#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 2.43 0.20 7.83 0.01 -1.26 -5.02 113.70 117.90 1ywu s SER 2 Ca 0.00 -0.38 -0.09 0.00 1.31 0.00 0.00 55.95 56.78 1ywu s SER 2 Cb 0.00 -0.38 0.14 0.00 0.21 0.00 0.00 66.02 65.99 1ywu s SER 2 CO 0.00 0.23 1.80 0.44 0.41 0.00 0.00 173.24 176.12 1ywu h ASP 3 N 5.78 0.98 0.00 2.44 3.32 -2.05 -3.45 116.42 123.43 1ywu h ASP 3 Ca -0.37 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1ywu h ASP 3 Cb 1.15 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1ywu h ASP 3 CO 0.48 0.83 0.00 1.67 -1.72 0.00 0.00 179.24 180.50 1ywu n GLN 4 N -4.40 0.00 -2.60 3.56 -0.06 -1.26 -4.87 117.38 107.75 1ywu n GLN 4 Ca 0.07 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.64 1ywu n GLN 4 Cb 0.13 -0.08 -0.03 0.00 -4.06 0.00 0.00 30.24 26.20 1ywu n GLN 4 CO 0.00 0.00 0.00 -1.01 -0.20 0.00 0.00 177.06 175.85 1ywu s HIS 5 N 0.00 3.44 -1.18 3.69 3.76 -1.26 -4.92 115.29 118.81 1ywu s HIS 5 Ca 0.00 1.47 0.28 0.00 -0.15 0.00 0.00 55.06 56.66 1ywu s HIS 5 Cb 0.00 -3.27 1.12 0.00 1.11 0.00 0.00 32.58 31.54 1ywu s HIS 5 CO 0.00 -0.62 1.83 -3.47 -0.85 0.00 0.00 174.74 171.63 1ywu n ASP 6 N 4.75 0.19 -3.68 1.40 -0.08 -1.26 -4.34 116.55 113.53 1ywu n ASP 6 Ca 0.09 0.06 -0.42 0.00 -1.51 0.00 0.00 54.79 53.00 1ywu n ASP 6 Cb 0.48 -0.23 -0.02 0.00 2.34 0.00 0.00 41.12 43.69 1ywu n ASP 6 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1ywu n GLU 7 N -1.37 2.52 -2.95 -0.67 -0.58 -1.26 -4.90 120.64 111.43 1ywu n GLU 7 Ca 0.09 -2.38 -0.18 0.00 -0.42 0.00 0.00 57.16 54.28 1ywu n GLU 7 Cb 0.31 -3.17 0.02 0.00 -0.57 0.00 0.00 31.44 28.04 1ywu n GLU 7 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1ywu s ARG 8 N 3.64 2.73 4.68 3.49 0.52 -1.26 -4.86 118.95 127.89 1ywu s ARG 8 Ca 0.50 -1.19 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 1ywu s ARG 8 Cb 0.14 -2.70 0.00 0.00 0.52 0.00 0.00 34.95 32.91 1ywu s ARG 8 CO -0.03 -0.40 0.00 0.54 0.02 0.00 0.00 175.30 175.43 1ywu n ARG 9 N -1.97 0.00 -3.51 3.54 5.12 -1.26 -4.85 116.66 113.73 1ywu n ARG 9 Ca 0.09 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.75 1ywu n ARG 9 Cb 0.59 0.00 0.02 0.00 -1.16 0.00 0.00 32.46 31.92 1ywu n ARG 9 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1ywu n ARG 10 N 4.17 -4.89 -2.03 5.56 3.00 -1.26 -4.83 116.66 116.38 1ywu n ARG 10 Ca 0.00 0.65 -0.41 0.00 -0.01 0.00 0.00 57.85 58.08 1ywu n ARG 10 Cb 0.00 -5.49 -0.01 0.00 0.00 0.00 0.00 32.46 26.96 1ywu n ARG 10 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1ywu n PHE 11 N -4.44 3.75 -3.15 -1.55 3.01 -1.26 -4.65 117.46 109.17 1ywu n PHE 11 Ca -0.01 -2.69 0.04 