#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 2.02 -4.23 7.83 2.88 -1.26 -4.89 113.62 115.97 1ywu n SER 2 Ca 0.00 0.16 -0.33 0.00 -1.33 0.00 0.00 58.87 57.37 1ywu n SER 2 Cb 0.00 -0.75 -0.16 0.00 -0.75 0.00 0.00 64.21 62.56 1ywu n SER 2 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ywu s ASP 3 N -6.92 3.48 -0.33 -3.46 -1.08 -1.26 -5.09 116.67 102.01 1ywu s ASP 3 Ca -0.29 -0.52 0.03 0.00 -0.52 0.00 0.00 52.55 51.25 1ywu s ASP 3 Cb 0.08 -1.53 0.10 0.00 -1.46 0.00 0.00 42.92 40.11 1ywu s ASP 3 CO 0.65 0.08 0.04 -1.10 0.52 0.00 0.00 175.17 175.36 1ywu s GLN 4 N 0.84 1.47 -0.65 4.34 -0.21 -1.26 -4.97 119.66 119.21 1ywu s GLN 4 Ca -0.05 -1.72 0.06 0.00 0.02 0.00 0.00 55.36 53.67 1ywu s GLN 4 Cb -0.15 -3.03 0.23 0.00 1.00 0.00 0.00 33.01 31.06 1ywu s GLN 4 CO -0.01 -0.90 0.66 1.58 -2.12 0.00 0.00 175.29 174.50 1ywu n HIS 5 N 4.35 3.37 1.03 0.91 -0.00 -1.26 -4.93 115.22 118.68 1ywu n HIS 5 Ca 0.01 -4.18 0.10 0.00 0.46 0.00 0.00 57.72 54.11 1ywu n HIS 5 Cb 0.42 -0.56 0.52 0.00 -0.12 0.00 0.00 29.99 30.25 1ywu n HIS 5 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1ywu n ASP 6 N 1.21 0.00 -0.34 0.26 8.00 -1.26 -3.30 116.55 121.13 1ywu n ASP 6 Ca 0.27 -0.22 0.15 0.00 0.71 0.00 0.00 54.79 55.69 1ywu n ASP 6 Cb 0.40 -0.18 0.34 0.00 -0.02 0.00 0.00 41.12 41.66 1ywu n ASP 6 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1ywu h GLU 7 N 0.00 0.59 -0.02 -1.24 4.81 -2.02 -1.34 114.58 115.36 1ywu h GLU 7 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1ywu h GLU 7 Cb 0.11 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1ywu h GLU 7 CO 0.00 0.39 -0.38 0.54 -0.73 0.00 0.00 179.01 178.83 1ywu n ARG 8 N -4.88 1.44 -3.08 1.92 5.12 -1.21 -4.95 116.66 111.03 1ywu n ARG 8 Ca 0.24 -1.07 -0.23 0.00 -1.93 0.00 0.00 57.85 54.86 1ywu n ARG 8 Cb 0.65 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.53 1ywu n ARG 8 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1ywu s ARG 9 N -2.25 3.19 0.00 5.56 0.52 -0.51 -5.10 118.95 120.36 1ywu s ARG 9 Ca 0.18 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 54.96 1ywu s ARG 9 Cb 0.17 -2.58 0.00 0.00 0.52 0.00 0.00 34.95 33.06 1ywu s ARG 9 CO 0.49 -0.16 0.00 0.54 0.02 0.00 0.00 175.30 176.20 1ywu n ARG 10 N -2.00 1.50 -1.90 3.54 1.74 -1.26 -4.95 116.66 113.33 1ywu n ARG 10 Ca -0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 1ywu n ARG 10 Cb 0.57 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.97 1ywu n ARG 10 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1ywu n PHE 11 N 0.00 3.02 -2.18 -1.55 3.72 -1.26 -4.89 117.46 114.32 1ywu n PHE 11 Ca 0.00 -2.02 -0.36 0.00 -0.05 0.00 0.00 57.45 55.01 1ywu n PHE 11 Cb 0.00 -2.38 -0.03 0.00 -0.94 0.00 0.00 39.48 36.12 1ywu n PHE 11 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 176.76 173.33 1ywu s HIS 12 N 7.11 1.88 0.00 1.38 -3.43 -1.26 -4.94 115.29 116.03 1ywu s HIS 12 Ca 0.60 0.46 0.03 0.00 -0.80 0.00 0.00 55.06 55.35 1ywu s HIS 12 Cb 0.06 -4.23 -0.01 0.00 -1.43 0.00 0.00 32.58 26.97 1ywu s HIS 12 CO 0.09 -2.10 -0.10 -0.98 -2.00 0.00 0.00 174.74 169.65 1ywu s ARG 13 N 6.62 0.81 -1.02 -0.38 1.04 -1.26 -5.07 118.95 119.69 1ywu s ARG 13 Ca 0.60 -0.43 -0.22 0.00 -1.04 0.00 0.00 55.73 54.65 1ywu s ARG 13 Cb -0.09 -0.78 0.07 0.00 -2.04 0.00 0.00 34.95 32.11 1ywu s ARG 13 CO 0.12 0.21 1.40 0.42 -0.04 0.00 0.00 175.30 177.41 1ywu s ILE 14 N -0.37 4.13 -0.29 4.99 -1.09 -1.26 -4.80 121.20 122.50 1ywu s ILE 14 Ca 0.03 -1.05 -0.16 0.00 -2.23 0.00 0.00 60.65 57.24 1ywu s ILE 14 Cb -0.05 -5.01 0.16 0.00 -1.58 0.00 0.00 42.46 35.99 1ywu s ILE 14 CO -0.00 -1.85 1.03 0.00 -1.23 0.00 0.00 174.94 172.89 1ywu s ALA 15 N 4.37 -2.50 -2.05 9.38 0.00 -1.26 -2.78 121.76 126.93 1ywu s ALA 15 Ca 0.44 2.11 0.17 0.00 0.00 0.00 0.00 51.96 54.68 1ywu s ALA 15 Cb -0.01 -1.87 0.48 0.00 0.00 0.00 0.00 23.12 21.72 1ywu s ALA 15 CO -0.08 -0.55 1.40 1.19 0.00 0.00 0.00 175.76 177.71 1ywu n PHE 16 N 4.05 0.66 -3.02 0.00 3.72 -1.26 -4.96 117.46 116.65 1ywu n PHE 16 Ca -0.15 -0.33 -0.15 0.00 -0.05 0.00 0.00 57.45 56.77 1ywu n PHE 16 Cb 0.56 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.11 