#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 2.53 -0.89 6.12 3.41 -1.26 -4.77 113.62 118.75 1ywu n SER 2 Ca 0.00 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 1ywu n SER 2 Cb 0.00 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 1ywu n SER 2 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1ywu n ASP 3 N 0.36 0.00 0.00 4.04 2.03 -1.26 -5.12 116.55 116.61 1ywu n ASP 3 Ca 0.01 -0.89 -0.02 0.00 0.52 0.00 0.00 54.79 54.40 1ywu n ASP 3 Cb 0.45 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.85 1ywu n ASP 3 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ywu n GLN 4 N 0.00 0.10 -3.54 -0.67 6.02 -1.26 -5.10 117.38 112.92 1ywu n GLN 4 Ca 0.00 0.04 -0.01 0.00 -0.01 0.00 0.00 57.00 57.02 1ywu n GLN 4 Cb 0.00 -0.51 -0.05 0.00 1.02 0.00 0.00 30.24 30.69 1ywu n GLN 4 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1ywu s HIS 5 N -1.69 -0.67 0.13 1.08 -3.43 -1.26 -5.04 115.29 104.40 1ywu s HIS 5 Ca -0.05 1.25 -0.04 0.00 -0.80 0.00 0.00 55.06 55.42 1ywu s HIS 5 Cb 0.01 0.40 -0.10 0.00 -1.43 0.00 0.00 32.58 31.46 1ywu s HIS 5 CO 0.08 -0.33 1.30 0.38 -2.00 0.00 0.00 174.74 174.17 1ywu h ASP 6 N 6.79 0.52 -3.24 7.38 2.03 -2.05 -3.43 116.42 124.42 1ywu h ASP 6 Ca -0.22 -0.42 -0.56 0.00 -0.73 0.00 0.00 57.03 55.09 1ywu h ASP 6 Cb 1.16 -0.16 -0.05 0.00 -0.83 0.00 0.00 39.33 39.45 1ywu h ASP 6 CO 0.14 1.22 0.57 -0.70 -1.03 0.00 0.00 179.24 179.44 1ywu s GLU 7 N -3.25 4.38 0.00 4.15 2.56 -1.26 -4.89 118.70 120.38 1ywu s GLU 7 Ca -0.06 1.32 0.19 0.00 0.00 0.00 0.00 54.97 56.42 1ywu s GLU 7 Cb 0.09 -3.56 0.16 0.00 2.00 0.00 0.00 34.13 32.81 1ywu s GLU 7 CO 0.87 -0.36 1.10 0.54 -0.56 0.00 0.00 175.26 176.85 1ywu n ARG 8 N 5.22 1.62 -1.10 4.30 1.74 -1.26 -5.06 116.66 122.12 1ywu n ARG 8 Ca 0.08 -1.63 0.00 0.00 -0.77 0.00 0.00 57.85 55.53 1ywu n ARG 8 Cb 0.48 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 1ywu n ARG 8 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1ywu n ARG 9 N 1.06 -1.29 -3.71 5.56 0.63 -1.26 -5.09 116.66 112.56 1ywu n ARG 9 Ca 0.11 1.30 -0.15 0.00 -0.92 0.00 0.00 57.85 58.19 1ywu n ARG 9 Cb 0.47 -1.27 -0.15 0.00 0.45 0.00 0.00 32.46 31.96 1ywu n ARG 9 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1ywu s ARG 10 N -2.05 0.06 0.98 -0.14 3.52 -1.26 -5.16 118.95 114.89 1ywu s ARG 10 Ca 0.00 0.45 -0.16 0.00 -0.13 0.00 0.00 55.73 55.89 1ywu s ARG 10 Cb 0.00 -0.23 0.20 0.00 -1.56 0.00 0.00 34.95 33.36 1ywu s ARG 10 CO 0.00 -0.23 1.27 -0.59 -0.81 0.00 0.00 175.30 174.94 1ywu s PHE 11 N 1.68 1.65 -0.06 5.12 -0.71 -1.26 -5.08 117.98 119.32 1ywu s PHE 11 Ca -0.04 0.42 0.05 0.00 -1.04 0.00 0.00 56.93 56.32 1ywu s PHE 11 Cb -0.12 -3.92 -0.01 0.00 -1.21 0.00 0.00 43.02 37.76 1ywu s PHE 11 CO -0.06 -2.71 -0.21 -1.01 -1.34 0.00 0.00 175.22 169.89 1ywu s HIS 12 N -3.70 2.11 -0.06 3.49 3.76 -1.26 -5.03 115.29 114.60 1ywu s HIS 12 Ca 0.72 -0.66 -0.07 0.00 -0.15 0.00 0.00 55.06 54.90 1ywu s HIS 12 Cb -0.06 -1.41 -0.04 0.00 1.11 0.00 0.00 32.58 32.19 1ywu s HIS 12 CO 0.53 -0.22 0.32 0.00 -0.85 0.00 0.00 174.74 174.51 1ywu h ARG 13 N 6.26 -0.25 -6.78 1.40 2.47 -1.93 -3.42 114.38 112.13 1ywu h ARG 13 Ca -0.31 0.02 -0.44 0.00 -1.26 0.00 0.00 59.98 58.00 1ywu h ARG 13 Cb 1.18 0.06 0.04 0.00 -1.65 0.00 0.00 29.97 29.60 1ywu h ARG 13 CO 0.47 -0.16 -0.06 0.42 0.56 0.00 0.00 179.97 181.20 1ywu s ILE 14 N -2.36 2.74 0.00 2.04 -1.09 -1.26 -4.39 121.20 116.88 1ywu s ILE 14 Ca -0.04 -0.70 0.00 0.00 -2.23 0.00 0.00 60.65 57.68 1ywu s ILE 14 Cb 0.00 -3.01 0.00 0.00 -1.58 0.00 0.00 42.46 37.87 1ywu s ILE 14 CO 0.11 -0.01 0.00 0.00 -1.23 0.00 0.00 174.94 173.81 1ywu n ALA 15 N -2.28 0.00 -1.22 9.38 0.00 -1.18 -4.57 120.51 120.65 1ywu n ALA 15 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.44 1ywu n ALA 15 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.01 1ywu n ALA 15 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ywu n PHE 16 N 0.00 0.00 -2.22 0.00 3.72 -1.26 -0.80 117.46 116.89 1ywu n PHE 16 Ca 0.00 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.22 1ywu n PHE 16 Cb 0.00 -2.44 -0.02 0.00 -0.94 0.00 0.00 39.48 36.08 1ywu n PHE 16 