0.00 1.01 0.00 0.00 57.45 55.80 1ywu n PHE 11 Cb 0.55 -2.51 -0.00 0.00 -0.01 0.00 0.00 39.48 37.51 1ywu n PHE 11 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1ywu s HIS 12 N 4.42 -1.49 0.00 1.38 2.46 -1.26 -4.99 115.29 115.81 1ywu s HIS 12 Ca 0.52 0.87 0.00 0.00 0.47 0.00 0.00 55.06 56.92 1ywu s HIS 12 Cb 0.09 0.26 0.00 0.00 -0.13 0.00 0.00 32.58 32.80 1ywu s HIS 12 CO 0.02 -0.87 0.00 0.54 -2.47 0.00 0.00 174.74 171.96 1ywu n ARG 13 N 5.33 0.61 -1.59 2.88 1.74 -1.15 -4.87 116.66 119.62 1ywu n ARG 13 Ca 0.06 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.71 1ywu n ARG 13 Cb 0.55 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.96 1ywu n ARG 13 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1ywu n ILE 14 N -0.75 0.34 0.00 0.55 2.08 -1.26 -4.81 119.36 115.51 1ywu n ILE 14 Ca 0.00 -0.45 0.00 0.00 0.56 0.00 0.00 62.75 62.86 1ywu n ILE 14 Cb 0.00 -2.51 0.00 0.00 -0.75 0.00 0.00 39.64 36.38 1ywu n ILE 14 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ywu n ALA 15 N 11.53 0.00 -2.56 -1.39 0.00 -1.21 -3.68 120.51 123.20 1ywu n ALA 15 Ca 0.31 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.49 1ywu n ALA 15 Cb 0.43 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 1ywu n ALA 15 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1ywu s PHE 16 N 0.00 2.57 -0.70 0.00 -0.12 -1.26 -5.05 117.98 113.42 1ywu s PHE 16 Ca 0.00 -0.25 -0.26 0.00 -0.05 0.00 0.00 56.93 56.37 1ywu s PHE 16 Cb 0.00 -1.22 -0.01 0.00 -0.63 0.00 0.00 43.02 41.17 1ywu s PHE 16 CO 0.00 0.56 1.71 0.16 -0.05 0.00 0.00 175.22 177.60 1ywu s ASP 17 N -3.07 5.53 0.05 1.98 -4.77 -1.26 -4.93 116.67 110.19 1ywu s ASP 17 Ca 0.26 -0.05 0.02 0.00 -3.30 0.00 0.00 52.55 49.48 1ywu s ASP 17 Cb -0.08 -2.54 -0.03 0.00 -1.09 0.00 0.00 42.92 39.18 1ywu s ASP 17 CO 0.16 -2.25 -0.08 0.00 0.70 0.00 0.00 175.17 173.69 1ywu s ALA 18 N 8.19 0.66 -0.07 2.11 0.00 -1.26 -5.00 121.76 126.39 1ywu s ALA 18 Ca 0.59 -0.84 -0.23 0.00 0.00 0.00 0.00 51.96 51.48 1ywu s ALA 18 Cb -0.10 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1ywu s ALA 18 CO 0.15 -0.02 0.67 0.34 0.00 0.00 0.00 175.76 176.90 1ywu s ASP 19 N -1.72 6.95 -0.08 0.00 2.15 -1.00 -4.67 116.67 118.29 1ywu s ASP 19 Ca -0.07 1.14 0.00 0.00 0.43 0.00 0.00 52.55 54.05 1ywu s ASP 19 Cb -0.09 -2.40 0.02 0.00 -0.30 0.00 0.00 42.92 40.16 1ywu s ASP 19 CO 0.00 -0.09 -0.07 -0.94 -0.17 0.00 0.00 175.17 173.89 1ywu s SER 20 N 0.74 1.77 -0.18 -0.34 1.04 -1.26 0.21 113.70 115.68 1ywu s SER 20 Ca 0.36 -0.24 -0.04 0.00 0.48 0.00 0.00 55.95 56.50 1ywu s SER 20 Cb -0.17 -0.72 -0.02 0.00 0.10 0.00 0.00 66.02 65.21 1ywu s