#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 7.24 0.00 6.12 0.15 -1.26 -4.67 113.70 121.29 1ywu s SER 2 Ca 0.00 -3.40 0.17 0.00 0.70 0.00 0.00 55.95 53.42 1ywu s SER 2 Cb 0.00 -2.26 0.48 0.00 -1.71 0.00 0.00 66.02 62.52 1ywu s SER 2 CO 0.00 -0.42 1.39 -0.90 1.20 0.00 0.00 173.24 174.51 1ywu n ASP 3 N 3.55 3.44 -4.67 5.45 5.75 -1.26 -5.01 116.55 123.80 1ywu n ASP 3 Ca 0.27 -1.99 -0.47 0.00 -0.01 0.00 0.00 54.79 52.59 1ywu n ASP 3 Cb 0.40 -0.36 -0.04 0.00 -1.03 0.00 0.00 41.12 40.09 1ywu n ASP 3 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ywu n GLN 4 N 1.12 2.11 0.00 0.11 10.64 -1.26 -4.87 117.38 125.22 1ywu n GLN 4 Ca 0.18 0.76 0.00 0.00 -1.83 0.00 0.00 57.00 56.11 1ywu n GLN 4 Cb 0.53 -2.54 0.00 0.00 -0.86 0.00 0.00 30.24 27.37 1ywu n GLN 4 CO 0.00 0.00 0.00 1.58 -1.83 0.00 0.00 177.06 176.81 1ywu n HIS 5 N 3.95 0.00 -2.71 2.61 -0.00 -1.26 -4.89 115.22 112.92 1ywu n HIS 5 Ca 0.18 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.94 1ywu n HIS 5 Cb 0.28 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.13 1ywu n HIS 5 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1ywu s ASP 6 N -0.85 6.55 -0.11 0.26 -1.08 -1.26 -4.71 116.67 115.48 1ywu s ASP 6 Ca 0.00 -1.69 -0.13 0.00 -0.52 0.00 0.00 52.55 50.21 1ywu s ASP 6 Cb 0.00 -2.50 -0.27 0.00 -1.46 0.00 0.00 42.92 38.69 1ywu s ASP 6 CO 0.00 -1.33 0.49 1.05 0.52 0.00 0.00 175.17 175.90 1ywu h GLU 7 N 9.41 0.25 -5.75 4.34 -0.00 -2.03 -3.50 114.58 117.31 1ywu h GLU 7 Ca 0.18 -0.43 -0.03 0.00 -0.00 0.00 0.00 59.36 59.09 1ywu h GLU 7 Cb 1.02 0.16 0.00 0.00 -0.00 0.00 0.00 28.75 29.93 1ywu h GLU 7 CO 1.30 1.21 -0.98 -2.13 -0.00 0.00 0.00 179.01 178.41 1ywu n ARG 8 N -3.80 -2.01 0.26 1.06 0.63 -1.26 -4.85 116.66 106.69 1ywu n ARG 8 Ca -0.27 1.84 0.17 0.00 -0.92 0.00 0.00 57.85 58.66 1ywu n ARG 8 Cb 0.95 -3.40 0.64 0.00 0.45 0.00 0.00 32.46 31.10 1ywu n ARG 8 CO 0.00 0.00 0.00 0.07 -2.51 0.00 0.00 177.63 175.19 1ywu h ARG 9 N 3.15 0.00 -2.25 -0.14 0.11 -2.00 -3.49 114.38 109.76 1ywu h ARG 9 Ca -0.04 0.00 0.23 0.00 0.10 0.00 0.00 59.98 60.28 1ywu h ARG 9 Cb 0.57 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 31.54 1ywu h ARG 9 CO 0.07 0.00 -0.72 0.54 0.10 0.00 0.00 179.97 179.97 1ywu n ARG 10 N -3.02 -2.12 -3.48 0.08 3.00 -1.26 -4.74 116.66 105.12 1ywu n ARG 10 Ca 0.01 1.66 -0.43 0.00 -0.01 0.00 0.00 57.85 59.09 1ywu n ARG 10 Cb 0.31 -2.50 -0.09 0.00 0.00 0.00 0.00 32.46 30.19 1ywu n ARG 10 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1ywu s PHE 11 N -3.35 3.28 0.00 -1.55 0.40 -1.26 -5.03 117.98 110.48 1ywu s PHE 11 Ca 0.00 -1.18 0.00 0.00 -0.60 0.00 0.00 56.93 55.15 1ywu s PHE 11 Cb 0.00 -3.07 0.00 0.00 0.51 0.00 0.00 43.02 40.46 1ywu s PHE 11 CO 0.00 -0.82 0.00 0.72 0.70 0.00 0.00 175.22 175.82 1ywu n HIS 12 N 5.08 0.00 -2.07 0.36 8.25 -1.26 -5.11 115.22 120.47 1ywu n HIS 12 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1ywu n HIS 12 Cb 0.43 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.54 1ywu n HIS 12 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ywu n ARG 13 N 0.00 0.00 -1.85 -0.41 1.74 -1.26 -5.03 116.66 109.85 1ywu n ARG 13 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1ywu n ARG 13 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 1ywu n ARG 13 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ywu s ILE 14 N -0.97 3.24 -0.28 0.55 -1.09 -1.26 -4.83 121.20 116.56 1ywu s ILE 14 Ca 0.00 -0.06 0.01 0.00 -2.23 0.00 0.00 60.65 58.37 1ywu s ILE 14 Cb 0.00 -3.58 0.16 0.00 -1.58 0.00 0.00 42.46 37.45 1ywu s ILE 14 CO 0.00 -0.56 0.42 0.00 -1.23 0.00 0.00 174.94 173.58 1ywu s ALA 15 N 11.23 -1.31 0.36 9.38 0.00 -1.26 -3.27 121.76 136.88 1ywu s ALA 15 Ca 0.79 0.56 0.08 0.00 0.00 0.00 0.00 51.96 53.40 1ywu s ALA 15 Cb -0.12 -2.00 -0.07 0.00 0.00 0.00 0.00 23.12 20.93 1ywu s ALA 15 CO 0.12 -1.59 -0.05 -0.59 0.00 0.00 0.00 175.76 173.65 1ywu s PHE 16 N 2.58 2.36 -1.21 0.00 -0.12 -1.26 -5.05 117.98 115.28 1ywu s PHE 16 Ca 0.11 -0.60 -0.20 0.00 -0.05 0.00 0.00 56.93 56.19 1ywu s PHE 16 Cb -0.13 -1.47 0.05 0.00 -0.63 0.00 0.00 43.02 40.84 1ywu s PHE 16 CO -0.25 0.47 1.68 -0.51 -0.05 0.00 0.00 175.22 176.56 1ywu s ASP 17 N -3.61 6.59 -0.01 1.98 1.01 -1.26 -4.89 116.67 116.48 1ywu s ASP 17 Ca 0.33 -2.10 0.02 0.00 0.71 0.00 0.00 52.55 51.51 1ywu s ASP 17 Cb 0.05 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.41 1ywu s ASP 17 CO 0.16 -1.42 -0.06 0.00 0.21 0.00 0.00 175.17 174.07 1ywu s ALA 18 N 5.01 0.53 -0.28 5.23 0.00 -1.26 -4.80 121.76 126.18 1ywu s ALA 18 Ca 0.53 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.99 1ywu s ALA 18 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1ywu s ALA 18 CO 0.03 0.10 1.42 0.34 0.00 0.00 0.00 175.76 177.65 1ywu s ASP 19 N 0.05 6.54 -0.31 0.00 2.15 -0.67 -4.75 116.67 119.68 1ywu s ASP 19 Ca -0.00 1.31 -0.07 0.00 0.43 0.00 0.00 52.55 54.22 1ywu s ASP 19 Cb -0.05 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 40.05 1ywu s ASP 19 CO -0.00 -1.17 0.10 -0.94 -0.17 0.00 0.00 175.17 172.99 1ywu s SER 20 N 3.39 5.26 -0.09 -0.34 1.04 -1.25 -0.10 113.70 121.60 1ywu s SER 20 Ca 0.62 -0.80 0.04 0.00 0.48 0.00 0.00 55.95 56.29 1ywu s SER 20 Cb -0.19 -1.90 -0.00 0.00 0.10 0.00 0.00 66.02 64.02 1ywu s SER 20 CO 0.26 -0.23 -0.24 -1.61 0.98 0.00 0.00 173.24 172.40 1ywu s GLU 21 N 1.50 2.94 -0.41 4.02 2.02 -0.48 -1.28 118.70 127.01 1ywu s GLU 21 Ca 0.02 -0.88 -0.12 0.00 0.02 0.00 0.00 54.97 54.02 1ywu s GLU 21 Cb -0.18 -2.28 0.05 0.00 0.10 0.00 0.00 34.13 31.82 1ywu s GLU 21 CO 0.03 0.23 0.26 0.42 0.02 0.00 0.00 175.26 176.23 1ywu s ILE 22 N 0.21 4.63 0.14 -1.63 1.01 0.46 -0.40 121.20 125.61 1ywu s ILE 22 Ca -0.15 -1.05 0.07 0.00 0.00 0.00 0.00 60.65 59.53 1ywu s ILE 22 Cb -0.17 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1ywu s ILE 22 CO 0.08 -0.39 -0.07 -1.48 0.00 0.00 0.00 174.94 173.08 1ywu s LEU 23 N 1.54 3.13 -0.07 2.97 2.34 -0.33 -0.41 118.68 127.85 1ywu s LEU 23 Ca 0.03 -0.42 0.10 0.00 0.06 0.00 0.00 54.13 53.90 1ywu s LEU 23 Cb -0.21 -1.86 0.15 0.00 -0.56 0.00 0.00 46.19 43.71 1ywu s LEU 23 CO 0.06 0.14 1.04 1.67 -1.06 0.00 0.00 176.35 178.19 1ywu n GLN 24 N 0.33 1.25 0.00 1.48 0.00 -0.64 -1.04 117.38 118.76 1ywu n GLN 24 Ca -0.12 -1.86 0.00 0.00 -0.00 0.00 0.00 57.00 55.02 1ywu n GLN 24 Cb 0.54 -1.11 0.00 0.00 0.00 0.00 0.00 30.24 29.67 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 -0.83 1.22 0.33 1.69 0.00 -1.26 -4.62 105.19 101.72 1ywu n GLY 25 Ca 0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 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 1.15 -2.73 1.61 4.39 -1.99 -3.46 114.58 113.55 1ywu h GLU 26 Ca 0.00 -0.14 0.04 0.00 0.34 0.00 0.00 59.36 59.59 1ywu h GLU 26 Cb 0.00 -0.22 -0.12 0.00 -0.10 0.00 0.00 28.75 28.31 1ywu h GLU 26 CO 0.00 0.86 0.32 0.50 -1.16 0.00 0.00 179.01 179.53 1ywu s ARG 27 N -5.80 1.15 -0.23 2.33 3.52 -1.26 -5.15 118.95 113.52 1ywu s ARG 27 Ca -0.13 -0.46 -0.02 0.00 -0.13 0.00 0.00 55.73 54.99 1ywu s ARG 27 Cb 0.16 0.51 0.01 0.00 -1.56 0.00 0.00 34.95 34.07 1ywu s ARG 27 CO 0.82 -0.51 -0.07 -0.98 -0.81 0.00 0.00 175.30 173.75 1ywu s ARG 28 N -3.53 3.09 -0.24 5.12 1.70 -1.26 -1.63 118.95 122.21 1ywu s ARG 28 Ca 0.04 -0.80 -0.13 0.00 -0.47 0.00 0.00 55.73 54.36 1ywu s ARG 28 Cb -0.01 -2.93 -0.04 0.00 -0.57 0.00 0.00 34.95 31.39 1ywu s ARG 28 CO -0.10 -0.28 0.30 -1.58 -1.08 0.00 0.00 175.30 172.56 1ywu s TRP 29 N 1.39 3.31 -0.20 5.89 0.51 0.45 -4.90 118.94 125.38 1ywu s TRP 29 Ca 0.03 0.39 -0.29 0.00 -2.12 0.00 0.00 56.10 54.11 1ywu s TRP 29 Cb -0.15 -2.44 -0.03 0.00 -0.81 0.00 0.00 33.47 30.04 1ywu s TRP 29 CO -0.05 -0.06 1.55 -2.00 -0.51 0.00 0.00 176.95 175.88 1ywu s GLU 30 N 1.47 3.91 0.27 4.98 2.12 -1.26 -0.41 118.70 129.77 1ywu s GLU 30 Ca 0.13 1.69 0.12 0.00 0.36 0.00 0.00 54.97 57.27 1ywu s GLU 30 Cb -0.15 -3.98 -0.05 0.00 0.26 0.00 0.00 34.13 30.21 1ywu s GLU 30 CO 0.08 -1.15 -0.20 0.54 -0.54 0.00 0.00 175.26 173.98 1ywu s VAL 31 N 4.77 2.49 -0.17 3.70 0.11 -0.41 -4.87 120.40 126.02 1ywu s VAL 31 Ca 0.68 -2.34 -0.07 0.00 -2.93 0.00 0.00 61.98 57.33 1ywu s VAL 31 Cb -0.25 -2.29 -0.04 0.00 -1.53 0.00 0.00 36.38 32.28 1ywu s VAL 31 CO 0.27 -0.35 0.06 -0.76 -3.33 0.00 0.00 175.10 170.98 1ywu s LEU 32 N -3.38 3.81 0.29 2.54 1.02 -1.22 -4.32 