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1ywu n ASP 17 N -1.05 -5.20 -4.56 4.37 8.00 -1.26 -4.98 116.55 111.88 1ywu n ASP 17 Ca -0.07 0.13 -0.27 0.00 0.71 0.00 0.00 54.79 55.29 1ywu n ASP 17 Cb 0.54 -4.41 0.12 0.00 -0.02 0.00 0.00 41.12 37.36 1ywu n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ywu s ALA 18 N -2.83 2.99 -0.19 2.24 0.00 0.02 -5.06 121.76 118.93 1ywu s ALA 18 Ca 0.00 -1.28 -0.14 0.00 0.00 0.00 0.00 51.96 50.54 1ywu s ALA 18 Cb 0.00 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 1ywu s ALA 18 CO 0.00 -1.77 0.32 -0.51 0.00 0.00 0.00 175.76 173.80 1ywu s ASP 19 N -4.73 6.40 -0.05 0.00 1.01 -1.22 -4.86 116.67 113.23 1ywu s ASP 19 Ca 0.67 0.47 0.03 0.00 0.71 0.00 0.00 52.55 54.44 1ywu s ASP 19 Cb -0.06 -2.20 0.00 0.00 1.01 0.00 0.00 42.92 41.67 1ywu s ASP 19 CO 0.48 0.02 -0.14 -0.94 0.21 0.00 0.00 175.17 174.80 1ywu s SER 20 N 0.78 1.88 0.13 0.27 1.04 -1.26 0.09 113.70 116.64 1ywu s SER 20 Ca 0.17 -0.31 0.10 0.00 0.48 0.00 0.00 55.95 56.38 1ywu s SER 20 Cb -0.14 -0.66 -0.04 0.00 0.10 0.00 0.00 66.02 65.29 1ywu s SER 20 CO 0.06 0.09 -0.24 -1.61 0.98 0.00 0.00 173.24 172.53 1ywu s GLU 21 N 0.30 1.29 -0.13 4.02 2.02 0.33 -0.41 118.70 126.12 1ywu s GLU 21 Ca -0.08 -1.30 -0.00 0.00 0.02 0.00 0.00 54.97 53.61 1ywu s GLU 21 Cb -0.13 -1.65 -0.01 0.00 0.10 0.00 0.00 34.13 32.44 1ywu s GLU 21 CO 0.03 0.38 -0.13 0.42 0.02 0.00 0.00 175.26 175.97 1ywu s ILE 22 N -1.25 3.03 0.15 -1.63 1.01 0.55 -0.33 121.20 122.74 1ywu s ILE 22 Ca 0.12 -0.67 0.08 0.00 0.00 0.00 0.00 60.65 60.18 1ywu s ILE 22 Cb -0.09 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 1ywu s ILE 22 CO 0.06 0.52 -0.08 -0.76 0.00 0.00 0.00 174.94 174.68 1ywu s LEU 23 N 0.38 3.05 -0.35 2.97 1.43 -0.38 -0.61 118.68 125.17 1ywu s LEU 23 Ca -0.11 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 1ywu s LEU 23 Cb -0.16 -1.77 0.15 0.00 0.03 0.00 0.00 46.19 44.44 1ywu s LEU 23 CO 0.05 0.13 0.34 -1.58 0.23 0.00 0.00 176.35 175.52 1ywu s GLN 24 N -2.64 0.56 2.79 1.70 2.00 0.03 -2.24 119.66 121.86 1ywu s GLN 24 Ca 0.24 -0.76 0.00 0.00 -2.00 0.00 0.00 55.36 52.84 1ywu s GLN 24 Cb -0.10 -0.77 0.00 0.00 0.80 0.00 0.00 33.01 32.94 1ywu s GLN 24 CO 0.15 -1.16 0.00 0.41 -0.50 0.00 0.00 175.29 174.19 1ywu n GLY 25 N 4.44 1.22 0.00 2.59 0.00 -1.26 -0.72 105.19 111.46 1ywu n GLY 25 Ca 0.08 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.08 -2.54 1.61 -0.00 -1.26 -5.01 120.64 113.36 1ywu n GLU 26 Ca 0.00 -0.71 -0.40 0.00 -0.00 0.00 0.00 57.16 56.05 1ywu n GLU 26 Cb 0.00 -0.99 -0.05 0.00 -0.00 0.00 0.00 31.44 30.41 1ywu n GLU 26 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1ywu s ARG 27 N -0.22 4.69 -0.13 3.44 3.00 0.10 -5.05 118.95 124.78 1ywu s ARG 27 Ca 0.00 1.73 -0.04 0.00 0.00 0.00 0.00 55.73 57.42 1ywu s ARG 27 Cb 0.00 -3.20 0.06 0.00 0.00 0.00 0.00 34.95 31.81 1ywu s ARG 27 CO 0.00 0.28 0.24 -0.98 0.00 0.00 0.00 175.30 174.84 1ywu s ARG 28 N -1.40 0.13 -0.25 3.54 1.70 -1.26 -0.79 118.95 120.62 1ywu s ARG 28 Ca 0.44 0.68 -0.02 0.00 -0.47 0.00 0.00 55.73 56.36 1ywu s ARG 28 Cb -0.31 -0.16 0.02 0.00 -0.57 0.00 0.00 34.95 33.94 1ywu s ARG 28 CO 0.39 -0.32 -0.06 -1.58 -1.08 0.00 0.00 175.30 172.65 1ywu s TRP 29 N 2.39 3.06 -0.54 5.89 0.51 0.22 -4.96 118.94 125.53 1ywu s TRP 29 Ca 0.02 -1.53 -0.28 0.00 -2.12 0.00 0.00 56.10 52.20 1ywu s TRP 29 Cb -0.12 -2.06 0.00 0.00 -0.81 0.00 0.00 33.47 30.48 1ywu s TRP 29 CO -0.08 -0.72 1.55 -2.00 -0.51 0.00 0.00 176.95 175.19 1ywu s GLU 30 N 1.33 3.17 0.39 4.98 2.12 -1.26 -0.33 118.70 129.11 1ywu s GLU 30 Ca 0.00 0.62 0.08 0.00 0.36 0.00 0.00 54.97 56.03 1ywu s GLU 30 Cb -0.17 -4.19 -0.06 0.00 0.26 0.00 0.00 34.13 29.98 1ywu s GLU 30 CO -0.04 -2.08 0.11 0.54 -0.54 0.00 0.00 175.26 173.25 1ywu s VAL 31 N 6.76 2.35 -0.42 3.70 0.11 0.45 -4.97 120.40 128.38 1ywu s VAL 31 Ca 0.59 -1.81 -0.21 0.00 -2.93 0.00 0.00 61.98 57.61 1ywu s VAL 31 Cb -0.13 -2.95 0.02 0.00 -1.53 0.00 0.00 36.38 31.79 1ywu s VAL 31 CO 0.25 -0.05 0.69 -0.22 -3.33 0.00 0.00 175.10 172.44 1ywu s LEU 32 N -3.83 4.34 0.45 2.54 2.96 -1.23 -4.14 118.68 119.77 1ywu s LEU 32 Ca 0.38 -0.10 -0.22 0.00 -0.22 0.00 0.00 