#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 -0.50 -0.14 6.12 1.04 -1.26 -5.08 113.70 113.88 1ywu s SER 2 Ca 0.00 0.68 -0.09 0.00 0.48 0.00 0.00 55.95 57.02 1ywu s SER 2 Cb 0.00 0.59 -0.06 0.00 0.10 0.00 0.00 66.02 66.65 1ywu s SER 2 CO 0.00 -0.37 -0.00 -0.78 0.98 0.00 0.00 173.24 173.07 1ywu h ASP 3 N 3.22 0.00 -2.12 7.02 1.82 -2.03 -3.44 116.42 120.89 1ywu h ASP 3 Ca -0.24 -0.14 -0.55 0.00 -0.39 0.00 0.00 57.03 55.71 1ywu h ASP 3 Cb 1.16 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.16 1ywu h ASP 3 CO 0.27 0.79 1.44 0.00 -1.61 0.00 0.00 179.24 180.13 1ywu s GLN 4 N -2.04 2.93 0.00 0.28 -2.07 -1.26 -4.49 119.66 113.01 1ywu s GLN 4 Ca -0.12 1.57 0.00 0.00 -1.82 0.00 0.00 55.36 54.98 1ywu s GLN 4 Cb 0.02 -4.36 0.00 0.00 -1.09 0.00 0.00 33.01 27.57 1ywu s GLN 4 CO 0.23 -2.33 0.00 1.58 -1.32 0.00 0.00 175.29 173.45 1ywu n HIS 5 N 12.23 0.00 -4.31 9.60 -0.00 -1.26 -5.11 115.22 126.36 1ywu n HIS 5 Ca 0.28 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 58.21 1ywu n HIS 5 Cb 0.48 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 30.26 1ywu n HIS 5 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1ywu s ASP 6 N -0.95 4.25 0.10 0.26 1.11 -1.26 -5.02 116.67 115.15 1ywu s ASP 6 Ca 0.00 -0.64 -0.06 0.00 0.18 0.00 0.00 52.55 52.03 1ywu s ASP 6 Cb 0.00 -0.70 -0.20 0.00 1.07 0.00 0.00 42.92 43.09 1ywu s ASP 6 CO 0.00 0.07 1.21 -0.08 1.18 0.00 0.00 175.17 177.55 1ywu h GLU 7 N 2.59 0.39 0.00 8.23 4.81 -2.00 -3.45 114.58 125.15 1ywu h GLU 7 Ca -0.45 -0.52 -0.37 0.00 -0.13 0.00 0.00 59.36 57.88 1ywu h GLU 7 Cb 1.22 0.17 0.14 0.00 0.63 0.00 0.00 28.75 30.91 1ywu h GLU 7 CO 0.56 1.19 0.32 0.54 -0.73 0.00 0.00 179.01 180.89 1ywu n ARG 8 N -3.67 -0.94 -3.99 1.92 5.12 -1.26 -5.07 116.66 108.77 1ywu n ARG 8 Ca -0.09 -1.85 -0.35 0.00 -1.93 0.00 0.00 57.85 53.63 1ywu n ARG 8 Cb 0.93 -1.08 -0.11 0.00 -1.16 0.00 0.00 32.46 31.05 1ywu n ARG 8 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1ywu s ARG 9 N -5.37 3.87 0.46 5.56 3.52 -1.26 -4.97 118.95 120.76 1ywu s ARG 9 Ca 0.63 -0.39 -0.24 0.00 -0.13 0.00 0.00 55.73 55.60 1ywu s ARG 9 Cb -0.02 -3.22 -0.08 0.00 -1.56 0.00 0.00 34.95 30.07 1ywu s ARG 9 CO 0.44 0.16 1.22 0.54 -0.81 0.00 0.00 175.30 176.85 1ywu n ARG 10 N 3.88 1.71 -1.46 5.12 3.00 -1.26 -4.73 116.66 122.92 1ywu n ARG 10 Ca -0.16 0.61 -0.49 0.00 -0.01 0.00 0.00 57.85 57.80 1ywu n ARG 10 Cb 0.52 -2.35 -0.07 0.00 0.00 0.00 0.00 32.46 30.56 1ywu n ARG 10 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1ywu n PHE 11 N -0.55 1.55 -0.54 -1.55 3.72 -1.26 -4.77 117.46 114.06 1ywu n PHE 11 Ca 0.08 0.25 -0.00 0.00 -0.05 0.00 0.00 57.45 57.74 1ywu n PHE 11 Cb 0.41 -2.54 0.28 0.00 -0.94 0.00 0.00 39.48 36.69 1ywu n PHE 11 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 1ywu n HIS 12 N 10.35 1.82 -4.13 1.38 -0.00 -1.26 -4.38 115.22 118.99 1ywu n HIS 12 Ca 0.42 -0.79 -0.15 0.00 0.46 0.00 0.00 57.72 57.65 1ywu n HIS 12 Cb 0.25 -0.51 -0.13 0.00 -0.12 0.00 0.00 29.99 29.47 1ywu n HIS 12 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 1ywu s ARG 13 N -2.43 0.49 -0.99 1.57 1.70 -1.26 -4.93 118.95 113.10 1ywu s ARG 13 Ca 0.43 -0.43 -0.20 0.00 -0.47 0.00 0.00 55.73 55.06 1ywu s ARG 13 Cb 0.34 -0.39 0.10 0.00 -0.57 0.00 0.00 34.95 34.42 1ywu s ARG 13 CO 0.12 0.09 1.30 0.42 -1.08 0.00 0.00 175.30 176.15 1ywu s ILE 14 N -0.64 4.37 -0.29 4.99 -1.09 -1.26 -4.82 121.20 122.46 1ywu s ILE 14 Ca -0.03 -1.27 0.03 0.00 -2.23 0.00 0.00 60.65 57.15 1ywu s ILE 14 Cb -0.05 -4.92 0.20 0.00 -1.58 0.00 0.00 42.46 36.10 1ywu s ILE 14 CO 0.00 -1.72 0.62 0.00 -1.23 0.00 0.00 174.94 172.61 1ywu s ALA 15 N 3.69 -2.42 0.29 9.38 0.00 -1.26 -3.40 121.76 128.04 1ywu s ALA 15 Ca 0.39 1.37 0.08 0.00 0.00 0.00 0.00 51.96 53.80 1ywu s ALA 15 Cb -0.02 -2.41 -0.03 0.00 0.00 0.00 0.00 23.12 20.65 1ywu s ALA 15 CO -0.09 -1.64 0.19 -0.06 0.00 0.00 0.00 175.76 174.16 1ywu s PHE 16 N 2.85 2.96 -1.23 0.00 0.08 -1.26 -5.03 117.98 116.35 1ywu s PHE 16 Ca 0.14 -0.21 -0.17 0.00 0.12 0.00 0.00 56.93 56.82 1ywu s PHE 16 Cb -0.12 -1.51 0.10 0.00 -0.57 0.00 0.00 43.02 40.93 1ywu s PHE 16 CO -0.24 0.42 1.59 0.34 -0.10 0.00 0.00 