#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 0.00 0.00 7.83 2.88 -1.26 -5.11 113.62 117.96 1ywu n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ywu n SER 2 Cb 0.00 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1ywu n SER 2 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1ywu n ASP 3 N -1.21 0.00 -4.94 -3.46 5.68 -1.26 -5.13 116.55 106.24 1ywu n ASP 3 Ca 0.00 0.00 -0.21 0.00 -0.50 0.00 0.00 54.79 54.08 1ywu n ASP 3 Cb 0.00 0.24 0.08 0.00 -1.14 0.00 0.00 41.12 40.29 1ywu n ASP 3 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ywu s GLN 4 N -0.48 2.11 -0.06 0.11 1.03 -1.26 -5.15 119.66 115.96 1ywu s GLN 4 Ca 0.00 -1.53 -0.29 0.00 0.04 0.00 0.00 55.36 53.58 1ywu s GLN 4 Cb 0.00 -2.56 0.10 0.00 0.03 0.00 0.00 33.01 30.58 1ywu s GLN 4 CO 0.00 -1.04 0.86 -3.38 -2.54 0.00 0.00 175.29 169.18 1ywu s HIS 5 N -2.80 -0.44 0.54 9.60 -3.43 -1.26 -5.11 115.29 112.38 1ywu s HIS 5 Ca 0.63 0.59 -0.19 0.00 -0.80 0.00 0.00 55.06 55.30 1ywu s HIS 5 Cb -0.05 0.48 -0.06 0.00 -1.43 0.00 0.00 32.58 31.51 1ywu s HIS 5 CO 0.41 -0.51 1.06 -0.51 -2.00 0.00 0.00 174.74 173.19 1ywu s ASP 6 N -1.68 6.00 -0.22 7.38 1.11 -1.26 -5.03 116.67 122.97 1ywu s ASP 6 Ca -0.02 1.95 -0.16 0.00 0.18 0.00 0.00 52.55 54.50 1ywu s ASP 6 Cb -0.01 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 1ywu s ASP 6 CO -0.01 -1.02 0.42 -0.70 1.18 0.00 0.00 175.17 175.04 1ywu s GLU 7 N -3.53 4.13 -1.01 8.23 2.12 -1.26 -5.01 118.70 122.37 1ywu s GLU 7 Ca 0.67 0.20 -0.21 0.00 0.36 0.00 0.00 54.97 56.00 1ywu s GLU 7 Cb -0.18 -3.58 0.09 0.00 0.26 0.00 0.00 34.13 30.72 1ywu s GLU 7 CO 0.27 -0.13 1.34 1.03 -0.54 0.00 0.00 175.26 177.23 1ywu s ARG 8 N 1.61 3.64 -0.59 4.30 0.52 -1.26 -4.95 118.95 122.22 1ywu s ARG 8 Ca 0.19 -1.49 -0.20 0.00 -0.52 0.00 0.00 55.73 53.71 1ywu s ARG 8 Cb -0.15 -5.19 0.08 0.00 0.52 0.00 0.00 34.95 30.21 1ywu s ARG 8 CO 0.09 -2.03 0.77 1.03 0.02 0.00 0.00 175.30 175.18 1ywu s ARG 9 N 3.90 3.10 0.00 3.54 0.52 -1.26 -4.89 118.95 123.86 1ywu s ARG 9 Ca 0.41 -1.03 0.00 0.00 -0.52 0.00 0.00 55.73 54.59 1ywu s ARG 9 Cb -0.02 -4.21 0.00 0.00 0.52 0.00 0.00 34.95 31.25 1ywu s ARG 9 CO -0.08 -1.54 0.00 0.54 0.02 0.00 0.00 175.30 174.24 1ywu n ARG 10 N 6.73 0.00 -2.54 3.54 3.00 -1.26 -5.04 116.66 121.09 1ywu n ARG 10 Ca -0.07 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.35 1ywu n ARG 10 Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.88 1ywu n ARG 10 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.63 177.04 1ywu s PHE 11 N 1.13 3.30 -0.43 -1.55 -0.71 -1.26 -4.95 117.98 113.50 1ywu s PHE 11 Ca 0.00 1.35 0.07 0.00 -1.04 0.00 0.00 56.93 57.30 1ywu s PHE 11 Cb 0.00 -3.34 0.23 0.00 -1.21 0.00 0.00 43.02 38.70 1ywu s PHE 11 CO 0.00 -0.93 0.62 -2.39 -1.34 0.00 0.00 175.22 171.18 1ywu n HIS 12 N 5.17 -1.56 -4.98 3.49 1.44 -1.26 -5.12 115.22 112.40 1ywu n HIS 12 Ca 0.10 -2.84 0.00 0.00 -2.01 0.00 0.00 57.72 52.97 1ywu n HIS 12 Cb 0.47 0.42 0.00 0.00 0.12 0.00 0.00 29.99 31.00 1ywu n HIS 12 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1ywu n ARG 13 N 1.75 0.00 -3.03 -1.40 3.00 -1.26 -4.06 116.66 111.66 1ywu n ARG 13 Ca 0.18 0.00 -0.45 0.00 -0.01 0.00 0.00 57.85 57.58 1ywu n ARG 13 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.99 1ywu n ARG 13 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1ywu s ILE 14 N 0.00 4.99 -0.28 0.55 -1.09 -1.26 -4.88 121.20 119.23 1ywu s ILE 14 Ca 0.00 -1.90 0.00 0.00 -2.23 0.00 0.00 60.65 56.52 1ywu s ILE 14 Cb 0.00 -4.71 0.15 0.00 -1.58 0.00 0.00 42.46 36.32 1ywu s ILE 14 CO 0.00 -1.39 0.38 0.00 -1.23 0.00 0.00 174.94 172.70 1ywu s ALA 15 N 1.92 -1.07 0.52 9.38 0.00 -1.26 -1.69 121.76 129.56 1ywu s ALA 15 Ca 0.30 0.34 -0.06 0.00 0.00 0.00 0.00 51.96 52.54 1ywu s ALA 15 Cb -0.06 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.11 1ywu s ALA 15 CO -0.09 -1.60 0.83 -0.06 0.00 0.00 0.00 175.76 174.84 1ywu s PHE 16 N 2.52 3.50 -1.16 0.00 0.08 -1.26 -4.87 117.98 116.78 1ywu s PHE 16 Ca 0.10 0.81 -0.19 0.00 0.12 0.00 0.00 56.93 57.77 1ywu s PHE 16 Cb -0.13 -2.43 0.08 0.00 -0.57 0.00 0.00 43.02 39.97 1ywu s PHE 16 CO -0.26 -0.43 1.55 0.34 -0.10 0.00 0.00 175.22 176.31 1ywu s ASP 17 N -4.16 6.75 0.02 1.36 -1.08 -1.26 -4.92 116.67 113.38 1ywu s ASP 17 Ca 0.49 -2.18 0.02 0.00 -0.52 0.00 0.00 52.55 50.37 1ywu s ASP 17 Cb -0.10 -2.53 -0.02 0.00 -1.46 0.00 0.00 42.92 38.81 1ywu s ASP 17 CO 0.46 -1.20 -0.08 0.00 0.52 0.00 0.00 175.17 174.87 1ywu s ALA 18 N 3.93 0.60 -0.06 3.66 0.00 -1.26 -4.93 121.76 123.69 1ywu s ALA 18 Ca 0.48 -0.56 -0.30 0.00 0.00 0.00 0.00 51.96 51.59 1ywu s ALA 18 Cb 0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 1ywu s ALA 18 CO -0.00 0.06 1.61 -0.51 0.00 0.00 0.00 175.76 176.92 1ywu s ASP 19 N -0.93 6.70 -0.32 0.00 1.01 -1.09 -4.78 116.67 117.25 1ywu s ASP 19 Ca -0.04 2.18 -0.03 0.00 0.71 0.00 0.00 52.55 55.37 1ywu s ASP 19 Cb -0.06 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.38 1ywu s ASP 19 CO 0.00 -0.90 0.05 -0.44 0.21 0.00 0.00 175.17 174.09 1ywu s SER 20 N 3.16 5.07 -0.20 0.27 0.01 -1.25 -1.17 113.70 119.58 1ywu s SER 20 Ca 0.71 -1.28 -0.03 0.00 1.31 0.00 0.00 55.95 56.65 1ywu s SER 20 Cb -0.32 -1.78 -0.01 0.00 0.21 0.00 0.00 66.02 64.12 1ywu s SER 20 CO 0.28 -0.30 -0.05 -1.61 0.41 0.00 0.00 173.24 171.97 1ywu s GLU 21 N 1.30 3.44 -0.37 12.44 2.02 -0.47 -0.62 118.70 136.44 1ywu s GLU 21 Ca -0.03 -0.61 -0.16 0.00 0.02 0.00 0.00 54.97 54.19 1ywu s GLU 21 Cb -0.20 -2.96 0.00 0.00 0.10 0.00 0.00 34.13 31.07 1ywu s GLU 21 CO 0.00 -0.07 0.39 0.42 0.02 0.00 0.00 175.26 176.02 1ywu s ILE 22 N 1.15 5.13 -0.05 -1.63 1.09 0.33 -0.79 121.20 126.44 1ywu s ILE 22 Ca 0.02 -0.09 -0.14 0.00 -1.10 0.00 0.00 60.65 59.34 1ywu s ILE 22 Cb -0.14 -3.91 -0.05 0.00 -1.06 0.00 0.00 42.46 37.30 1ywu s ILE 22 CO -0.01 -0.22 0.36 -0.76 -0.10 0.00 0.00 174.94 174.21 1ywu s LEU 23 N 2.07 4.42 -0.78 2.97 1.43 0.45 -0.42 118.68 128.81 1ywu s LEU 23 Ca 0.12 0.82 0.02 0.00 -1.03 0.00 0.00 54.13 54.06 1ywu s LEU 23 Cb -0.17 -2.49 0.20 0.00 0.03 0.00 0.00 46.19 43.77 1ywu s LEU 23 CO 0.12 0.28 0.65 1.67 0.23 0.00 0.00 176.35 179.31 1ywu n GLN 24 N 2.22 2.26 0.00 1.70 7.27 0.27 -1.16 117.38 129.94 1ywu n GLN 24 Ca -0.14 -4.51 0.00 0.00 0.07 0.00 0.00 57.00 52.42 1ywu n GLN 24 Cb 0.53 -2.34 0.00 0.00 2.41 0.00 0.00 30.24 30.84 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 1.98 1.78 0.06 1.69 0.00 -1.26 -2.68 105.19 106.76 1ywu n GLY 25 Ca 0.22 0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.46 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 3.16 -4.27 1.61 0.28 -1.26 -5.02 120.64 115.14 1ywu n GLU 26 Ca 0.00 -0.30 -0.28 0.00 -0.16 0.00 0.00 57.16 56.41 1ywu n GLU 26 Cb 0.00 -0.82 -0.10 0.00 1.43 0.00 0.00 31.44 31.95 1ywu n GLU 26 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1ywu s ARG 27 N -0.84 2.04 -0.09 3.44 1.81 -1.09 -5.12 118.95 119.09 1ywu s ARG 27 Ca 0.02 -1.18 0.02 0.00 -1.72 0.00 0.00 55.73 52.88 1ywu s ARG 27 Cb 0.02 -2.20 0.01 0.00 -0.45 0.00 0.00 34.95 32.34 1ywu s ARG 27 CO 0.09 0.46 -0.16 -0.98 -0.68 0.00 0.00 175.30 174.03 1ywu s ARG 28 N -2.53 2.21 -0.45 3.54 1.70 -1.26 -0.56 118.95 121.59 1ywu s ARG 28 Ca 0.23 -0.58 -0.06 0.00 -0.47 0.00 0.00 55.73 54.85 1ywu s ARG 28 Cb -0.10 -1.81 0.12 0.00 -0.57 0.00 0.00 34.95 32.59 1ywu s ARG 28 CO 0.14 0.02 0.29 -1.58 -1.08 0.00 0.00 175.30 173.09 1ywu s TRP 29 N 0.74 3.50 -0.31 5.89 0.51 0.44 -4.95 118.94 124.77 1ywu s TRP 29 Ca -0.12 -2.15 -0.29 0.00 -2.12 0.00 0.00 56.10 51.42 1ywu s TRP 29 Cb -0.16 -3.37 0.01 0.00 -0.81 0.00 0.00 33.47 29.14 1ywu s TRP 29 CO 0.02 -0.98 1.23 -2.00 -0.51 0.00 0.00 176.95 174.71 1ywu s GLU 30 N 1.21 3.97 0.23 4.98 2.12 -1.26 -0.51 118.70 129.42 1ywu s GLU 30 Ca 0.07 1.19 0.00 0.00 0.36 0.00 0.00 54.97 56.60 1ywu s GLU 30 Cb -0.24 -3.83 -0.05 0.00 0.26 0.00 0.00 34.13 30.27 1ywu s GLU 30 CO -0.02 -1.05 0.10 0.54 -0.54 0.00 0.00 175.26 174.29 1ywu s VAL 31 N 4.13 0.32 0.01 3.70 0.11 0.21 -5.01 120.40 123.86 1ywu s VAL 31 Ca 0.53 -2.00 -0.18 0.00 -2.93 0.00 0.00 61.98 57.40 1ywu s VAL 31 Cb -0.15 -2.54 -0.06 0.00 -1.53 0.00 0.00 36.38 32.10 1ywu s VAL 31 CO 0.21 -0.04 0.53 -0.22 -3.33 0.00 0.00 175.10 172.25 1ywu s LEU 32 N -3.23 4.45 0.38 2.54 2.96 -1.26 -3.89 118.68 120.63 1ywu s LEU 32 Ca 0.37 1.10 -0.13 