54.13 53.97 1ywu s LEU 32 Cb 0.04 -2.83 -0.09 0.00 0.50 0.00 0.00 46.19 43.81 1ywu s LEU 32 CO 0.21 -0.77 1.06 -0.22 -1.32 0.00 0.00 176.35 175.31 1ywu s LEU 33 N 2.94 3.98 0.00 -0.68 2.96 -1.26 -0.98 118.68 125.64 1ywu s LEU 33 Ca 0.26 2.01 0.00 0.00 -0.22 0.00 0.00 54.13 56.18 1ywu s LEU 33 Cb -0.14 -4.38 0.00 0.00 0.50 0.00 0.00 46.19 42.18 1ywu s LEU 33 CO 0.19 -0.68 0.00 1.41 -1.32 0.00 0.00 176.35 175.95 1ywu n HIS 34 N -0.55 0.00 -4.27 5.38 8.25 -1.05 -4.80 115.22 118.18 1ywu n HIS 34 Ca 0.07 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.39 1ywu n HIS 34 Cb 0.51 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.52 1ywu n HIS 34 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ywu s ASP 35 N 1.00 1.32 0.02 0.41 1.01 -0.39 -3.08 116.67 116.97 1ywu s ASP 35 Ca 0.00 -1.21 -0.28 0.00 0.71 0.00 0.00 52.55 51.77 1ywu s ASP 35 Cb 0.00 0.10 0.07 0.00 1.01 0.00 0.00 42.92 44.11 1ywu s ASP 35 CO 0.00 -0.58 0.66 0.54 0.21 0.00 0.00 175.17 176.00 1ywu s VAL 36 N -3.63 0.00 0.31 -1.27 0.11 -1.26 -0.38 120.40 114.29 1ywu s VAL 36 Ca 0.27 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.38 1ywu s VAL 36 Cb 0.06 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.89 1ywu s VAL 36 CO 0.06 0.00 0.24 -1.54 -3.33 0.00 0.00 175.10 170.53 1ywu n SER 37 N 0.43 -0.39 -0.20 3.54 3.41 0.97 -4.20 113.62 117.17 1ywu n SER 37 Ca -0.18 -3.01 0.10 0.00 -0.26 0.00 0.00 58.87 55.53 1ywu n SER 37 Cb 0.60 1.45 0.51 0.00 -0.26 0.00 0.00 64.21 66.51 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 0.62 -0.00 1.04 4.77 -0.78 -3.27 117.00 119.38 1ywu n LEU 38 Ca 0.05 -0.25 0.01 0.00 -0.03 0.00 0.00 56.01 55.79 1ywu n LEU 38 Cb 0.55 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1ywu n LEU 38 CO 0.29 0.13 -0.02 1.41 -1.33 0.00 0.00 177.39 177.86 1ywu n HIS 39 N -0.39 0.00 0.00 -1.77 8.25 -1.26 -4.89 115.22 115.16 1ywu n HIS 39 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1ywu n HIS 39 Cb 0.17 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.27 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 1.11 2.28 3.31 -1.41 0.00 -1.20 -3.88 105.19 105.39 1ywu n GLY 40 Ca 0.01 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 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 1.93 -0.19 -0.61 2.07 -0.25 -0.02 121.20 122.13 1ywu s ILE 41 Ca 0.00 -1.35 0.01 0.00 -1.41 0.00 0.00 60.65 57.91 1ywu s ILE 41 Cb 0.00 -1.67 0.03 0.00 0.13 0.00 0.00 42.46 40.95 1ywu s ILE 41 CO 0.00 0.26 -0.15 -0.22 -1.91 0.00 0.00 174.94 172.91 1ywu s LEU 42 N -1.31 2.32 0.42 8.50 2.96 0.49 -0.41 118.68 131.65 1ywu s LEU 42 Ca 0.10 -0.80 0.06 0.00 -0.22 0.00 0.00 54.13 53.27 1ywu s LEU 42 Cb -0.09 -1.39 -0.07 0.00 0.50 0.00 0.00 46.19 45.13 1ywu s LEU 42 CO 0.02 -0.07 0.01 0.68 -1.32 0.00 0.00 176.35 175.67 1ywu s VAL 43 N 1.31 1.87 -0.22 1.68 -7.23 -0.65 -1.26 120.40 115.91 1ywu s VAL 43 Ca 0.01 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 1ywu s VAL 43 Cb -0.15 -2.89 0.05 0.00 0.56 0.00 0.00 36.38 33.95 1ywu s VAL 43 CO -0.10 0.00 -0.12 -0.83 -0.31 0.00 0.00 175.10 173.74 1ywu s GLY 44 N -3.73 1.44 0.04 2.32 0.00 -0.15 -1.11 107.32 106.14 1ywu s GLY 44 Ca 0.31 -1.43 0.06 0.00 0.00 0.00 0.00 44.72 43.65 1ywu s GLY 44 CO 0.16 0.60 -0.12 1.20 0.00 0.00 0.00 173.10 174.95 1ywu s GLN 45 N 1.26 2.28 0.04 2.90 -0.21 -1.15 -3.58 119.66 121.20 1ywu s GLN 45 Ca -0.03 -0.89 -0.32 0.00 0.02 0.00 0.00 55.36 54.13 1ywu s GLN 45 Cb -0.17 -2.34 -0.18 0.00 1.00 0.00 0.00 33.01 31.31 1ywu s GLN 45 CO -0.08 0.56 1.39 -1.00 -2.12 0.00 0.00 175.29 174.04 1ywu h PRO 46 N 4.31 -1.07 0.00 2.91 0.13 -1.99 -3.46 132.00 132.84 1ywu h PRO 46 Ca -0.48 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1ywu h PRO 46 Cb 1.16 0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.54 1ywu h PRO 46 CO 0.51 -0.70 0.00 0.94 -0.23 0.00 0.00 178.00 178.52 1ywu n GLN 47 N -5.53 0.00 -1.71 0.86 7.27 -1.26 -5.05 117.38 111.97 1ywu n GLN 47 Ca -0.14 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.50 1ywu n GLN 47 Cb 0.44 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.06 1ywu n GLN 47 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1ywu