175.22 177.23 1ywu s ASP 17 N -3.86 6.88 0.02 1.36 2.15 -1.26 -4.92 116.67 117.04 1ywu s ASP 17 Ca 0.35 -2.53 0.02 0.00 0.43 0.00 0.00 52.55 50.83 1ywu s ASP 17 Cb -0.07 -2.51 -0.01 0.00 -0.30 0.00 0.00 42.92 40.03 1ywu s ASP 17 CO 0.25 -1.05 -0.07 0.00 -0.17 0.00 0.00 175.17 174.12 1ywu s ALA 18 N 3.34 0.57 -0.36 3.66 0.00 -1.26 -4.85 121.76 122.86 1ywu s ALA 18 Ca 0.49 -0.51 -0.29 0.00 0.00 0.00 0.00 51.96 51.65 1ywu s ALA 18 Cb 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 1ywu s ALA 18 CO 0.03 0.07 1.62 -0.51 0.00 0.00 0.00 175.76 176.97 1ywu s ASP 19 N -0.84 6.10 -0.42 0.00 1.11 -0.69 -4.80 116.67 117.13 1ywu s ASP 19 Ca -0.03 1.10 -0.14 0.00 0.18 0.00 0.00 52.55 53.66 1ywu s ASP 19 Cb -0.06 -2.53 0.04 0.00 1.07 0.00 0.00 42.92 41.44 1ywu s ASP 19 CO 0.00 -1.58 0.31 -0.55 1.18 0.00 0.00 175.17 174.54 1ywu s SER 20 N 5.09 6.03 -0.23 0.27 0.15 -1.26 -0.82 113.70 122.93 1ywu s SER 20 Ca 0.72 -1.08 -0.05 0.00 0.70 0.00 0.00 55.95 56.23 1ywu s SER 20 Cb -0.19 -2.13 -0.01 0.00 -1.71 0.00 0.00 66.02 61.97 1ywu s SER 20 CO 0.33 -0.51 0.00 -1.61 1.20 0.00 0.00 173.24 172.66 1ywu s GLU 21 N 1.63 3.45 -0.38 5.44 2.02 -0.50 -0.45 118.70 129.92 1ywu s GLU 21 Ca 0.04 -0.59 -0.13 0.00 0.02 0.00 0.00 54.97 54.31 1ywu s GLU 21 Cb -0.21 -3.13 0.01 0.00 0.10 0.00 0.00 34.13 30.90 1ywu s GLU 21 CO 0.08 -0.21 0.26 0.42 0.02 0.00 0.00 175.26 175.83 1ywu s ILE 22 N 1.52 5.08 0.35 -1.63 1.01 0.13 -1.03 121.20 126.63 1ywu s ILE 22 Ca 0.06 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.15 1ywu s ILE 22 Cb -0.15 -3.77 -0.06 0.00 0.01 0.00 0.00 42.46 38.50 1ywu s ILE 22 CO -0.01 -0.21 0.07 -1.48 0.00 0.00 0.00 174.94 173.31 1ywu s LEU 23 N 1.66 2.17 -0.41 2.97 2.34 -0.30 -0.68 118.68 126.42 1ywu s LEU 23 Ca 0.05 -1.43 0.05 0.00 0.06 0.00 0.00 54.13 52.85 1ywu s LEU 23 Cb -0.19 -0.36 0.18 0.00 -0.56 0.00 0.00 46.19 45.26 1ywu s LEU 23 CO 0.09 -0.66 0.39 1.67 -1.06 0.00 0.00 176.35 176.78 1ywu n GLN 24 N -0.75 0.26 0.00 1.48 0.00 0.45 -0.40 117.38 118.43 1ywu n GLN 24 Ca -0.03 -3.10 0.00 0.00 -0.00 0.00 0.00 57.00 53.87 1ywu n GLN 24 Cb 0.66 -1.61 0.00 0.00 0.00 0.00 0.00 30.24 29.30 1ywu n GLN 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ywu n GLY 25 N 2.68 0.55 0.07 1.69 0.00 -1.26 -2.69 105.19 106.23 1ywu n GLY 25 Ca 0.28 0.66 -0.08 0.00 0.00 0.00 0.00 46.02 46.88 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 0.01 -5.09 1.61 4.81 -2.04 -3.45 114.58 110.43 1ywu h GLU 26 Ca 0.00 -0.01 -0.64 0.00 -0.13 0.00 0.00 59.36 58.58 1ywu h GLU 26 Cb 0.00 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 29.17 1ywu h GLU 26 CO 0.00 0.71 -0.63 1.03 -0.73 0.00 0.00 179.01 179.39 1ywu s ARG 27 N -2.64 3.70 -0.10 1.92 0.52 -1.09 -5.09 118.95 116.17 1ywu s ARG 27 Ca -0.02 -0.47 0.01 0.00 -0.52 0.00 0.00 55.73 54.72 1ywu s ARG 27 Cb 0.09 -3.20 -0.02 0.00 0.52 0.00 0.00 34.95 32.34 1ywu s ARG 27 CO 0.82 -0.01 -0.11 0.50 0.02 0.00 0.00 175.30 176.52 1ywu s ARG 28 N 1.11 3.03 -0.23 3.54 3.52 -1.26 -0.41 118.95 128.24 1ywu s ARG 28 Ca 0.03 -0.65 -0.01 0.00 -0.13 0.00 0.00 55.73 54.98 1ywu s ARG 28 Cb -0.14 -2.57 0.07 0.00 -1.56 0.00 0.00 34.95 30.74 1ywu s ARG 28 CO 0.02 0.43 0.00 -1.58 -0.81 0.00 0.00 175.30 173.36 1ywu s TRP 29 N -0.19 1.84 0.05 5.12 0.51 0.14 -4.97 118.94 121.44 1ywu s TRP 29 Ca 0.01 -1.46 -0.31 0.00 -2.12 0.00 0.00 56.10 52.22 1ywu s TRP 29 Cb -0.13 -1.44 -0.06 0.00 -0.81 0.00 0.00 33.47 31.03 1ywu s TRP 29 CO 0.03 -0.73 1.28 -2.00 -0.51 0.00 0.00 176.95 175.01 1ywu s GLU 30 N 1.58 4.37 0.09 4.98 2.12 -1.26 -0.69 118.70 129.89 1ywu s GLU 30 Ca -0.01 1.87 0.00 0.00 0.36 0.00 0.00 54.97 57.19 1ywu s GLU 30 Cb -0.18 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 1ywu s GLU 30 CO -0.09 -0.37 -0.04 0.54 -0.54 0.00 0.00 175.26 174.76 1ywu s VAL 31 N 1.39 0.46 -0.17 3.70 0.11 0.41 -4.94 120.40 121.36 1ywu s VAL 31 Ca 0.61 -1.89 -0.14 0.00 -2.93 0.00 0.00 61.98 57.63 1ywu s VAL 31 Cb -0.31 -1.68 -0.05 0.00 -1.53 0.00 0.00 36.38 32.81 1ywu s VAL 31 CO 0.28 -0.86 0.29 -0.76 -3.33 0.00 0.00 175.10 170.72 1ywu s LEU 32 N -3.01 4.23 0.17 2.54 1.02 -1.25 -3.99 118.68 118.38 1ywu s LEU 32 Ca 0.12 