#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ywu n SER 2 N 0.00 -4.16 -4.65 6.12 7.64 -1.26 -4.81 113.62 112.50 1ywu n SER 2 Ca 0.00 1.26 -0.51 0.00 1.01 0.00 0.00 58.87 60.63 1ywu n SER 2 Cb 0.00 -4.35 -0.06 0.00 -1.01 0.00 0.00 64.21 58.79 1ywu n SER 2 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ywu n ASP 3 N 1.40 2.90 -4.70 6.43 9.92 -1.26 -4.85 116.55 126.39 1ywu n ASP 3 Ca -0.18 0.88 -0.42 0.00 -0.53 0.00 0.00 54.79 54.55 1ywu n ASP 3 Cb 0.27 -1.29 -0.03 0.00 -0.64 0.00 0.00 41.12 39.44 1ywu n ASP 3 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1ywu s GLN 4 N 4.38 4.15 -0.34 -1.24 2.00 -1.26 -4.96 119.66 122.39 1ywu s GLN 4 Ca 0.98 2.53 0.06 0.00 -2.00 0.00 0.00 55.36 56.93 1ywu s GLN 4 Cb -0.83 -3.45 0.19 0.00 0.80 0.00 0.00 33.01 29.72 1ywu s GLN 4 CO 0.55 -0.79 0.63 -1.58 -0.50 0.00 0.00 175.29 173.60 1ywu s HIS 5 N 2.27 -1.75 -0.07 1.67 5.65 -1.26 -4.97 115.29 116.83 1ywu s HIS 5 Ca 0.78 0.73 0.22 0.00 0.25 0.00 0.00 55.06 57.03 1ywu s HIS 5 Cb -0.46 0.31 -0.28 0.00 -1.18 0.00 0.00 32.58 30.97 1ywu s HIS 5 CO 0.34 -1.08 0.54 -0.40 -0.65 0.00 0.00 174.74 173.49 1ywu n ASP 6 N 4.99 0.15 -4.44 9.88 5.75 -1.26 -5.00 116.55 126.62 1ywu n ASP 6 Ca 0.07 0.06 -0.37 0.00 -0.01 0.00 0.00 54.79 54.55 1ywu n ASP 6 Cb 0.55 1.65 0.06 0.00 -1.03 0.00 0.00 41.12 42.36 1ywu n ASP 6 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1ywu n GLU 7 N -2.37 0.30 0.00 0.11 0.00 -1.26 0.98 120.64 118.40 1ywu n GLU 7 Ca -0.06 0.14 0.00 0.00 0.00 0.00 0.00 57.16 57.24 1ywu n GLU 7 Cb 0.62 -1.75 0.00 0.00 0.00 0.00 0.00 31.44 30.31 1ywu n GLU 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1ywu n ARG 8 N -0.44 0.00 0.00 5.31 0.63 -1.26 -4.51 116.66 116.39 1ywu n ARG 8 Ca 0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1ywu n ARG 8 Cb 0.50 -0.49 0.00 0.00 0.45 0.00 0.00 32.46 32.92 1ywu n ARG 8 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1ywu n ARG 9 N -2.00 0.00 -3.52 -0.14 0.63 -1.06 -5.04 116.66 105.53 1ywu n ARG 9 Ca 0.00 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.72 1ywu n ARG 9 Cb 0.00 -0.38 0.08 0.00 0.45 0.00 0.00 32.46 32.61 1ywu n ARG 9 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1ywu n ARG 10 N -0.96 -7.38 -2.03 -0.14 1.74 0.27 -4.87 116.66 103.29 1ywu n ARG 10 Ca 0.00 0.82 -0.43 0.00 -0.77 0.00 0.00 57.85 57.47 1ywu n ARG 10 Cb 0.00 -5.82 -0.03 0.00 -1.02 0.00 0.00 32.46 25.59 1ywu n ARG 10 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1ywu s PHE 11 N -3.33 1.88 -0.37 -1.55 2.19 -1.25 -4.96 117.98 110.59 1ywu s PHE 11 Ca 0.38 0.61 -0.22 0.00 0.33 0.00 0.00 56.93 58.02 1ywu s PHE 11 Cb -0.17 -4.14 0.01 0.00 -1.31 0.00 0.00 43.02 37.42 1ywu s PHE 11 CO 0.72 -2.90 0.75 -1.01 1.83 0.00 0.00 175.22 174.61 1ywu s HIS 12 N 6.58 3.11 0.28 10.12 3.76 -1.26 -4.91 115.29 132.96 1ywu s HIS 12 Ca 0.78 0.45 0.36 0.00 -0.15 0.00 0.00 55.06 56.50 1ywu s HIS 12 Cb -0.22 -3.37 1.83 0.00 1.11 0.00 0.00 32.58 31.93 1ywu s HIS 12 CO 0.33 -0.74 2.10 0.00 -0.85 0.00 0.00 174.74 175.58 1ywu h ARG 13 N 8.54 0.00 -3.60 1.40 3.08 -1.95 -3.06 114.38 118.79 1ywu h ARG 13 Ca -0.25 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 59.07 1ywu h ARG 13 Cb 1.10 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.82 1ywu h ARG 13 CO 0.90 0.00 -0.18 0.42 -1.07 0.00 0.00 179.97 180.04 1ywu s ILE 14 N -3.85 4.39 0.00 2.04 -1.09 -1.26 -4.82 121.20 116.61 1ywu s ILE 14 Ca -0.02 -2.97 0.00 0.00 -2.23 0.00 0.00 60.65 55.43 1ywu s ILE 14 Cb 0.10 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 1ywu s ILE 14 CO 0.40 -0.96 0.00 0.00 -1.23 0.00 0.00 174.94 173.16 1ywu n ALA 15 N 3.43 0.00 0.70 9.38 0.00 -1.16 -4.46 120.51 128.40 1ywu n ALA 15 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.68 1ywu n ALA 15 Cb 0.40 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.16 1ywu n ALA 15 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ywu n PHE 16 N 0.00 0.53 -1.41 0.00 3.72 -1.26 -4.85 117.46 114.19 1ywu n PHE 16 Ca 0.00 0.15 -0.14 0.00 -0.05 0.00 0.00 57.45 57.41 1ywu n PHE 16 Cb 0.00 -0.67 -0.06 0.00 -0.94 0.00 0.00 39.48 37.81 1ywu n PHE 16 