -0.38 118.95 127.14 1ywu s ARG 70 Ca 0.05 -0.47 -0.03 0.00 -0.47 0.00 0.00 55.73 54.80 1ywu s ARG 70 Cb -0.23 -3.06 0.04 0.00 -0.57 0.00 0.00 34.95 31.13 1ywu s ARG 70 CO 0.08 0.15 0.14 0.00 -1.08 0.00 0.00 175.30 174.59 1ywu s MET 71 N 0.64 0.02 0.02 3.89 0.23 -0.61 -2.90 119.30 120.58 1ywu s MET 71 Ca -0.00 0.48 -0.30 0.00 -1.03 0.00 0.00 55.69 54.83 1ywu s MET 71 Cb -0.14 -0.29 -0.06 0.00 -1.53 0.00 0.00 34.83 32.82 1ywu s MET 71 CO 0.02 -0.27 1.37 -2.00 -2.03 0.00 0.00 175.02 172.10 1ywu s GLU 72 N 1.97 4.31 0.08 3.16 2.12 0.49 -0.60 118.70 130.22 1ywu s GLU 72 Ca 0.00 1.94 0.04 0.00 0.36 0.00 0.00 54.97 57.32 1ywu s GLU 72 Cb -0.12 -3.51 -0.03 0.00 0.26 0.00 0.00 34.13 30.73 1ywu s GLU 72 CO -0.05 -0.52 -0.12 0.96 -0.54 0.00 0.00 175.26 174.99 1ywu s ILE 73 N 2.09 0.97 -0.07 -3.70 -4.36 0.46 0.14 121.20 116.72 1ywu s ILE 73 Ca 0.63 -1.37 0.01 0.00 -0.26 0.00 0.00 60.65 59.66 1ywu s ILE 73 Cb -0.31 -1.08 -0.03 0.00 1.25 0.00 0.00 42.46 42.29 1ywu s ILE 73 CO 0.27 -0.35 -0.10 -0.94 0.24 0.00 0.00 174.94 174.05 1ywu s SER 74 N -1.93 4.35 -0.59 4.36 1.04 0.44 -1.45 113.70 119.92 1ywu s SER 74 Ca -0.01 -0.13 -0.27 0.00 0.48 0.00 0.00 55.95 56.02 1ywu s SER 74 Cb -0.08 -1.14 0.01 0.00 0.10 0.00 0.00 66.02 64.91 1ywu s SER 74 CO 0.01 0.32 1.53 -0.22 0.98 0.00 0.00 173.24 175.87 1ywu s LEU 75 N -0.57 3.34 -0.11 2.42 2.96 -1.26 -0.37 118.68 125.09 1ywu s LEU 75 Ca 0.08 0.23 -0.18 0.00 -0.22 0.00 0.00 54.13 54.05 1ywu s LEU 75 Cb -0.12 -2.86 -0.27 0.00 0.50 0.00 0.00 46.19 43.45 1ywu s LEU 75 CO 0.02 -1.91 0.58 0.00 -1.32 0.00 0.00 176.35 173.72 1ywu h ALA 76 N 12.01 0.14 -2.52 5.97 0.00 -1.52 -3.48 119.26 129.86 1ywu h ALA 76 Ca -0.27 -1.01 -0.11 0.00 0.00 0.00 0.00 54.91 53.52 1ywu h ALA 76 Cb 1.11 0.42 -0.21 0.00 0.00 0.00 0.00 17.79 19.11 1ywu h ALA 76 CO 1.20 0.70 -0.20 1.67 0.00 0.00 0.00 179.25 182.62 1ywu s TRP 77 N -2.44 -0.32 -0.32 0.00 1.48 -0.90 -5.04 118.94 111.39 1ywu s TRP 77 Ca -0.20 0.63 -0.00 0.00 -1.06 0.00 0.00 56.10 55.47 1ywu s TRP 77 Cb 0.04 0.15 0.10 0.00 -1.16 0.00 0.00 33.47 32.60 1ywu s TRP 77 CO 0.75 -0.37 0.11 0.00 -4.06 0.00 0.00 176.95 173.38 1ywu s ALA 78 N -0.84 1.64 -1.41 2.67 0.00 -1.26 -0.57 121.76 121.99 1ywu s ALA 78 Ca -0.09 -1.79 -0.11 0.00 0.00 0.00 0.00 51.96 49.97 1ywu s ALA 78 Cb -0.04 -1.66 0.07 0.00 0.00 0.00 0.00 23.12 21.49 1ywu s ALA 78 CO 0.04 -1.70 2.24 -2.13 0.00 0.00 0.00 175.76 174.20 1ywu n ARG 79 N 4.71 3.39 0.00 0.00 3.00 0.52 -4.85 116.66 123.43 1ywu n ARG 79 Ca -0.01 -2.92 0.00 0.00 -0.00 0.00 0.00 57.85 54.92 1ywu n ARG 79 Cb 0.41 -3.04 0.00 0.00 0.00 0.00 0.00 32.46 29.84 1ywu n ARG 79 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1ywu n ASP 80 N 4.59 0.00 -0.01 6.15 2.03 -1.26 -1.52 116.55 126.53 1ywu n ASP 80 Ca 0.53 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.90 1ywu n ASP 80 Cb 0.34 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.60 1ywu n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ywu n GLY 81 N 0.00 -1.07 