118.68 117.41 1ywu s LEU 32 Ca 0.29 0.10 -0.29 0.00 0.02 0.00 0.00 54.13 54.24 1ywu s LEU 32 Cb -0.05 -1.95 -0.10 0.00 0.02 0.00 0.00 46.19 44.11 1ywu s LEU 32 CO 0.14 0.21 1.28 -0.22 0.02 0.00 0.00 176.35 177.78 1ywu s LEU 33 N 0.18 4.44 0.00 1.79 2.96 -1.26 -2.21 118.68 124.59 1ywu s LEU 33 Ca 0.04 2.55 0.00 0.00 -0.22 0.00 0.00 54.13 56.50 1ywu s LEU 33 Cb -0.12 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.93 1ywu s LEU 33 CO 0.01 -0.47 0.00 1.41 -1.32 0.00 0.00 176.35 175.97 1ywu n HIS 34 N 1.40 0.00 -3.18 5.38 8.25 -1.12 -4.88 115.22 121.06 1ywu n HIS 34 Ca 0.02 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.52 1ywu n HIS 34 Cb 0.42 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.52 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 -3.03 -0.67 0.21 0.41 -1.08 -0.64 -3.44 116.67 108.43 1ywu s ASP 35 Ca 0.00 0.47 0.09 0.00 -0.52 0.00 0.00 52.55 52.59 1ywu s ASP 35 Cb 0.00 1.58 -0.04 0.00 -1.46 0.00 0.00 42.92 43.00 1ywu s ASP 35 CO 0.00 -0.13 -0.06 0.54 0.52 0.00 0.00 175.17 176.04 1ywu s VAL 36 N 2.87 3.31 0.35 1.11 0.11 -1.26 -0.32 120.40 126.57 1ywu s VAL 36 Ca 0.03 -1.73 -0.10 0.00 -2.93 0.00 0.00 61.98 57.25 1ywu s VAL 36 Cb -0.11 -2.69 0.04 0.00 -1.53 0.00 0.00 36.38 32.10 1ywu s VAL 36 CO -0.14 -0.20 0.64 -0.24 -3.33 0.00 0.00 175.10 171.84 1ywu n SER 37 N -0.28 -1.86 -0.07 3.54 2.88 -0.52 -4.78 113.62 112.52 1ywu n SER 37 Ca -0.09 -2.51 0.15 0.00 -1.33 0.00 0.00 58.87 55.09 1ywu n SER 37 Cb 0.57 3.17 0.79 0.00 -0.75 0.00 0.00 64.21 67.98 1ywu n SER 37 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ywu n LEU 38 N 0.00 0.25 -0.17 2.46 4.77 -1.24 -3.17 117.00 119.91 1ywu n LEU 38 Ca -0.06 0.02 0.09 0.00 -0.03 0.00 0.00 56.01 56.03 1ywu n LEU 38 Cb 0.54 -0.11 0.14 0.00 -2.33 0.00 0.00 43.42 41.66 1ywu n LEU 38 CO 0.25 0.04 0.52 0.00 -1.33 0.00 0.00 177.39 176.88 1ywu n HIS 39 N -0.94 0.00 0.00 -1.77 1.44 -1.26 -4.87 115.22 107.82 1ywu n HIS 39 Ca 0.19 -1.02 0.00 0.00 -2.01 0.00 0.00 57.72 54.88 1ywu n HIS 39 Cb 0.20 -0.16 0.00 0.00 0.12 0.00 0.00 29.99 30.15 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 -1.32 0.81 3.57 -1.39 0.00 -1.19 -3.00 105.19 102.68 1ywu n GLY 40 Ca 0.16 -2.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.94 0.00 -0.28 -0.61 2.07 -0.68 -1.44 121.20 118.31 1ywu s ILE 41 Ca 0.00 -0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.19 1ywu s ILE 41 Cb 0.00 -0.93 0.02 0.00 0.13 0.00 0.00 42.46 41.68 1ywu s ILE 41 CO 0.00 -0.00 0.02 -0.22 -1.91 0.00 0.00 174.94 172.83 1ywu s LEU 42 N 0.30 3.64 0.35 8.50 2.96 0.56 -0.42 118.68 134.57 1ywu s LEU 42 Ca -0.00 -0.84 0.04 0.00 -0.22 0.00 0.00 54.13 53.11 1ywu s LEU 42 Cb -0.05 -1.79 -0.06 0.00 0.50 0.00 0.00 46.19 44.79 1ywu s LEU 42 CO 0.01 -0.18 0.05 0.68 -1.32 0.00 0.00 176.35 175.59 1ywu s VAL 43 N 1.41 1.32 -0.39 1.68 -7.23 -0.46 -1.63 120.40 115.11 1ywu s VAL 43 Ca 0.01 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.13 1ywu s VAL 43 Cb -0.17 -2.81 0.09 0.00 0.56 0.00 0.00 36.38 34.04 1ywu s VAL 43 CO -0.00 0.00 0.17 -0.83 -0.31 0.00 0.00 175.10 174.13 1ywu s GLY 44 N -3.54 1.93 -0.40 2.32 0.00 -0.94 -0.44 107.32 106.25 1ywu s GLY 44 Ca 0.36 -2.24 -0.10 0.00 0.00 0.00 0.00 44.72 42.73 1ywu s GLY 44 CO 0.16 0.93 0.25 1.62 0.00 0.00 0.00 173.10 176.06 1ywu s GLN 45 N 1.25 2.71 0.29 2.90 -0.44 -1.16 -3.40 119.66 121.82 1ywu s GLN 45 Ca 0.04 -1.31 0.10 0.00 -2.50 0.00 0.00 55.36 51.69 1ywu s GLN 45 Cb -0.22 -3.78 0.41 0.00 -1.64 0.00 0.00 33.01 27.78 1ywu s GLN 45 CO -0.02 -0.86 1.65 -1.35 0.50 0.00 0.00 175.29 175.21 1ywu h PRO 46 N 8.44 0.02 -7.13 1.67 0.11 -1.89 -3.46 132.00 129.75 1ywu h PRO 46 Ca -0.24 -0.01 -0.46 0.00 0.11 0.00 0.00 66.00 65.40 1ywu h PRO 46 Cb 1.09 0.00 0.08 0.00 0.11 0.00 0.00 31.00 32.28 1ywu h PRO 46 CO 0.73 0.58 0.12 -0.65 -0.21 0.00 0.00 178.00 178.57 1ywu s GLN 47 N -3.72 1.81 0.34 1.05 -0.21 -1.26 -5.10 119.66 112.56 1ywu s GLN 47 Ca -0.02 -0.92 0.05 0.00 0.02 0.00 0.00 55.36 54.49 1ywu s GLN 47 Cb 0.13 -2.31 -0.01 0.00 1.00 0.00 0.00 33.01 31.82 1ywu s GLN 47 CO 0.76 -1.37 0.49 0.16 -2.12 0.00 0.00 175.29 173.21 1ywu