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ywu n ASP 17 N -2.00 -5.38 -4.81 4.37 2.03 -1.26 -4.95 116.55 104.54 1ywu n ASP 17 Ca 0.05 0.35 -0.32 0.00 0.52 0.00 0.00 54.79 55.39 1ywu n ASP 17 Cb 0.41 -4.13 0.01 0.00 -0.72 0.00 0.00 41.12 36.69 1ywu n ASP 17 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ywu s ALA 18 N -2.31 2.77 -0.14 -1.67 0.00 -1.26 -4.97 121.76 114.18 1ywu s ALA 18 Ca 0.00 0.29 -0.29 0.00 0.00 0.00 0.00 51.96 51.96 1ywu s ALA 18 Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1ywu s ALA 18 CO 0.00 -0.84 1.54 0.34 0.00 0.00 0.00 175.76 176.81 1ywu s ASP 19 N -3.07 6.64 -0.15 0.00 2.15 -1.09 -4.75 116.67 116.39 1ywu s ASP 19 Ca 0.62 1.89 0.01 0.00 0.43 0.00 0.00 52.55 55.49 1ywu s ASP 19 Cb -0.15 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 1ywu s ASP 19 CO 0.41 -1.00 -0.16 -0.55 -0.17 0.00 0.00 175.17 173.70 1ywu s SER 20 N 3.30 3.56 -0.14 -0.34 0.15 -1.26 -0.42 113.70 118.55 1ywu s SER 20 Ca 0.68 -0.50 0.03 0.00 0.70 0.00 0.00 55.95 56.86 1ywu s SER 20 Cb -0.28 -1.54 0.01 0.00 -1.71 0.00 0.00 66.02 62.50 1ywu s SER 20 CO 0.26 0.08 -0.22 -1.61 1.20 0.00 0.00 173.24 172.95 1ywu s GLU 21 N 0.83 2.98 -0.18 5.44 2.02 -0.71 -1.95 118.70 127.13 1ywu s GLU 21 Ca -0.05 -0.84 -0.08 0.00 0.02 0.00 0.00 54.97 54.02 1ywu s GLU 21 Cb -0.15 -2.40 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 1ywu s GLU 21 CO -0.01 -0.01 0.08 0.42 0.02 0.00 0.00 175.26 175.77 1ywu s ILE 22 N 0.81 5.00 0.23 -1.63 1.01 -0.44 -1.68 121.20 124.49 1ywu s ILE 22 Ca -0.07 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.62 1ywu s ILE 22 Cb -0.16 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 1ywu s ILE 22 CO -0.02 0.47 0.13 -1.48 0.00 0.00 0.00 174.94 174.04 1ywu s LEU 23 N 0.25 1.36 -0.25 2.97 2.34 -0.61 -0.40 118.68 124.34 1ywu s LEU 23 Ca 0.05 -1.43 0.13 0.00 0.06 0.00 0.00 54.13 52.95 1ywu s LEU 23 Cb -0.12 0.28 0.47 0.00 -0.56 0.00 0.00 46.19 46.26 1ywu s LEU 23 CO -0.00 -0.83 1.17 1.67 -1.06 0.00 0.00 176.35 177.30 1ywu n GLN 24 N -0.37 2.55 0.00 1.48 7.27 -0.78 -0.76 117.38 126.77 1ywu n GLN 24 Ca 0.02 -3.71 0.00 0.00 0.07 0.00 0.00 57.00 53.38 1ywu n GLN 24 Cb 0.66 -1.84 0.00 0.00 2.41 0.00 0.00 30.24 31.47 1ywu n GLN 24 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ywu n GLY 25 N -0.65 1.61 0.13 1.69 0.00 -1.26 -4.47 105.19 102.24 1ywu n GLY 25 Ca 0.27 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 1ywu n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ywu h GLU 26 N 0.00 0.36 -4.73 1.61 5.08 -2.02 -3.46 114.58 111.42 1ywu h GLU 26 Ca 0.00 -0.62 -0.37 0.00 -1.00 0.00 0.00 59.36 57.38 1ywu h GLU 26 Cb 0.00 0.23 -0.27 0.00 0.50 0.00 0.00 28.75 29.21 1ywu h GLU 26 CO 0.00 1.26 -0.77 0.50 -1.00 0.00 0.00 179.01 179.00 1ywu s ARG 27 N -2.61 0.67 0.08 2.33 3.52 -1.26 -5.15 118.95 116.54 1ywu s ARG 27 Ca -0.11 -0.45 0.10 0.00 -0.13 0.00 0.00 55.73 55.14 1ywu s ARG 27 Cb 0.06 -0.62 -0.03 0.00 -1.56 0.00 0.00 34.95 32.79 1ywu s ARG 27 CO 0.88 0.16 -0.25 -0.98 -0.81 0.00 0.00 175.30 174.30 1ywu s ARG 28 N -0.60 1.69 -0.06 5.12 1.70 -1.26 -1.87 118.95 123.66 1ywu s ARG 28 Ca 0.01 -1.19 0.03 0.00 -0.47 0.00 0.00 55.73 54.10 1ywu s ARG 28 Cb -0.05 -1.99 0.01 0.00 -0.57 0.00 0.00 34.95 32.35 1ywu s ARG 28 CO 0.00 0.49 -0.13 -1.58 -1.08 0.00 0.00 175.30 173.00 1ywu s TRP 29 N -0.95 1.45 -0.40 5.89 0.51 0.46 -4.98 118.94 120.93 1ywu s TRP 29 Ca 0.14 -0.51 -0.28 0.00 -2.12 0.00 0.00 56.10 53.33 1ywu s TRP 29 Cb -0.10 -1.05 -0.01 0.00 -0.81 0.00 0.00 33.47 31.50 1ywu s TRP 29 CO 0.05 -0.25 1.72 -2.00 -0.51 0.00 0.00 176.95 175.96 1ywu s GLU 30 N 0.53 3.27 0.12 4.98 2.12 -1.26 -1.33 118.70 127.13 1ywu s GLU 30 Ca -0.12 1.18 0.04 0.00 0.36 0.00 0.00 54.97 56.42 1ywu s GLU 30 Cb -0.15 -4.19 -0.04 0.00 0.26 0.00 0.00 34.13 30.01 1ywu s GLU 30 CO 0.03 -1.94 0.11 0.54 -0.54 0.00 0.00 175.26 173.46 1ywu s VAL 31 N 6.93 4.55 -0.36 3.70 0.11 -0.82 -4.91 120.40 129.59 1ywu s VAL 31 Ca 0.73 -0.90 -0.19 0.00 -2.93 0.00 0.00 61.98 58.69 1ywu s VAL 31 Cb -0.19 -3.25 0.00 0.00 -1.53 0.00 0.00 36.38 31.41 1ywu s VAL 31 CO 0.31 0.01 0.58 -0.76 -3.33 0.00 0.00 175.10 171.91 1ywu