n ASP 48 N 0.00 3.76 -3.17 1.69 -0.08 -1.26 -4.98 116.55 112.51 1ywu n ASP 48 Ca 0.00 1.08 -0.18 0.00 -1.51 0.00 0.00 54.79 54.17 1ywu n ASP 48 Cb 0.00 -1.54 -0.07 0.00 2.34 0.00 0.00 41.12 41.85 1ywu n ASP 48 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19 1ywu n TRP 49 N 3.63 -0.89 -0.06 -0.67 -0.00 -1.26 -5.10 117.44 113.09 1ywu n TRP 49 Ca 0.15 -2.70 -0.03 0.00 -0.00 0.00 0.00 57.50 54.93 1ywu n TRP 49 Cb 0.34 0.33 -0.01 0.00 -0.00 0.00 0.00 31.31 31.97 1ywu n TRP 49 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 177.69 176.72 1ywu h ASN 50 N 2.01 0.00 0.00 5.87 -1.24 -2.01 -3.50 115.58 116.70 1ywu h ASN 50 Ca -0.24 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.77 1ywu h ASN 50 Cb 1.18 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.23 1ywu h ASN 50 CO 0.34 0.64 0.00 0.61 -1.29 0.00 0.00 177.43 177.73 1ywu n GLY 51 N 1.68 -1.86 2.88 1.57 0.00 -1.26 -5.16 105.19 103.04 1ywu n GLY 51 Ca -0.04 0.55 -0.15 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.37 0.38 0.58 1.61 2.15 -1.26 -5.04 116.67 113.72 1ywu s ASP 52 Ca 0.00 -0.04 0.33 0.00 0.43 0.00 0.00 52.55 53.27 1ywu s ASP 52 Cb 0.00 -0.12 1.80 0.00 -0.30 0.00 0.00 42.92 44.30 1ywu s ASP 52 CO 0.00 -0.02 2.00 -0.65 -0.17 0.00 0.00 175.17 176.33 1ywu h PRO 53 N 6.57 0.00 -0.17 4.34 0.11 -1.98 -2.54 132.00 138.33 1ywu h PRO 53 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1ywu h PRO 53 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ywu h PRO 53 CO 0.49 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.32 1ywu n GLN 54 N -2.78 1.42 -3.60 1.05 3.00 -1.26 -2.85 117.38 112.36 1ywu n GLN 54 Ca -0.02 -0.65 -0.37 0.00 -0.01 0.00 0.00 57.00 55.95 1ywu n GLN 54 Cb 0.19 -1.18 -0.06 0.00 0.00 0.00 0.00 30.24 29.19 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 -1.78 3.77 -0.50 -1.09 3.00 -0.96 -5.01 118.95 116.38 1ywu s ARG 55 Ca 0.16 0.23 -0.27 0.00 0.00 0.00 0.00 55.73 55.84 1ywu s ARG 55 Cb 0.08 -3.16 -0.01 0.00 0.00 0.00 0.00 34.95 31.86 1ywu s ARG 55 CO 0.11 0.68 1.73 -1.25 0.00 0.00 0.00 175.30 176.58 1ywu s PRO 56 N -1.30 3.02 0.15 3.54 0.04 -1.26 -4.34 135.00 134.85 1ywu s PRO 56 Ca 0.24 0.85 -0.04 0.00 0.04 0.00 0.00 61.00 62.10 1ywu s PRO 56 Cb -0.15 -4.26 -0.05 0.00 0.04 0.00 0.00 34.50 30.08 1ywu s PRO 56 CO 0.13 -2.25 0.37 -0.06 0.04 0.00 0.00 177.00 175.23 1ywu s PHE 57 N 7.65 3.48 -0.07 0.56 2.99 -0.01 -4.79 117.98 127.79 1ywu s PHE 57 Ca 0.68 0.52 0.03 0.00 0.00 0.00 0.00 56.93 58.16 1ywu s PHE 57 Cb -0.15 -1.98 -0.02 0.00 0.00 0.00 0.00 43.02 40.87 1ywu s PHE 57 CO 0.26 0.43 -0.17 -1.21 -0.00 0.00 0.00 175.22 174.54 1ywu s GLU 58 N -2.74 2.75 -0.38 0.44 2.02 -0.95 -0.42 118.70 119.42 1ywu s GLU 58 Ca 0.41 -0.74 -0.14 0.00 0.02 0.00 0.00 54.97 54.51 1ywu s GLU 58 Cb -0.12 -2.39 0.00 0.00 0.10 0.00 0.00 34.13 31.72 1ywu s GLU 58 CO 0.25 0.45 0.29 0.00 0.02 0.00 0.00 175.26 176.28 1ywu s ALA 59 N -0.30 3.49 -0.41 5.21 0.00 -0.40 -1.25 121.76 128.09 1ywu s ALA 59 Ca 0.02 -1.53 -0.09 0.00 0.00 0.00 0.00 51.96 50.36 1ywu s ALA 59 Cb -0.13 -2.81 0.07 0.00 0.00 0.00 0.00 23.12 20.26 1ywu s ALA 59 CO 0.03 -1.25 0.25 0.50 0.00 0.00 0.00 175.76 175.29 1ywu s ARG 60 N 1.76 2.63 -0.26 0.00 3.52 0.55 -1.92 118.95 125.22 1ywu s ARG 60 Ca 0.07 -1.42 -0.09 0.00 -0.13 0.00 0.00 55.73 54.15 1ywu s ARG 60 Cb -0.18 -3.78 -0.04 0.00 -1.56 0.00 0.00 34.95 29.40 1ywu s ARG 60 CO 0.11 -0.93 0.12 -0.51 -0.81 0.00 0.00 175.30 173.28 1ywu s LEU 61 N 1.44 3.71 -0.52 -0.88 1.43 0.44 -0.51 118.68 123.78 1ywu s LEU 61 Ca 0.03 -0.14 -0.19 0.00 -1.03 0.00 0.00 54.13 52.80 1ywu s LEU 61 Cb -0.23 -2.01 0.06 0.00 0.03 0.00 0.00 46.19 44.05 1ywu s LEU 61 CO 0.02 -0.05 0.64 -0.31 0.23 0.00 0.00 176.35 176.89 1ywu s TYR 62 N 1.68 3.03 -0.56 0.29 1.51 0.11 -0.99 117.35 122.43 1ywu s TYR 62 Ca 0.07 -0.57 0.22 0.00 -1.01 0.00 0.00 57.07 55.77 1ywu s TYR 62 Cb -0.16 -3.61 -0.18 0.00 -0.11 0.00 0.00 41.96 37.91 1ywu s TYR 62 CO 0.07 -1.07 0.80 -0.11 -1.11 0.00 0.00 175.55 174.13 1ywu n LEU 63 N 6.23 0.55 0.00 -1.29 7.94 -0.71 -3.44 117.00 126.28 1ywu n LEU 63 Ca -0.07 -0.18 0.00 0.00 -1.11 