0.48 -0.28 0.00 0.02 0.00 0.00 54.13 54.46 1ywu s LEU 32 Cb 0.07 -2.36 -0.08 0.00 0.02 0.00 0.00 46.19 43.84 1ywu s LEU 32 CO -0.06 0.08 0.88 -0.22 0.02 0.00 0.00 176.35 177.06 1ywu s LEU 33 N 0.57 4.58 -0.11 1.79 0.20 -1.26 -2.18 118.68 122.26 1ywu s LEU 33 Ca 0.16 1.77 -0.01 0.00 0.69 0.00 0.00 54.13 56.74 1ywu s LEU 33 Cb -0.13 -3.48 -0.07 0.00 -0.43 0.00 0.00 46.19 42.09 1ywu s LEU 33 CO 0.04 0.10 -0.11 1.41 -0.29 0.00 0.00 176.35 177.50 1ywu n HIS 34 N 1.99 0.00 -3.64 5.38 8.25 -0.83 -4.85 115.22 121.52 1ywu n HIS 34 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.34 1ywu n HIS 34 Cb 0.48 -0.42 -0.07 0.00 1.12 0.00 0.00 29.99 31.10 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 -5.34 -0.57 0.00 0.41 2.15 -0.94 -4.48 116.67 107.91 1ywu s ASP 35 Ca -0.15 1.08 0.03 0.00 0.43 0.00 0.00 52.55 53.94 1ywu s ASP 35 Cb 0.05 1.11 -0.01 0.00 -0.30 0.00 0.00 42.92 43.76 1ywu s ASP 35 CO 0.24 -0.19 -0.10 0.54 -0.17 0.00 0.00 175.17 175.50 1ywu s VAL 36 N 0.37 0.77 0.00 1.11 0.11 -1.24 -0.38 120.40 121.14 1ywu s VAL 36 Ca 0.01 -0.54 0.00 0.00 -2.93 0.00 0.00 61.98 58.52 1ywu s VAL 36 Cb -0.05 -0.67 0.00 0.00 -1.53 0.00 0.00 36.38 34.13 1ywu s VAL 36 CO -0.05 0.13 0.00 -1.54 -3.33 0.00 0.00 175.10 170.31 1ywu n SER 37 N 2.59 0.00 0.04 3.54 3.41 0.38 -4.87 113.62 118.71 1ywu n SER 37 Ca -0.15 -0.98 0.13 0.00 -0.26 0.00 0.00 58.87 57.61 1ywu n SER 37 Cb 0.56 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.88 1ywu n SER 37 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ywu n LEU 38 N 0.00 0.48 -0.01 1.04 4.77 -1.25 -3.64 117.00 118.40 1ywu n LEU 38 Ca 0.00 0.32 0.07 0.00 -0.03 0.00 0.00 56.01 56.37 1ywu n LEU 38 Cb 0.00 -0.32 -0.10 0.00 -2.33 0.00 0.00 43.42 40.67 1ywu n LEU 38 CO 0.00 -0.02 -0.63 0.00 -1.33 0.00 0.00 177.39 175.41 1ywu n HIS 39 N -1.82 0.00 -0.59 -1.77 1.44 -1.26 -4.76 115.22 106.46 1ywu n HIS 39 Ca 0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 1ywu n HIS 39 Cb 0.38 -0.29 0.00 0.00 0.12 0.00 0.00 29.99 30.21 1ywu n HIS 39 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ywu n GLY 40 N 1.73 -1.38 3.16 -1.39 0.00 -1.24 -2.09 105.19 103.98 1ywu n GLY 40 Ca -0.02 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.18 -0.02 -0.30 -0.61 2.07 -0.26 -0.47 121.20 119.43 1ywu s ILE 41 Ca 0.00 0.08 -0.07 0.00 -1.41 0.00 0.00 60.65 59.26 1ywu s ILE 41 Cb 0.00 -0.47 0.01 0.00 0.13 0.00 0.00 42.46 42.14 1ywu s ILE 41 CO 0.00 0.03 0.08 -0.22 -1.91 0.00 0.00 174.94 172.92 1ywu s LEU 42 N 0.95 3.86 0.38 8.50 2.96 0.49 -0.40 118.68 135.43 1ywu s LEU 42 Ca -0.06 -0.74 0.08 0.00 -0.22 0.00 0.00 54.13 53.18 1ywu s LEU 42 Cb -0.07 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 1ywu s LEU 42 CO -0.07 -0.20 0.14 0.68 -1.32 0.00 0.00 176.35 175.59 1ywu s VAL 43 N 1.49 2.57 -0.20 1.68 -7.23 -0.55 -1.96 120.40 116.19 1ywu s VAL 43 Ca 0.02 -1.74 0.01 0.00 -1.81 0.00 0.00 61.98 58.46 1ywu s VAL 43 Cb -0.17 -2.96 0.05 0.00 0.56 0.00 0.00 36.38 33.86 1ywu s VAL 43 CO 0.02 -0.09 -0.09 -0.83 -0.31 0.00 0.00 175.10 173.81 1ywu s GLY 44 N -3.86 1.25 -0.30 2.32 0.00 -0.93 -1.13 107.32 104.67 1ywu s GLY 44 Ca 0.39 -1.21 -0.07 0.00 0.00 0.00 0.00 44.72 43.83 1ywu s GLY 44 CO 0.22 0.77 0.08 1.20 0.00 0.00 0.00 173.10 175.37 1ywu s GLN 45 N 1.41 2.97 0.00 2.90 -0.21 -0.11 -3.97 119.66 122.65 1ywu s GLN 45 Ca -0.02 -0.94 0.00 0.00 0.02 0.00 0.00 55.36 54.42 1ywu s GLN 45 Cb -0.17 -3.38 0.00 0.00 1.00 0.00 0.00 33.01 30.46 1ywu s GLN 45 CO -0.08 -0.50 0.80 -0.35 -2.12 0.00 0.00 175.29 173.05 1ywu n PRO 46 N 4.85 0.90 -3.70 2.91 -0.04 -1.26 -4.61 135.00 134.05 1ywu n PRO 46 Ca -0.14 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.20 1ywu n PRO 46 Cb 0.47 -1.11 -0.12 0.00 -0.04 0.00 0.00 33.50 32.70 1ywu n PRO 46 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1ywu s GLN 47 N -1.77 0.26 -0.03 0.54 2.00 -1.26 -5.15 119.66 114.26 1ywu s GLN 47 Ca 0.00 0.69 -0.20 0.00 -2.00 0.00 0.00 55.36 53.85 1ywu s GLN 47 Cb 0.00 -0.04 -0.05 0.00 0.80 0.00 0.00 33.01 33.72 1ywu s GLN 47 CO 0.00 -0.19 0.59 -0.51 -0.50 0.00 0.00 175.29 174.67 1ywu s ASP 48 N 1.63 6.92 0.00 6.67 1.11 -1.26 -5.05 