3.59 0.27 0.00 -1.26 -4.71 105.19 102.02 1ywu n GLY 81 Ca 0.00 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 1ywu n GLY 81 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ywu s LEU 82 N -4.89 4.01 -0.34 0.99 1.43 -0.58 -0.82 118.68 118.48 1ywu s LEU 82 Ca -0.07 0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 53.42 1ywu s LEU 82 Cb 0.12 -3.23 0.03 0.00 0.03 0.00 0.00 46.19 43.15 1ywu s LEU 82 CO 0.87 -0.88 0.11 -0.76 0.23 0.00 0.00 176.35 175.93 1ywu s LEU 83 N 3.49 4.32 -0.32 1.79 1.43 0.36 -0.36 118.68 129.40 1ywu s LEU 83 Ca 0.37 -1.08 -0.13 0.00 -1.03 0.00 0.00 54.13 52.27 1ywu s LEU 83 Cb -0.12 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1ywu s LEU 83 CO 0.20 -0.32 0.25 -0.83 0.23 0.00 0.00 176.35 175.88 1ywu s GLY 84 N 1.43 1.94 0.04 -3.19 0.00 0.26 -1.59 107.32 106.21 1ywu s GLY 84 Ca -0.01 -1.23 0.03 0.00 0.00 0.00 0.00 44.72 43.52 1ywu s GLY 84 CO 0.03 0.78 -0.02 -1.36 0.00 0.00 0.00 173.10 172.54 1ywu s PHE 85 N 1.80 2.98 0.06 1.90 0.40 0.42 -1.28 117.98 124.26 1ywu s PHE 85 Ca 0.08 0.00 0.02 0.00 -0.60 0.00 0.00 56.93 56.43 1ywu s PHE 85 Cb -0.17 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 41.73 1ywu s PHE 85 CO 0.11 0.45 0.11 -2.00 0.70 0.00 0.00 175.22 174.58 1ywu s GLU 86 N -1.84 3.03 -0.21 0.44 2.12 0.51 -1.62 118.70 121.13 1ywu s GLU 86 Ca 0.21 -0.60 -0.29 0.00 0.36 0.00 0.00 54.97 54.65 1ywu s GLU 86 Cb -0.11 -2.82 0.00 0.00 0.26 0.00 0.00 34.13 31.46 1ywu s GLU 86 CO 0.13 0.59 1.11 0.00 -0.54 0.00 0.00 175.26 176.55 1ywu n GLN 88 N 6.45 0.68 -3.15 0.00 6.02 0.12 -4.90 117.38 122.60 1ywu n GLN 88 Ca 0.13 0.16 0.05 0.00 -0.01 0.00 0.00 57.00 57.32 1ywu n GLN 88 Cb 0.46 -1.61 -0.00 0.00 1.02 0.00 0.00 30.24 30.11 1ywu n GLN 88 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1ywu s HIS 89 N -2.53 -1.17 -0.24 1.08 5.04 -0.67 -4.97 115.29 111.83 1ywu s HIS 89 Ca -0.21 0.71 -0.20 0.00 -1.54 0.00 0.00 55.06 53.82 1ywu s HIS 89 Cb 0.08 0.21 -0.02 0.00 0.04 0.00 0.00 32.58 32.88 1ywu s HIS 89 CO 0.73 -0.68 0.61 0.42 -2.34 0.00 0.00 174.74 173.49 1ywu s ILE 90 N 2.89 5.01 0.59 0.89 1.01 -1.26 -0.38 121.20 129.95 1ywu s ILE 90 Ca 0.18 1.11 -0.19 0.00 0.00 0.00 0.00 60.65 61.76 1ywu s ILE 90 Cb -0.06 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 1ywu s ILE 90 CO -0.24 0.06 1.18 -0.62 0.00 0.00 0.00 174.94 175.32 1ywu s ASP 91 N 1.39 5.31 0.25 3.58 -1.08 -1.14 -4.83 116.67 120.15 1ywu s ASP 91 Ca 0.26 2.30 -0.05 0.00 -0.52 0.00 0.00 52.55 54.55 1ywu s ASP 91 Cb -0.16 -2.59 0.29 0.00 -1.46 0.00 0.00 42.92 39.01 1ywu s ASP 91 CO 0.09 -1.51 1.87 -0.07 0.52 0.00 0.00 175.17 176.07 1ywu h LEU 92 N 0.89 1.02 -0.53 -1.34 3.38 -1.96 0.01 115.31 116.78 1ywu h LEU 92 Ca -0.50 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.27 1ywu h LEU 92 Cb 1.28 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1ywu h LEU 92 CO 0.55 0.84 -0.05 -0.78 0.09 0.00 0.00 178.44 179.09 1ywu h ASP 93 N 1.14 0.96 -0.29 -0.43 1.82 -1.95 -0.18 116.42 117.48 1ywu h ASP 