0.00 -0.22 0.00 0.00 54.13 55.25 1ywu s LEU 32 Cb 0.07 -2.81 -0.08 0.00 0.50 0.00 0.00 46.19 43.88 1ywu s LEU 32 CO 0.12 0.20 0.78 -0.22 -1.32 0.00 0.00 176.35 175.91 1ywu s LEU 33 N -0.59 3.90 0.00 -0.68 2.96 -1.26 -0.45 118.68 122.56 1ywu s LEU 33 Ca 0.28 1.25 0.00 0.00 -0.22 0.00 0.00 54.13 55.44 1ywu s LEU 33 Cb -0.18 -4.11 0.00 0.00 0.50 0.00 0.00 46.19 42.40 1ywu s LEU 33 CO 0.16 -0.34 0.00 1.41 -1.32 0.00 0.00 176.35 176.26 1ywu n HIS 34 N -0.94 0.00 -3.49 5.38 8.25 -0.18 -4.81 115.22 119.42 1ywu n HIS 34 Ca 0.03 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.39 1ywu n HIS 34 Cb 0.54 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 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 -3.36 -0.45 -0.23 0.41 2.15 -1.10 -4.40 116.67 109.68 1ywu s ASP 35 Ca 0.00 0.13 -0.20 0.00 0.43 0.00 0.00 52.55 52.91 1ywu s ASP 35 Cb 0.00 0.45 0.06 0.00 -0.30 0.00 0.00 42.92 43.13 1ywu s ASP 35 CO 0.00 -0.68 0.61 0.54 -0.17 0.00 0.00 175.17 175.47 1ywu s VAL 36 N -2.83 -0.00 0.00 1.11 0.11 -0.68 -0.35 120.40 117.76 1ywu s VAL 36 Ca 0.01 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 1ywu s VAL 36 Cb -0.01 -0.85 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 1ywu s VAL 36 CO -0.07 0.00 0.00 -1.20 -3.33 0.00 0.00 175.10 170.50 1ywu n SER 37 N 2.92 0.00 0.27 3.54 7.64 0.44 -4.83 113.62 123.61 1ywu n SER 37 Ca -0.15 -0.94 0.15 0.00 1.01 0.00 0.00 58.87 58.95 1ywu n SER 37 Cb 0.56 0.00 0.65 0.00 -1.01 0.00 0.00 64.21 64.41 1ywu n SER 37 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1ywu h LEU 38 N 0.00 0.00 -3.05 -3.43 5.85 -1.97 -3.05 115.31 109.66 1ywu h LEU 38 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ywu h LEU 38 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1ywu h LEU 38 CO 0.00 0.07 0.00 0.00 -0.34 0.00 0.00 178.44 178.17 1ywu n HIS 39 N -3.21 0.61 0.00 1.25 1.44 -1.26 -4.66 115.22 109.39 1ywu n HIS 39 Ca 0.00 -0.68 0.00 0.00 -2.01 0.00 0.00 57.72 55.04 1ywu n HIS 39 Cb 0.32 -0.15 0.00 0.00 0.12 0.00 0.00 29.99 30.28 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 -0.05 0.62 2.97 -1.39 0.00 -1.15 -3.93 105.19 102.25 1ywu n GLY 40 Ca 0.15 -1.59 -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 -1.61 -0.02 -0.27 -0.61 2.07 0.45 -0.42 121.20 120.80 1ywu s ILE 41 Ca 0.00 0.08 -0.06 0.00 -1.41 0.00 0.00 60.65 59.26 1ywu s ILE 41 Cb 0.00 -0.21 0.00 0.00 0.13 0.00 0.00 42.46 42.39 1ywu s ILE 41 CO 0.00 0.03 0.04 -0.22 -1.91 0.00 0.00 174.94 172.88 1ywu s LEU 42 N 0.56 3.56 0.31 8.50 2.96 0.52 -0.58 118.68 134.51 1ywu s LEU 42 Ca -0.04 -0.61 0.09 0.00 -0.22 0.00 0.00 54.13 53.35 1ywu s LEU 42 Cb -0.06 -1.84 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 1ywu s LEU 42 CO -0.03 -0.14 0.01 0.68 -1.32 0.00 0.00 176.35 175.56 1ywu s VAL 43 N 1.49 2.94 -0.36 1.68 -7.23 -0.18 -1.02 120.40 117.72 1ywu s VAL 43 Ca 0.03 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.28 1ywu s VAL 43 Cb -0.16 -2.80 0.10 0.00 0.56 0.00 0.00 36.38 34.08 1ywu s VAL 43 CO 0.01 -0.27 0.09 -0.83 -0.31 0.00 0.00 175.10 173.79 1ywu s GLY 44 N -3.71 1.98 -0.17 2.32 0.00 0.40 -0.79 107.32 107.36 1ywu s GLY 44 Ca 0.34 -2.59 0.00 0.00 0.00 0.00 0.00 44.72 42.47 1ywu s GLY 44 CO 0.20 0.96 -0.16 1.62 0.00 0.00 0.00 173.10 175.71 1ywu s GLN 45 N 0.86 3.13 0.45 2.90 0.74 -0.13 -4.00 119.66 123.60 1ywu s GLN 45 Ca 0.11 -0.78 0.31 0.00 0.05 0.00 0.00 55.36 55.05 1ywu s GLN 45 Cb -0.20 -2.64 1.52 0.00 1.10 0.00 0.00 33.01 32.79 1ywu s GLN 45 CO -0.07 -0.11 1.93 -1.35 -0.55 0.00 0.00 175.29 175.14 1ywu h PRO 46 N 7.69 0.00 -5.26 1.67 0.11 -1.93 -3.38 132.00 130.90 1ywu h PRO 46 Ca -0.39 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.11 1ywu h PRO 46 Cb 1.17 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.15 1ywu h PRO 46 CO 0.60 0.00 -0.45 -0.65 -0.21 0.00 0.00 178.00 177.29 1ywu s GLN 47 N -3.69 4.17 -0.64 1.05 -1.52 -1.26 -4.82 119.66 112.95 1ywu s GLN 47 Ca -0.01 -0.16 -0.22 0.00 -1.95 0.00 0.00 55.36 53.02 1ywu s GLN 47 Cb 0.09 -3.46 0.08 0.00 -0.22 0.00 0.00 33.01 29.50 1ywu s GLN 47 CO 0.37 0.21 0.91 0.34 -0.25 0.00 0.00 175.29 176.87 1ywu s ASP 48 N 0.59 