s LEU 32 N -2.74 4.32 0.51 2.54 1.02 -0.44 -4.31 118.68 119.58 1ywu s LEU 32 Ca 0.30 0.03 -0.21 0.00 0.02 0.00 0.00 54.13 54.27 1ywu s LEU 32 Cb -0.11 -2.68 -0.06 0.00 0.02 0.00 0.00 46.19 43.36 1ywu s LEU 32 CO 0.23 -0.55 1.18 -0.22 0.02 0.00 0.00 176.35 177.01 1ywu s LEU 33 N 2.56 3.87 0.00 1.79 2.96 -1.26 -1.60 118.68 126.99 1ywu s LEU 33 Ca 0.21 2.33 0.00 0.00 -0.22 0.00 0.00 54.13 56.45 1ywu s LEU 33 Cb -0.15 -4.40 0.00 0.00 0.50 0.00 0.00 46.19 42.14 1ywu s LEU 33 CO 0.14 -1.18 0.00 1.41 -1.32 0.00 0.00 176.35 175.41 1ywu n HIS 34 N -0.95 0.00 -4.79 5.38 8.25 -1.25 -4.88 115.22 116.99 1ywu n HIS 34 Ca 0.10 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.31 1ywu n HIS 34 Cb 0.49 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.45 1ywu n HIS 34 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ywu s ASP 35 N 1.00 2.02 0.06 0.41 1.11 -1.02 -3.95 116.67 116.30 1ywu s ASP 35 Ca 0.00 -0.33 -0.03 0.00 0.18 0.00 0.00 52.55 52.38 1ywu s ASP 35 Cb 0.00 -0.22 -0.03 0.00 1.07 0.00 0.00 42.92 43.74 1ywu s ASP 35 CO 0.00 0.20 0.02 0.54 1.18 0.00 0.00 175.17 177.11 1ywu s VAL 36 N -0.44 0.20 0.15 -1.27 0.11 -1.26 -0.59 120.40 117.30 1ywu s VAL 36 Ca 0.06 -1.65 -0.06 0.00 -2.93 0.00 0.00 61.98 57.40 1ywu s VAL 36 Cb -0.07 -1.46 0.02 0.00 -1.53 0.00 0.00 36.38 33.35 1ywu s VAL 36 CO -0.00 -0.91 0.30 -1.54 -3.33 0.00 0.00 175.10 169.61 1ywu n SER 37 N 0.10 -0.88 -1.18 3.54 3.41 -0.04 -4.78 113.62 113.79 1ywu n SER 37 Ca -0.14 -1.61 0.07 0.00 -0.26 0.00 0.00 58.87 56.92 1ywu n SER 37 Cb 0.61 1.46 0.25 0.00 -0.26 0.00 0.00 64.21 66.27 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 3.44 -0.44 1.04 4.77 -1.25 -3.61 117.00 120.94 1ywu n LEU 38 Ca -0.03 -1.73 0.00 0.00 -0.03 0.00 0.00 56.01 54.21 1ywu n LEU 38 Cb 0.23 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1ywu n LEU 38 CO 0.11 0.60 0.25 0.00 -1.33 0.00 0.00 177.39 177.02 1ywu n HIS 39 N 0.72 0.00 0.00 -1.77 1.44 -1.26 -4.91 115.22 109.44 1ywu n HIS 39 Ca 0.18 -0.01 0.00 0.00 -2.01 0.00 0.00 57.72 55.88 1ywu n HIS 39 Cb 0.65 -0.05 0.00 0.00 0.12 0.00 0.00 29.99 30.72 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 -0.01 3.67 2.85 -1.39 0.00 -1.24 -4.08 105.19 104.99 1ywu n GLY 40 Ca 0.00 -1.44 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.00 -0.02 -0.27 -0.61 2.07 -0.22 -0.86 121.20 119.29 1ywu s ILE 41 Ca 0.00 0.08 -0.02 0.00 -1.41 0.00 0.00 60.65 59.31 1ywu s ILE 41 Cb 0.00 -0.06 0.03 0.00 0.13 0.00 0.00 42.46 42.57 1ywu s ILE 41 CO 0.00 0.03 -0.04 -0.22 -1.91 0.00 0.00 174.94 172.81 1ywu s LEU 42 N 0.43 3.44 0.41 8.50 2.96 0.24 -0.95 118.68 133.70 1ywu s LEU 42 Ca -0.04 -1.01 0.03 0.00 -0.22 0.00 0.00 54.13 52.90 1ywu s LEU 42 Cb -0.05 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 1ywu s LEU 42 CO -0.01 -0.17 0.09 0.68 -1.32 0.00 0.00 176.35 175.61 1ywu s VAL 43 N 1.30 0.87 -0.11 1.68 -7.23 -0.75 -2.42 120.40 113.75 1ywu s VAL 43 Ca -0.02 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.17 1ywu s VAL 43 Cb -0.18 -2.44 0.01 0.00 0.56 0.00 0.00 36.38 34.34 1ywu s VAL 43 CO -0.03 0.00 -0.16 -0.83 -0.31 0.00 0.00 175.10 173.77 1ywu s GLY 44 N -3.63 1.06 -0.06 2.32 0.00 -0.63 -1.16 107.32 105.22 1ywu s GLY 44 Ca 0.24 -0.75 -0.02 0.00 0.00 0.00 0.00 44.72 44.18 1ywu s GLY 44 CO 0.13 0.22 0.07 1.62 0.00 0.00 0.00 173.10 175.13 1ywu s GLN 45 N 0.98 -0.06 0.00 2.90 0.74 -1.15 -1.33 119.66 121.75 1ywu s GLN 45 Ca -0.07 0.33 0.15 0.00 0.05 0.00 0.00 55.36 55.82 1ywu s GLN 45 Cb -0.15 -0.67 0.60 0.00 1.10 0.00 0.00 33.01 33.89 1ywu s GLN 45 CO -0.02 -0.37 1.43 -0.35 -0.55 0.00 0.00 175.29 175.43 1ywu n PRO 46 N 5.30 1.52 -3.34 1.67 -0.04 -1.26 -4.83 135.00 134.02 1ywu n PRO 46 Ca -0.04 -0.79 -0.19 0.00 -0.04 0.00 0.00 63.50 62.44 1ywu n PRO 46 Cb 0.50 -1.29 -0.01 0.00 -0.04 0.00 0.00 33.50 32.66 1ywu n PRO 46 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1ywu s GLN 47 N -1.79 2.64 0.00 0.54 -0.21 -1.26 -5.14 119.66 114.44 1ywu s GLN 47 Ca 0.25 -1.43 0.00 0.00 0.02 0.00 0.00 55.36 54.20 1ywu s GLN 47 Cb 0.13 -2.53 0.00 0.00 1.00 0.00 0.00 33.01 31.61 1ywu s GLN 47 CO 0.19 -0.25 0.00 -0.25 -2.12 0.00 