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 1.02 -7.28 -3.99 4.37 -0.08 -1.26 -5.04 116.55 104.28 1ywu n ASP 17 Ca 0.18 0.44 -0.19 0.00 -1.51 0.00 0.00 54.79 53.70 1ywu n ASP 17 Cb 0.45 -4.28 -0.09 0.00 2.34 0.00 0.00 41.12 39.53 1ywu n ASP 17 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ywu s ALA 18 N -2.16 2.05 -0.50 -1.67 0.00 -1.26 -5.10 121.76 113.12 1ywu s ALA 18 Ca 0.25 -1.73 -0.28 0.00 0.00 0.00 0.00 51.96 50.20 1ywu s ALA 18 Cb -0.05 1.11 0.03 0.00 0.00 0.00 0.00 23.12 24.21 1ywu s ALA 18 CO 0.77 -0.49 1.10 -0.51 0.00 0.00 0.00 175.76 176.63 1ywu s ASP 19 N -3.40 6.55 -0.18 0.00 1.11 -1.16 -4.60 116.67 114.99 1ywu s ASP 19 Ca 0.35 0.28 0.00 0.00 0.18 0.00 0.00 52.55 53.35 1ywu s ASP 19 Cb 0.05 -2.53 0.01 0.00 1.07 0.00 0.00 42.92 41.53 1ywu s ASP 19 CO 0.18 -1.27 -0.17 -0.94 1.18 0.00 0.00 175.17 174.15 1ywu s SER 20 N 2.56 3.35 -0.07 0.27 1.04 -1.26 -0.31 113.70 119.29 1ywu s SER 20 Ca 0.44 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 56.31 1ywu s SER 20 Cb -0.08 -1.53 -0.02 0.00 0.10 0.00 0.00 66.02 64.49 1ywu s SER 20 CO 0.29 0.00 -0.17 -1.61 0.98 0.00 0.00 173.24 172.73 1ywu s GLU 21 N 1.29 2.71 -0.28 4.02 2.02 -0.39 -0.64 118.70 127.43 1ywu s GLU 21 Ca 0.04 -0.75 -0.09 0.00 0.02 0.00 0.00 54.97 54.19 1ywu s GLU 21 Cb -0.13 -2.38 -0.03 0.00 0.10 0.00 0.00 34.13 31.69 1ywu s GLU 21 CO -0.10 0.47 0.14 0.42 0.02 0.00 0.00 175.26 176.20 1ywu s ILE 22 N -0.34 4.77 -0.36 -1.63 1.01 0.47 -0.69 121.20 124.42 1ywu s ILE 22 Ca 0.03 -0.10 -0.14 0.00 0.00 0.00 0.00 60.65 60.43 1ywu s ILE 22 Cb -0.13 -3.30 -0.00 0.00 0.01 0.00 0.00 42.46 39.04 1ywu s ILE 22 CO 0.02 0.24 0.30 -0.76 0.00 0.00 0.00 174.94 174.74 1ywu s LEU 23 N 1.67 4.67 -1.18 2.97 1.43 -0.15 -0.99 118.68 127.10 1ywu s LEU 23 Ca 0.06 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.53 1ywu s LEU 23 Cb -0.16 -2.21 0.21 0.00 0.03 0.00 0.00 46.19 44.06 1ywu s LEU 23 CO 0.07 -0.34 1.34 1.67 0.23 0.00 0.00 176.35 179.32 1ywu n GLN 24 N 5.23 3.43 0.00 1.70 7.27 0.44 -1.77 117.38 133.68 1ywu n GLN 24 Ca -0.11 -4.05 0.00 0.00 0.07 0.00 0.00 57.00 52.91 1ywu n GLN 24 Cb 0.49 -2.88 0.00 0.00 2.41 0.00 0.00 30.24 30.26 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 3.61 1.35 0.00 1.69 0.00 -1.25 -2.38 105.19 108.20 1ywu n GLY 25 Ca 0.33 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1ywu n GLY 25 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ywu n GLU 26 N 0.00 3.72 -3.27 1.61 0.28 -1.26 -5.05 120.64 116.66 1ywu n GLU 26 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.62 1ywu n GLU 26 Cb 0.00 -0.69 -0.06 0.00 1.43 0.00 0.00 31.44 32.12 1ywu n GLU 26 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1ywu s ARG 27 N -0.76 4.34 -0.22 3.44 6.06 -1.00 -5.04 118.95 125.77 1ywu s ARG 27 Ca 0.00 0.50 -0.05 0.00 -2.50 0.00 0.00 55.73 53.68 1ywu s ARG 27 Cb 0.00 -3.45 -0.02 0.00 0.06 0.00 0.00 34.95 31.55 1ywu s ARG 27 CO 0.00 0.13 -0.00 1.03 -2.50 0.00 0.00 175.30 173.95 1ywu s ARG 28 N 0.71 3.53 -0.21 5.12 0.52 -1.26 -0.42 118.95 126.94 1ywu s ARG 28 Ca 0.27 -0.55 -0.05 0.00 -0.52 0.00 0.00 55.73 54.88 1ywu s ARG 28 Cb -0.15 -3.10 -0.02 0.00 0.52 0.00 0.00 34.95 32.19 1ywu s ARG 28 CO 0.11 -0.12 0.01 -1.58 0.02 0.00 0.00 175.30 173.74 1ywu s TRP 29 N 1.33 3.04 -0.65 -0.53 0.51 -0.16 -4.95 118.94 117.52 1ywu s TRP 29 Ca 0.04 -0.50 -0.27 0.00 -2.12 0.00 0.00 56.10 53.25 1ywu s TRP 29 Cb -0.15 -2.11 0.03 0.00 -0.81 0.00 0.00 33.47 30.43 1ywu s TRP 29 CO 0.00 -0.29 1.22 -2.00 -0.51 0.00 0.00 176.95 175.37 1ywu s GLU 30 N 1.16 3.35 0.27 4.98 2.12 -1.26 -0.40 118.70 128.92 1ywu s GLU 30 Ca 0.03 -0.01 0.07 0.00 0.36 0.00 0.00 54.97 55.42 1ywu s GLU 30 Cb -0.14 -4.10 -0.03 0.00 0.26 0.00 0.00 34.13 30.12 1ywu s GLU 30 CO 0.01 -1.89 0.22 0.54 -0.54 0.00 0.00 175.26 173.60 1ywu s VAL 31 N 5.26 4.29 -0.34 3.70 0.11 0.18 -5.00 120.40 128.60 1ywu s VAL 31 Ca 0.39 -1.38 -0.15 0.00 -2.93 0.00 0.00 61.98 57.90 1ywu s VAL 31 Cb -0.08 -3.37 -0.01 0.00 -1.53 0.00 0.00 36.38 31.38 1ywu s VAL 31 CO 0.20 -0.31 0.35 -0.76 -3.33 0.00 0.00 175.10 171.25 1ywu s LEU 32 N -3.88 4.43 0.35 2.54 1.02 -1.06 -4.03 118.68 118.05 