s ASP 48 N -4.67 6.03 0.76 5.90 1.47 -1.26 -5.11 116.67 119.78 1ywu s ASP 48 Ca 0.65 -0.02 -0.05 0.00 1.18 0.00 0.00 52.55 54.31 1ywu s ASP 48 Cb -0.07 -1.45 0.13 0.00 -0.34 0.00 0.00 42.92 41.19 1ywu s ASP 48 CO 0.44 -0.40 1.05 0.26 0.68 0.00 0.00 175.17 177.20 1ywu s TRP 49 N -2.21 1.87 -0.11 2.11 0.52 -1.26 -5.04 118.94 114.82 1ywu s TRP 49 Ca 0.43 -0.03 -0.16 0.00 0.02 0.00 0.00 56.10 56.36 1ywu s TRP 49 Cb -0.09 -3.24 -0.26 0.00 -1.15 0.00 0.00 33.47 28.72 1ywu s TRP 49 CO 0.32 -1.80 0.52 -2.95 0.02 0.00 0.00 176.95 173.06 1ywu h ASN 50 N -0.73 0.34 0.00 2.95 -1.07 -2.02 -3.48 115.58 111.57 1ywu h ASN 50 Ca -0.40 -0.83 0.00 0.00 0.07 0.00 0.00 56.30 55.14 1ywu h ASN 50 Cb 1.27 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 37.41 1ywu h ASN 50 CO 0.43 1.61 0.00 0.61 0.07 0.00 0.00 177.43 180.15 1ywu n GLY 51 N 1.73 0.20 3.21 9.14 0.00 -1.26 -5.16 105.19 113.05 1ywu n GLY 51 Ca -0.26 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 1ywu n GLY 51 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ywu s ASP 52 N 1.00 1.78 0.00 1.61 -4.77 -1.26 -5.03 116.67 110.00 1ywu s ASP 52 Ca 0.00 -0.81 0.00 0.00 -3.30 0.00 0.00 52.55 48.44 1ywu s ASP 52 Cb 0.00 -0.04 0.00 0.00 -1.09 0.00 0.00 42.92 41.79 1ywu s ASP 52 CO 0.00 -0.19 0.92 -0.81 0.70 0.00 0.00 175.17 175.79 1ywu n PRO 53 N 0.55 0.97 -0.33 2.11 -0.04 -1.26 -2.93 135.00 134.06 1ywu n PRO 53 Ca -0.16 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.38 1ywu n PRO 53 Cb 0.57 -1.05 0.22 0.00 -0.04 0.00 0.00 33.50 33.20 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 -0.45 2.90 -3.17 0.54 1.13 -1.26 -3.01 117.38 114.05 1ywu n GLN 54 Ca 0.00 -2.52 -0.39 0.00 -1.94 0.00 0.00 57.00 52.15 1ywu n GLN 54 Cb 0.02 -1.61 -0.06 0.00 0.11 0.00 0.00 30.24 28.70 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 -2.12 4.33 -0.31 -1.09 0.52 -1.15 -5.00 118.95 114.14 1ywu s ARG 55 Ca 0.34 0.87 -0.28 0.00 -0.52 0.00 0.00 55.73 56.14 1ywu s ARG 55 Cb 0.25 -3.26 -0.06 0.00 0.52 0.00 0.00 34.95 32.40 1ywu s ARG 55 CO 0.11 0.57 2.28 -0.35 0.02 0.00 0.00 175.30 177.93 1ywu n PRO 56 N 1.87 1.63 -3.57 3.54 -0.04 -1.26 -4.62 135.00 132.55 1ywu n PRO 56 Ca -0.08 0.37 -0.37 0.00 -0.04 0.00 0.00 63.50 63.37 1ywu n PRO 56 Cb 0.50 -3.21 -0.06 0.00 -0.04 0.00 0.00 33.50 30.68 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 9.29 3.58 -0.22 0.54 2.99 -0.27 -4.64 117.98 129.26 1ywu s PHE 57 Ca 1.01 0.75 -0.03 0.00 0.00 0.00 0.00 56.93 58.66 1ywu s PHE 57 Cb -0.35 -2.27 -0.00 0.00 0.00 0.00 0.00 43.02 40.41 1ywu s PHE 57 CO 0.34 0.47 -0.06 -1.21 -0.00 0.00 0.00 175.22 174.76 1ywu s GLU 58 N -0.34 3.27 -0.46 0.44 2.02 -0.21 -0.47 118.70 122.95 1ywu s GLU 58 Ca 0.19 -0.69 -0.17 0.00 0.02 0.00 0.00 54.97 54.32 1ywu s GLU 58 Cb -0.14 -2.96 0.05 0.00 0.10 0.00 0.00 34.13 31.17 1ywu s GLU 58 CO 0.08 -0.22 0.49 0.00 0.02 0.00 0.00 175.26 175.62 1ywu s ALA 59 N 1.44 3.45 -0.40 5.21 0.00 -0.76 -1.19 121.76 129.52 1ywu s ALA 59 Ca 0.05 -1.75 -0.17 0.00 0.00 0.00 0.00 51.96 50.10 1ywu s ALA 59 Cb -0.14 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.83 1ywu s ALA 59 CO -0.04 -1.76 0.41 1.03 0.00 0.00 0.00 175.76 175.40 1ywu s ARG 60 N 2.16 3.23 -0.54 0.00 0.52 0.46 -1.73 118.95 123.05 1ywu s ARG 60 Ca 0.11 -0.66 -0.16 0.00 -0.52 0.00 0.00 55.73 54.50 1ywu s ARG 60 Cb -0.20 -3.92 0.13 0.00 0.52 0.00 0.00 34.95 31.49 1ywu s ARG 60 CO 0.11 -0.75 0.50 -0.51 0.02 0.00 0.00 175.30 174.67 1ywu s LEU 61 N 2.09 6.19 -0.89 2.53 1.43 0.45 -1.39 118.68 129.10 1ywu s LEU 61 Ca 0.12 -1.79 -0.25 0.00 -1.03 0.00 0.00 54.13 51.17 1ywu s LEU 61 Cb -0.17 -2.21 0.04 0.00 0.03 0.00 0.00 46.19 43.88 1ywu s LEU 61 CO 0.13 -0.86 1.39 -0.31 0.23 0.00 0.00 176.35 176.92 1ywu s TYR 62 N 1.60 2.40 -0.02 0.29 2.02 0.86 -0.74 117.35 123.75 1ywu s TYR 62 Ca 0.03 -0.44 0.12 0.00 -0.37 0.00 0.00 57.07 56.41 1ywu s TYR 62 Cb -0.30 -4.65 -0.23 0.00 -0.40 0.00 0.00 41.96 36.38 1ywu s TYR 62 CO 0.03 -2.00 0.74 1.25 -1.57 0.00 0.00 175.55 173.99 1ywu h LEU 63 N 13.02 0.00 0.00 -1.29 5.85 -1.48 -1.79 115.31 129.62 1ywu h LEU 63 Ca -0.02 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 1ywu h LEU 63 Cb 1.