0.00 175.29 172.86 1ywu n ASP 48 N -1.69 0.00 -4.75 5.90 9.92 -1.26 -5.14 116.55 119.53 1ywu n ASP 48 Ca 0.06 -0.10 -0.26 0.00 -0.53 0.00 0.00 54.79 53.95 1ywu n ASP 48 Cb 0.61 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 41.02 1ywu n ASP 48 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1ywu s TRP 49 N 1.69 2.38 0.00 1.24 0.23 -1.26 -5.04 118.94 118.18 1ywu s TRP 49 Ca 0.00 -0.67 0.00 0.00 -2.03 0.00 0.00 56.10 53.40 1ywu s TRP 49 Cb 0.00 -1.90 0.00 0.00 0.03 0.00 0.00 33.47 31.60 1ywu s TRP 49 CO 0.00 0.12 0.00 -1.71 0.96 0.00 0.00 176.95 176.32 1ywu n ASN 50 N -1.29 0.00 0.02 2.95 5.15 -1.26 -4.95 115.26 115.87 1ywu n ASN 50 Ca -0.04 0.39 -0.00 0.00 -0.60 0.00 0.00 54.58 54.33 1ywu n ASN 50 Cb 0.65 -0.40 -0.00 0.00 -0.53 0.00 0.00 39.78 39.50 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 2.08 0.03 3.09 8.20 0.00 -1.26 -5.10 105.19 112.23 1ywu n GLY 51 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -5.44 -0.28 0.47 1.61 2.15 -1.26 -5.02 116.67 108.90 1ywu s ASP 52 Ca -0.00 0.54 0.32 0.00 0.43 0.00 0.00 52.55 53.83 1ywu s ASP 52 Cb 0.00 0.46 1.71 0.00 -0.30 0.00 0.00 42.92 44.80 1ywu s ASP 52 CO 0.01 -0.14 1.97 -0.65 -0.17 0.00 0.00 175.17 176.18 1ywu h PRO 53 N 6.72 0.00 0.00 4.34 0.11 -1.98 -1.86 132.00 139.32 1ywu h PRO 53 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1ywu h PRO 53 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ywu h PRO 53 CO 0.36 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.19 1ywu n GLN 54 N -2.61 0.11 -3.41 1.05 6.02 -1.26 -4.48 117.38 112.79 1ywu n GLN 54 Ca -0.02 0.25 -0.33 0.00 -0.01 0.00 0.00 57.00 56.89 1ywu n GLN 54 Cb 0.05 -1.67 -0.06 0.00 1.02 0.00 0.00 30.24 29.59 1ywu n GLN 54 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1ywu s ARG 55 N -3.12 3.86 0.49 -1.09 0.52 -0.70 -5.05 118.95 113.87 1ywu s ARG 55 Ca 0.08 0.34 -0.21 0.00 -0.52 0.00 0.00 55.73 55.42 1ywu s ARG 55 Cb 0.12 -2.79 -0.09 0.00 0.52 0.00 0.00 34.95 32.70 1ywu s ARG 55 CO 0.41 0.41 0.84 -2.30 0.02 0.00 0.00 175.30 174.67 1ywu n PRO 56 N 0.33 0.97 -5.14 3.54 -0.02 -1.26 -4.79 135.00 128.62 1ywu n PRO 56 Ca -0.03 0.36 -0.32 0.00 -2.02 0.00 0.00 63.50 61.49 1ywu n PRO 56 Cb 0.52 -1.93 -0.15 0.00 -0.02 0.00 0.00 33.50 31.92 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 -1.45 2.50 -0.22 6.00 0.08 0.40 -4.73 117.98 120.57 1ywu s PHE 57 Ca 0.67 -0.44 -0.08 0.00 0.12 0.00 0.00 56.93 57.21 1ywu s PHE 57 Cb -0.51 -1.58 -0.04 0.00 -0.57 0.00 0.00 43.02 40.32 1ywu s PHE 57 CO 0.54 -0.03 0.08 -1.21 -0.10 0.00 0.00 175.22 174.51 1ywu s GLU 58 N -0.48 3.88 -0.32 0.44 8.01 0.06 -0.42 118.70 129.87 1ywu s GLU 58 Ca 0.06 -0.38 -0.09 0.00 0.01 0.00 0.00 54.97 54.57 1ywu s GLU 58 Cb -0.11 -3.31 0.01 0.00 -4.31 0.00 0.00 34.13 26.41 1ywu s GLU 58 CO 0.01 0.07 0.14 0.00 0.01 0.00 0.00 175.26 175.50 1ywu s ALA 59 N 0.93 3.21 -0.21 5.21 0.00 -0.28 -1.58 121.76 129.04 1ywu s ALA 59 Ca 0.04 -1.49 -0.01 0.00 0.00 0.00 0.00 51.96 50.50 1ywu s ALA 59 Cb -0.14 -2.35 0.01 0.00 0.00 0.00 0.00 23.12 20.64 1ywu s ALA 59 CO 0.03 -1.03 -0.11 0.50 0.00 0.00 0.00 175.76 175.14 1ywu s ARG 60 N 1.56 3.11 -0.25 0.00 3.52 -0.68 -1.36 118.95 124.85 1ywu s ARG 60 Ca 0.03 -0.78 -0.07 0.00 -0.13 0.00 0.00 55.73 54.79 1ywu s ARG 60 Cb -0.18 -2.81 -0.02 0.00 -1.56 0.00 0.00 34.95 30.38 1ywu s ARG 60 CO 0.05 -0.24 0.05 -0.51 -0.81 0.00 0.00 175.30 173.84 1ywu s LEU 61 N 1.37 3.40 -0.31 -0.88 1.43 0.45 -1.74 118.68 122.39 1ywu s LEU 61 Ca 0.04 -0.33 -0.17 0.00 -1.03 0.00 0.00 54.13 52.64 1ywu s LEU 61 Cb -0.14 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 1ywu s LEU 61 CO -0.08 -0.06 0.47 -0.31 0.23 0.00 0.00 176.35 176.60 1ywu s TYR 62 N 1.57 3.22 -0.04 0.29 2.02 0.44 -1.28 117.35 123.57 1ywu s TYR 62 Ca 0.06 0.33 0.21 0.00 -0.37 0.00 0.00 57.07 57.29 1ywu s TYR 62 Cb -0.15 -2.77 -0.32 0.00 -0.40 0.00 0.00 41.96 38.31 1ywu s TYR 62 CO 0.02 -0.40 0.46 1.28 -1.57 0.00 0.00 175.55 175.34 1ywu n LEU 63 N 5.57 0.01 0.00 -1.29 4.77 -0.56 -2.68 117.00 122.83 1ywu n LEU 63 Ca -0.06 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1ywu n LEU 63 