116.67 126.69 1ywu s ASP 48 Ca -0.07 1.10 0.00 0.00 0.18 0.00 0.00 52.55 53.76 1ywu s ASP 48 Cb -0.10 -2.36 0.00 0.00 1.07 0.00 0.00 42.92 41.53 1ywu s ASP 48 CO -0.10 0.06 0.00 -2.67 1.18 0.00 0.00 175.17 173.64 1ywu n TRP 49 N 3.00 0.00 -0.03 4.23 2.14 -1.26 -5.03 117.44 120.48 1ywu n TRP 49 Ca -0.06 0.00 -0.03 0.00 2.07 0.00 0.00 57.50 59.48 1ywu n TRP 49 Cb 0.51 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 31.00 1ywu n TRP 49 CO 0.00 0.00 0.00 -1.71 2.07 0.00 0.00 177.69 178.05 1ywu n ASN 50 N 0.00 0.80 -0.20 -0.67 5.15 -1.26 -5.08 115.26 114.01 1ywu n ASN 50 Ca 0.00 0.28 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 1ywu n ASN 50 Cb 0.00 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 38.62 1ywu n ASN 50 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ywu n GLY 51 N 1.59 0.82 2.76 8.20 0.00 -1.26 -5.10 105.19 112.20 1ywu n GLY 51 Ca -0.05 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 1ywu n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ywu s ASP 52 N -2.08 3.04 0.00 1.61 -1.08 -1.26 -5.00 116.67 111.90 1ywu s ASP 52 Ca 0.00 -0.88 0.10 0.00 -0.52 0.00 0.00 52.55 51.26 1ywu s ASP 52 Cb 0.00 -0.67 0.43 0.00 -1.46 0.00 0.00 42.92 41.22 1ywu s ASP 52 CO 0.00 -0.30 1.32 -2.65 0.52 0.00 0.00 175.17 174.06 1ywu n PRO 53 N 5.00 0.00 0.06 4.34 -0.02 -1.26 -1.21 135.00 141.92 1ywu n PRO 53 Ca -0.09 0.32 0.13 0.00 -2.02 0.00 0.00 63.50 61.84 1ywu n PRO 53 Cb 0.47 -1.50 0.32 0.00 -0.02 0.00 0.00 33.50 32.77 1ywu n PRO 53 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1ywu n GLN 54 N -1.50 0.21 -3.35 -0.52 3.00 -1.26 -4.50 117.38 109.46 1ywu n GLN 54 Ca 0.02 0.11 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 1ywu n GLN 54 Cb 0.12 -1.69 -0.09 0.00 0.00 0.00 0.00 30.24 28.58 1ywu n GLN 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1ywu s ARG 55 N -3.10 3.14 0.39 -1.09 0.52 -0.35 -5.06 118.95 113.39 1ywu s ARG 55 Ca 0.09 -0.75 -0.26 0.00 -0.52 0.00 0.00 55.73 54.29 1ywu s ARG 55 Cb 0.14 -3.95 -0.09 0.00 0.52 0.00 0.00 34.95 31.58 1ywu s ARG 55 CO 0.65 -0.80 1.19 -1.25 0.02 0.00 0.00 175.30 175.11 1ywu s PRO 56 N 2.06 4.07 0.16 3.54 0.04 -1.26 -4.05 135.00 139.55 1ywu s PRO 56 Ca 0.11 1.90 0.10 0.00 0.04 0.00 0.00 61.00 63.15 1ywu s PRO 56 Cb -0.17 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 31.61 1ywu s PRO 56 CO 0.13 -0.33 -0.23 -0.06 0.04 0.00 0.00 177.00 176.55 1ywu s PHE 57 N -1.37 2.13 -0.18 0.56 0.08 0.44 -4.87 117.98 114.76 1ywu s PHE 57 Ca 0.56 -0.39 -0.06 0.00 0.12 0.00 0.00 56.93 57.16 1ywu s PHE 57 Cb -0.32 -1.09 -0.03 0.00 -0.57 0.00 0.00 43.02 41.00 1ywu s PHE 57 CO 0.41 0.39 0.03 -1.21 -0.10 0.00 0.00 175.22 174.73 1ywu s GLU 58 N -2.44 3.80 -0.36 0.44 2.02 0.47 -1.16 118.70 121.47 1ywu s GLU 58 Ca 0.16 -0.43 -0.07 0.00 0.02 0.00 0.00 54.97 54.65 1ywu s GLU 58 Cb -0.08 -3.12 0.05 0.00 0.10 0.00 0.00 34.13 31.08 1ywu s GLU 58 CO 0.07 0.18 0.14 0.00 0.02 0.00 0.00 175.26 175.68 1ywu s ALA 59 N 0.59 3.10 -0.28 5.21 0.00 -0.66 -1.15 121.76 128.57 1ywu s ALA 59 Ca 0.01 -1.91 -0.05 0.00 0.00 0.00 0.00 51.96 50.01 1ywu s ALA 59 Cb -0.14 -2.36 0.01 0.00 0.00 0.00 0.00 23.12 20.64 1ywu s ALA 59 CO 0.02 -1.45 0.04 0.50 0.00 0.00 0.00 175.76 174.87 1ywu s ARG 60 N 1.38 3.07 -0.39 0.00 3.52 -0.20 -2.05 118.95 124.28 1ywu s ARG 60 Ca 0.00 -0.86 -0.09 0.00 -0.13 0.00 0.00 55.73 54.65 1ywu s ARG 60 Cb -0.21 -3.26 0.06 0.00 -1.56 0.00 0.00 34.95 29.98 1ywu s ARG 60 CO 0.02 -0.41 0.22 -0.51 -0.81 0.00 0.00 175.30 173.81 1ywu s LEU 61 N 1.46 4.91 -0.83 -0.88 1.43 0.52 -1.41 118.68 123.89 1ywu s LEU 61 Ca 0.02 -1.32 -0.22 0.00 -1.03 0.00 0.00 54.13 51.58 1ywu s LEU 61 Cb -0.17 -1.97 0.08 0.00 0.03 0.00 0.00 46.19 44.15 1ywu s LEU 61 CO 0.01 -0.46 1.17 -0.31 0.23 0.00 0.00 176.35 176.98 1ywu s TYR 62 N 1.45 2.70 -0.20 0.29 2.02 -0.00 -0.82 117.35 122.79 1ywu s TYR 62 Ca 0.02 -0.76 0.18 0.00 -0.37 0.00 0.00 57.07 56.14 1ywu s TYR 62 Cb -0.21 -4.43 0.25 0.00 -0.40 0.00 0.00 41.96 37.16 1ywu s TYR 62 CO 0.03 -1.74 1.54 1.25 -1.57 0.00 0.00 175.55 175.06 1ywu h LEU 63 N 11.68 0.00 -7.41 -1.29 5.85 -1.59 -1.84 115.31 120.70 1ywu h LEU 63 Ca -0.06 