1ywu s LEU 32 Ca 0.35 -0.24 -0.29 0.00 0.02 0.00 0.00 54.13 53.97 1ywu s LEU 32 Cb -0.07 -2.32 -0.11 0.00 0.02 0.00 0.00 46.19 43.70 1ywu s LEU 32 CO 0.25 -0.32 1.53 -0.22 0.02 0.00 0.00 176.35 177.61 1ywu s LEU 33 N 1.99 4.32 0.00 1.79 2.96 -1.26 -1.95 118.68 126.53 1ywu s LEU 33 Ca 0.11 3.03 0.00 0.00 -0.22 0.00 0.00 54.13 57.06 1ywu s LEU 33 Cb -0.17 -3.66 0.00 0.00 0.50 0.00 0.00 46.19 42.87 1ywu s LEU 33 CO 0.11 -0.90 0.00 1.57 -1.32 0.00 0.00 176.35 175.82 1ywu n HIS 34 N 0.96 0.00 -3.53 5.38 -0.00 -1.22 -4.84 115.22 111.97 1ywu n HIS 34 Ca 0.03 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 58.01 1ywu n HIS 34 Cb 0.39 0.02 -0.14 0.00 -0.12 0.00 0.00 29.99 30.13 1ywu n HIS 34 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1ywu s ASP 35 N 0.52 1.53 0.09 0.26 1.01 0.06 -4.06 116.67 116.08 1ywu s ASP 35 Ca 0.00 -0.26 0.10 0.00 0.71 0.00 0.00 52.55 53.10 1ywu s ASP 35 Cb 0.00 0.24 -0.03 0.00 1.01 0.00 0.00 42.92 44.13 1ywu s ASP 35 CO 0.00 -0.32 -0.26 0.54 0.21 0.00 0.00 175.17 175.34 1ywu s VAL 36 N 2.28 2.12 0.39 -1.27 0.11 -1.12 -0.45 120.40 122.46 1ywu s VAL 36 Ca 0.05 -1.56 0.04 0.00 -2.93 0.00 0.00 61.98 57.59 1ywu s VAL 36 Cb -0.15 -1.85 -0.02 0.00 -1.53 0.00 0.00 36.38 32.83 1ywu s VAL 36 CO -0.11 0.19 0.15 -1.54 -3.33 0.00 0.00 175.10 170.46 1ywu n SER 37 N 1.32 1.05 -0.07 3.54 3.41 0.33 -4.66 113.62 118.54 1ywu n SER 37 Ca -0.18 -3.13 0.15 0.00 -0.26 0.00 0.00 58.87 55.46 1ywu n SER 37 Cb 0.53 1.06 0.83 0.00 -0.26 0.00 0.00 64.21 66.38 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 0.23 -0.00 1.04 4.77 -1.18 -3.33 117.00 118.52 1ywu n LEU 38 Ca -0.05 -0.02 0.06 0.00 -0.03 0.00 0.00 56.01 55.98 1ywu n LEU 38 Cb 0.60 -0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 1ywu n LEU 38 CO 0.31 0.04 -0.41 1.41 -1.33 0.00 0.00 177.39 177.42 1ywu n HIS 39 N -0.89 0.00 0.00 -1.77 8.25 -1.26 -4.87 115.22 114.67 1ywu n HIS 39 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 1ywu n HIS 39 Cb 0.18 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1ywu n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ywu n GLY 40 N 1.57 1.93 3.07 -1.41 0.00 -1.21 -2.98 105.19 106.16 1ywu n GLY 40 Ca -0.01 -0.93 -0.27 0.00 0.00 0.00 0.00 46.02 44.81 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 1.44 -0.25 -0.61 2.07 0.45 -0.51 121.20 121.78 1ywu s ILE 41 Ca 0.00 -0.64 -0.08 0.00 -1.41 0.00 0.00 60.65 58.52 1ywu s ILE 41 Cb 0.00 -1.30 -0.04 0.00 0.13 0.00 0.00 42.46 41.26 1ywu s ILE 41 CO 0.00 0.42 0.10 -0.22 -1.91 0.00 0.00 174.94 173.34 1ywu s LEU 42 N 0.74 3.65 0.37 8.50 2.96 0.40 -0.60 118.68 134.69 1ywu s LEU 42 Ca -0.12 -0.12 0.05 0.00 -0.22 0.00 0.00 54.13 53.72 1ywu s LEU 42 Cb -0.16 -1.98 -0.07 0.00 0.50 0.00 0.00 46.19 44.48 1ywu s LEU 42 CO 0.03 -0.01 0.04 0.68 -1.32 0.00 0.00 176.35 175.76 1ywu s VAL 43 N 1.51 1.48 -0.09 1.68 -7.23 -0.20 -0.76 120.40 116.78 1ywu s VAL 43 Ca 0.06 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.24 1ywu s VAL 43 Cb -0.15 -2.84 0.02 0.00 0.56 0.00 0.00 36.38 33.97 1ywu s VAL 43 CO 0.05 0.00 -0.11 -0.83 -0.31 0.00 0.00 175.10 173.91 1ywu s GLY 44 N -3.59 0.84 -0.30 2.32 0.00 -0.82 -0.45 107.32 105.32 1ywu s GLY 44 Ca 0.34 -0.52 -0.03 0.00 0.00 0.00 0.00 44.72 44.51 1ywu s GLY 44 CO 0.16 0.45 0.14 1.62 0.00 0.00 0.00 173.10 175.46 1ywu s GLN 45 N 1.18 0.31 -0.02 2.90 0.74 -0.82 -2.57 119.66 121.38 1ywu s GLN 45 Ca -0.04 -0.71 -0.04 0.00 0.05 0.00 0.00 55.36 54.61 1ywu s GLN 45 Cb -0.14 -1.30 -0.18 0.00 1.10 0.00 0.00 33.01 32.49 1ywu s GLN 45 CO -0.03 -1.04 3.16 -0.35 -0.55 0.00 0.00 175.29 176.49 1ywu n PRO 46 N 5.03 1.76 -4.44 1.67 -0.04 -1.26 -4.85 135.00 132.88 1ywu n PRO 46 Ca -0.03 -0.82 -0.22 0.00 -0.04 0.00 0.00 63.50 62.40 1ywu n PRO 46 Cb 0.41 -1.75 -0.10 0.00 -0.04 0.00 0.00 33.50 32.02 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 0.59 1.67 -0.08 0.54 -0.21 -1.26 -5.11 119.66 115.81 1ywu s GLN 47 Ca 0.49 -1.95 -0.30 0.00 0.02 0.00 0.00 55.36 53.63 1ywu s GLN 47 Cb 0.24 -0.72 -0.03 0.00 1.00 0.00 0.00 33.01 33.49 1ywu s GLN 47 CO -0.01 -0.26 1.33 -0.51 -2.12 0.00 0.00 175.29 173.71 1ywu s ASP 48 N -3.49 6.92 