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1ywu n LEU 63 CO 0.42 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1ywu n GLY 64 N 1.33 2.25 0.11 -0.72 0.00 -1.06 -4.92 105.19 102.17 1ywu n GLY 64 Ca -0.04 -0.67 -0.17 0.00 0.00 0.00 0.00 46.02 45.15 1ywu n GLY 64 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ywu h LEU 65 N 0.00 0.43 0.02 0.99 6.46 -2.01 -3.39 115.31 117.81 1ywu h LEU 65 Ca 0.00 -0.50 -0.39 0.00 -0.12 0.00 0.00 57.88 56.87 1ywu h LEU 65 Cb 0.00 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 39.73 1ywu h LEU 65 CO 0.00 1.40 -2.22 -0.67 -0.62 0.00 0.00 178.44 176.33 1ywu n ASP 66 N -3.51 1.97 -4.55 1.25 -0.08 -1.26 -4.81 116.55 105.56 1ywu n ASP 66 Ca -0.11 0.20 -0.37 0.00 -1.51 0.00 0.00 54.79 52.99 1ywu n ASP 66 Cb 1.03 -0.73 -0.03 0.00 2.34 0.00 0.00 41.12 43.73 1ywu n ASP 66 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1ywu s VAL 67 N -2.49 3.41 -0.18 5.18 1.01 -1.26 -4.91 120.40 121.16 1ywu s VAL 67 Ca -0.34 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1ywu s VAL 67 Cb 0.10 -4.06 0.05 0.00 0.00 0.00 0.00 36.38 32.47 1ywu s VAL 67 CO 0.58 -1.02 -0.03 -0.22 0.00 0.00 0.00 175.10 174.41 1ywu s LEU 68 N 8.87 1.63 -0.46 3.92 2.96 -1.26 -1.49 118.68 132.85 1ywu s LEU 68 Ca 0.64 -0.77 -0.19 0.00 -0.22 0.00 0.00 54.13 53.59 1ywu s LEU 68 Cb -0.11 -0.86 0.04 0.00 0.50 0.00 0.00 46.19 45.76 1ywu s LEU 68 CO 0.16 -0.23 0.58 -0.63 -1.32 0.00 0.00 176.35 174.91 1ywu s ILE 69 N 1.66 4.92 -0.14 6.68 1.09 -0.40 -4.95 121.20 130.07 1ywu s ILE 69 Ca -0.01 -0.29 0.00 0.00 -1.10 0.00 0.00 60.65 59.25 1ywu s ILE 69 Cb -0.16 -4.20 -0.01 0.00 -1.06 0.00 0.00 42.46 37.03 1ywu s ILE 69 CO -0.07 -0.65 -0.14 0.00 -0.10 0.00 0.00 174.94 173.98 1ywu s ARG 70 N 2.54 3.30 0.06 2.79 3.03 -1.26 -0.41 118.95 129.00 1ywu s ARG 70 Ca 0.16 -0.72 0.01 0.00 2.03 0.00 0.00 55.73 57.22 1ywu s ARG 70 Cb -0.17 -2.62 -0.03 0.00 -1.03 0.00 0.00 34.95 31.09 1ywu s ARG 70 CO 0.14 0.12 -0.06 0.00 -1.13 0.00 0.00 175.30 174.37 1ywu s MET 71 N 0.56 0.60 -0.23 3.89 0.23 -0.46 -4.75 119.30 119.15 1ywu s MET 71 Ca -0.09 -0.97 -0.04 0.00 -1.03 0.00 0.00 55.69 53.56 1ywu s MET 71 Cb -0.16 -0.15 -0.01 0.00 -1.53 0.00 0.00 34.83 32.98 1ywu s MET 71 CO 0.04 -0.00 -0.03 -2.00 -2.03 0.00 0.00 175.02 170.99 1ywu s GLU 72 N -2.54 3.36 0.26 3.16 2.12 -0.51 -1.12 118.70 123.44 1ywu s GLU 72 Ca -0.02 -0.64 0.09 0.00 0.36 0.00 0.00 54.97 54.76 1ywu s GLU 72 Cb -0.03 -3.04 -0.05 0.00 0.26 0.00 0.00 34.13 31.27 1ywu s GLU 72 CO -0.03 -0.21 -0.14 0.96 -0.54 0.00 0.00 175.26 175.30 1ywu s ILE 73 N 1.48 2.05 -0.12 -3.70 -4.36 0.44 -0.32 121.20 116.67 1ywu s ILE 73 Ca 0.05 -2.27 0.02 0.00 -0.26 0.00 0.00 60.65 58.20 1ywu s ILE 73 Cb -0.14 -2.28 0.01 0.00 1.25 0.00 0.00 42.46 41.29 1ywu s ILE 73 CO -0.03 -0.42 -0.19 -0.94 0.24 0.00 0.00 174.94 173.60 1ywu s SER 74 N -3.45 2.77 0.03 4.36 1.04 -0.08 -0.45 113.70 117.93 1ywu s SER 74 Ca 0.28 -0.51 -0.30 0.00 0.48 0.00 0.00 55.95 55.89 1ywu s SER 74 Cb -0.01 -1.27 -0.08 0.00 0.10 0.00 0.00 66.02 64.76 1ywu s SER 74 CO 0.12 0.06 1.77 -0.22 0.98 0.00 0.00 173.24 175.96 1ywu s LEU 75 N 0.80 4.38 -0.20 2.42 2.96 -1.26 -0.40 118.68 127.38 1ywu s LEU 75 Ca -0.09 2.51 -0.16 0.00 -0.22 0.00 0.00 54.13 56.17 1ywu s LEU 75 Cb -0.16 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.89 1ywu s LEU 75 CO 0.00 -0.96 -0.18 0.00 -1.32 0.00 0.00 176.35 173.88 1ywu n ALA 76 N 6.65 0.84 -3.11 5.97 0.00 -0.57 -4.86 120.51 125.43 1ywu n ALA 76 Ca 0.18 -0.72 -0.12 0.00 0.00 0.00 0.00 53.44 52.77 1ywu n ALA 76 Cb 0.41 -0.08 -0.11 0.00 0.00 0.00 0.00 19.45 19.67 1ywu n ALA 76 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1ywu s TRP 77 N -2.52 -0.13 -0.11 0.00 1.48 -0.91 -5.03 118.94 111.71 1ywu s TRP 77 Ca -0.28 0.28 -0.00 0.00 -1.06 0.00 0.00 56.10 55.04 1ywu s TRP 77 Cb 0.07 0.04 0.03 0.00 -1.16 0.00 0.00 33.47 32.44 1ywu s TRP 77 CO 0.43 -0.21 -0.07 0.00 -4.06 0.00 0.00 176.95 173.05 1ywu s ALA 78 N -0.58 1.30 -0.30 2.67 0.00 -1.26 -0.42 121.76 123.17 1ywu s ALA 78 Ca -0.07 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.37 1ywu s ALA 78 Cb -0.04 -0.91 0.09 0.00 0.00 0.00 0.00 23.12 22.25 