0.00 0.20 0.00 0.84 0.00 0.00 57.88 58.86 1ywu h LEU 63 Cb 1.04 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.96 1ywu h LEU 63 CO 1.23 0.34 0.58 -0.83 -0.34 0.00 0.00 178.44 179.41 1ywu s GLY 64 N -4.37 -0.32 0.25 3.75 0.00 -0.44 -4.90 107.32 101.29 1ywu s GLY 64 Ca 0.04 0.49 -0.05 0.00 0.00 0.00 0.00 44.72 45.21 1ywu s GLY 64 CO 0.71 0.12 1.85 1.41 0.00 0.00 0.00 173.10 177.19 1ywu h LEU 65 N 2.00 0.85 -0.25 0.66 3.38 -2.00 -2.01 115.31 117.94 1ywu h LEU 65 Ca -0.24 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1ywu h LEU 65 Cb 1.22 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1ywu h LEU 65 CO 0.27 0.53 -0.58 -0.90 0.09 0.00 0.00 178.44 177.85 1ywu n ASP 66 N -4.62 0.96 -4.07 -0.43 5.75 -1.26 -4.69 116.55 108.19 1ywu n ASP 66 Ca 0.13 -0.76 -0.35 0.00 -0.01 0.00 0.00 54.79 53.80 1ywu n ASP 66 Cb 0.19 0.46 -0.11 0.00 -1.03 0.00 0.00 41.12 40.63 1ywu n ASP 66 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1ywu s VAL 67 N -2.82 3.33 -0.21 2.12 1.01 -0.75 -5.06 120.40 118.02 1ywu s VAL 67 Ca 0.14 -2.80 -0.04 0.00 0.00 0.00 0.00 61.98 59.28 1ywu s VAL 67 Cb 0.18 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 1ywu s VAL 67 CO 0.69 -0.81 -0.02 -0.22 0.00 0.00 0.00 175.10 174.74 1ywu s LEU 68 N 0.20 3.10 -0.16 3.92 2.96 -1.26 -1.32 118.68 126.13 1ywu s LEU 68 Ca 0.15 -0.28 -0.07 0.00 -0.22 0.00 0.00 54.13 53.71 1ywu s LEU 68 Cb -0.22 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1ywu s LEU 68 CO -0.03 0.03 0.07 -0.63 -1.32 0.00 0.00 176.35 174.47 1ywu s ILE 69 N 1.18 4.84 0.01 6.68 1.01 -0.00 -4.81 121.20 130.11 1ywu s ILE 69 Ca 0.03 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.67 1ywu s ILE 69 Cb -0.15 -3.15 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 1ywu s ILE 69 CO 0.00 0.50 -0.07 0.00 0.00 0.00 0.00 174.94 175.37 1ywu s ARG 70 N 0.02 0.53 -0.27 2.79 1.70 -1.26 -0.36 118.95 122.11 1ywu s ARG 70 Ca 0.06 -0.43 -0.14 0.00 -0.47 0.00 0.00 55.73 54.75 1ywu s ARG 70 Cb -0.12 -0.45 0.08 0.00 -0.57 0.00 0.00 34.95 33.89 1ywu s ARG 70 CO 0.01 0.11 0.64 0.00 -1.08 0.00 0.00 175.30 174.98 1ywu s MET 71 N -0.68 0.63 -0.14 3.89 0.23 -0.87 -3.36 119.30 119.01 1ywu s MET 71 Ca -0.02 1.20 -0.25 0.00 -1.03 0.00 0.00 55.69 55.59 1ywu s MET 71 Cb -0.05 0.23 -0.02 0.00 -1.53 0.00 0.00 34.83 33.46 1ywu s MET 71 CO 0.00 -0.16 0.79 -1.21 -2.03 0.00 0.00 175.02 172.41 1ywu s GLU 72 N 1.82 4.33 0.31 3.16 8.01 0.48 -1.65 118.70 135.17 1ywu s GLU 72 Ca -0.09 0.96 0.03 0.00 0.01 0.00 0.00 54.97 55.88 1ywu s GLU 72 Cb -0.07 -3.54 -0.05 0.00 -4.31 0.00 0.00 34.13 26.17 1ywu s GLU 72 CO -0.19 -0.22 0.11 0.96 0.01 0.00 0.00 175.26 175.94 1ywu s ILE 73 N 1.76 0.67 0.04 -1.63 -4.36 -0.30 -1.36 121.20 116.01 1ywu s ILE 73 Ca 0.38 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.81 1ywu s ILE 73 Cb -0.17 -2.60 -0.02 0.00 1.25 0.00 0.00 42.46 40.92 1ywu s ILE 73 CO 0.14 0.00 -0.12 -0.44 0.24 0.00 0.00 174.94 174.77 1ywu s SER 74 N -3.42 1.35 -0.27 4.36 0.01 -0.39 -0.42 113.70 114.93 1ywu s SER 74 Ca 0.35 -0.46 -0.29 0.00 1.31 0.00 0.00 55.95 56.86 1ywu s SER 74 Cb 0.07 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.22 1ywu s SER 74 CO 0.15 -0.04 1.67 -0.22 0.41 0.00 0.00 173.24 175.21 1ywu s LEU 75 N -1.22 3.73 -0.19 2.44 2.96 -1.26 -0.39 118.68 124.76 1ywu s LEU 75 Ca -0.02 1.45 -0.23 0.00 -0.22 0.00 0.00 54.13 55.11 1ywu s LEU 75 Cb -0.08 -3.53 -0.21 0.00 0.50 0.00 0.00 46.19 42.87 1ywu s LEU 75 CO 0.01 -1.43 0.37 0.00 -1.32 0.00 0.00 176.35 173.98 1ywu h ALA 76 N 11.48 0.19 -2.33 5.97 0.00 -1.68 -3.38 119.26 129.51 1ywu h ALA 76 Ca -0.33 -1.02 -0.08 0.00 0.00 0.00 0.00 54.91 53.48 1ywu h ALA 76 Cb 1.16 0.54 -0.22 0.00 0.00 0.00 0.00 17.79 19.26 1ywu h ALA 76 CO 1.02 0.53 -0.03 1.67 0.00 0.00 0.00 179.25 182.43 1ywu s TRP 77 N -2.33 -0.61 -0.16 0.00 1.48 -0.62 -4.95 118.94 111.74 1ywu s TRP 77 Ca -0.26 1.45 0.02 0.00 -1.06 0.00 0.00 56.10 56.25 1ywu s TRP 77 Cb 0.03 0.23 0.02 0.00 -1.16 0.00 0.00 33.47 32.59 1ywu s TRP 77 CO 0.62 -0.33 -0.20 0.00 -4.06 0.00 0.00 176.95 172.98 1ywu s ALA 78 N 0.11 2.25 -0.22 2.67 0.00 -1.26 -0.40 121.76 124.91 1ywu s ALA 78 Ca -0.01 -1.14 -0.04 0.00 0.00 0.00 0.00 51.96 50.77 1ywu s ALA 78 Cb -0.04 -1.09 0.11 0.00 0.00 0.00 0.00 23.12 22.11 1ywu s ALA 78 CO 0.02 -0.21 0.37 0.50 0.00 0.00 0.00 175.76 176.43 1ywu s ARG 79 N 1.10 0.32 -1.36 0.00 3.52 0.34 -4.92 118.95 117.94 1ywu s ARG 79 Ca -0.00 0.67 0.00 0.00 -0.13 0.00 0.00 55.73 56.27 1ywu s ARG 79 Cb -0.14 -0.26 0.00 0.00 -1.56 0.00 0.00 34.95 32.98 1ywu s ARG 79 CO -0.08 -0.51 0.00 -0.25 -0.81 0.00 0.00 175.30 173.65 1ywu n ASP 80 N 5.37 -4.57 0.00 -2.12 9.92 -1.26 -1.60 116.55 122.29 1ywu n ASP 80 Ca -0.05 0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.33 1ywu n ASP 80 Cb 0.50 -3.59 0.00 0.00 -0.64 0.00 0.00 41.12 37.39 1ywu n ASP 80 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ywu n GLY 81 N -1.07 1.06 3.63 0.44 0.00 -1.26 -5.03 105.19 102.95 1ywu n GLY 81 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 4.08 -0.25 0.99 1.43 -0.63 -0.93 118.68 123.36 1ywu s LEU 82 Ca 0.00 0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1ywu s LEU 82 Cb 0.00 -2.35 0.03 0.00 0.03 0.00 0.00 46.19 43.90 1ywu s LEU 82 CO 0.00 -0.09 -0.06 -0.76 0.23 0.00 0.00 176.35 175.67 1ywu s LEU 83 N 1.64 3.26 -0.35 1.79 1.02 -0.28 -0.51 118.68 125.26 1ywu s LEU 83 Ca 0.14 -0.93 -0.14 0.00 0.02 0.00 0.00 54.13 53.22 1ywu s LEU 83 Cb -0.15 -1.66 -0.01 0.00 0.02 0.00 0.00 46.19 44.38 1ywu s LEU 83 CO 0.08 -0.14 0.29 -0.83 0.02 0.00 0.00 176.35 175.77 1ywu s GLY 84 N 1.31 1.94 0.12 -3.19 0.00 0.46 -1.49 107.32 106.48 1ywu s GLY 84 Ca -0.01 -1.34 0.01 0.00 0.00 0.00 0.00 44.72 43.38 1ywu s GLY 84 CO -0.04 0.87 0.27 -1.36 0.00 0.00 0.00 173.10 172.84 1ywu s PHE 85 N 1.84 3.50 -0.14 1.90 0.40 0.47 -1.59 117.98 124.35 1ywu s PHE 85 Ca 0.08 0.21 -0.06 0.00 -0.60 0.00 0.00 56.93 56.56 1ywu s PHE 85 Cb -0.17 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.58 1ywu s PHE 85 CO 0.11 0.53 0.06 -2.00 0.70 0.00 0.00 175.22 174.62 1ywu s GLU 86 N -2.94 3.58 0.10 0.44 2.12 0.48 -1.10 118.70 121.38 1ywu s GLU 86 Ca 0.35 -0.31 -0.30 0.00 0.36 0.00 0.00 54.97 55.07 1ywu s GLU 86 Cb -0.12 -3.09 -0.06 0.00 0.26 0.00 0.00 34.13 31.12 1ywu s GLU 86 CO 0.28 0.51 1.10 0.00 -0.54 0.00 0.00 175.26 176.62 1ywu n GLN 88 N 3.17 0.23 -3.54 0.00 6.02 -0.66 -4.89 117.38 117.71 1ywu n GLN 88 Ca 0.05 0.10 -0.29 0.00 -0.01 0.00 0.00 57.00 56.85 1ywu n GLN 88 Cb 0.47 -0.89 -0.14 0.00 1.02 0.00 0.00 30.24 30.70 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 -2.26 0.50 -0.23 1.08 5.04 -0.46 -5.01 115.29 113.94 1ywu s HIS 89 Ca -0.14 -1.08 -0.13 0.00 -1.54 0.00 0.00 55.06 52.17 1ywu s HIS 89 Cb 0.04 -0.97 -0.05 0.00 0.04 0.00 0.00 32.58 31.65 1ywu s HIS 89 CO 0.19 -0.83 0.26 0.42 -2.34 0.00 0.00 174.74 172.43 1ywu s ILE 90 N 1.88 5.29 0.57 0.89 1.01 -1.26 -0.39 121.20 129.18 1ywu s ILE 90 Ca 0.11 0.39 -0.21 0.00 0.00 0.00 0.00 60.65 60.94 1ywu s ILE 90 Cb -0.17 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1ywu s ILE 90 CO -0.30 0.30 1.33 -0.62 0.00 0.00 0.00 174.94 175.66 1ywu s ASP 91 N 1.12 5.15 0.17 3.58 -1.08 -1.21 -4.78 116.67 119.63 1ywu s ASP 91 Ca 0.12 2.71 -0.14 0.00 -0.52 0.00 0.00 52.55 54.72 1ywu s ASP 91 Cb -0.14 -2.63 0.07 0.00 -1.46 0.00 0.00 42.92 38.76 1ywu s ASP 91 CO 0.06 -1.64 1.83 -0.07 0.52 0.00 0.00 175.17 175.87 1ywu h LEU 92 N 1.27 0.55 -0.68 -1.34 3.38 -1.97 0.23 115.31 116.75 1ywu h LEU 92 Ca -0.51 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.32 1ywu h LEU 92 Cb 1.31 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1ywu h LEU 92 CO 0.56 0.40 -0.39 -0.78 0.09 0.00 0.00 178.44 178.32 1ywu h ASP 93 N 0.66 0.61 -0.04 -0.43 1.82 -1.98 0.08 116.42 117.13 1ywu h ASP 93 Ca 0.19 -0.27 0.02 0.00 -0.39 0.00 0.00 57.03 56.58 1ywu h ASP 93 Cb -0.05 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 39.77 1ywu h ASP 93 CO -0.06 0.93 -0.08 -1.28 -1.61 0.00 0.00 179.24 177.15 1ywu h SER 94 N 0.47 -0.23 -0.96 2.28 0.87 -1.68 -0.65 113.55 113.66 1ywu h SER 94 Ca 0.04 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1ywu h SER 94 Cb 0.89 0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.91 1ywu h SER 94 CO 0.08 -0.11 0.64 0.40 -0.53 0.00 0.00 176.83 177.30 1ywu h