0.06 5.90 1.01 -1.26 -5.00 116.67 120.80 1ywu s ASP 48 Ca 0.34 1.89 0.06 0.00 0.71 0.00 0.00 52.55 55.56 1ywu s ASP 48 Cb 0.07 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 1ywu s ASP 48 CO 0.15 -0.72 -0.17 0.86 0.21 0.00 0.00 175.17 175.49 1ywu s TRP 49 N 2.94 1.50 0.00 4.23 -0.11 -1.26 -5.09 118.94 121.14 1ywu s TRP 49 Ca 0.59 -0.39 0.00 0.00 1.22 0.00 0.00 56.10 57.53 1ywu s TRP 49 Cb -0.26 -0.87 0.00 0.00 -1.50 0.00 0.00 33.47 30.84 1ywu s TRP 49 CO 0.21 0.09 0.00 -1.71 -4.62 0.00 0.00 176.95 170.92 1ywu n ASN 50 N 1.65 0.00 0.00 5.86 4.05 -1.26 -5.01 115.26 120.55 1ywu n ASN 50 Ca -0.18 0.06 0.00 0.00 0.45 0.00 0.00 54.58 54.90 1ywu n ASN 50 Cb 0.54 -0.08 0.00 0.00 1.23 0.00 0.00 39.78 41.47 1ywu n ASN 50 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ywu n GLY 51 N 2.41 1.01 3.61 8.20 0.00 -1.26 -5.01 105.19 114.15 1ywu n GLY 51 Ca 0.00 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.47 6.35 0.00 1.61 -1.08 -1.26 -4.86 116.67 114.96 1ywu s ASP 52 Ca 0.00 1.20 0.00 0.00 -0.52 0.00 0.00 52.55 53.23 1ywu s ASP 52 Cb 0.00 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 1ywu s ASP 52 CO 0.00 -1.35 0.63 -0.81 0.52 0.00 0.00 175.17 174.16 1ywu n PRO 53 N 7.85 0.72 0.00 4.34 -0.04 -1.26 -0.83 135.00 145.78 1ywu n PRO 53 Ca 0.18 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.74 1ywu n PRO 53 Cb 0.47 -1.08 -0.03 0.00 -0.04 0.00 0.00 33.50 32.82 1ywu n PRO 53 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1ywu n GLN 54 N -0.35 1.09 -3.75 0.54 1.13 -1.26 -4.81 117.38 109.96 1ywu n GLN 54 Ca 0.00 -0.78 -0.38 0.00 -1.94 0.00 0.00 57.00 53.91 1ywu n GLN 54 Cb 0.04 -1.45 -0.12 0.00 0.11 0.00 0.00 30.24 28.82 1ywu n GLN 54 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1ywu s ARG 55 N -2.49 2.48 0.28 -1.09 1.81 -0.01 -5.08 118.95 114.85 1ywu s ARG 55 Ca 0.16 -1.37 -0.30 0.00 -1.72 0.00 0.00 55.73 52.50 1ywu s ARG 55 Cb 0.17 -3.50 -0.12 0.00 -0.45 0.00 0.00 34.95 31.05 1ywu s ARG 55 CO 0.60 -0.79 1.57 -0.35 -0.68 0.00 0.00 175.30 175.65 1ywu n PRO 56 N 4.76 2.60 -4.15 3.54 -0.04 -1.26 -4.86 135.00 135.59 1ywu n PRO 56 Ca -0.10 0.92 -0.35 0.00 -0.04 0.00 0.00 63.50 63.93 1ywu n PRO 56 Cb 0.43 -2.69 -0.09 0.00 -0.04 0.00 0.00 33.50 31.11 1ywu n PRO 56 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1ywu s PHE 57 N 0.03 3.27 -0.18 0.54 0.08 -0.83 -3.93 117.98 116.95 1ywu s PHE 57 Ca 0.65 0.19 -0.05 0.00 0.12 0.00 0.00 56.93 57.84 1ywu s PHE 57 Cb -0.52 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 39.97 1ywu s PHE 57 CO 0.48 0.39 0.01 -1.21 -0.10 0.00 0.00 175.22 174.79 1ywu s GLU 58 N -0.41 3.74 -0.45 0.44 0.41 -0.73 -1.32 118.70 120.38 1ywu s GLU 58 Ca 0.09 -0.47 -0.17 0.00 -0.41 0.00 0.00 54.97 54.01 1ywu s GLU 58 Cb -0.12 -3.08 0.04 0.00 -1.78 0.00 0.00 34.13 29.20 1ywu s GLU 58 CO 0.02 0.15 0.43 0.00 -0.49 0.00 0.00 175.26 175.37 1ywu s ALA 59 N 0.65 3.47 -0.41 5.21 0.00 -0.76 -0.98 121.76 128.95 1ywu s ALA 59 Ca 0.00 -1.76 -0.08 0.00 0.00 0.00 0.00 51.96 50.12 1ywu s ALA 59 Cb -0.14 -3.07 0.07 0.00 0.00 0.00 0.00 23.12 19.98 1ywu s ALA 59 CO 0.02 -1.67 0.23 0.50 0.00 0.00 0.00 175.76 174.84 1ywu s ARG 60 N 1.99 2.57 -0.32 0.00 3.52 0.14 -2.28 118.95 124.57 1ywu s ARG 60 Ca 0.09 -1.44 -0.10 0.00 -0.13 0.00 0.00 55.73 54.15 1ywu s ARG 60 Cb -0.20 -3.72 -0.00 0.00 -1.56 0.00 0.00 34.95 29.47 1ywu s ARG 60 CO 0.11 -0.92 0.16 -0.51 -0.81 0.00 0.00 175.30 173.32 1ywu s LEU 61 N 1.40 4.17 -0.42 -0.88 1.43 0.45 -1.26 118.68 123.56 1ywu s LEU 61 Ca 0.03 -0.57 -0.20 0.00 -1.03 0.00 0.00 54.13 52.36 1ywu s LEU 61 Cb -0.22 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.01 1ywu s LEU 61 CO 0.02 -0.21 0.58 -0.31 0.23 0.00 0.00 176.35 176.65 1ywu s TYR 62 N 1.61 3.10 -0.03 0.29 2.02 0.58 -0.54 117.35 124.37 1ywu s TYR 62 Ca 0.04 -0.11 0.22 0.00 -0.37 0.00 0.00 57.07 56.85 1ywu s TYR 62 Cb -0.17 -3.19 -0.34 0.00 -0.40 0.00 0.00 41.96 37.86 1ywu s TYR 62 CO 0.06 -0.79 0.48 1.28 -1.57 0.00 0.00 175.55 175.01 1ywu n LEU 63 N 6.04 0.00 0.00 -1.29 7.99 -0.42 -2.99 117.00 126.34 1ywu n LEU 63 Ca -0.03 -0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.97 