6.18 0.70 5.90 -1.08 -1.26 -4.93 116.67 122.77 1ywu s ASP 48 Ca 0.10 -1.06 -0.03 0.00 -0.52 0.00 0.00 52.55 51.04 1ywu s ASP 48 Cb -0.12 -2.40 0.10 0.00 -1.46 0.00 0.00 42.92 39.04 1ywu s ASP 48 CO 0.01 -1.37 0.98 -1.66 0.52 0.00 0.00 175.17 173.64 1ywu s TRP 49 N 3.80 2.22 -0.45 -5.34 1.48 -1.26 -5.08 118.94 114.31 1ywu s TRP 49 Ca 0.20 0.02 0.05 0.00 -1.06 0.00 0.00 56.10 55.32 1ywu s TRP 49 Cb -0.18 -3.10 0.18 0.00 -1.16 0.00 0.00 33.47 29.21 1ywu s TRP 49 CO 0.10 -1.53 0.50 1.21 -4.06 0.00 0.00 176.95 173.17 1ywu s ASN 50 N -4.62 0.19 0.09 -2.66 3.84 -1.26 -4.88 114.94 105.63 1ywu s ASN 50 Ca 0.63 -2.31 0.20 0.00 0.21 0.00 0.00 52.86 51.60 1ywu s ASN 50 Cb -0.08 0.66 -0.13 0.00 -0.55 0.00 0.00 41.25 41.16 1ywu s ASN 50 CO 0.44 -0.13 0.80 0.61 -2.79 0.00 0.00 177.10 176.02 1ywu n GLY 51 N 3.09 -1.26 0.00 1.21 0.00 -1.26 -5.09 105.19 101.88 1ywu n GLY 51 Ca 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1ywu n GLY 51 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ywu n ASP 52 N -2.66 -0.30 0.00 1.61 -0.08 -1.26 -4.44 116.55 109.41 1ywu n ASP 52 Ca -0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 1ywu n ASP 52 Cb 0.68 0.62 0.00 0.00 2.34 0.00 0.00 41.12 44.76 1ywu n ASP 52 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1ywu n PRO 53 N -0.01 0.00 0.00 -0.67 -0.02 -1.26 -0.69 135.00 132.35 1ywu n PRO 53 Ca 0.00 0.02 0.12 0.00 -2.02 0.00 0.00 63.50 61.63 1ywu n PRO 53 Cb 0.00 -1.51 0.30 0.00 -0.02 0.00 0.00 33.50 32.28 1ywu n PRO 53 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1ywu n GLN 54 N -0.93 0.66 -2.91 -0.52 3.00 -1.26 -4.40 117.38 111.01 1ywu n GLN 54 Ca 0.00 -0.41 -0.41 0.00 -0.01 0.00 0.00 57.00 56.17 1ywu n GLN 54 Cb 0.01 -1.49 -0.04 0.00 0.00 0.00 0.00 30.24 28.71 1ywu n GLN 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1ywu s ARG 55 N -2.63 4.36 0.03 -1.09 1.81 0.13 -5.04 118.95 116.54 1ywu s ARG 55 Ca 0.20 1.02 -0.30 0.00 -1.72 0.00 0.00 55.73 54.93 1ywu s ARG 55 Cb 0.19 -3.53 -0.05 0.00 -0.45 0.00 0.00 34.95 31.10 1ywu s ARG 55 CO 0.58 -0.20 1.22 -1.25 -0.68 0.00 0.00 175.30 174.96 1ywu s PRO 56 N 1.69 4.40 0.17 3.54 0.04 -1.26 -4.00 135.00 139.58 1ywu s PRO 56 Ca 0.39 1.77 0.10 0.00 0.04 0.00 0.00 61.00 63.30 1ywu s PRO 56 Cb -0.17 -3.40 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 1ywu s PRO 56 CO 0.15 -0.32 -0.21 -0.06 0.04 0.00 0.00 177.00 176.61 1ywu s PHE 57 N 1.39 1.99 -0.05 0.56 0.08 -0.58 -4.55 117.98 116.83 1ywu s PHE 57 Ca 0.59 -0.42 0.05 0.00 0.12 0.00 0.00 56.93 57.27 1ywu s PHE 57 Cb -0.29 -1.00 -0.02 0.00 -0.57 0.00 0.00 43.02 41.14 1ywu s PHE 57 CO 0.28 0.38 -0.21 -1.21 -0.10 0.00 0.00 175.22 174.36 1ywu s GLU 58 N -2.67 2.44 -0.28 0.44 2.02 -0.31 -0.40 118.70 119.93 1ywu s GLU 58 Ca 0.17 -0.82 -0.08 0.00 0.02 0.00 0.00 54.97 54.26 1ywu s GLU 58 Cb -0.07 -2.23 -0.01 0.00 0.10 0.00 0.00 34.13 31.92 1ywu s GLU 58 CO 0.08 0.52 0.10 0.00 0.02 0.00 0.00 175.26 175.98 1ywu s ALA 59 N -0.49 3.18 -0.30 5.21 0.00 -0.57 -0.41 121.76 128.37 1ywu s ALA 59 Ca 0.06 -1.29 -0.03 0.00 0.00 0.00 0.00 51.96 50.70 1ywu s ALA 59 Cb -0.11 -2.19 0.04 0.00 0.00 0.00 0.00 23.12 20.85 1ywu s ALA 59 CO 0.01 -0.73 0.01 1.03 0.00 0.00 0.00 175.76 176.09 1ywu s ARG 60 N 1.59 2.55 -0.29 0.00 1.81 0.03 -2.37 118.95 122.27 1ywu s ARG 60 Ca 0.05 -1.19 -0.08 0.00 -1.72 0.00 0.00 55.73 52.79 1ywu s ARG 60 Cb -0.16 -3.21 -0.01 0.00 -0.45 0.00 0.00 34.95 31.12 1ywu s ARG 60 CO 0.04 -0.59 0.10 -0.51 -0.68 0.00 0.00 175.30 173.66 1ywu s LEU 61 N 1.30 3.83 -0.50 2.53 1.43 0.44 -1.37 118.68 126.34 1ywu s LEU 61 Ca -0.04 -0.51 -0.15 0.00 -1.03 0.00 0.00 54.13 52.40 1ywu s LEU 61 Cb -0.19 -1.93 0.10 0.00 0.03 0.00 0.00 46.19 44.20 1ywu s LEU 61 CO -0.01 -0.15 0.43 -0.31 0.23 0.00 0.00 176.35 176.54 1ywu s TYR 62 N 1.57 3.27 -1.09 0.29 1.51 -0.32 -1.27 117.35 121.31 1ywu s TYR 62 Ca 0.04 -1.22 0.26 0.00 -1.01 0.00 0.00 57.07 55.14 1ywu s TYR 62 Cb -0.17 -3.48 0.62 0.00 -0.11 0.00 0.00 41.96 38.83 1ywu s TYR 62 CO 0.04 -0.92 1.49 1.28 -1.11 0.00 0.00 175.55 176.33 1ywu n LEU 63 N 5.18 0.50 0.00 -1.29 7.99 -0.79 -2.67 117.00 125.93 1ywu n LEU 63 Ca -0.13 