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1ywu h LEU 63 CO 1.36 1.00 0.07 0.61 -0.34 0.00 0.00 178.44 181.13 1ywu n GLY 64 N 1.53 1.79 0.16 3.75 0.00 -0.37 -4.93 105.19 107.13 1ywu n GLY 64 Ca -0.15 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 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 0.47 -2.29 0.99 -0.00 -2.01 -3.09 115.31 109.38 1ywu h LEU 65 Ca -0.20 -0.30 0.00 0.00 -0.00 0.00 0.00 57.88 57.38 1ywu h LEU 65 Cb 0.79 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.33 1ywu h LEU 65 CO 0.26 0.65 0.00 0.47 -0.00 0.00 0.00 178.44 179.83 1ywu n ASP 66 N -4.61 2.86 -4.22 -0.43 8.00 -1.26 -4.77 116.55 112.12 1ywu n ASP 66 Ca -0.03 -1.85 -0.41 0.00 0.71 0.00 0.00 54.79 53.22 1ywu n ASP 66 Cb 0.24 -0.18 -0.04 0.00 -0.02 0.00 0.00 41.12 41.12 1ywu n ASP 66 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ywu s VAL 67 N -1.14 4.96 -0.25 2.53 1.01 -1.17 -5.01 120.40 121.33 1ywu s VAL 67 Ca 0.26 -3.28 -0.05 0.00 0.00 0.00 0.00 61.98 58.91 1ywu s VAL 67 Cb 0.15 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1ywu s VAL 67 CO 0.21 -1.06 0.01 -0.22 0.00 0.00 0.00 175.10 174.03 1ywu s LEU 68 N -0.77 3.31 -0.82 3.92 2.96 -1.26 -1.23 118.68 124.79 1ywu s LEU 68 Ca 0.24 -0.56 -0.17 0.00 -0.22 0.00 0.00 54.13 53.42 1ywu s LEU 68 Cb -0.11 -1.79 0.15 0.00 0.50 0.00 0.00 46.19 44.94 1ywu s LEU 68 CO -0.09 -0.10 0.91 -0.63 -1.32 0.00 0.00 176.35 175.13 1ywu s ILE 69 N 1.47 5.05 -0.23 6.68 1.01 0.08 -4.37 121.20 130.90 1ywu s ILE 69 Ca 0.04 -1.74 -0.07 0.00 0.00 0.00 0.00 60.65 58.87 1ywu s ILE 69 Cb -0.16 -4.61 -0.03 0.00 0.01 0.00 0.00 42.46 37.67 1ywu s ILE 69 CO -0.01 -1.26 0.07 0.00 0.00 0.00 0.00 174.94 173.74 1ywu s ARG 70 N 1.83 3.76 -0.12 2.79 1.04 -1.26 -0.41 118.95 126.59 1ywu s ARG 70 Ca 0.23 -0.44 0.00 0.00 -1.04 0.00 0.00 55.73 54.48 1ywu s ARG 70 Cb -0.11 -3.28 0.02 0.00 -2.04 0.00 0.00 34.95 29.54 1ywu s ARG 70 CO -0.06 -0.03 -0.10 0.00 -0.04 0.00 0.00 175.30 175.07 1ywu s MET 71 N 1.18 1.82 -0.23 3.89 0.23 -0.70 -3.64 119.30 121.84 1ywu s MET 71 Ca 0.04 -0.38 -0.29 0.00 -1.03 0.00 0.00 55.69 54.04 1ywu s MET 71 Cb -0.14 -1.75 0.00 0.00 -1.53 0.00 0.00 34.83 31.41 1ywu s MET 71 CO 0.03 -0.22 1.13 -2.00 -2.03 0.00 0.00 175.02 171.93 1ywu s GLU 72 N 1.51 4.20 0.14 3.16 2.12 0.44 -1.83 118.70 128.44 1ywu s GLU 72 Ca 0.03 1.40 0.03 0.00 0.36 0.00 0.00 54.97 56.78 1ywu s GLU 72 Cb -0.13 -3.71 -0.04 0.00 0.26 0.00 0.00 34.13 30.51 1ywu s GLU 72 CO -0.08 -0.73 -0.06 0.96 -0.54 0.00 0.00 175.26 174.81 1ywu s ILE 73 N 3.45 0.89 -0.03 -3.70 -4.36 0.37 -0.07 121.20 117.75 1ywu s ILE 73 Ca 0.48 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.95 1ywu s ILE 73 Cb -0.17 -1.87 -0.02 0.00 1.25 0.00 0.00 42.46 41.65 1ywu s ILE 73 CO 0.11 -0.71 -0.25 -0.55 0.24 0.00 0.00 174.94 173.78 1ywu s SER 74 N -3.13 3.16 -0.33 4.36 0.15 -0.17 -1.11 113.70 116.62 1ywu s SER 74 Ca 0.17 -0.45 -0.29 0.00 0.70 0.00 0.00 55.95 56.08 1ywu s SER 74 Cb 0.04 -0.49 0.01 0.00 -1.71 0.00 0.00 66.02 63.87 1ywu s SER 74 CO -0.00 0.31 1.23 -0.22 1.20 0.00 0.00 173.24 175.75 1ywu s LEU 75 N -0.53 3.85 -0.22 3.45 2.96 -1.17 -0.64 118.68 126.39 1ywu s LEU 75 Ca 0.07 1.06 -0.21 0.00 -0.22 0.00 0.00 54.13 54.84 1ywu s LEU 75 Cb -0.11 -3.54 -0.18 0.00 0.50 0.00 0.00 46.19 42.86 1ywu s LEU 75 CO 0.00 -1.06 0.16 0.00 -1.32 0.00 0.00 176.35 174.12 1ywu n ALA 76 N 7.50 0.83 -3.19 5.97 0.00 -0.65 -4.69 120.51 126.29 1ywu n ALA 76 Ca 0.14 -0.55 -0.13 0.00 0.00 0.00 0.00 53.44 52.90 1ywu n ALA 76 Cb 0.47 -0.49 -0.08 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.38 -0.17 -0.15 0.00 1.48 -1.01 -5.03 118.94 111.68 1ywu s TRP 77 Ca -0.30 0.21 -0.01 0.00 -1.06 0.00 0.00 56.10 54.94 1ywu s TRP 77 Cb 0.07 0.11 0.04 0.00 -1.16 0.00 0.00 33.47 32.53 1ywu s TRP 77 CO 0.58 -0.43 -0.01 0.00 -4.06 0.00 0.00 176.95 173.03 1ywu s ALA 78 N -1.65 1.13 -0.18 2.67 0.00 -1.26 -0.41 121.76 122.06 1ywu s ALA 78 Ca -0.11 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.26 1ywu s ALA 78 Cb -0.04 -1.04 0.03 0.00 0.00 0.00 0.00 23.12 22.07 1ywu s ALA 78 CO 0.02 -0.81 -0.15 0.50 0.00 0.00 0.00 175.76 175.32 1ywu s ARG 79 N 1.79 2.48 1.29 0.00 3.52 0.31 -4.96 118.95 123.39 1ywu s ARG 79 Ca 0.01 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.85 1ywu s ARG 79 Cb -0.15 -2.38 0.00 0.00 -1.56 0.00 0.00 34.95 30.86 1ywu s ARG 79 CO -0.07 -0.29 0.00 -3.47 -0.81 0.00 0.00 175.30 170.66 1ywu n ASP 80 N 4.68 0.00 0.00 -2.12 2.03 -1.26 -0.43 116.55 119.45 1ywu n ASP 80 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 1ywu n ASP 80 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 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 -0.10 3.49 0.27 0.00 -1.26 -5.04 105.19 102.55 1ywu n GLY 81 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.04 3.80 -0.15 0.99 1.43 0.43 -2.98 118.68 122.16 1ywu s LEU 82 Ca 0.00 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1ywu s LEU 82 Cb 0.00 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1ywu s LEU 82 CO 0.00 -0.08 -0.12 -0.76 0.23 0.00 0.00 176.35 175.61 1ywu s LEU 83 N 1.66 2.71 -0.21 1.79 1.02 0.41 -0.53 118.68 125.53 1ywu s LEU 83 Ca 0.06 -0.35 -0.06 0.00 0.02 0.00 0.00 54.13 53.79 1ywu s LEU 83 Cb -0.16 -1.62 -0.03 0.00 0.02 0.00 0.00 46.19 44.40 1ywu s LEU 83 CO 0.07 0.13 0.04 -0.83 0.02 0.00 0.00 176.35 175.78 1ywu s GLY 84 N 0.57 1.79 -0.02 -3.19 0.00 0.45 -1.35 107.32 105.56 1ywu s GLY 84 Ca -0.08 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.70 1ywu s GLY 84 CO 0.03 0.28 -0.04 -1.36 0.00 0.00 0.00 173.10 172.01 1ywu s PHE 85 N 1.02 2.97 -0.05 1.90 0.40 0.44 -1.63 117.98 123.02 1ywu s PHE 85 Ca 0.03 0.02 -0.07 0.00 -0.60 0.00 0.00 56.93 56.31 1ywu s PHE 85 Cb -0.14 -1.65 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 1ywu s PHE 85 CO 0.03 0.40 0.21 -2.00 0.70 0.00 0.00 175.22 174.55 1ywu s GLU 86 N -1.32 3.53 0.19 0.44 2.56 0.19 -1.68 118.70 122.62 1ywu s GLU 86 Ca 0.17 -0.08 -0.30 0.00 0.00 0.00 0.00 54.97 54.75 1ywu s GLU 86 Cb -0.11 -3.15 -0.08 0.00 2.00 0.00 0.00 34.13 32.79 1ywu s GLU 86 CO 0.07 0.72 0.94 0.00 -0.56 0.00 0.00 175.26 176.43 1ywu n GLN 88 N 1.98 0.25 -3.26 0.00 6.02 0.90 -4.89 117.38 118.37 1ywu n GLN 88 Ca -0.00 0.06 -0.06 0.00 -0.01 0.00 0.00 57.00 56.99 1ywu n GLN 88 Cb 0.48 -1.17 -0.04 0.00 1.02 0.00 0.00 30.24 30.53 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 -2.20 -1.22 -0.39 1.08 5.04 -0.40 -4.99 115.29 112.21 1ywu s HIS 89 Ca -0.14 0.41 -0.19 0.00 -1.54 0.00 0.00 55.06 53.60 1ywu s HIS 89 Cb 0.04 -0.03 0.01 0.00 0.04 0.00 0.00 32.58 32.64 1ywu s HIS 89 CO 0.23 -1.03 0.55 0.42 -2.34 0.00 0.00 174.74 172.57 1ywu s ILE 90 N 2.47 4.96 0.55 0.89 1.01 -1.26 -0.42 121.20 129.40 1ywu s ILE 90 Ca 0.11 0.14 -0.21 0.00 0.00 0.00 0.00 60.65 60.69 1ywu s ILE 90 Cb -0.11 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 1ywu s ILE 90 CO -0.25 -0.39 1.23 -0.62 0.00 0.00 0.00 174.94 174.91 1ywu s ASP 91 N 1.85 5.48 0.41 3.58 2.15 -1.24 -4.70 116.67 124.19 1ywu s ASP 91 Ca 0.19 2.45 0.11 0.00 0.43 0.00 0.00 52.55 55.73 1ywu s ASP 91 Cb -0.15 -2.61 0.93 0.00 -0.30 0.00 0.00 42.92 40.79 1ywu s ASP 91 CO 0.15 -1.40 1.97 0.25 -0.17 0.00 0.00 175.17 175.97 1ywu h LEU 92 N 1.33 0.48 0.34 -1.34 5.85 -1.96 0.39 115.31 120.40 1ywu h LEU 92 Ca -0.50 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 1ywu h LEU 92 Cb 1.28 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1ywu h LEU 92 CO 0.57 0.29 -0.27 -0.78 -0.34 0.00 0.00 178.44 177.91 1ywu h ASP 93 N 0.53 -0.70 -0.50 1.25 1.82 -1.96 0.14 116.42 117.01 1ywu h ASP 93 Ca 0.30 0.05 -0.05 0.00 -0.39 0.00 0.00 57.03 56.94 1ywu h ASP 93 Cb 0.46 0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.67 1ywu h ASP 93 CO -0.09 -0.40 0.15 0.28 -1.61 0.00 0.00 179.24 177.56 1ywu h SER 94 N -0.61 0.78 -0.34 2.28 0.02 -1.26 -1.48 113.55 112.94 1ywu h SER 94 Ca -0.03 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1ywu h SER 94 Cb 0.54 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1ywu h SER 94 CO -0.01 0.75 0.22 0.40 -1.14 0.00 0.00 176.83 177.05 1ywu h ILE 95 N 0.81 1.09 -0.53 3.27 2.04 -0.06 0.45 117.51 124.58 1ywu h ILE 95 Ca 0.18 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 