0.00 0.00 56.01 54.65 1ywu n LEU 63 Cb 0.45 -0.03 0.00 0.00 0.53 0.00 0.00 43.42 44.37 1ywu n LEU 63 CO 0.55 0.10 0.00 0.61 -1.11 0.00 0.00 177.39 177.54 1ywu n GLY 64 N 1.38 1.80 0.08 -3.96 0.00 -0.69 -4.89 105.19 98.91 1ywu n GLY 64 Ca 0.01 -0.90 -0.07 0.00 0.00 0.00 0.00 46.02 45.06 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 0.00 -0.13 0.99 3.38 -1.99 -3.35 115.31 114.21 1ywu h LEU 65 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ywu h LEU 65 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ywu h LEU 65 CO 0.00 0.93 -0.30 -0.90 0.09 0.00 0.00 178.44 178.26 1ywu n ASP 66 N -3.14 0.46 -4.41 -0.43 5.75 -1.26 -4.82 116.55 108.70 1ywu n ASP 66 Ca -0.09 -0.73 -0.45 0.00 -0.01 0.00 0.00 54.79 53.51 1ywu n ASP 66 Cb 0.98 0.90 -0.02 0.00 -1.03 0.00 0.00 41.12 41.95 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 -1.56 5.11 -0.22 2.12 1.01 -1.26 -5.00 120.40 120.61 1ywu s VAL 67 Ca 0.03 -2.10 -0.03 0.00 0.00 0.00 0.00 61.98 59.88 1ywu s VAL 67 Cb 0.05 -4.70 -0.01 0.00 0.00 0.00 0.00 36.38 31.73 1ywu s VAL 67 CO 0.27 -1.36 -0.06 -0.22 0.00 0.00 0.00 175.10 173.73 1ywu s LEU 68 N 1.55 2.84 -0.46 3.92 2.96 -1.26 -1.70 118.68 126.52 1ywu s LEU 68 Ca 0.30 -0.41 -0.16 0.00 -0.22 0.00 0.00 54.13 53.64 1ywu s LEU 68 Cb -0.06 -1.72 0.06 0.00 0.50 0.00 0.00 46.19 44.96 1ywu s LEU 68 CO -0.08 -0.01 0.41 -0.63 -1.32 0.00 0.00 176.35 174.72 1ywu s ILE 69 N 1.44 5.18 0.09 6.68 1.01 -0.16 -4.84 121.20 130.59 1ywu s ILE 69 Ca 0.05 -0.83 0.09 0.00 0.00 0.00 0.00 60.65 59.96 1ywu s ILE 69 Cb -0.14 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1ywu s ILE 69 CO -0.04 -0.54 -0.21 0.00 0.00 0.00 0.00 174.94 174.15 1ywu s ARG 70 N 1.83 1.79 -0.13 2.79 1.04 -1.26 -0.42 118.95 124.59 1ywu s ARG 70 Ca 0.07 -1.15 -0.09 0.00 -1.04 0.00 0.00 55.73 53.52 1ywu s ARG 70 Cb -0.22 -2.07 0.04 0.00 -2.04 0.00 0.00 34.95 30.67 1ywu s ARG 70 CO 0.09 0.50 0.33 0.00 -0.04 0.00 0.00 175.30 176.17 1ywu s MET 71 N -1.77 0.34 -0.29 3.89 0.23 -0.81 -4.23 119.30 116.66 1ywu s MET 71 Ca 0.15 0.57 -0.20 0.00 -1.03 0.00 0.00 55.69 55.18 1ywu s MET 71 Cb -0.10 0.05 -0.01 0.00 -1.53 0.00 0.00 34.83 33.23 1ywu s MET 71 CO 0.06 -0.11 0.61 -2.00 -2.03 0.00 0.00 175.02 171.56 1ywu s GLU 72 N 0.81 3.95 0.15 3.16 2.12 0.48 -1.28 118.70 128.09 1ywu s GLU 72 Ca -0.05 0.33 0.06 0.00 0.36 0.00 0.00 54.97 55.67 1ywu s GLU 72 Cb -0.06 -3.71 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 1ywu s GLU 72 CO -0.06 -0.51 -0.14 0.96 -0.54 0.00 0.00 175.26 174.97 1ywu s ILE 73 N 2.54 1.48 -0.22 -3.70 -4.36 0.44 -1.56 121.20 115.82 1ywu s ILE 73 Ca 0.25 -1.93 0.01 0.00 -0.26 0.00 0.00 60.65 58.72 1ywu s ILE 73 Cb -0.15 -1.76 0.04 0.00 1.25 0.00 0.00 42.46 41.84 1ywu s ILE 73 CO 0.11 -0.50 -0.15 -0.94 0.24 0.00 0.00 174.94 173.69 1ywu s SER 74 N -2.82 3.74 -0.00 4.36 1.04 0.40 -0.83 113.70 119.60 1ywu s SER 74 Ca 0.15 -0.95 -0.32 0.00 0.48 0.00 0.00 55.95 55.31 1ywu s SER 74 Cb -0.03 -1.53 -0.10 0.00 0.10 0.00 0.00 66.02 64.47 1ywu s SER 74 CO 0.04 -0.08 1.94 -0.11 0.98 0.00 0.00 173.24 176.01 1ywu n LEU 75 N 4.56 3.91 -0.10 2.42 7.94 -1.13 -0.34 117.00 134.25 1ywu n LEU 75 Ca -0.18 0.93 -0.14 0.00 -1.11 0.00 0.00 56.01 55.51 1ywu n LEU 75 Cb 0.47 -1.47 -0.05 0.00 0.53 0.00 0.00 43.42 42.90 1ywu n LEU 75 CO 0.24 0.11 -0.79 0.00 -1.11 0.00 0.00 177.39 175.85 1ywu n ALA 76 N 7.13 0.87 -3.00 1.96 0.00 -0.52 -4.48 120.51 122.47 1ywu n ALA 76 Ca 0.21 -0.80 -0.09 0.00 0.00 0.00 0.00 53.44 52.76 1ywu n ALA 76 Cb 0.37 0.02 -0.11 0.00 0.00 0.00 0.00 19.45 19.72 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 -2.68 0.21 -0.14 0.00 1.48 -1.03 -5.03 118.94 111.75 1ywu s TRP 77 Ca -0.29 -0.44 -0.02 0.00 -1.06 0.00 0.00 56.10 54.29 1ywu s TRP 77 Cb 0.06 -0.16 0.04 0.00 -1.16 0.00 0.00 33.47 32.26 1ywu s TRP 77 CO 0.42 -0.21 0.01 0.00 -4.06 0.00 0.00 176.95 173.11 1ywu s ALA 78 N -1.41 0.95 -0.12 2.67 0.00 -1.26 -0.43 121.76 122.16 1ywu s ALA 78 Ca -0.15 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1ywu s ALA 78 Cb -0.09 -1.00 0.02 0.00 0.00 0.00 0.00 23.12 22.05 1ywu s ALA 78 CO -0.00 -0.84 -0.11 0.50 0.00 0.00 0.00 175.76 