1ywu n LEU 63 Cb 0.48 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.79 1ywu n LEU 63 CO 0.51 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 177.00 1ywu n GLY 64 N 1.28 3.22 0.14 -0.72 0.00 -0.96 -4.93 105.19 103.22 1ywu n GLY 64 Ca -0.04 -0.77 -0.23 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 0.75 0.00 0.99 -0.00 -2.01 -3.37 115.31 111.67 1ywu h LEU 65 Ca 0.00 -0.86 -0.04 0.00 -0.00 0.00 0.00 57.88 56.98 1ywu h LEU 65 Cb 0.00 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.41 1ywu h LEU 65 CO 0.00 1.69 -1.60 -0.90 -0.00 0.00 0.00 178.44 177.63 1ywu n ASP 66 N -3.67 2.19 -4.56 -0.43 5.75 -1.26 -4.89 116.55 109.69 1ywu n ASP 66 Ca -0.18 0.00 -0.37 0.00 -0.01 0.00 0.00 54.79 54.23 1ywu n ASP 66 Cb 1.09 1.42 -0.03 0.00 -1.03 0.00 0.00 41.12 42.57 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 -2.75 3.63 -0.11 2.12 1.01 -1.26 -4.94 120.40 118.10 1ywu s VAL 67 Ca -0.05 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1ywu s VAL 67 Cb 0.07 -4.54 -0.01 0.00 0.00 0.00 0.00 36.38 31.90 1ywu s VAL 67 CO 0.50 -1.47 -0.20 -0.22 0.00 0.00 0.00 175.10 173.72 1ywu s LEU 68 N 7.23 2.34 -0.29 3.92 2.96 -1.26 -1.30 118.68 132.28 1ywu s LEU 68 Ca 0.53 -0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 53.92 1ywu s LEU 68 Cb -0.06 -1.49 0.02 0.00 0.50 0.00 0.00 46.19 45.15 1ywu s LEU 68 CO 0.06 0.17 0.05 -0.63 -1.32 0.00 0.00 176.35 174.68 1ywu s ILE 69 N 0.30 3.68 -0.02 6.68 1.01 0.29 -4.59 121.20 128.56 1ywu s ILE 69 Ca -0.15 -0.85 0.08 0.00 0.00 0.00 0.00 60.65 59.73 1ywu s ILE 69 Cb -0.17 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 1ywu s ILE 69 CO 0.07 0.06 -0.25 0.00 0.00 0.00 0.00 174.94 174.82 1ywu s ARG 70 N 1.44 2.05 -0.11 2.79 1.70 -1.26 -0.41 118.95 125.15 1ywu s ARG 70 Ca 0.01 -0.90 -0.08 0.00 -0.47 0.00 0.00 55.73 54.29 1ywu s ARG 70 Cb -0.17 -1.97 0.04 0.00 -0.57 0.00 0.00 34.95 32.27 1ywu s ARG 70 CO 0.01 0.53 0.28 0.00 -1.08 0.00 0.00 175.30 175.04 1ywu s MET 71 N -0.57 0.29 -0.41 3.89 0.23 -0.97 -3.28 119.30 118.49 1ywu s MET 71 Ca 0.09 0.46 -0.28 0.00 -1.03 0.00 0.00 55.69 54.93 1ywu s MET 71 Cb -0.10 0.06 0.02 0.00 -1.53 0.00 0.00 34.83 33.28 1ywu s MET 71 CO -0.01 -0.09 1.08 -2.00 -2.03 0.00 0.00 175.02 171.98 1ywu s GLU 72 N 0.59 3.84 0.06 3.16 2.12 0.50 -1.83 118.70 127.14 1ywu s GLU 72 Ca -0.04 0.72 0.09 0.00 0.36 0.00 0.00 54.97 56.10 1ywu s GLU 72 Cb -0.05 -3.84 -0.03 0.00 0.26 0.00 0.00 34.13 30.47 1ywu s GLU 72 CO -0.03 -1.16 -0.25 0.96 -0.54 0.00 0.00 175.26 174.24 1ywu s ILE 73 N 4.03 2.02 -0.08 -3.70 -4.36 -0.43 -1.12 121.20 117.56 1ywu s ILE 73 Ca 0.45 -1.41 0.01 0.00 -0.26 0.00 0.00 60.65 59.45 1ywu s ILE 73 Cb -0.10 -1.75 -0.03 0.00 1.25 0.00 0.00 42.46 41.84 1ywu s ILE 73 CO 0.24 0.26 -0.10 -0.55 0.24 0.00 0.00 174.94 175.03 1ywu s SER 74 N -1.39 4.32 -0.32 4.36 0.15 -0.12 -1.97 113.70 118.74 1ywu s SER 74 Ca 0.11 -0.15 -0.29 0.00 0.70 0.00 0.00 55.95 56.32 1ywu s SER 74 Cb -0.10 -1.21 -0.01 0.00 -1.71 0.00 0.00 66.02 63.00 1ywu s SER 74 CO 0.03 0.30 1.58 -0.22 1.20 0.00 0.00 173.24 176.12 1ywu s LEU 75 N -0.43 3.68 -0.20 3.45 2.96 -1.26 -0.41 118.68 126.47 1ywu s LEU 75 Ca 0.06 1.24 -0.15 0.00 -0.22 0.00 0.00 54.13 55.06 1ywu s LEU 75 Cb -0.12 -3.53 -0.20 0.00 0.50 0.00 0.00 46.19 42.84 1ywu s LEU 75 CO 0.02 -1.43 0.15 0.00 -1.32 0.00 0.00 176.35 173.77 1ywu n ALA 76 N 9.04 0.91 -3.47 5.97 0.00 -1.03 -4.91 120.51 127.02 1ywu n ALA 76 Ca 0.19 -0.64 -0.16 0.00 0.00 0.00 0.00 53.44 52.82 1ywu n ALA 76 Cb 0.47 -0.47 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -2.45 -0.58 -0.07 0.00 1.48 -0.99 -5.05 118.94 111.27 1ywu s TRP 77 Ca -0.29 1.09 -0.03 0.00 -1.06 0.00 0.00 56.10 55.81 1ywu s TRP 77 Cb 0.08 0.32 0.04 0.00 -1.16 0.00 0.00 33.47 32.75 1ywu s TRP 77 CO 0.63 -0.52 0.14 0.00 -4.06 0.00 0.00 176.95 173.14 1ywu s ALA 78 N -0.93 -0.11 -0.08 2.67 0.00 -1.26 -0.40 121.76 121.66 1ywu s ALA 78 Ca -0.09 0.51 -0.07 0.00 0.00 0.00 0.00 51.96 52.31 1ywu s ALA 78 Cb -0.02 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.40 1ywu s ALA 78 CO 0.07 -0.49 0.20 0.50 0.00 0.00 0.00 175.76 176.05 1ywu s ARG 79 N 2.09 0.24 1.92 0.00 3.52 -0.28 -5.00 118.95 121.43 1ywu s ARG 79 Ca 0.01 0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.90 1ywu s ARG 79 Cb -0.12 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.38 1ywu s ARG 79 CO -0.05 -0.03 0.00 -3.47 -0.81 0.00 0.00 175.30 170.94 1ywu n ASP 80 N 2.98 0.00 0.00 -2.12 2.03 -1.26 -1.09 116.55 117.09 1ywu n ASP 80 Ca -0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.18 1ywu n ASP 80 Cb 0.