0.03 0.00 0.00 -0.01 0.00 0.00 56.01 55.90 1ywu n LEU 63 Cb 0.42 -0.26 0.00 0.00 -0.11 0.00 0.00 43.42 43.47 1ywu n LEU 63 CO 0.49 0.12 0.00 0.61 -1.51 0.00 0.00 177.39 177.10 1ywu n GLY 64 N 1.48 -1.22 0.07 -0.72 0.00 -1.08 -4.85 105.19 98.86 1ywu n GLY 64 Ca 0.07 -0.85 -0.07 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 0.01 0.99 5.85 -2.01 -3.34 115.31 116.81 1ywu h LEU 65 Ca 0.00 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.36 1ywu h LEU 65 Cb 0.00 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 1ywu h LEU 65 CO 0.00 0.97 -2.23 -0.67 -0.34 0.00 0.00 178.44 176.17 1ywu n ASP 66 N -3.33 0.59 -4.45 1.25 -0.08 -1.26 -4.80 116.55 104.47 1ywu n ASP 66 Ca -0.01 0.08 -0.43 0.00 -1.51 0.00 0.00 54.79 52.92 1ywu n ASP 66 Cb 0.93 0.46 -0.04 0.00 2.34 0.00 0.00 41.12 44.82 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 -2.52 4.38 -0.13 5.18 1.01 -1.25 -5.00 120.40 122.07 1ywu s VAL 67 Ca -0.13 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1ywu s VAL 67 Cb 0.07 -4.68 0.00 0.00 0.00 0.00 0.00 36.38 31.77 1ywu s VAL 67 CO 0.79 -1.44 -0.21 -0.22 0.00 0.00 0.00 175.10 174.02 1ywu s LEU 68 N 3.88 2.20 -0.09 3.92 2.96 -1.26 -1.88 118.68 128.42 1ywu s LEU 68 Ca 0.22 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 1ywu s LEU 68 Cb -0.16 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 1ywu s LEU 68 CO 0.08 0.10 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.46 1ywu s ILE 69 N 0.68 3.18 -0.02 6.68 1.01 -0.40 -4.82 121.20 127.50 1ywu s ILE 69 Ca -0.10 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 59.81 1ywu s ILE 69 Cb -0.16 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 40.03 1ywu s ILE 69 CO 0.01 0.56 0.19 0.00 0.00 0.00 0.00 174.94 175.70 1ywu s ARG 70 N -0.29 0.44 -0.15 2.79 1.70 -1.26 -0.42 118.95 121.75 1ywu s ARG 70 Ca 0.03 -0.16 -0.17 0.00 -0.47 0.00 0.00 55.73 54.96 1ywu s ARG 70 Cb -0.13 0.19 0.04 0.00 -0.57 0.00 0.00 34.95 34.49 1ywu s ARG 70 CO 0.03 -0.10 0.46 0.00 -1.08 0.00 0.00 175.30 174.61 1ywu s MET 71 N -0.92 0.58 -0.43 3.89 0.23 -1.00 -3.52 119.30 118.14 1ywu s MET 71 Ca -0.10 0.54 -0.28 0.00 -1.03 0.00 0.00 55.69 54.82 1ywu s MET 71 Cb -0.05 0.28 0.02 0.00 -1.53 0.00 0.00 34.83 33.55 1ywu s MET 71 CO 0.02 -0.09 1.04 -1.21 -2.03 0.00 0.00 175.02 172.75 1ywu s GLU 72 N 0.00 3.76 0.36 3.16 8.01 0.44 -1.51 118.70 132.92 1ywu s GLU 72 Ca -0.02 0.57 0.08 0.00 0.01 0.00 0.00 54.97 55.60 1ywu s GLU 72 Cb -0.03 -3.86 -0.04 0.00 -4.31 0.00 0.00 34.13 25.88 1ywu s GLU 72 CO 0.02 -1.19 0.19 0.96 0.01 0.00 0.00 175.26 175.25 1ywu s ILE 73 N 3.99 2.96 -0.05 -1.63 -4.36 0.46 -1.18 121.20 121.40 1ywu s ILE 73 Ca 0.43 -1.61 0.03 0.00 -0.26 0.00 0.00 60.65 59.24 1ywu s ILE 73 Cb -0.09 -3.01 0.00 0.00 1.25 0.00 0.00 42.46 40.61 1ywu s ILE 73 CO 0.25 -0.14 -0.15 -0.94 0.24 0.00 0.00 174.94 174.21 1ywu s SER 74 N -3.90 1.94 0.00 4.36 1.04 0.45 -1.52 113.70 116.06 1ywu s SER 74 Ca 0.40 -0.32 -0.31 0.00 0.48 0.00 0.00 55.95 56.20 1ywu s SER 74 Cb -0.02 -0.67 -0.10 0.00 0.10 0.00 0.00 66.02 65.34 1ywu s SER 74 CO 0.24 0.10 1.96 -0.11 0.98 0.00 0.00 173.24 176.41 1ywu n LEU 75 N 3.39 3.99 -0.13 2.42 7.94 -1.26 -0.38 117.00 132.98 1ywu n LEU 75 Ca -0.20 0.91 -0.26 0.00 -1.11 0.00 0.00 56.01 55.35 1ywu n LEU 75 Cb 0.53 -1.49 -0.09 0.00 0.53 0.00 0.00 43.42 42.90 1ywu n LEU 75 CO 0.25 0.13 -1.34 0.00 -1.11 0.00 0.00 177.39 175.33 1ywu n ALA 76 N 7.39 1.31 -3.50 1.96 0.00 -0.92 -4.19 120.51 122.56 1ywu n ALA 76 Ca 0.21 -1.01 -0.15 0.00 0.00 0.00 0.00 53.44 52.48 1ywu n ALA 76 Cb 0.38 0.16 -0.07 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.50 -0.62 -0.22 0.00 1.48 -0.79 -4.93 118.94 111.36 1ywu s TRP 77 Ca -0.36 1.32 0.02 0.00 -1.06 0.00 0.00 56.10 56.02 1ywu s TRP 77 Cb 0.13 0.29 0.05 0.00 -1.16 0.00 0.00 33.47 32.78 1ywu s TRP 77 CO 0.45 -0.45 -0.12 0.00 -4.06 0.00 0.00 176.95 172.78 1ywu s ALA 78 N -0.44 2.26 -0.39 2.67 0.00 -1.26 -0.45 121.76 124.15 1ywu s ALA 78 Ca -0.06 -1.42 0.04 0.00 0.00 0.00 0.00 51.96 50.51 1ywu s ALA 78 Cb -0.03 -1.39 0.11 0.00 0.00 0.00 0.00 23.12 21.81 1ywu s ALA 78 CO 0.05 -0.91 0.12 0.50 0.00 0.00 0.00 