ILE 95 N -0.12 1.25 -0.94 2.23 2.04 -0.30 -0.76 117.51 120.90 1ywu h ILE 95 Ca 0.04 -0.45 0.03 0.00 1.00 0.00 0.00 64.86 65.49 1ywu h ILE 95 Cb 0.17 -0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.03 1ywu h ILE 95 CO -0.11 0.24 0.62 0.28 0.00 0.00 0.00 178.15 179.18 1ywu h SER 96 N 1.30 1.04 -0.09 1.72 0.02 -0.36 0.14 113.55 117.32 1ywu h SER 96 Ca 0.35 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.24 1ywu h SER 96 Cb -0.15 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.14 1ywu h SER 96 CO -0.08 0.72 -0.13 0.45 -1.14 0.00 0.00 176.83 176.66 1ywu h HIS 97 N 1.21 0.29 0.26 3.45 3.86 -0.46 -2.45 115.15 121.31 1ywu h HIS 97 Ca 0.37 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.48 1ywu h HIS 97 Cb -0.03 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 1ywu h HIS 97 CO -0.00 0.71 -0.19 1.25 0.86 0.00 0.00 177.93 180.56 1ywu h LEU 98 N -0.21 -0.49 -0.84 2.43 5.85 -0.67 -0.74 115.31 120.64 1ywu h LEU 98 Ca 0.01 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 1ywu h LEU 98 Cb 0.68 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1ywu h LEU 98 CO 0.03 -0.29 -0.11 -0.09 -0.34 0.00 0.00 178.44 177.64 1ywu h ARG 99 N -0.45 0.75 -0.74 1.25 2.43 -0.86 -2.00 114.38 114.77 1ywu h ARG 99 Ca -0.02 -0.25 -0.05 0.00 -0.81 0.00 0.00 59.98 58.86 1ywu h ARG 99 Cb 0.39 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 1ywu h ARG 99 CO -0.00 0.83 0.28 -0.09 -1.51 0.00 0.00 179.97 179.48 1ywu h ARG 100 N 0.68 1.11 -0.52 0.20 9.65 -1.21 0.92 114.38 125.21 1ywu h ARG 100 Ca 0.12 -0.20 -0.07 0.00 -1.10 0.00 0.00 59.98 58.72 1ywu h ARG 100 Cb 0.58 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.96 1ywu h ARG 100 CO 0.04 0.91 0.05 1.25 2.80 0.00 0.00 179.97 185.02 1ywu h LEU 101 N 1.08 0.86 -0.41 3.80 5.85 -0.74 0.14 115.31 125.89 1ywu h LEU 101 Ca 0.25 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1ywu h LEU 101 Cb 0.23 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1ywu h LEU 101 CO -0.02 0.92 0.15 0.58 -0.34 0.00 0.00 178.44 179.74 1ywu h VAL 102 N 0.76 1.20 -0.39 1.05 2.07 -1.03 -1.95 116.25 117.98 1ywu h VAL 102 Ca 0.15 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 67.04 1ywu h VAL 102 Cb 0.45 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1ywu h VAL 102 CO 0.02 0.23 0.25 -0.08 0.02 0.00 0.00 177.57 178.01 1ywu h GLU 103 N 0.52 0.49 -0.49 1.57 4.81 -0.64 0.26 114.58 121.11 1ywu h GLU 103 Ca 0.14 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1ywu h GLU 103 Cb 0.21 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1ywu h GLU 103 CO -0.01 0.32 0.25 1.25 -0.73 0.00 0.00 179.01 180.09 1ywu h LEU 104 N 0.50 0.36 0.00 1.64 6.46 -0.52 -1.66 115.31 122.10 1ywu h LEU 104 Ca 0.14 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1ywu h LEU 104 Cb -0.04 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 1ywu h LEU 104 CO -0.04 0.25 -0.05 0.78 -0.62 0.00 0.00 178.44 178.76 1ywu h ASN 105 N 0.49 0.00 -5.65 1.25 2.35 -1.17 -3.47 115.58 109.37 1ywu h ASN 105 Ca 0.21 -0.01 -0.32 0.00 -0.55 0.00 0.00 56.30 55.63 1ywu h ASN 105 Cb 0.12 0.00 0.16 0.00 0.05 0.00 0.00 38.32 38.65 1ywu h ASN 105 CO -0.15 0.01 -0.80 -0.11 -1.65 0.00 0.00 177.43 174.72 1ywu n LEU 106 N -2.45 -4.35 -0.47 1.61 7.94 -0.03 -4.67 117.00 114.58 1ywu n LEU 106 Ca 0.05 -0.67 0.14 0.00 -1.11 0.00 0.00 56.01 54.42 1ywu n LEU 106 Cb 0.45 -3.09 0.51 0.00 0.53 0.00 0.00 43.42 41.83 1ywu n LEU 106 CO 0.32 0.31 0.85 0.61 -1.11 0.00 0.00 177.39 178.37 1ywu n GLY 107 N -1.21 -0.04 1.13 -3.96 0.00 -0.52 -4.86 105.19 95.72 1ywu n GLY 107 Ca -0.23 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.12 -4.88 0.00 1.61 9.92 -1.26 -4.67 116.55 117.39 1ywu n ASP 108 Ca 0.18 0.57 0.04 0.00 -0.53 0.00 0.00 54.79 55.05 1ywu n ASP 108 Cb 0.36 -2.62 0.19 0.00 -0.64 0.00 0.00 41.12 38.40 1ywu n ASP 108 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1ywu n GLU 109 N 0.75 0.03 -0.30 -1.24 4.71 -1.26 -2.40 120.64 120.93 1ywu n GLU 109 Ca 0.00 0.32 0.19 0.00 -0.01 0.00 0.00 57.16 57.67 1ywu n GLU 109 Cb 0.00 -1.50 0.47 0.00 -1.01 0.00 0.00 31.44 29.40 1ywu n GLU 109 