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 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 -1.42 3.47 0.27 0.00 -1.26 -5.02 105.19 101.23 1ywu n GLY 81 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 3.02 -0.15 0.99 1.43 -0.25 -1.95 118.68 121.77 1ywu s LEU 82 Ca 0.00 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 1ywu s LEU 82 Cb 0.00 -1.69 0.01 0.00 0.03 0.00 0.00 46.19 44.54 1ywu s LEU 82 CO 0.00 0.22 -0.21 -0.76 0.23 0.00 0.00 176.35 175.82 1ywu s LEU 83 N 0.07 2.09 -0.34 1.79 1.02 0.40 -1.13 118.68 122.57 1ywu s LEU 83 Ca -0.03 -0.60 -0.09 0.00 0.02 0.00 0.00 54.13 53.44 1ywu s LEU 83 Cb -0.14 -1.43 0.03 0.00 0.02 0.00 0.00 46.19 44.67 1ywu s LEU 83 CO 0.03 0.06 0.15 -0.83 0.02 0.00 0.00 176.35 175.78 1ywu s GLY 84 N 0.92 1.87 0.01 -3.19 0.00 0.47 -1.04 107.32 106.36 1ywu s GLY 84 Ca -0.05 -1.66 -0.01 0.00 0.00 0.00 0.00 44.72 43.00 1ywu s GLY 84 CO -0.04 0.78 0.13 -1.36 0.00 0.00 0.00 173.10 172.61 1ywu s PHE 85 N 1.50 3.41 -0.13 1.90 0.40 0.23 -2.36 117.98 122.92 1ywu s PHE 85 Ca 0.01 0.26 -0.12 0.00 -0.60 0.00 0.00 56.93 56.48 1ywu s PHE 85 Cb -0.19 -1.77 -0.05 0.00 0.51 0.00 0.00 43.02 41.53 1ywu s PHE 85 CO 0.05 0.59 0.27 -2.00 0.70 0.00 0.00 175.22 174.83 1ywu s GLU 86 N -1.94 4.07 -0.39 0.44 2.12 0.45 -0.41 118.70 123.04 1ywu s GLU 86 Ca 0.26 0.08 -0.24 0.00 0.36 0.00 0.00 54.97 55.43 1ywu s GLU 86 Cb -0.12 -3.36 0.01 0.00 0.26 0.00 0.00 34.13 30.93 1ywu s GLU 86 CO 0.18 0.40 0.83 0.00 -0.54 0.00 0.00 175.26 176.13 1ywu n GLN 88 N 6.61 0.42 -3.91 0.00 3.00 -0.27 -4.82 117.38 118.42 1ywu n GLN 88 Ca 0.04 0.41 -0.34 0.00 -0.01 0.00 0.00 57.00 57.11 1ywu n GLN 88 Cb 0.48 -1.52 -0.13 0.00 0.00 0.00 0.00 30.24 29.07 1ywu n GLN 88 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1ywu s HIS 89 N -2.27 3.65 -0.21 1.08 2.46 -1.10 -4.99 115.29 113.91 1ywu s HIS 89 Ca -0.17 -2.67 -0.09 0.00 0.47 0.00 0.00 55.06 52.61 1ywu s HIS 89 Cb 0.02 -3.00 -0.05 0.00 -0.13 0.00 0.00 32.58 29.43 1ywu s HIS 89 CO 0.25 -0.95 0.11 0.42 -2.47 0.00 0.00 174.74 172.10 1ywu s ILE 90 N 1.03 5.11 0.28 0.89 1.01 -1.26 -0.37 121.20 127.89 1ywu s ILE 90 Ca 0.08 0.09 -0.29 0.00 0.00 0.00 0.00 60.65 60.53 1ywu s ILE 90 Cb -0.21 -3.34 -0.10 0.00 0.01 0.00 0.00 42.46 38.82 1ywu s ILE 90 CO -0.06 0.42 1.32 -0.62 0.00 0.00 0.00 174.94 176.00 1ywu s ASP 91 N 0.62 6.82 0.47 3.58 2.15 -1.20 -4.83 116.67 124.26 1ywu s ASP 91 Ca 0.06 2.59 0.14 0.00 0.43 0.00 0.00 52.55 55.76 1ywu s ASP 91 Cb -0.12 -2.63 1.07 0.00 -0.30 0.00 0.00 42.92 40.94 1ywu s ASP 91 CO 0.01 -0.54 2.06 -0.07 -0.17 0.00 0.00 175.17 176.46 1ywu h LEU 92 N 4.21 0.07 -0.39 -1.34 4.07 -1.97 0.42 115.31 120.38 1ywu h LEU 92 Ca -0.47 -0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.40 1ywu h LEU 92 Cb 1.22 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.93 1ywu h LEU 92 CO 0.71 0.15 -0.07 -0.78 -1.08 0.00 0.00 178.44 177.36 1ywu h ASP 93 N 0.08 0.73 -0.44 -0.43 1.82 -1.97 -0.57 116.42 115.64 1ywu h ASP 93 Ca 0.02 -0.35 -0.11 0.00 -0.39 0.00 0.00 57.03 56.19 1ywu h ASP 93 Cb 0.15 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 39.95 1ywu h ASP 93 CO 0.01 0.91 -0.15 0.28 -1.61 0.00 0.00 179.24 178.68 1ywu h SER 94 N 0.54 0.93 -0.48 2.28 0.02 -1.35 -0.89 113.55 114.60 1ywu h SER 94 Ca 0.10 -0.31 0.02 0.00 -0.84 0.00 0.00 61.79 60.76 1ywu h SER 94 Cb 0.58 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 1ywu h SER 94 CO 0.03 1.07 0.28 0.40 -1.14 0.00 0.00 176.83 177.48 1ywu h ILE 95 N 0.82 1.04 -0.81 3.27 2.04 -0.13 0.04 117.51 123.78 1ywu h ILE 95 Ca 0.12 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1ywu h ILE 95 Cb 0.69 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1ywu