175.76 175.51 1ywu s ARG 79 N 1.27 1.57 -0.01 0.00 6.06 0.48 -4.83 118.95 123.49 1ywu s ARG 79 Ca -0.03 -2.05 0.00 0.00 -2.50 0.00 0.00 55.73 51.15 1ywu s ARG 79 Cb -0.17 -3.15 0.00 0.00 0.06 0.00 0.00 34.95 31.69 1ywu s ARG 79 CO -0.08 -1.00 0.00 -3.47 -2.50 0.00 0.00 175.30 168.26 1ywu n ASP 80 N 3.95 -5.64 0.00 -2.12 2.03 -1.26 -0.84 116.55 112.66 1ywu n ASP 80 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1ywu n ASP 80 Cb 0.39 -3.16 0.00 0.00 -0.72 0.00 0.00 41.12 37.64 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 0.52 1.34 3.54 0.27 0.00 -1.26 -4.95 105.19 104.65 1ywu n GLY 81 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ywu n GLY 81 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ywu s LEU 82 N 0.00 4.43 -0.24 0.99 1.43 -0.02 -0.96 118.68 124.31 1ywu s LEU 82 Ca 0.00 -0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 52.89 1ywu s LEU 82 Cb 0.00 -2.62 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 1ywu s LEU 82 CO 0.00 -0.58 0.03 -0.76 0.23 0.00 0.00 176.35 175.27 1ywu s LEU 83 N 2.51 3.24 -0.33 1.79 1.02 0.03 -0.38 118.68 126.55 1ywu s LEU 83 Ca 0.20 -0.30 -0.11 0.00 0.02 0.00 0.00 54.13 53.94 1ywu s LEU 83 Cb -0.15 -1.85 -0.00 0.00 0.02 0.00 0.00 46.19 44.21 1ywu s LEU 83 CO 0.15 -0.04 0.18 -0.83 0.02 0.00 0.00 176.35 175.84 1ywu s GLY 84 N 1.56 1.90 -0.09 -3.19 0.00 0.40 -1.01 107.32 106.90 1ywu s GLY 84 Ca 0.06 -1.44 -0.06 0.00 0.00 0.00 0.00 44.72 43.29 1ywu s GLY 84 CO 0.01 0.74 0.15 -1.36 0.00 0.00 0.00 173.10 172.64 1ywu s PHE 85 N 1.63 3.59 -0.20 1.90 0.40 0.26 -1.88 117.98 123.68 1ywu s PHE 85 Ca 0.05 0.48 -0.16 0.00 -0.60 0.00 0.00 56.93 56.70 1ywu s PHE 85 Cb -0.17 -1.91 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 1ywu s PHE 85 CO 0.07 0.71 0.42 -2.00 0.70 0.00 0.00 175.22 175.12 1ywu s GLU 86 N -1.28 4.19 -0.44 0.44 2.12 0.49 -0.41 118.70 123.81 1ywu s GLU 86 Ca 0.18 0.24 -0.28 0.00 0.36 0.00 0.00 54.97 55.47 1ywu s GLU 86 Cb -0.12 -3.53 0.01 0.00 0.26 0.00 0.00 34.13 30.74 1ywu s GLU 86 CO 0.08 -0.04 1.48 0.00 -0.54 0.00 0.00 175.26 176.24 1ywu h GLN 88 N 11.21 0.00 -4.78 0.00 4.20 -1.47 -3.44 115.11 120.83 1ywu h GLN 88 Ca -0.28 0.00 -0.68 0.00 0.06 0.00 0.00 58.65 57.75 1ywu h GLN 88 Cb 1.11 0.00 -0.35 0.00 0.30 0.00 0.00 27.48 28.54 1ywu h GLN 88 CO 1.10 0.00 -0.73 -1.58 -0.67 0.00 0.00 178.83 176.96 1ywu s HIS 89 N -1.55 3.33 -0.23 2.96 5.04 -0.72 -5.00 115.29 119.11 1ywu s HIS 89 Ca -0.02 -2.16 -0.11 0.00 -1.54 0.00 0.00 55.06 51.23 1ywu s HIS 89 Cb 0.00 -2.19 -0.05 0.00 0.04 0.00 0.00 32.58 30.38 1ywu s HIS 89 CO 0.03 -0.85 0.18 0.42 -2.34 0.00 0.00 174.74 172.18 1ywu s ILE 90 N 1.17 5.35 0.48 0.89 1.09 -1.26 -0.42 121.20 128.50 1ywu s ILE 90 Ca -0.04 0.23 -0.24 0.00 -1.10 0.00 0.00 60.65 59.50 1ywu s ILE 90 Cb -0.20 -3.52 -0.07 0.00 -1.06 0.00 0.00 42.46 37.61 1ywu s ILE 90 CO -0.03 0.34 1.40 -0.62 -0.10 0.00 0.00 174.94 175.93 1ywu s ASP 91 N 1.01 5.67 0.23 3.58 2.15 -1.23 -4.82 116.67 123.26 1ywu s ASP 91 Ca 0.09 2.86 -0.08 0.00 0.43 0.00 0.00 52.55 55.85 1ywu s ASP 91 Cb -0.13 -2.65 0.24 0.00 -0.30 0.00 0.00 42.92 40.08 1ywu s ASP 91 CO 0.04 -1.31 1.88 -0.07 -0.17 0.00 0.00 175.17 175.54 1ywu h LEU 92 N 2.03 0.91 -0.63 -1.34 4.07 -1.97 0.41 115.31 118.78 1ywu h LEU 92 Ca -0.51 -0.01 -0.13 0.00 0.08 0.00 0.00 57.88 57.31 1ywu h LEU 92 Cb 1.28 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 1ywu h LEU 92 CO 0.60 0.63 -0.64 -0.78 -1.08 0.00 0.00 178.44 177.17 1ywu h ASP 93 N 1.06 0.00 -0.52 -0.43 3.58 -1.98 -1.70 116.42 116.44 1ywu h ASP 93 Ca 0.33 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.76 1ywu h ASP 93 Cb -0.02 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 1ywu h ASP 93 CO -0.11 0.64 0.24 -1.28 -2.88 0.00 0.00 179.24 175.85 1ywu h SER 94 N 0.00 0.68 -0.19 2.28 0.87 -1.52 0.30 113.55 115.96 1ywu h SER 94 Ca -0.01 -0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.39 1ywu h SER 94 Cb 1.19 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 1ywu h SER 94 CO 0.08 0.63 0.02 0.40 -0.53 0.00 0.00 176.83 177.43 1ywu h ILE 95 N 0.69 1.24 -0.60 2.23 2.04 -0.68 -0.66 117.51 121.76 1ywu h