175.31 1ywu s ARG 79 N 1.87 1.87 1.40 0.00 3.52 -0.07 -4.98 118.95 122.55 1ywu s ARG 79 Ca 0.02 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.22 1ywu s ARG 79 Cb -0.15 -1.79 0.00 0.00 -1.56 0.00 0.00 34.95 31.45 1ywu s ARG 79 CO -0.07 -0.23 0.00 -3.47 -0.81 0.00 0.00 175.30 170.72 1ywu n ASP 80 N 4.77 0.00 0.00 -2.12 -0.08 -1.26 -1.05 116.55 116.81 1ywu n ASP 80 Ca -0.15 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.13 1ywu n ASP 80 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 1ywu n ASP 80 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ywu n GLY 81 N 0.00 -0.08 3.46 0.27 0.00 -1.26 -5.05 105.19 102.52 1ywu n GLY 81 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.03 3.19 -0.12 0.99 1.43 -0.22 -2.95 118.68 120.97 1ywu s LEU 82 Ca 0.00 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1ywu s LEU 82 Cb 0.00 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1ywu s LEU 82 CO 0.00 0.12 -0.18 -0.76 0.23 0.00 0.00 176.35 175.75 1ywu s LEU 83 N 0.68 2.38 -0.24 1.79 1.02 -0.27 -0.90 118.68 123.15 1ywu s LEU 83 Ca -0.02 -0.46 -0.08 0.00 0.02 0.00 0.00 54.13 53.59 1ywu s LEU 83 Cb -0.14 -1.51 -0.03 0.00 0.02 0.00 0.00 46.19 44.52 1ywu s LEU 83 CO 0.02 0.15 0.09 -0.83 0.02 0.00 0.00 176.35 175.80 1ywu s GLY 84 N 0.43 1.81 -0.09 -3.19 0.00 0.43 -1.64 107.32 105.08 1ywu s GLY 84 Ca -0.13 -1.07 -0.02 0.00 0.00 0.00 0.00 44.72 43.50 1ywu s GLY 84 CO 0.06 0.48 -0.00 -1.36 0.00 0.00 0.00 173.10 172.28 1ywu s PHE 85 N 1.45 3.14 0.02 1.90 0.40 0.45 -1.44 117.98 123.92 1ywu s PHE 85 Ca 0.06 0.16 -0.26 0.00 -0.60 0.00 0.00 56.93 56.28 1ywu s PHE 85 Cb -0.15 -1.80 -0.05 0.00 0.51 0.00 0.00 43.02 41.54 1ywu s PHE 85 CO 0.05 0.43 0.82 -2.00 0.70 0.00 0.00 175.22 175.22 1ywu s GLU 86 N -0.79 4.53 -0.44 0.44 2.12 0.53 -1.09 118.70 124.00 1ywu s GLU 86 Ca 0.12 1.15 -0.27 0.00 0.36 0.00 0.00 54.97 56.33 1ywu s GLU 86 Cb -0.11 -3.40 0.03 0.00 0.26 0.00 0.00 34.13 30.90 1ywu s GLU 86 CO 0.02 0.17 1.00 0.00 -0.54 0.00 0.00 175.26 175.91 1ywu n GLN 88 N 7.31 0.17 -3.94 0.00 6.02 -0.60 -4.94 117.38 121.41 1ywu n GLN 88 Ca 0.09 0.33 -0.29 0.00 -0.01 0.00 0.00 57.00 57.12 1ywu n GLN 88 Cb 0.49 -1.09 -0.16 0.00 1.02 0.00 0.00 30.24 30.50 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 -1.49 2.01 -0.17 1.08 5.04 -0.69 -5.00 115.29 116.06 1ywu s HIS 89 Ca -0.06 -1.29 0.00 0.00 -1.54 0.00 0.00 55.06 52.17 1ywu s HIS 89 Cb 0.01 -1.46 0.01 0.00 0.04 0.00 0.00 32.58 31.17 1ywu s HIS 89 CO 0.09 -0.67 -0.16 0.42 -2.34 0.00 0.00 174.74 172.08 1ywu s ILE 90 N 1.53 2.46 0.70 0.89 1.09 -1.26 -0.39 121.20 126.22 1ywu s ILE 90 Ca 0.00 -0.82 -0.13 0.00 -1.10 0.00 0.00 60.65 58.59 1ywu s ILE 90 Cb -0.15 -2.04 0.02 0.00 -1.06 0.00 0.00 42.46 39.23 1ywu s ILE 90 CO -0.08 0.52 1.11 -1.81 -0.10 0.00 0.00 174.94 174.57 1ywu s ASP 91 N 1.07 4.83 0.10 3.58 1.11 -1.26 -4.74 116.67 121.36 1ywu s ASP 91 Ca -0.01 1.96 -0.27 0.00 0.18 0.00 0.00 52.55 54.41 1ywu s ASP 91 Cb -0.14 -2.54 -0.10 0.00 1.07 0.00 0.00 42.92 41.20 1ywu s ASP 91 CO -0.05 -1.82 1.65 -0.07 1.18 0.00 0.00 175.17 176.06 1ywu h LEU 92 N -0.41 -0.63 -1.07 1.23 3.38 -1.99 0.19 115.31 116.01 1ywu h LEU 92 Ca -0.46 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.49 1ywu h LEU 92 Cb 1.24 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 1ywu h LEU 92 CO 0.53 -0.33 -0.45 -2.24 0.09 0.00 0.00 178.44 176.04 1ywu h ASP 93 N -0.46 0.00 -0.38 -0.43 2.03 -1.99 -2.40 116.42 112.80 1ywu h ASP 93 Ca 0.01 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.28 1ywu h ASP 93 Cb 0.45 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.94 1ywu h ASP 93 CO -0.10 0.45 0.08 -1.28 -1.03 0.00 0.00 179.24 177.37 1ywu h SER 94 N 0.00 0.58 -0.23 4.15 0.87 -1.62 0.13 113.55 117.44 1ywu h SER 94 Ca -0.00 -0.24 0.03 0.00 -1.23 0.00 0.00 61.79 60.34 1ywu h SER 94 Cb 0.83 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.61 1ywu h SER 94 CO 0.06 0.68 0.06 0.40 -0.53 0.00 0.00 176.83 177.50 1ywu h ILE 95 N 0.47 0.92 -0.63 2.23 2.04 -0.41 -1.89 117.51 120.24 1ywu h ILE 95 Ca 0.12 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.87 1ywu h ILE 95 Cb 