h ILE 95 CO 0.05 0.10 0.40 0.28 0.00 0.00 0.00 178.15 178.98 1ywu h SER 96 N 0.56 1.05 0.12 1.72 0.02 -0.76 0.53 113.55 116.80 1ywu h SER 96 Ca 0.20 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1ywu h SER 96 Cb 0.03 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.30 1ywu h SER 96 CO -0.09 0.89 -0.06 0.45 -1.14 0.00 0.00 176.83 176.87 1ywu h HIS 97 N 1.15 -0.15 0.69 3.45 3.86 -0.72 -1.28 115.15 122.15 1ywu h HIS 97 Ca 0.28 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.46 1ywu h HIS 97 Cb 0.10 0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 1ywu h HIS 97 CO 0.01 -0.07 -0.45 1.25 0.86 0.00 0.00 177.93 179.53 1ywu h LEU 98 N -0.18 -1.16 -0.10 2.43 7.12 -0.60 -0.42 115.31 122.41 1ywu h LEU 98 Ca -0.02 0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.06 1ywu h LEU 98 Cb 0.14 0.35 -0.00 0.00 -0.53 0.00 0.00 40.66 40.61 1ywu h LEU 98 CO 0.03 -0.68 0.06 -0.09 -0.13 0.00 0.00 178.44 177.62 1ywu h ARG 99 N -1.08 0.13 -0.50 1.25 2.43 -0.94 -2.51 114.38 113.16 1ywu h ARG 99 Ca -0.09 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 58.96 1ywu h ARG 99 Cb 0.88 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 1ywu h ARG 99 CO 0.07 0.11 -0.14 0.00 -1.51 0.00 0.00 179.97 178.50 1ywu h ARG 100 N 0.11 0.98 -0.59 0.20 3.08 -1.22 -0.96 114.38 115.98 1ywu h ARG 100 Ca 0.03 -0.39 -0.03 0.00 0.07 0.00 0.00 59.98 59.67 1ywu h ARG 100 Cb 0.01 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1ywu h ARG 100 CO -0.01 1.06 0.26 1.25 -1.07 0.00 0.00 179.97 181.46 1ywu h LEU 101 N 0.84 0.79 -0.30 3.04 5.85 -0.96 0.14 115.31 124.72 1ywu h LEU 101 Ca 0.12 -0.15 -0.19 0.00 0.84 0.00 0.00 57.88 58.50 1ywu h LEU 101 Cb 0.71 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1ywu h LEU 101 CO 0.05 0.72 -0.56 0.58 -0.34 0.00 0.00 178.44 178.90 1ywu h VAL 102 N 0.80 1.27 -0.50 1.05 2.07 -1.38 -3.03 116.25 116.54 1ywu h VAL 102 Ca 0.20 -1.74 -0.12 0.00 0.82 0.00 0.00 66.70 65.86 1ywu h VAL 102 Cb 0.16 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1ywu h VAL 102 CO -0.02 0.57 -0.17 -0.08 0.02 0.00 0.00 177.57 177.89 1ywu h GLU 103 N 0.67 1.00 -0.36 1.57 4.81 -0.87 0.35 114.58 121.74 1ywu h GLU 103 Ca 0.01 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1ywu h GLU 103 Cb 1.17 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 1ywu h GLU 103 CO 0.12 1.08 0.23 -0.07 -0.73 0.00 0.00 179.01 179.64 1ywu h LEU 104 N 0.87 0.42 0.00 1.64 3.38 -0.74 -2.32 115.31 118.57 1ywu h LEU 104 Ca 0.12 -0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.81 1ywu h LEU 104 Cb 0.74 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1ywu h LEU 104 CO 0.06 0.31 -1.49 0.78 0.09 0.00 0.00 178.44 178.18 1ywu h ASN 105 N 0.49 0.00 -3.58 -0.43 2.35 -1.34 -3.48 115.58 109.59 1ywu h ASN 105 Ca 0.13 -0.01 -0.39 0.00 -0.55 0.00 0.00 56.30 55.48 1ywu h ASN 105 Cb -0.04 -0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.35 1ywu h ASN 105 CO -0.03 1.01 -0.55 -0.11 -1.65 0.00 0.00 177.43 176.10 1ywu n LEU 106 N -3.14 -2.30 -2.41 1.61 -0.00 0.12 -4.87 117.00 106.01 1ywu n LEU 106 Ca -0.12 -0.15 -0.21 0.00 -0.00 0.00 0.00 56.01 55.53 1ywu n LEU 106 Cb 1.02 -2.84 -0.12 0.00 -0.00 0.00 0.00 43.42 41.48 1ywu n LEU 106 CO 0.46 0.02 2.06 0.61 -0.00 0.00 0.00 177.39 180.53 1ywu n GLY 107 N -1.27 3.52 2.88 -3.96 0.00 -1.21 -4.70 105.19 100.45 1ywu n GLY 107 Ca -0.17 -1.38 -0.09 0.00 0.00 0.00 0.00 46.02 44.38 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 2.54 -7.83 -0.28 1.61 9.92 -1.26 -4.80 116.55 116.44 1ywu n ASP 108 Ca 0.53 0.58 0.12 0.00 -0.53 0.00 0.00 54.79 55.49 1ywu n ASP 108 Cb 0.70 -5.17 0.56 0.00 -0.64 0.00 0.00 41.12 36.56 1ywu n ASP 108 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1ywu n GLU 109 N -0.19 1.38 0.27 -1.24 -0.00 -1.26 -3.46 120.64 116.13 1ywu n GLU 109 Ca 0.10 -0.56 0.18 0.00 -0.00 0.00 0.00 57.16 56.87 1ywu n GLU 109 Cb 0.43 -1.40 0.78 0.00 -0.00 0.00 0.00 31.44 31.25 1ywu n GLU 109 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1ywu h GLU 110 N 1.21 0.00 -0.16 3.44 4.81 -1.99 -3.09 114.58 118.81 1ywu h GLU 110 Ca 0.00 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 