ILE 95 Ca 0.18 -0.78 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 1ywu h ILE 95 Cb 0.13 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 1ywu h ILE 95 CO -0.02 0.24 0.27 0.77 0.00 0.00 0.00 178.15 179.41 1ywu h SER 96 N 0.10 0.79 -0.22 1.72 4.64 -1.22 0.14 113.55 119.50 1ywu h SER 96 Ca 0.06 -0.14 0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1ywu h SER 96 Cb 0.34 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1ywu h SER 96 CO 0.01 0.72 0.10 0.45 -0.87 0.00 0.00 176.83 177.24 1ywu h HIS 97 N 0.82 0.19 -0.27 4.77 3.86 -0.86 0.11 115.15 123.77 1ywu h HIS 97 Ca 0.20 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.44 1ywu h HIS 97 Cb 0.14 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 1ywu h HIS 97 CO 0.00 0.11 0.15 1.25 0.86 0.00 0.00 177.93 180.30 1ywu h LEU 98 N 0.22 0.23 -0.15 2.43 5.85 -0.70 -0.20 115.31 122.99 1ywu h LEU 98 Ca 0.09 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1ywu h LEU 98 Cb 0.03 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1ywu h LEU 98 CO -0.07 0.17 0.06 -0.09 -0.34 0.00 0.00 178.44 178.18 1ywu h ARG 99 N 0.31 0.22 -0.34 1.25 9.65 -0.46 -1.50 114.38 123.51 1ywu h ARG 99 Ca 0.11 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 58.89 1ywu h ARG 99 Cb 0.02 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.54 1ywu h ARG 99 CO -0.06 0.30 -0.06 0.00 2.80 0.00 0.00 179.97 182.95 1ywu h ARG 100 N 0.09 0.56 -0.69 0.20 2.47 -0.65 -1.52 114.38 114.85 1ywu h ARG 100 Ca 0.05 -0.14 -0.01 0.00 -1.26 0.00 0.00 59.98 58.62 1ywu h ARG 100 Cb 0.16 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.38 1ywu h ARG 100 CO -0.00 0.63 0.41 1.25 0.56 0.00 0.00 179.97 182.81 1ywu h LEU 101 N 0.53 0.84 -0.83 3.04 5.85 -0.78 -1.95 115.31 122.00 1ywu h LEU 101 Ca 0.10 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1ywu h LEU 101 Cb 0.43 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1ywu h LEU 101 CO 0.02 0.66 0.53 0.58 -0.34 0.00 0.00 178.44 179.89 1ywu h VAL 102 N 0.94 1.14 -0.46 1.05 2.07 -0.39 -0.91 116.25 119.69 1ywu h VAL 102 Ca 0.25 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1ywu h VAL 102 Cb -0.01 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 1ywu h VAL 102 CO -0.04 0.19 0.20 -0.33 0.02 0.00 0.00 177.57 177.60 1ywu h GLU 103 N 1.04 0.64 0.17 1.57 4.39 -0.74 0.22 114.58 121.87 1ywu h GLU 103 Ca 0.33 -0.08 -0.26 0.00 0.34 0.00 0.00 59.36 59.69 1ywu h GLU 103 Cb -0.01 -0.12 0.03 0.00 -0.10 0.00 0.00 28.75 28.55 1ywu h GLU 103 CO -0.11 0.52 -1.11 -0.07 -1.16 0.00 0.00 179.01 177.09 1ywu h LEU 104 N 0.64 0.67 -1.36 1.33 3.38 -0.60 -3.32 115.31 116.05 1ywu h LEU 104 Ca 0.16 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1ywu h LEU 104 Cb 0.11 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1ywu h LEU 104 CO -0.02 1.53 -0.20 -0.46 0.09 0.00 0.00 178.44 179.38 1ywu n ASN 105 N -3.94 2.32 -2.06 -0.43 0.23 -0.43 -4.96 115.26 105.99 1ywu n ASN 105 Ca -0.15 -1.67 -0.18 0.00 -0.53 0.00 0.00 54.58 52.05 1ywu n ASN 105 Cb 0.94 0.19 -0.00 0.00 -2.08 0.00 0.00 39.78 38.83 1ywu n ASN 105 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1ywu n LEU 106 N 0.54 -1.88 -3.76 -4.53 4.32 0.73 -4.89 117.00 107.54 1ywu n LEU 106 Ca 0.13 -0.04 -0.42 0.00 -0.02 0.00 0.00 56.01 55.65 1ywu n LEU 106 Cb 0.50 -2.55 -0.03 0.00 -1.62 0.00 0.00 43.42 39.73 1ywu n LEU 106 CO 0.21 -0.14 2.34 0.61 -1.22 0.00 0.00 177.39 179.20 1ywu n GLY 107 N -1.06 3.35 2.78 -0.72 0.00 -1.05 -4.92 105.19 103.57 1ywu n GLY 107 Ca -0.20 -1.40 -0.40 0.00 0.00 0.00 0.00 46.02 44.02 1ywu n GLY 107 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ywu n ASP 108 N 7.20 -0.85 0.07 1.61 2.03 -1.26 -4.80 116.55 120.55 1ywu n ASP 108 Ca 0.50 0.92 0.08 0.00 0.52 0.00 0.00 54.79 56.82 1ywu n ASP 108 Cb 0.40 -0.77 0.36 0.00 -0.72 0.00 0.00 41.12 40.40 1ywu n ASP 108 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1ywu n GLU 109 N 0.88 0.09 -0.29 -0.67 0.28 -1.26 -2.40 120.64 117.27 1ywu n GLU 109 Ca 0.15 0.43 0.06 0.00 -0.16 0.00 0.00 57.16 57.64 1ywu n GLU 109 Cb 0.18 -1.71 0.28 0.00 1.43 0.00 0.00 31.44 31.62 1ywu n GLU 109 