93 Ca 0.28 -0.33 0.01 0.00 -0.39 0.00 0.00 57.03 56.61 1ywu h ASP 93 Cb 0.06 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 39.79 1ywu h ASP 93 CO -0.04 1.06 0.16 0.28 -1.61 0.00 0.00 179.24 179.09 1ywu h SER 94 N 0.84 0.26 -0.63 2.28 0.02 -1.65 -0.64 113.55 114.03 1ywu h SER 94 Ca 0.14 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1ywu h SER 94 Cb 0.60 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 1ywu h SER 94 CO 0.04 0.19 0.40 0.40 -1.14 0.00 0.00 176.83 176.72 1ywu h ILE 95 N 0.34 1.17 -0.55 3.27 2.04 -0.74 0.72 117.51 123.76 1ywu h ILE 95 Ca 0.12 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.66 1ywu h ILE 95 Cb 0.01 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.32 1ywu h ILE 95 CO -0.06 0.17 0.34 0.28 0.00 0.00 0.00 178.15 178.88 1ywu h SER 96 N 0.85 0.57 -0.22 1.72 0.02 -0.63 0.80 113.55 116.66 1ywu h SER 96 Ca 0.23 -0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.03 1ywu h SER 96 Cb -0.07 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1ywu h SER 96 CO -0.05 0.40 -0.40 0.45 -1.14 0.00 0.00 176.83 176.10 1ywu h HIS 97 N 0.68 0.91 -0.48 3.45 3.86 -0.75 -2.69 115.15 120.14 1ywu h HIS 97 Ca 0.21 -0.27 -0.08 0.00 -1.16 0.00 0.00 60.37 59.07 1ywu h HIS 97 Cb -0.02 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.24 1ywu h HIS 97 CO -0.05 1.04 -0.02 1.25 0.86 0.00 0.00 177.93 181.00 1ywu h LEU 98 N 0.62 0.85 -0.60 2.43 5.85 -0.42 0.14 115.31 124.19 1ywu h LEU 98 Ca 0.05 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1ywu h LEU 98 Cb 0.95 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1ywu h LEU 98 CO 0.09 0.97 0.39 -0.09 -0.34 0.00 0.00 178.44 179.45 1ywu h ARG 99 N 0.72 0.80 -0.53 1.25 2.43 -0.81 -0.38 114.38 117.86 1ywu h ARG 99 Ca 0.13 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.13 1ywu h ARG 99 Cb 0.54 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1ywu h ARG 99 CO 0.03 0.54 -0.13 -0.09 -1.51 0.00 0.00 179.97 178.81 1ywu h ARG 100 N 0.81 1.01 -0.34 0.20 9.65 -1.31 -2.04 114.38 122.36 1ywu h ARG 100 Ca 0.22 -0.39 -0.01 0.00 -1.10 0.00 0.00 59.98 58.71 1ywu h ARG 100 Cb -0.07 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.43 1ywu h ARG 100 CO -0.05 1.07 0.19 1.25 2.80 0.00 0.00 179.97 185.24 1ywu h LEU 101 N 0.90 0.42 -0.87 3.80 5.85 -0.07 0.14 115.31 125.48 1ywu h LEU 101 Ca 0.13 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1ywu h LEU 101 Cb 0.70 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1ywu h LEU 101 CO 0.05 0.38 -0.09 0.58 -0.34 0.00 0.00 178.44 179.02 1ywu h VAL 102 N 0.43 1.25 -0.98 1.05 2.07 -1.09 -2.53 116.25 116.45 1ywu h VAL 102 Ca 0.12 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.54 1ywu h VAL 102 Cb 0.04 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 1ywu h VAL 102 CO -0.02 0.38 0.65 -0.08 0.02 0.00 0.00 177.57 178.52 1ywu h GLU 103 N 0.67 1.26 0.00 1.57 4.81 -0.61 0.30 114.58 122.59 1ywu h GLU 103 Ca 0.12 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1ywu