SER 20 CO 0.17 -0.07 -0.02 -1.61 0.98 0.00 0.00 173.24 172.69 1ywu s GLU 21 N 1.30 3.62 -0.33 4.02 2.02 -0.67 -1.14 118.70 127.52 1ywu s GLU 21 Ca -0.03 -0.53 -0.07 0.00 0.02 0.00 0.00 54.97 54.36 1ywu s GLU 21 Cb -0.14 -3.01 0.03 0.00 0.10 0.00 0.00 34.13 31.12 1ywu s GLU 21 CO -0.03 0.09 0.10 0.42 0.02 0.00 0.00 175.26 175.86 1ywu s ILE 22 N 0.79 3.82 0.06 -1.63 1.09 -0.03 -0.96 121.20 124.33 1ywu s ILE 22 Ca -0.00 -1.04 0.05 0.00 -1.10 0.00 0.00 60.65 58.56 1ywu s ILE 22 Cb -0.14 -3.12 -0.03 0.00 -1.06 0.00 0.00 42.46 38.11 1ywu s ILE 22 CO 0.02 -0.12 -0.15 -1.48 -0.10 0.00 0.00 174.94 173.11 1ywu s LEU 23 N 1.42 2.22 -0.37 2.97 2.34 -0.56 -0.40 118.68 126.31 1ywu s LEU 23 Ca -0.01 -0.54 0.01 0.00 0.06 0.00 0.00 54.13 53.66 1ywu s LEU 23 Cb -0.19 -0.60 0.10 0.00 -0.56 0.00 0.00 46.19 44.94 1ywu s LEU 23 CO 0.03 -0.00 0.11 0.00 -1.06 0.00 0.00 176.35 175.42 1ywu s GLN 24 N -1.42 1.71 2.92 1.48 -2.07 0.38 -0.34 119.66 122.31 1ywu s GLN 24 Ca 0.01 -1.84 0.00 0.00 -1.82 0.00 0.00 55.36 51.70 1ywu s GLN 24 Cb -0.09 -3.35 0.00 0.00 -1.09 0.00 0.00 33.01 28.48 1ywu s GLN 24 CO 0.02 -0.98 0.00 0.41 -1.32 0.00 0.00 175.29 173.41 1ywu n GLY 25 N 4.39 1.11 0.00 2.60 0.00 -1.26 -2.36 105.19 109.66 1ywu n GLY 25 Ca 0.01 0.35 0.05 0.00 0.00 0.00 0.00 46.02 46.43 1ywu n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ywu n GLU 26 N 0.00 3.11 -3.64 1.61 1.02 -1.26 -4.92 120.64 116.56 1ywu n GLU 26 Ca 0.00 -0.01 -0.39 0.00 -0.02 0.00 0.00 57.16 56.74 1ywu n GLU 26 Cb 0.00 -1.03 -0.12 0.00 -0.02 0.00 0.00 31.44 30.27 1ywu n GLU 26 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1ywu s ARG 27 N -2.10 3.45 -0.04 3.49 6.06 -1.00 -5.08 118.95 123.75 1ywu s ARG 27 Ca 0.03 -0.65 0.06 0.00 -2.50 0.00 0.00 55.73 52.67 1ywu s ARG 27 Cb 0.08 -3.58 -0.02 0.00 0.06 0.00 0.00 34.95 31.48 1ywu s ARG 27 CO 0.44 -0.38 -0.20 -0.98 -2.50 0.00 0.00 175.30 171.68 1ywu s ARG 28 N 1.64 2.32 -0.30 5.12 1.70 -1.26 -0.47 118.95 127.70 1ywu s ARG 28 Ca 0.05 -0.82 0.01 0.00 -0.47 0.00 0.00 55.73 54.50 1ywu s ARG 28 Cb -0.17 -2.21 0.06 0.00 -0.57 0.00 0.00 34.95 32.07 1ywu s ARG 28 CO 0.07 0.58 -0.02 -1.58 -1.08 0.00 0.00 175.30 173.27 1ywu s TRP 29 N -0.65 3.35 -0.49 5.89 0.51 0.46 -4.95 118.94 123.06 1ywu s TRP 29 Ca 0.10 -2.24 -0.28 0.00 -2.12 0.00 0.00 56.10 51.57 1ywu s TRP 29 Cb -0.10 -2.22 -0.01 0.00 -0.81 0.00 0.00 33.47 30.33 1ywu s TRP 29 CO -0.00 -0.87 1.68 -2.00 -0.51 0.00 0.00 176.95 175.25 1ywu s GLU 30 N 1.14 3.11 0.33 4.98 2.12 -1.26 -0.85 118.70 128.27 1ywu s GLU 30 Ca -0.04 0.84 0.04 0.00 0.36 0.00 0.00 54.97 56.17 1ywu s GLU 30 Cb -0.20 -4.22 -0.01 