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1ywu h GLU 110 N 0.00 0.46 -0.17 3.49 4.81 -1.98 0.17 114.58 121.35 1ywu h GLU 110 Ca 0.00 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1ywu h GLU 110 Cb 0.13 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1ywu h GLU 110 CO 0.00 0.30 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.45 1ywu h LEU 111 N 0.47 0.24 -0.01 1.64 3.38 -1.75 -1.55 115.31 117.73 1ywu h LEU 111 Ca 0.54 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.48 1ywu h LEU 111 Cb 1.26 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1ywu h LEU 111 CO -0.27 0.34 0.00 0.18 0.09 0.00 0.00 178.44 178.79 1ywu n LEU 112 N -4.33 0.79 -1.36 1.67 4.77 0.03 -3.66 117.00 114.91 1ywu n LEU 112 Ca -0.00 0.58 0.10 0.00 -0.03 0.00 0.00 56.01 56.65 1ywu n LEU 112 Cb 0.22 -0.33 0.32 0.00 -2.33 0.00 0.00 43.42 41.30 1ywu n LEU 112 CO 0.37 -0.18 0.78 -0.62 -1.33 0.00 0.00 177.39 176.41 1ywu n GLU 113 N -2.24 3.22 0.00 3.23 1.02 -0.59 -3.82 120.64 121.46 1ywu n GLU 113 Ca 0.06 -2.71 0.00 0.00 -0.02 0.00 0.00 57.16 54.49 1ywu n GLU 113 Cb 0.42 -1.69 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 1.21 0.63 -4.46 3.49 1.74 -1.22 -5.08 116.66 112.97 1ywu n ARG 114 Ca 0.24 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 57.06 1ywu n ARG 114 Cb 0.73 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 32.04 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 -0.80 1.32 0.33 5.56 -6.30 -1.26 -4.93 118.70 112.62 1ywu s GLU 115 Ca 0.00 -1.15 0.07 0.00 -2.50 0.00 0.00 54.97 51.40 1ywu s GLU 115 Cb 0.00 -1.59 0.76 0.00 0.00 0.00 0.00 34.13 33.30 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 4.29 0.73 -1.38 2.70 5.85 -1.95 0.66 115.31 126.21 1ywu h LEU 116 Ca -0.46 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1ywu h LEU 116 Cb 1.17 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1ywu h LEU 116 CO 0.41 0.35 0.00 0.00 -0.34 0.00 0.00 178.44 178.85 1ywu h ALA 117 N 1.59 1.00 0.00 1.25 0.00 -2.01 -1.38 119.26 119.71 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 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ywu h ALA 117 CO -0.25 0.00 -0.76 -0.07 0.00 0.00 0.00 179.25 178.17 1ywu h LEU 118 N 0.00 0.00 -8.45 0.00 3.38 -0.08 -3.44 115.31 106.72 1ywu h LEU 118 Ca 0.00 -0.24 -0.61 0.00 0.09 0.00 0.00 57.88 57.12 1ywu h LEU 118 Cb 0.27 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.90 1ywu h LEU 118 CO 0.00 0.12 0.57 -0.76 0.09 0.00 0.00 178.44 178.46 1ywu s LEU 119 N -4.24 4.12 0.36 1.67 1.02 -0.52 -4.94 118.68 116.15 1ywu s LEU 119 Ca 0.05 -0.45 0.08 0.00 0.02 0.00 0.00 54.13 53.83 1ywu s LEU 119 Cb 0.13 -2.76 -0.05 0.00 0.02 0.00 0.00 46.19 43.53 1ywu s LEU 119 CO 0.75 -1.27 0.11 -0.69 0.02 0.00 0.00 176.35 175.27 1ywu s VAL 120 N 4.01 2.70 1.06 -1.59 1.01 -1.26 -4.96 120.40 121.38 1ywu s VAL 120 Ca 0.29 -1.78 -0.14 0.00 0.00 0.00 0.00 61.98 60.36 1ywu s VAL 120 Cb -0.13 -2.93 0.22 0.00 0.00 0.00 0.00 36.38 33.54 1ywu s VAL 120 CO 0.18 -0.14 1.09 -0.94 0.00 0.00 0.00 175.10 175.29 1ywu s SER 121 N -3.82 2.06 0.56 3.32 1.04 -1.26 -4.90 113.70 110.69 1ywu s SER 121 Ca 0.38 1.06 0.25 0.00 0.48 0.00 0.00 55.95 58.12 1ywu s SER 121 Cb -0.00 -1.65 1.57 0.00 0.10 0.00 0.00 66.02 66.05 1ywu s SER 121 CO 0.22 -3.47 2.16 0.00 0.98 0.00 0.00 173.24 173.13 1ywu h ALA 122 N -2.13 1.83 -3.28 5.32 0.00 -2.01 -3.38 119.26 115.62 1ywu h ALA 122 Ca -0.53 -0.00 -0.65 0.00 0.00 0.00 0.00 54.91 53.73 1ywu h ALA 122 Cb 1.33 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.95 1ywu h ALA 122 CO 0.52 -0.12 -0.61 -3.38 0.00 0.00 0.00 179.25 175.66 1ywu s HIS 123 N -4.81 3.16 -0.04 0.00 -3.43 -1.26 -5.11 115.29 103.81 1ywu s HIS 123 Ca -0.05 0.01 0.06 0.00 -0.80 0.00 0.00 55.06 54.29 1ywu s HIS 123 Cb 0.16 -1.94 -0.01 0.00 -1.43 0.00 0.00 32.58 29.36 1ywu s HIS 123 CO 0.60 0.22 -0.23 0.16 -2.00 0.00 0.00 174.74 173.49 1ywu s ASP 124 N -0.10 2.82 0.00 7.38 -4.77 -1.26 -5.07 116.67 115.68 1ywu s ASP 124 Ca 0.05 -0.45 0.18 0.00 -3.30 0.00 0.00 52.55 49.02 1ywu s ASP 124 Cb -0.13 -0.57 0.14 0.00 -1.09 0.00 0.00 42.92 41.28 1ywu s ASP 124 CO 0.02 0.26 1.06 0.47 0.70 0.00 0.00 175.17 177.67