h GLU 103 Cb 0.55 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1ywu h GLU 103 CO 0.03 0.84 0.00 1.28 -0.73 0.00 0.00 179.01 180.43 1ywu n LEU 104 N -4.42 0.00 -0.07 1.64 4.77 0.43 -2.88 117.00 116.47 1ywu n LEU 104 Ca 0.12 0.44 -0.07 0.00 -0.03 0.00 0.00 56.01 56.47 1ywu n LEU 104 Cb 0.03 -0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 40.58 1ywu n LEU 104 CO 0.36 -0.14 -0.94 0.59 -1.33 0.00 0.00 177.39 175.93 1ywu n ASN 105 N -1.44 1.75 -1.35 -1.43 3.02 -0.50 -4.99 115.26 110.32 1ywu n ASN 105 Ca 0.06 -0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.43 1ywu n ASN 105 Cb 0.21 0.79 -0.08 0.00 -0.61 0.00 0.00 39.78 40.10 1ywu n ASN 105 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ywu n LEU 106 N -2.51 -1.26 -2.76 3.41 4.77 0.95 -4.87 117.00 114.74 1ywu n LEU 106 Ca -0.22 0.44 -0.29 0.00 -0.03 0.00 0.00 56.01 55.91 1ywu n LEU 106 Cb 0.93 -2.55 -0.06 0.00 -2.33 0.00 0.00 43.42 39.41 1ywu n LEU 106 CO 0.28 -0.95 2.00 0.61 -1.33 0.00 0.00 177.39 178.00 1ywu n GLY 107 N -0.71 4.34 2.09 -0.72 0.00 -1.25 -4.83 105.19 104.11 1ywu n GLY 107 Ca -0.18 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1ywu n GLY 107 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ywu n ASP 108 N 1.66 -8.29 0.19 1.61 8.00 -1.26 -4.64 116.55 113.82 1ywu n ASP 108 Ca 0.55 1.51 0.14 0.00 0.71 0.00 0.00 54.79 57.69 1ywu n ASP 108 Cb 0.50 -4.51 0.48 0.00 -0.02 0.00 0.00 41.12 37.56 1ywu n ASP 108 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1ywu h GLU 109 N 3.57 0.00 0.00 -1.24 9.09 -1.91 -2.93 114.58 121.16 1ywu h GLU 109 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 1ywu h GLU 109 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1ywu h GLU 109 CO 0.00 0.00 -0.10 1.49 0.05 0.00 0.00 179.01 180.45 1ywu h GLU 110 N 0.00 0.00 0.00 1.06 4.81 -1.99 -1.41 114.58 117.05 1ywu h GLU 110 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ywu h GLU 110 Cb 0.61 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 1ywu h GLU 110 CO 0.00 0.10 -0.02 -0.07 -0.73 0.00 0.00 179.01 178.30 1ywu h LEU 111 N 0.00 0.00 0.00 1.64 3.38 -1.80 -0.93 115.31 117.60 1ywu h LEU 111 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ywu h LEU 111 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ywu h LEU 111 CO 0.01 0.02 0.00 0.18 0.09 0.00 0.00 178.44 178.74 1ywu n LEU 112 N -3.17 0.00 -0.84 1.67 4.77 -0.53 -3.14 117.00 115.76 1ywu n LEU 112 Ca -0.01 0.41 0.03 0.00 -0.03 0.00 0.00 56.01 56.41 1ywu n LEU 112 Cb 0.20 -0.41 0.17 0.00 -2.33 0.00 0.00 43.42 41.06 1ywu n LEU 112 CO 0.25 -0.10 0.31 -0.62 -1.33 0.00 0.00 177.39 175.90 1ywu n GLU 113 N -1.41 1.58 0.00 3.23 1.02 -0.35 -4.08 120.64 120.63 1ywu n GLU 113 Ca 0.08 -3.24 0.00 0.00 -0.02 0.00 0.00 57.16 53.98 1ywu n GLU 113 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 1ywu n GLU 113 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ywu n ARG 114 N -0.90 1.68 -4.35 3.49 1.74 -1.19 -5.10 116.66 112.03 1ywu n ARG 114 Ca 0.19 