1ywu h GLU 110 Cb 0.26 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1ywu h GLU 110 CO 0.00 0.00 -0.57 -0.07 -0.73 0.00 0.00 179.01 177.64 1ywu h LEU 111 N 0.00 0.54 -0.84 1.64 3.38 -1.94 -3.22 115.31 114.88 1ywu h LEU 111 Ca 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1ywu h LEU 111 Cb 0.37 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1ywu h LEU 111 CO 0.00 0.99 0.00 0.00 0.09 0.00 0.00 178.44 179.52 1ywu n LEU 112 N -3.94 1.25 -0.58 1.67 -0.00 -1.17 -3.57 117.00 110.66 1ywu n LEU 112 Ca -0.03 -0.54 0.08 0.00 -0.00 0.00 0.00 56.01 55.52 1ywu n LEU 112 Cb 0.61 -0.09 0.21 0.00 -0.00 0.00 0.00 43.42 44.14 1ywu n LEU 112 CO 0.46 0.27 0.64 1.21 -0.00 0.00 0.00 177.39 179.97 1ywu n GLU 113 N 0.06 2.11 0.00 1.47 2.13 -1.21 -3.12 120.64 122.08 1ywu n GLU 113 Ca 0.14 -2.80 0.00 0.00 0.66 0.00 0.00 57.16 55.17 1ywu n GLU 113 Cb 0.25 -1.70 0.00 0.00 0.27 0.00 0.00 31.44 30.26 1ywu n GLU 113 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1ywu n ARG 114 N -0.96 0.00 -3.64 5.31 1.74 -1.23 -5.11 116.66 112.77 1ywu n ARG 114 Ca 0.20 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.27 1ywu n ARG 114 Cb 0.80 -0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 32.22 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 0.00 0.01 0.14 5.56 2.56 -1.26 -4.94 118.70 120.77 1ywu s GLU 115 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 54.97 54.77 1ywu s GLU 115 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 34.13 36.14 1ywu s GLU 115 CO 0.00 -0.00 1.68 1.25 -0.56 0.00 0.00 175.26 177.63 1ywu h LEU 116 N 2.00 -0.32 0.00 2.70 5.85 -1.90 0.73 115.31 124.37 1ywu h LEU 116 Ca -0.05 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1ywu h LEU 116 Cb 1.13 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1ywu h LEU 116 CO 0.19 -0.12 0.00 0.00 -0.34 0.00 0.00 178.44 178.17 1ywu n ALA 117 N -2.52 2.25 0.80 1.25 0.00 -1.26 -2.39 120.51 118.63 1ywu n ALA 117 Ca -0.01 -0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.39 1ywu n ALA 117 Cb 0.17 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.19 1ywu n ALA 117 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ywu n LEU 118 N -1.20 1.19 -4.58 0.00 4.77 0.05 -4.90 117.00 112.32 1ywu n LEU 118 Ca 0.13 -0.61 -0.41 0.00 -0.03 0.00 0.00 56.01 55.09 1ywu n LEU 118 Cb 0.15 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 1ywu n LEU 118 CO 0.16 0.25 0.27 -0.76 -1.33 0.00 0.00 177.39 175.98 1ywu s LEU 119 N -2.54 4.23 -0.11 2.23 1.02 -0.03 -4.72 118.68 118.75 1ywu s LEU 119 Ca 0.10 0.19 -0.02 0.00 0.02 0.00 0.00 54.13 54.42 1ywu s LEU 119 Cb 0.13 -2.65 -0.03 0.00 0.02 0.00 0.00 46.19 43.66 1ywu s LEU 119 CO 0.59 -0.44 -0.02 0.54 0.02 0.00 0.00 176.35 177.05 1ywu s VAL 120 N 2.43 4.14 1.15 -1.59 0.11 -1.26 -5.00 120.40 120.38 1ywu s VAL 120 Ca 0.21 -0.30 -0.14 0.00 -2.93 0.00 0.00 61.98 58.82 1ywu s VAL 120 Cb -0.15 -2.77 0.27 0.00 -1.53 0.00 0.00 36.38 32.20 1ywu s VAL 120 CO 0.12 0.56 1.05 -0.94 -3.33 0.00 0.00 175.10 172.56 1ywu s SER 121 N -0.40 1.23 0.48 3.54 1.04 -1.26 -4.86 113.70 113.47 1ywu s SER 121 Ca 0.07 1.21 0.30 0.00 0.48 0.00 0.00 55.95 58.01 1ywu s SER 121 Cb -0.12 -1.86 1.39 0.00 0.10 0.00 0.00 66.02 65.53 1ywu s SER 121 CO 0.02 -4.00 1.74 0.00 0.98 0.00 0.00 173.24 171.98 1ywu h ALA 122 N -2.49 2.81 -1.61 5.32 0.00 -1.98 -3.13 119.26 118.18 1ywu h ALA 122 Ca -0.56 0.02 -0.62 0.00 0.00 0.00 0.00 54.91 53.75 1ywu h ALA 122 Cb 1.33 0.09 -0.13 0.00 0.00 0.00 0.00 17.79 19.08 1ywu h ALA 122 CO 0.49 -1.24 0.69 -1.58 0.00 0.00 0.00 179.25 177.62 1ywu s HIS 123 N -5.19 2.64 -0.15 0.00 5.65 -1.26 -5.02 115.29 111.96 1ywu s HIS 123 Ca -0.07 -0.55 -0.06 0.00 0.25 0.00 0.00 55.06 54.64 1ywu s HIS 123 Cb 0.25 -4.37 -0.04 0.00 -1.18 0.00 0.00 32.58 27.25 1ywu s HIS 123 CO 0.81 -1.72 0.05 0.16 -0.65 0.00 0.00 174.74 173.39 1ywu s ASP 124 N 3.74 5.59 0.00 9.88 -4.77 -1.19 -5.03 116.67 124.89 1ywu s ASP 124 Ca 0.26 0.14 0.14 0.00 -3.30 0.00 0.00 52.55 49.80 1ywu s ASP 124 Cb -0.14 -1.85 0.11 0.00 -1.09 0.00 0.00 42.92 39.96 1ywu s ASP 124 CO 0.09 0.26 0.96 0.47 0.70 0.00 0.00 175.17 177.65