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1ywu h GLU 110 N 0.00 0.91 0.00 3.44 4.22 -1.97 0.88 114.58 122.07 1ywu h GLU 110 Ca 0.00 -0.05 -0.10 0.00 0.08 0.00 0.00 59.36 59.29 1ywu h GLU 110 Cb 0.19 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1ywu h GLU 110 CO 0.00 0.60 -0.47 -0.07 -2.18 0.00 0.00 179.01 176.89 1ywu h LEU 111 N 0.94 0.00 -0.39 1.64 3.38 -1.80 -2.57 115.31 116.51 1ywu h LEU 111 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1ywu h LEU 111 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1ywu h LEU 111 CO -0.16 0.47 0.00 -0.07 0.09 0.00 0.00 178.44 178.77 1ywu h LEU 112 N 0.00 0.00 -3.43 1.67 3.38 -1.04 -3.20 115.31 112.69 1ywu h LEU 112 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ywu h LEU 112 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1ywu h LEU 112 CO 0.06 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.97 1ywu n GLU 113 N -2.98 4.46 0.00 1.13 -0.58 -0.34 -4.17 120.64 118.16 1ywu n GLU 113 Ca 0.03 -3.07 0.00 0.00 -0.42 0.00 0.00 57.16 53.70 1ywu n GLU 113 Cb 0.45 -2.13 0.00 0.00 -0.57 0.00 0.00 31.44 29.19 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 0.71 0.94 -4.39 3.49 1.74 -1.21 -5.05 116.66 112.89 1ywu n ARG 114 Ca 0.27 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 57.10 1ywu n ARG 114 Cb 1.09 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 32.44 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 -0.16 1.89 0.42 5.56 -6.30 -1.26 -4.96 118.70 113.88 1ywu s GLU 115 Ca 0.00 -1.56 0.10 0.00 -2.50 0.00 0.00 54.97 51.01 1ywu s GLU 115 Cb 0.00 -1.95 0.94 0.00 0.00 0.00 0.00 34.13 33.12 1ywu s GLU 115 CO 0.00 0.37 2.01 1.25 0.02 0.00 0.00 175.26 178.91 1ywu h LEU 116 N 2.39 0.43 -0.12 2.70 5.85 -1.95 0.45 115.31 125.06 1ywu h LEU 116 Ca -0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1ywu h LEU 116 Cb 1.24 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1ywu h LEU 116 CO 0.58 0.28 0.00 0.00 -0.34 0.00 0.00 178.44 178.96 1ywu n ALA 117 N -2.49 1.84 0.73 1.25 0.00 -1.26 -2.20 120.51 118.38 1ywu n ALA 117 Ca 0.07 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.56 1ywu n ALA 117 Cb 0.23 -1.32 0.07 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.67 2.45 -4.44 0.00 4.77 0.15 -4.82 117.00 113.43 1ywu n LEU 118 Ca 0.04 -0.99 -0.44 0.00 -0.03 0.00 0.00 56.01 54.59 1ywu n LEU 118 Cb 0.23 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1ywu n LEU 118 CO 0.18 0.43 0.89 -0.76 -1.33 0.00 0.00 177.39 176.80 1ywu s LEU 119 N -1.48 5.08 0.31 2.23 1.02 -0.55 -4.80 118.68 120.49 1ywu s LEU 119 Ca 0.20 -1.90 0.08 0.00 0.02 0.00 0.00 54.13 52.53 1ywu s LEU 119 Cb 0.15 -2.39 -0.03 0.00 0.02 0.00 0.00 46.19 43.94 1ywu s LEU 119 CO 0.22 -1.09 0.21 -0.69 0.02 0.00 0.00 176.35 175.02 1ywu s VAL 120 N 2.73 3.69 0.96 -1.59 1.01 -1.26 -4.91 120.40 121.02 1ywu s VAL 120 Ca 0.29 -1.49 -0.14 0.00 0.00 0.00 0.00 61.98 60.64 1ywu s VAL 120 Cb -0.08 -3.17 0.17 0.00 0.00 0.00 0.00 36.38 33.29 1ywu s VAL 120 CO -0.06 -0.24 1.15 -0.94 0.00 0.00 0.00 175.10 175.01 1ywu s SER 121 N -3.89 3.10 0.00 3.32 1.04 -1.26 -4.77 113.70 111.23 1ywu s SER 121 Ca 0.37 0.86 0.06 0.00 0.48 0.00 0.00 55.95 57.72 1ywu s SER 121 Cb -0.06 -1.34 0.34 0.00 0.10 0.00 0.00 66.02 65.06 1ywu s SER 121 CO 0.25 -2.80 0.77 0.00 0.98 0.00 0.00 173.24 172.43 1ywu n ALA 122 N -3.91 1.96 1.44 5.32 0.00 -1.26 -1.81 120.51 122.25 1ywu n ALA 122 Ca 0.08 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.62 1ywu n ALA 122 Cb 0.59 -1.09 0.48 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.71 0.00 -3.66 0.00 1.44 -1.26 -4.91 115.22 106.12 1ywu n HIS 123 Ca 0.04 -0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.75 1ywu n HIS 123 Cb 0.02 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.13 1ywu n HIS 123 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1ywu n ASP 124 N 0.31 1.09 -0.86 4.39 8.00 -0.75 -5.24 116.55 123.48 1ywu n ASP 124 Ca 0.18 -0.66 0.12 0.00 0.71 0.00 0.00 54.79 55.15 1ywu n ASP 124 Cb 0.38 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.67 1ywu n ASP 124 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14