0.33 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1ywu h ILE 95 CO 0.00 0.03 0.19 -1.28 0.00 0.00 0.00 178.15 177.09 1ywu h SER 96 N 0.16 0.90 0.23 1.72 0.87 -1.17 0.48 113.55 116.74 1ywu h SER 96 Ca 0.10 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1ywu h SER 96 Cb 0.08 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 1ywu h SER 96 CO -0.12 0.85 -0.22 0.45 -0.53 0.00 0.00 176.83 177.26 1ywu h HIS 97 N 0.93 -0.58 -0.24 2.24 3.86 -0.34 0.13 115.15 121.15 1ywu h HIS 97 Ca 0.21 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.40 1ywu h HIS 97 Cb 0.28 0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 1ywu h HIS 97 CO 0.02 -0.33 0.09 1.25 0.86 0.00 0.00 177.93 179.82 1ywu h LEU 98 N -0.48 0.34 0.01 2.43 7.12 -1.12 -1.64 115.31 121.97 1ywu h LEU 98 Ca -0.00 -0.18 0.02 0.00 0.13 0.00 0.00 57.88 57.85 1ywu h LEU 98 Cb 0.44 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.46 1ywu h LEU 98 CO -0.04 0.42 -0.12 -0.09 -0.13 0.00 0.00 178.44 178.48 1ywu h ARG 99 N 0.23 -0.20 -0.32 1.25 2.43 -0.77 -1.10 114.38 115.91 1ywu h ARG 99 Ca 0.08 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1ywu h ARG 99 Cb 0.20 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1ywu h ARG 99 CO -0.01 -0.14 -0.02 -0.09 -1.51 0.00 0.00 179.97 178.21 1ywu h ARG 100 N -0.21 0.49 -0.61 0.20 9.65 -0.68 -1.50 114.38 121.71 1ywu h ARG 100 Ca 0.04 -0.11 -0.08 0.00 -1.10 0.00 0.00 59.98 58.73 1ywu h ARG 100 Cb 0.26 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 1ywu h ARG 100 CO -0.11 0.53 0.05 1.25 2.80 0.00 0.00 179.97 184.49 1ywu h LEU 101 N 0.47 1.00 -0.97 3.80 5.85 -0.86 -1.82 115.31 122.78 1ywu h LEU 101 Ca 0.10 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.50 1ywu h LEU 101 Cb 0.34 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1ywu h LEU 101 CO 0.01 1.02 0.01 0.58 -0.34 0.00 0.00 178.44 179.72 1ywu h VAL 102 N 0.96 1.24 -0.57 1.05 2.07 -0.35 -1.91 116.25 118.73 1ywu h VAL 102 Ca 0.18 -0.96 -0.05 0.00 0.82 0.00 0.00 66.70 66.70 1ywu h VAL 102 Cb 0.48 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1ywu h VAL 102 CO 0.02 0.34 0.18 -0.33 0.02 0.00 0.00 177.57 177.80 1ywu h GLU 103 N 0.71 0.89 -0.40 1.57 5.08 -0.88 0.17 114.58 121.71 1ywu h GLU 103 Ca 0.14 -0.19 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 1ywu h GLU 103 Cb 0.42 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1ywu h GLU 103 CO 0.02 0.80 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.54 1ywu h LEU 104 N 0.81 0.89 -0.96 1.33 3.38 -1.08 -3.13 115.31 116.55 1ywu h LEU 104 Ca 0.19 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1ywu h LEU 104 Cb 0.28 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1ywu h LEU 104 CO -0.01 1.10 -0.19 0.59 0.09 0.00 0.00 178.44 180.03 1ywu n ASN 105 N -4.21 1.67 -3.60 -0.43 3.02 -0.74 -4.95 115.26 106.03 1ywu n ASN 105 Ca -0.01 -1.36 -0.20 0.00 -0.03 0.00 0.00 54.58 52.97 1ywu n ASN 105 Cb 0.44 0.14 0.05 0.00 -0.61 0.00 0.00 39.78 39.81 1ywu n ASN 105 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ywu n LEU 106 N 0.03 -3.48 0.00 3.41 4.32 0.38 -4.85 117.00 116.80 1ywu n LEU 106 Ca 0.14 -0.75 0.04 0.00 -0.02 0.00 0.00 56.01 55.42 1ywu n LEU 106 Cb 0.41 -2.83 0.27 0.00 -1.62 0.00 0.00 43.42 39.65 1ywu n LEU 106 CO 0.22 0.39 0.51 0.61 -1.22 0.00 0.00 177.39 177.90 1ywu n GLY 107 N -1.42 -0.57 1.66 -0.72 0.00 0.04 -4.91 105.19 99.27 1ywu n GLY 107 Ca -0.29 -0.06 -0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.75 -4.62 0.31 1.61 10.43 -1.26 -4.70 116.55 117.57 1ywu n ASP 108 Ca 0.07 0.78 0.19 0.00 2.57 0.00 0.00 54.79 58.40 1ywu n ASP 108 Cb 0.03 -2.86 1.04 0.00 1.84 0.00 0.00 41.12 41.17 1ywu n ASP 108 CO 0.00 0.00 0.00 1.05 -1.07 0.00 0.00 177.20 177.18 1ywu h GLU 109 N 1.86 0.00 -0.69 -1.24 4.11 -1.93 -2.44 114.58 114.25 1ywu h GLU 109 Ca -0.05 0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.49 1ywu h GLU 109 Cb 0.10 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.27 1ywu h GLU 109 CO 0.00 0.01 0.30 0.93 0.07 0.00 0.00 179.01 180.33 1ywu h GLU 110 N 0.00 0.49 -0.46 1.06 5.08 -1.96 -1.76 114.58 117.03 1ywu h GLU 