1ywu s ALA 78 CO 0.01 -0.44 0.03 1.03 0.00 0.00 0.00 175.76 176.40 1ywu s ARG 79 N 1.72 1.29 0.82 0.00 1.81 0.40 -4.99 118.95 119.99 1ywu s ARG 79 Ca 0.05 -1.36 0.00 0.00 -1.72 0.00 0.00 55.73 52.70 1ywu s ARG 79 Cb -0.13 -2.64 0.00 0.00 -0.45 0.00 0.00 34.95 31.74 1ywu s ARG 79 CO -0.08 -0.85 0.00 -0.25 -0.68 0.00 0.00 175.30 173.44 1ywu n ASP 80 N 4.57 0.00 0.00 0.23 8.00 -1.26 -0.91 116.55 127.18 1ywu n ASP 80 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1ywu n ASP 80 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 1ywu n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ywu n GLY 81 N 0.00 0.31 3.48 0.44 0.00 -1.26 -4.97 105.19 103.19 1ywu n GLY 81 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.63 3.54 -0.11 0.99 1.43 -0.09 -2.91 118.68 120.90 1ywu s LEU 82 Ca 0.00 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 1ywu s LEU 82 Cb 0.00 -1.95 -0.00 0.00 0.03 0.00 0.00 46.19 44.27 1ywu s LEU 82 CO 0.00 -0.01 -0.22 -0.76 0.23 0.00 0.00 176.35 175.59 1ywu s LEU 83 N 1.49 2.19 -0.25 1.79 1.02 -0.31 -0.45 118.68 124.16 1ywu s LEU 83 Ca 0.06 -0.53 -0.07 0.00 0.02 0.00 0.00 54.13 53.61 1ywu s LEU 83 Cb -0.15 -1.45 -0.02 0.00 0.02 0.00 0.00 46.19 44.59 1ywu s LEU 83 CO 0.04 0.14 0.06 -0.83 0.02 0.00 0.00 176.35 175.79 1ywu s GLY 84 N 0.44 1.75 -0.10 -3.19 0.00 0.44 -1.80 107.32 104.87 1ywu s GLY 84 Ca -0.15 -1.19 -0.02 0.00 0.00 0.00 0.00 44.72 43.36 1ywu s GLY 84 CO 0.06 0.55 0.00 -1.36 0.00 0.00 0.00 173.10 172.35 1ywu s PHE 85 N 1.59 3.16 -0.07 1.90 0.08 -0.13 -1.51 117.98 122.99 1ywu s PHE 85 Ca 0.06 0.14 -0.27 0.00 0.12 0.00 0.00 56.93 56.98 1ywu s PHE 85 Cb -0.15 -1.82 -0.02 0.00 -0.57 0.00 0.00 43.02 40.45 1ywu s PHE 85 CO 0.03 0.41 0.88 -1.21 -0.10 0.00 0.00 175.22 175.22 1ywu s GLU 86 N -0.69 4.44 -0.57 0.44 0.41 0.47 -1.05 118.70 122.15 1ywu s GLU 86 Ca 0.11 1.18 -0.27 0.00 -0.41 0.00 0.00 54.97 55.58 1ywu s GLU 86 Cb -0.12 -3.50 -0.01 0.00 -1.78 0.00 0.00 34.13 28.73 1ywu s GLU 86 CO 0.02 -0.13 1.71 0.00 -0.49 0.00 0.00 175.26 176.37 1ywu h GLN 88 N 13.41 0.00 -4.13 0.00 4.15 -1.80 -3.45 115.11 123.30 1ywu h GLN 88 Ca -0.27 0.00 -0.62 0.00 0.77 0.00 0.00 58.65 58.53 1ywu h GLN 88 Cb 1.14 0.00 -0.40 0.00 0.21 0.00 0.00 27.48 28.43 1ywu h GLN 88 CO 1.19 0.22 -0.74 -1.58 -1.93 0.00 0.00 178.83 175.98 1ywu s HIS 89 N -2.05 2.64 -0.30 3.99 5.04 0.57 -5.03 115.29 120.16 1ywu s HIS 89 Ca -0.13 -2.26 -0.02 0.00 -1.54 0.00 0.00 55.06 51.11 1ywu s HIS 89 Cb 0.02 -2.19 0.04 0.00 0.04 0.00 0.00 32.58 30.48 1ywu s HIS 89 CO 0.24 -0.89 0.00 0.42 -2.34 0.00 0.00 174.74 172.17 1ywu s ILE 90 N 1.30 3.10 0.81 0.89 1.09 -1.26 -1.42 121.20 125.71 1ywu s ILE 90 Ca 0.08 -1.27 -0.12 0.00 -1.10 0.00 0.00 60.65 58.25 1ywu s ILE 90 Cb -0.18 -2.74 0.08 0.00 -1.06 0.00 0.00 42.46 38.56 1ywu s ILE 90 CO -0.16 -0.06 1.16 1.51 -0.10 0.00 0.00 174.94 177.30 1ywu s ASP 91 N 1.29 4.44 0.39 3.58 -4.77 -1.26 -4.82 116.67 115.52 1ywu s ASP 91 Ca -0.04 0.87 0.09 0.00 -3.30 0.00 0.00 52.55 50.17 1ywu s ASP 91 Cb -0.19 -1.42 0.79 0.00 -1.09 0.00 0.00 42.92 41.02 1ywu s ASP 91 CO -0.01 -1.96 1.94 0.17 0.70 0.00 0.00 175.17 176.02 1ywu h LEU 92 N -1.09 0.29 -0.54 2.11 8.10 -1.99 -1.12 115.31 121.07 1ywu h LEU 92 Ca -0.47 -0.05 -0.16 0.00 0.11 0.00 0.00 57.88 57.32 1ywu h LEU 92 Cb 1.32 -0.07 -0.01 0.00 -0.44 0.00 0.00 40.66 41.46 1ywu h LEU 92 CO 0.65 0.38 -0.57 -0.78 -4.11 0.00 0.00 178.44 174.01 1ywu h ASP 93 N 0.30 0.55 -0.15 0.17 3.58 -1.98 -0.18 116.42 118.71 1ywu h ASP 93 Ca 0.07 -0.30 -0.03 0.00 0.42 0.00 0.00 57.03 57.19 1ywu h ASP 93 Cb 0.28 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.17 1ywu h ASP 93 CO 0.01 1.00 -0.03 -1.28 -2.88 0.00 0.00 179.24 176.06 1ywu h SER 94 N 0.37 0.29 -0.78 2.28 0.87 -1.68 -2.07 113.55 112.84 1ywu h SER 94 Ca 0.00 -0.36 -0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1ywu h SER 94 Cb 1.11 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.95 1ywu h SER 94 CO 0.10 0.59 0.48 0.40 -0.53 0.00 0.00 176.83 177.87 1ywu h ILE 95 N -0.01 1.21 0.21 2.23 2.04 -1.12 0.12 117.51 122.19 1ywu h ILE 95 Ca 0.04 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1ywu