1ywu h ILE 95 Cb 0.28 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1ywu h ILE 95 CO -0.00 0.09 0.11 0.77 0.00 0.00 0.00 178.15 179.12 1ywu h SER 96 N 0.45 0.76 0.07 1.72 4.64 -0.11 0.13 113.55 121.22 1ywu h SER 96 Ca 0.12 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1ywu h SER 96 Cb -0.04 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.85 1ywu h SER 96 CO -0.03 0.76 -0.04 0.45 -0.87 0.00 0.00 176.83 177.11 1ywu h HIS 97 N 0.79 -0.09 -0.24 4.77 3.86 -0.99 -2.72 115.15 120.53 1ywu h HIS 97 Ca 0.17 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 1ywu h HIS 97 Cb 0.31 0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 1ywu h HIS 97 CO 0.02 0.23 0.09 1.25 0.86 0.00 0.00 177.93 180.37 1ywu h LEU 98 N -0.42 0.33 0.41 2.43 5.85 -0.60 -1.49 115.31 121.82 1ywu h LEU 98 Ca -0.01 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1ywu h LEU 98 Cb 0.36 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1ywu h LEU 98 CO 0.02 0.43 -0.30 -0.09 -0.34 0.00 0.00 178.44 178.15 1ywu h ARG 99 N 0.22 -0.67 -0.37 1.25 2.43 -0.82 -2.04 114.38 114.38 1ywu h ARG 99 Ca 0.08 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1ywu h ARG 99 Cb 0.20 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1ywu h ARG 99 CO -0.00 -0.45 0.19 0.00 -1.51 0.00 0.00 179.97 178.20 1ywu h ARG 100 N -0.70 0.50 0.51 0.20 3.08 -1.44 0.15 114.38 116.68 1ywu h ARG 100 Ca -0.04 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 1ywu h ARG 100 Cb 0.59 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.54 1ywu h ARG 100 CO 0.01 0.38 -0.25 1.25 -1.07 0.00 0.00 179.97 180.30 1ywu h LEU 101 N 0.51 -0.58 -0.37 3.04 5.85 -0.92 0.23 115.31 123.06 1ywu h LEU 101 Ca 0.13 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.72 1ywu h LEU 101 Cb 0.03 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1ywu h LEU 101 CO -0.02 -0.39 -0.30 0.58 -0.34 0.00 0.00 178.44 177.97 1ywu h VAL 102 N -0.73 1.28 -0.18 1.05 2.07 -1.00 -2.93 116.25 115.82 1ywu h VAL 102 Ca -0.07 -1.46 -0.11 0.00 0.82 0.00 0.00 66.70 65.88 1ywu h VAL 102 Cb 0.55 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1ywu h VAL 102 CO 0.12 0.49 -0.36 -0.08 0.02 0.00 0.00 177.57 177.75 1ywu h GLU 103 N 0.66 0.39 0.00 1.57 4.81 -0.70 -0.84 114.58 120.47 1ywu h GLU 103 Ca 0.07 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1ywu h GLU 103 Cb 0.88 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.25 1ywu h GLU 103 CO 0.08 0.70 0.00 1.28 -0.73 0.00 0.00 179.01 180.34 1ywu n LEU 104 N -4.05 0.42 -0.00 1.64 4.77 0.06 -2.76 117.00 117.08 1ywu n LEU 104 Ca -0.01 0.55 0.10 0.00 -0.03 0.00 0.00 56.01 56.62 1ywu n LEU 104 Cb 0.47 -0.43 -0.12 0.00 -2.33 0.00 0.00 43.42 41.00 1ywu n LEU 104 CO 0.43 -0.16 -0.10 0.59 -1.33 0.00 0.00 177.39 176.82 1ywu n ASN 105 N -1.90 0.93 -3.51 -1.43 3.02 -0.72 -4.99 115.26 106.66 1ywu n ASN 105 Ca 0.06 -0.93 -0.24 0.00 -0.03 0.00 0.00 54.58 53.43 1ywu n ASN 105 Cb 0.35 1.06 0.07 0.00 -0.61 0.00 0.00 39.78 40.66 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 -1.55 -3.26 -2.50 3.41 4.77 -0.40 -4.89 117.00 112.58 1ywu n LEU 106 Ca 0.03 -0.51 -0.36 0.00 -0.03 0.00 0.00 56.01 55.15 1ywu n LEU 106 Cb 0.34 -3.01 0.07 0.00 -2.33 0.00 0.00 43.42 38.49 1ywu n LEU 106 CO 0.43 0.58 1.48 0.61 -1.33 0.00 0.00 177.39 179.16 1ywu n GLY 107 N -1.93 5.78 1.63 -0.72 0.00 -1.18 -4.95 105.19 103.82 1ywu n GLY 107 Ca -0.01 -2.36 0.00 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.81 -6.44 0.25 1.61 8.00 -1.26 -4.74 116.55 113.16 1ywu n ASP 108 Ca 0.60 0.98 0.16 0.00 0.71 0.00 0.00 54.79 57.25 1ywu n ASP 108 Cb 0.54 -3.53 0.60 0.00 -0.02 0.00 0.00 41.12 38.71 1ywu n ASP 108 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1ywu h GLU 109 N 2.63 0.00 -0.00 -1.24 9.09 -1.92 -2.95 114.58 120.18 1ywu h GLU 109 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1ywu h GLU 109 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1ywu h GLU 109 CO 0.00 0.00 0.00 0.93 0.05 0.00 0.00 179.01 179.99 1ywu h GLU 110 N 0.00 0.00 0.00 1.06 5.08 -1.95 0.68 114.58 119.45 1ywu h GLU 110 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ywu h GLU 110 Cb 0.