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 57.02 1ywu n ARG 114 Cb 0.76 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 32.11 1ywu n ARG 114 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1ywu s GLU 115 N 0.81 1.94 0.28 5.56 -6.30 -1.26 -4.95 118.70 114.78 1ywu s GLU 115 Ca 0.00 -1.46 0.01 0.00 -2.50 0.00 0.00 54.97 51.02 1ywu s GLU 115 Cb 0.00 -2.02 0.53 0.00 0.00 0.00 0.00 34.13 32.64 1ywu s GLU 115 CO 0.00 0.39 1.84 1.25 0.02 0.00 0.00 175.26 178.76 1ywu h LEU 116 N 2.57 0.94 -1.00 2.70 5.85 -1.95 0.16 115.31 124.59 1ywu h LEU 116 Ca -0.45 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1ywu h LEU 116 Cb 1.23 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1ywu h LEU 116 CO 0.56 0.51 0.00 0.00 -0.34 0.00 0.00 178.44 179.17 1ywu h ALA 117 N 1.53 1.00 0.00 1.25 0.00 -2.00 -1.23 119.26 119.81 1ywu h ALA 117 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1ywu h ALA 117 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ywu h ALA 117 CO -0.25 0.00 -0.54 1.28 0.00 0.00 0.00 179.25 179.73 1ywu n LEU 118 N -2.50 0.72 -4.50 0.00 4.77 0.53 -4.47 117.00 111.56 1ywu n LEU 118 Ca 0.01 0.28 -0.43 0.00 -0.03 0.00 0.00 56.01 55.84 1ywu n LEU 118 Cb 0.24 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1ywu n LEU 118 CO 0.21 -0.07 1.72 0.18 -1.33 0.00 0.00 177.39 178.10 1ywu n LEU 119 N -2.14 5.14 -4.90 2.23 4.32 -0.47 -4.94 117.00 116.24 1ywu n LEU 119 Ca 0.04 -4.19 -0.31 0.00 -0.02 0.00 0.00 56.01 51.52 1ywu n LEU 119 Cb 0.44 -1.68 -0.05 0.00 -1.62 0.00 0.00 43.42 40.51 1ywu n LEU 119 CO 0.36 0.46 -0.00 -0.69 -1.22 0.00 0.00 177.39 176.29 1ywu s VAL 120 N 2.90 5.20 0.86 4.08 1.01 -1.26 -4.65 120.40 128.55 1ywu s VAL 120 Ca 0.48 -0.03 -0.13 0.00 0.00 0.00 0.00 61.98 62.30 1ywu s VAL 120 Cb 0.01 -3.62 0.12 0.00 0.00 0.00 0.00 36.38 32.89 1ywu s VAL 120 CO 0.04 0.06 1.21 -0.44 0.00 0.00 0.00 175.10 175.97 1ywu s SER 121 N -2.43 4.00 0.29 3.32 0.01 -1.26 -4.67 113.70 112.96 1ywu s SER 121 Ca 0.40 0.67 -0.04 0.00 1.31 0.00 0.00 55.95 58.29 1ywu s SER 121 Cb -0.12 -1.06 0.58 0.00 0.21 0.00 0.00 66.02 65.63 1ywu s SER 121 CO 0.25 -2.22 1.55 0.00 0.41 0.00 0.00 173.24 173.24 1ywu n ALA 122 N -3.50 0.35 -2.80 1.44 0.00 -1.26 -3.93 120.51 110.81 1ywu n ALA 122 Ca 0.10 1.08 -0.36 0.00 0.00 0.00 0.00 53.44 54.26 1ywu n ALA 122 Cb 0.60 -0.71 -0.08 0.00 0.00 0.00 0.00 19.45 19.27 1ywu n ALA 122 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1ywu s HIS 123 N -6.15 3.43 -0.87 0.00 -3.43 -1.26 -5.00 115.29 102.01 1ywu s HIS 123 Ca -0.14 0.34 0.24 0.00 -0.80 0.00 0.00 55.06 54.70 1ywu s HIS 123 Cb 0.28 -2.00 0.26 0.00 -1.43 0.00 0.00 32.58 29.68 1ywu s HIS 123 CO 0.78 0.48 1.23 -0.40 -2.00 0.00 0.00 174.74 174.82 1ywu n ASP 124 N 2.69 0.63 0.00 7.38 5.68 -1.25 -5.06 116.55 126.62 1ywu n ASP 124 Ca -0.18 -0.33 0.00 0.00 -0.50 0.00 0.00 54.79 53.78 1ywu n ASP 124 Cb 0.54 0.50 0.00 0.00 -1.14 0.00 0.00 41.12 41.01 1ywu n ASP 124 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20