h ILE 95 Cb 0.46 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1ywu h ILE 95 CO 0.01 0.22 -0.10 -1.28 0.00 0.00 0.00 178.15 177.00 1ywu h SER 96 N 1.06 -0.24 -0.25 1.72 0.87 -0.91 0.12 113.55 115.92 1ywu h SER 96 Ca 0.28 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 1ywu h SER 96 Cb -0.07 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1ywu h SER 96 CO -0.06 -0.17 0.13 0.45 -0.53 0.00 0.00 176.83 176.65 1ywu h HIS 97 N -0.28 0.35 0.56 2.24 3.86 -1.18 -2.63 115.15 118.06 1ywu h HIS 97 Ca -0.03 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 1ywu h HIS 97 Cb 0.22 -0.11 0.01 0.00 1.06 0.00 0.00 27.41 28.58 1ywu h HIS 97 CO -0.06 0.31 -0.27 1.25 0.86 0.00 0.00 177.93 180.02 1ywu h LEU 98 N 0.28 -0.63 -0.73 2.43 5.85 -0.54 -1.78 115.31 120.18 1ywu h LEU 98 Ca 0.09 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 1ywu h LEU 98 Cb 0.09 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1ywu h LEU 98 CO -0.01 -0.39 -0.04 -0.09 -0.34 0.00 0.00 178.44 177.57 1ywu h ARG 99 N -0.84 0.94 0.00 1.25 2.43 -0.83 -2.13 114.38 115.19 1ywu h ARG 99 Ca -0.08 -0.30 -0.06 0.00 -0.81 0.00 0.00 59.98 58.74 1ywu h ARG 99 Cb 0.61 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1ywu h ARG 99 CO 0.13 0.95 -0.28 0.00 -1.51 0.00 0.00 179.97 179.26 1ywu h ARG 100 N 0.86 0.00 -0.46 0.20 3.08 -1.45 0.15 114.38 116.76 1ywu h ARG 100 Ca 0.15 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.07 1ywu h ARG 100 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1ywu h ARG 100 CO 0.03 0.28 -0.23 1.25 -1.07 0.00 0.00 179.97 180.22 1ywu h LEU 101 N 0.00 0.97 -0.53 3.04 5.85 -0.67 0.14 115.31 124.11 1ywu h LEU 101 Ca -0.00 -0.37 -0.12 0.00 0.84 0.00 0.00 57.88 58.23 1ywu h LEU 101 Cb 0.64 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1ywu h LEU 101 CO 0.04 1.16 -0.13 0.58 -0.34 0.00 0.00 178.44 179.74 1ywu h VAL 102 N 0.81 1.27 -0.72 1.05 2.07 -1.01 -2.92 116.25 116.80 1ywu h VAL 102 Ca 0.10 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.30 1ywu h VAL 102 Cb 0.80 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1ywu h VAL 102 CO 0.07 0.46 0.34 -0.08 0.02 0.00 0.00 177.57 178.38 1ywu h GLU 103 N 0.90 1.04 -0.46 1.57 4.81 -0.41 0.54 114.58 122.57 1ywu h GLU 103 Ca 0.14 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1ywu h GLU 103 Cb 0.70 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1ywu h GLU 103 CO 0.05 0.82 0.15 -0.07 -0.73 0.00 0.00 179.01 179.23 1ywu h LEU 104 N 1.01 0.61 -1.44 1.64 3.38 -0.68 -1.96 115.31 117.86 1ywu h LEU 104 Ca 0.25 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ywu h LEU 104 Cb 0.12 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1ywu h LEU 104 CO -0.03 0.58 0.00 0.59 0.09 0.00 0.00 178.44 179.67 1ywu n ASN 105 N -4.33 2.20 -3.53 -0.43 3.02 -0.93 -4.93 115.26 106.32 1ywu n ASN 105 Ca 0.03 -1.76 -0.26 0.00 -0.03 0.00 0.00 54.58 52.57 1ywu n ASN 105 Cb 0.18 -0.09 0.04 0.00 -0.61 0.00 0.00 39.78 39.29 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 0.68 -2.64 0.22 3.41 4.77 -0.09 -4.87 117.00 118.48 1ywu n LEU 106 Ca 0.17 -0.54 0.07 0.00 -0.03 0.00 0.00 56.01 55.68 1ywu n LEU 106 Cb 0.43 -2.72 0.51 0.00 -2.33 0.00 0.00 43.42 39.31 1ywu n LEU 106 CO 0.15 0.41 0.84 1.23 -1.33 0.00 0.00 177.39 178.69 1ywu h GLY 107 N -1.91 0.00 -1.66 -0.72 0.00 -1.25 -3.49 103.07 94.04 1ywu h GLY 107 Ca -0.54 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.80 1ywu h GLY 107 CO 0.60 0.00 -0.44 1.34 0.00 0.00 0.00 176.54 178.04 1ywu n ASP 108 N -3.91 -3.76 -0.28 0.19 -0.08 -1.26 -4.66 116.55 102.78 1ywu n ASP 108 Ca -0.02 0.83 0.14 0.00 -1.51 0.00 0.00 54.79 54.23 1ywu n ASP 108 Cb 0.33 -1.74 0.60 0.00 2.34 0.00 0.00 41.12 42.65 1ywu n ASP 108 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1ywu n GLU 109 N -2.06 1.23 -0.25 -0.67 1.02 -1.26 -3.61 120.64 115.05 1ywu n GLU 109 Ca -0.00 -0.57 -0.01 0.00 -0.02 0.00 0.00 57.16 56.56 1ywu n GLU 109 Cb 0.22 -1.49 0.11 0.00 -0.02 0.00 0.00 31.44 30.27 1ywu n GLU 109 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ywu h GLU 110 N 1.40 0.71 -0.08 3.49 5.08 -1.94 0.20 114.58 