110 Ca -0.00 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1ywu h GLU 110 Cb 0.08 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1ywu h GLU 110 CO 0.00 0.32 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.20 1ywu h LEU 111 N 0.50 0.86 -1.29 1.33 3.38 -1.71 -3.06 115.31 115.32 1ywu h LEU 111 Ca 0.35 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1ywu h LEU 111 Cb 0.44 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1ywu h LEU 111 CO -0.32 1.00 -0.32 -0.07 0.09 0.00 0.00 178.44 178.83 1ywu h LEU 112 N 0.71 0.00 -3.19 1.67 3.38 -1.46 -3.20 115.31 113.22 1ywu h LEU 112 Ca 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1ywu h LEU 112 Cb 0.60 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1ywu h LEU 112 CO 0.04 0.32 -0.05 -0.62 0.09 0.00 0.00 178.44 178.21 1ywu n GLU 113 N -3.79 2.13 0.00 1.13 -0.58 -0.73 -1.86 120.64 116.95 1ywu n GLU 113 Ca -0.01 -2.89 0.00 0.00 -0.42 0.00 0.00 57.16 53.84 1ywu n GLU 113 Cb 0.41 -1.73 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 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 -0.95 0.00 -3.60 3.49 1.74 -1.16 -5.04 116.66 111.14 1ywu n ARG 114 Ca 0.23 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.31 1ywu n ARG 114 Cb 0.85 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 32.28 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 0.11 0.12 0.17 5.56 -6.30 -1.26 -4.90 118.70 112.19 1ywu s GLU 115 Ca 0.00 -0.06 -0.11 0.00 -2.50 0.00 0.00 54.97 52.30 1ywu s GLU 115 Cb 0.00 0.05 0.07 0.00 0.00 0.00 0.00 34.13 34.24 1ywu s GLU 115 CO 0.00 -0.05 1.68 1.25 0.02 0.00 0.00 175.26 178.16 1ywu h LEU 116 N 2.00 0.90 -0.04 2.70 5.85 -1.87 0.29 115.31 125.14 1ywu h LEU 116 Ca -0.21 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1ywu h LEU 116 Cb 1.17 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1ywu h LEU 116 CO 0.25 0.90 0.00 0.00 -0.34 0.00 0.00 178.44 179.26 1ywu n ALA 117 N -2.42 2.05 0.36 1.25 0.00 -1.26 -2.38 120.51 118.11 1ywu n ALA 117 Ca 0.03 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.49 1ywu n ALA 117 Cb 0.24 -1.38 0.12 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 -1.59 2.71 -4.61 0.00 4.77 -0.83 -4.97 117.00 112.47 1ywu n LEU 118 Ca 0.05 -1.35 -0.39 0.00 -0.03 0.00 0.00 56.01 54.30 1ywu n LEU 118 Cb 0.28 -0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 1ywu n LEU 118 CO 0.22 0.57 0.08 -0.22 -1.33 0.00 0.00 177.39 176.71 1ywu s LEU 119 N -1.24 4.05 0.08 2.23 2.96 0.03 -4.62 118.68 122.17 1ywu s LEU 119 Ca 0.24 0.32 0.04 0.00 -0.22 0.00 0.00 54.13 54.52 1ywu s LEU 119 Cb 0.15 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 1ywu s LEU 119 CO 0.21 -0.18 0.03 -0.69 -1.32 0.00 0.00 176.35 174.40 1ywu s VAL 120 N 2.04 4.22 0.89 1.68 1.01 -1.26 -5.00 120.40 123.98 1ywu s VAL 120 Ca 0.16 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 1ywu s VAL 120 Cb -0.16 -3.02 0.12 0.00 0.00 0.00 0.00 36.38 33.33 1ywu s VAL 120 CO 0.10 0.13 1.13 -0.55 0.00 0.00 0.00 175.10 175.91 1ywu s SER 121 N -2.31 3.70 0.37 3.32 0.15 -1.26 -4.90 113.70 112.77 1ywu s SER 121 Ca 0.27 1.04 0.19 0.00 0.70 0.00 0.00 55.95 58.15 1ywu s SER 121 Cb -0.12 -1.65 1.18 0.00 -1.71 0.00 0.00 66.02 63.72 1ywu s SER 121 CO 0.19 -2.44 1.67 0.00 1.20 0.00 0.00 173.24 173.86 1ywu h ALA 122 N -1.42 2.17 -2.18 5.45 0.00 -1.99 -3.08 119.26 118.23 1ywu h ALA 122 Ca -0.50 0.16 -0.72 0.00 0.00 0.00 0.00 54.91 53.85 1ywu h ALA 122 Cb 1.32 0.15 -0.20 0.00 0.00 0.00 0.00 17.79 19.06 1ywu h ALA 122 CO 0.61 -0.77 0.60 -3.38 0.00 0.00 0.00 179.25 176.31 1ywu s HIS 123 N -5.55 3.29 -0.13 0.00 -3.43 -1.26 -5.01 115.29 103.19 1ywu s HIS 123 Ca -0.09 -1.53 -0.29 0.00 -0.80 0.00 0.00 55.06 52.34 1ywu s HIS 123 Cb 0.30 -4.14 -0.01 0.00 -1.43 0.00 0.00 32.58 27.29 1ywu s HIS 123 CO 0.80 -1.34 1.12 0.16 -2.00 0.00 0.00 174.74 173.47 1ywu s ASP 124 N 3.22 7.10 0.00 7.38 -4.77 -1.17 -5.11 116.67 123.32 1ywu s ASP 124 Ca 0.28 1.60 0.00 0.00 -3.30 0.00 0.00 52.55 51.13 1ywu s ASP 124 Cb -0.07 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.21 1ywu s ASP 124 CO -0.08 -0.60 0.21 -0.67 0.70 0.00 0.00 175.17 174.72