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1ywu h GLU 110 CO 0.00 0.00 -0.02 -0.07 -1.00 0.00 0.00 179.01 177.92 1ywu h LEU 111 N 0.00 0.00 0.00 1.33 3.38 -1.81 0.40 115.31 118.61 1ywu h LEU 111 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ywu h LEU 111 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ywu h LEU 111 CO -0.00 0.02 -0.81 0.18 0.09 0.00 0.00 178.44 177.91 1ywu n LEU 112 N -3.16 0.79 -0.98 1.67 4.77 0.22 -4.32 117.00 115.99 1ywu n LEU 112 Ca -0.01 -0.29 0.08 0.00 -0.03 0.00 0.00 56.01 55.76 1ywu n LEU 112 Cb 0.20 -0.10 0.27 0.00 -2.33 0.00 0.00 43.42 41.46 1ywu n LEU 112 CO 0.24 0.19 0.72 -0.62 -1.33 0.00 0.00 177.39 176.60 1ywu n GLU 113 N -1.52 3.05 -0.28 3.23 -0.58 0.10 -3.67 120.64 120.98 1ywu n GLU 113 Ca 0.04 -2.88 0.00 0.00 -0.42 0.00 0.00 57.16 53.90 1ywu n GLU 113 Cb 0.34 -1.88 0.00 0.00 -0.57 0.00 0.00 31.44 29.32 1ywu n GLU 113 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1ywu n ARG 114 N -0.44 1.29 -4.39 3.49 1.74 -1.05 -5.01 116.66 112.29 1ywu n ARG 114 Ca 0.22 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 57.05 1ywu n ARG 114 Cb 0.93 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 32.24 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 -0.48 1.26 0.30 5.56 2.56 -1.26 -4.90 118.70 121.74 1ywu s GLU 115 Ca 0.00 -1.17 0.05 0.00 0.00 0.00 0.00 54.97 53.84 1ywu s GLU 115 Cb 0.00 -1.56 0.70 0.00 2.00 0.00 0.00 34.13 35.28 1ywu s GLU 115 CO 0.00 0.37 1.78 1.25 -0.56 0.00 0.00 175.26 178.10 1ywu h LEU 116 N 4.17 0.77 -2.15 2.70 5.85 -1.95 0.48 115.31 125.19 1ywu h LEU 116 Ca -0.47 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.37 1ywu h LEU 116 Cb 1.17 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 1ywu h LEU 116 CO 0.40 0.29 0.08 0.00 -0.34 0.00 0.00 178.44 178.87 1ywu h ALA 117 N 1.63 1.93 0.00 1.25 0.00 -1.98 -1.59 119.26 120.50 1ywu h ALA 117 Ca 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1ywu h ALA 117 Cb 0.84 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ywu h ALA 117 CO -0.37 -0.14 -0.54 -0.07 0.00 0.00 0.00 179.25 178.13 1ywu h LEU 118 N 0.00 0.00 -8.79 0.00 3.38 -0.46 -3.45 115.31 106.00 1ywu h LEU 118 Ca 0.05 -0.06 -0.56 0.00 0.09 0.00 0.00 57.88 57.40 1ywu h LEU 118 Cb 0.22 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 1ywu h LEU 118 CO -0.00 0.03 1.00 -0.76 0.09 0.00 0.00 178.44 178.79 1ywu s LEU 119 N -5.21 3.65 0.28 1.67 1.02 -0.60 -4.95 118.68 114.55 1ywu s LEU 119 Ca 0.04 0.74 0.07 0.00 0.02 0.00 0.00 54.13 55.01 1ywu s LEU 119 Cb 0.10 -3.54 -0.03 0.00 0.02 0.00 0.00 46.19 42.73 1ywu s LEU 119 CO 0.72 -1.30 0.21 -0.69 0.02 0.00 0.00 176.35 175.31 1ywu s VAL 120 N 4.87 4.08 0.59 -1.59 1.01 -1.26 -5.02 120.40 123.07 1ywu s VAL 120 Ca 0.55 -1.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 1ywu s VAL 120 Cb -0.11 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.99 1ywu s VAL 120 CO 0.30 -0.30 0.89 -0.55 0.00 0.00 0.00 175.10 175.45 1ywu s SER 121 N -3.88 5.52 0.50 3.32 0.15 -1.26 -4.82 113.70 113.23 1ywu s SER 121 Ca 0.35 0.62 0.19 0.00 0.70 0.00 0.00 55.95 57.82 1ywu s SER 121 Cb -0.07 -1.60 1.25 0.00 -1.71 0.00 0.00 66.02 63.89 1ywu s SER 121 CO 0.25 -1.09 2.04 0.00 1.20 0.00 0.00 173.24 175.63 1ywu h ALA 122 N -0.16 2.21 -0.83 5.45 0.00 -1.93 -3.06 119.26 120.93 1ywu h ALA 122 Ca -0.45 -0.01 -0.51 0.00 0.00 0.00 0.00 54.91 53.94 1ywu h ALA 122 Cb 1.26 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 1ywu h ALA 122 CO 0.60 -0.31 1.46 -1.58 0.00 0.00 0.00 179.25 179.42 1ywu s HIS 123 N -5.14 2.34 -0.53 0.00 5.65 -1.26 -4.93 115.29 111.41 1ywu s HIS 123 Ca -0.06 -0.51 -0.25 0.00 0.25 0.00 0.00 55.06 54.49 1ywu s HIS 123 Cb 0.19 -4.45 0.04 0.00 -1.18 0.00 0.00 32.58 27.18 1ywu s HIS 123 CO 0.72 -1.72 0.97 0.34 -0.65 0.00 0.00 174.74 174.40 1ywu s ASP 124 N 5.68 6.40 0.00 9.88 3.68 -1.16 -5.09 116.67 136.06 1ywu s ASP 124 Ca 0.58 -0.17 0.30 0.00 2.13 0.00 0.00 52.55 55.39 1ywu s ASP 124 Cb -0.00 -2.46 1.81 0.00 -1.45 0.00 0.00 42.92 40.82 1ywu s ASP 124 CO 0.02 -1.22 2.14 -0.67 0.13 0.00 0.00 175.17 175.57