123.43 1ywu h GLU 110 Ca 0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1ywu h GLU 110 Cb 0.38 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1ywu h GLU 110 CO 0.00 0.47 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.31 1ywu h LEU 111 N 0.73 0.11 -1.50 1.33 3.38 -1.83 -2.23 115.31 115.29 1ywu h LEU 111 Ca 0.32 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1ywu h LEU 111 Cb 0.22 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1ywu h LEU 111 CO -0.20 0.23 0.00 0.18 0.09 0.00 0.00 178.44 178.75 1ywu n LEU 112 N -4.35 2.31 -0.97 1.67 4.77 -0.02 -4.26 117.00 116.14 1ywu n LEU 112 Ca -0.02 -0.85 0.05 0.00 -0.03 0.00 0.00 56.01 55.16 1ywu n LEU 112 Cb 0.21 -0.06 0.09 0.00 -2.33 0.00 0.00 43.42 41.34 1ywu n LEU 112 CO 0.36 0.42 0.22 -0.62 -1.33 0.00 0.00 177.39 176.45 1ywu n GLU 113 N 0.78 0.66 0.00 3.23 1.02 0.51 -3.90 120.64 122.93 1ywu n GLU 113 Ca 0.17 -2.40 0.00 0.00 -0.02 0.00 0.00 57.16 54.91 1ywu n GLU 113 Cb 0.47 -0.74 0.00 0.00 -0.02 0.00 0.00 31.44 31.15 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 -0.27 0.00 -3.63 3.49 1.74 -1.18 -4.99 116.66 111.82 1ywu n ARG 114 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1ywu n ARG 114 Cb 0.90 -0.02 -0.01 0.00 -1.02 0.00 0.00 32.46 32.32 1ywu n ARG 114 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1ywu s GLU 115 N 0.00 0.48 0.04 5.56 0.41 -1.26 -4.94 118.70 118.98 1ywu s GLU 115 Ca 0.00 -0.25 -0.24 0.00 -0.41 0.00 0.00 54.97 54.06 1ywu s GLU 115 Cb 0.00 0.17 -0.17 0.00 -1.78 0.00 0.00 34.13 32.34 1ywu s GLU 115 CO 0.00 -0.22 1.50 1.25 -0.49 0.00 0.00 175.26 177.31 1ywu h LEU 116 N 2.00 0.01 -1.91 1.80 5.85 -1.95 -0.87 115.31 120.24 1ywu h LEU 116 Ca -0.27 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1ywu h LEU 116 Cb 1.20 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1ywu h LEU 116 CO 0.27 0.25 0.00 0.00 -0.34 0.00 0.00 178.44 178.62 1ywu h ALA 117 N 0.76 1.00 -0.12 1.25 0.00 -1.97 -1.38 119.26 118.80 1ywu h ALA 117 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ywu h ALA 117 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ywu h ALA 117 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1ywu n LEU 118 N -2.91 2.44 -4.45 0.00 4.77 -0.93 -4.84 117.00 111.07 1ywu n LEU 118 Ca -0.01 -0.91 -0.43 0.00 -0.03 0.00 0.00 56.01 54.63 1ywu n LEU 118 Cb 0.19 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 1ywu n LEU 118 CO 0.22 0.45 0.06 -0.22 -1.33 0.00 0.00 177.39 176.58 1ywu s LEU 119 N -1.82 5.10 0.69 2.23 2.96 -0.38 -4.66 118.68 122.80 1ywu s LEU 119 Ca 0.34 -0.89 -0.04 0.00 -0.22 0.00 0.00 54.13 53.31 1ywu s LEU 119 Cb 0.20 -2.29 0.08 0.00 0.50 0.00 0.00 46.19 44.68 1ywu s LEU 119 CO 0.31 -0.59 0.98 0.68 -1.32 0.00 0.00 176.35 176.41 1ywu s VAL 120 N 1.96 2.32 0.45 1.68 -7.23 -1.26 -4.99 120.40 113.32 1ywu s VAL 120 Ca 0.09 -0.40 0.08 0.00 -1.81 0.00 0.00 61.98 59.94 1ywu s VAL 120 Cb -0.19 -2.92 0.02 0.00 0.56 0.00 0.00 36.38 33.85 1ywu s VAL 120 CO 0.11 0.00 0.59 -0.94 -0.31 0.00 0.00 175.10 174.55 1ywu s SER 121 N -4.56 5.48 0.32 4.85 1.04 -1.26 -4.82 113.70 114.75 1ywu s SER 121 Ca 0.62 -0.55 0.13 0.00 0.48 0.00 0.00 55.95 56.63 1ywu s SER 121 Cb -0.09 -0.46 0.72 0.00 0.10 0.00 0.00 66.02 66.29 1ywu s SER 121 CO 0.44 -0.86 1.31 0.00 0.98 0.00 0.00 173.24 175.10 1ywu n ALA 122 N -1.89 0.64 0.84 5.32 0.00 -1.26 -0.32 120.51 123.85 1ywu n ALA 122 Ca 0.09 0.12 0.10 0.00 0.00 0.00 0.00 53.44 53.75 1ywu n ALA 122 Cb 0.60 -0.81 0.04 0.00 0.00 0.00 0.00 19.45 19.28 1ywu n ALA 122 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1ywu n HIS 123 N -2.05 0.00 -3.25 0.00 1.44 -1.26 -4.80 115.22 105.31 1ywu n HIS 123 Ca -0.01 0.00 -0.46 0.00 -2.01 0.00 0.00 57.72 55.24 1ywu n HIS 123 Cb 0.31 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.40 1ywu n HIS 123 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1ywu s ASP 124 N -1.91 6.81 0.00 4.39 1.11 0.57 -5.23 116.67 122.40 1ywu s ASP 124 Ca 0.20 -2.68 0.24 0.00 0.18 0.00 0.00 52.55 50.48 1ywu s ASP 124 Cb 0.16 -2.25 0.19 0.00 1.07 0.00 0.00 42.92 42.09 1ywu s ASP 124 CO 0.36 -0.64 1.25 -0.90 1.18 0.00 0.00 175.17 176.42