0.00 0.26 0.00 0.00 34.13 29.95 1ywu s GLU 30 CO -0.04 -2.14 0.13 1.55 -0.54 0.00 0.00 175.26 174.22 1ywu n VAL 31 N 7.16 0.00 -3.43 3.70 3.14 -0.29 -5.01 118.33 123.60 1ywu n VAL 31 Ca 0.19 -1.94 -0.39 0.00 -2.96 0.00 0.00 64.34 59.23 1ywu n VAL 31 Cb 0.49 0.72 -0.09 0.00 -1.06 0.00 0.00 33.84 33.90 1ywu n VAL 31 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1ywu s LEU 32 N 0.00 4.09 0.43 6.55 1.43 -1.26 -4.05 118.68 125.87 1ywu s LEU 32 Ca 0.18 0.16 -0.23 0.00 -1.03 0.00 0.00 54.13 53.20 1ywu s LEU 32 Cb 0.01 -2.36 -0.08 0.00 0.03 0.00 0.00 46.19 43.79 1ywu s LEU 32 CO 0.13 -0.18 1.12 -0.22 0.23 0.00 0.00 176.35 177.43 1ywu s LEU 33 N 2.01 4.07 0.00 1.79 2.96 -1.26 -2.42 118.68 125.82 1ywu s LEU 33 Ca 0.13 2.20 0.00 0.00 -0.22 0.00 0.00 54.13 56.24 1ywu s LEU 33 Cb -0.16 -4.22 0.00 0.00 0.50 0.00 0.00 46.19 42.31 1ywu s LEU 33 CO 0.10 -0.74 0.00 1.41 -1.32 0.00 0.00 176.35 175.81 1ywu n HIS 34 N -0.31 0.00 -4.45 5.38 8.25 -1.22 -4.84 115.22 118.02 1ywu n HIS 34 Ca 0.06 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.28 1ywu n HIS 34 Cb 0.49 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.50 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 1.00 3.86 -0.20 0.41 3.68 -0.39 -3.31 116.67 121.72 1ywu s ASP 35 Ca 0.00 -1.05 -0.27 0.00 2.13 0.00 0.00 52.55 53.36 1ywu s ASP 35 Cb 0.00 -0.42 0.09 0.00 -1.45 0.00 0.00 42.92 41.15 1ywu s ASP 35 CO 0.00 -0.11 0.84 0.54 0.13 0.00 0.00 175.17 176.57 1ywu s VAL 36 N -2.53 0.00 0.29 1.11 0.11 -1.26 -0.40 120.40 117.71 1ywu s VAL 36 Ca 0.32 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.38 1ywu s VAL 36 Cb -0.01 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.83 1ywu s VAL 36 CO 0.17 0.00 0.05 -1.54 -3.33 0.00 0.00 175.10 170.45 1ywu n SER 37 N 1.77 1.96 -0.24 3.54 3.41 0.13 -4.43 113.62 119.76 1ywu n SER 37 Ca -0.14 -2.38 0.14 0.00 -0.26 0.00 0.00 58.87 56.23 1ywu n SER 37 Cb 0.56 0.45 0.69 0.00 -0.26 0.00 0.00 64.21 65.65 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 0.74 -0.00 1.04 4.77 0.09 -3.50 117.00 120.13 1ywu n LEU 38 Ca -0.08 -0.26 0.03 0.00 -0.03 0.00 0.00 56.01 55.67 1ywu n LEU 38 Cb 0.39 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.42 1ywu n LEU 38 CO 0.21 0.13 -0.50 1.41 -1.33 0.00 0.00 177.39 177.31 1ywu n HIS 39 N -0.40 0.00 -3.64 -1.77 -0.00 -1.26 -4.89 115.22 103.27 1ywu n HIS 39 Ca 0.20 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.90 1ywu n HIS 39 Cb 0.22 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.99 30.06 1ywu n HIS 39 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1ywu s GLY 40 N -2.61 -0.19 0.05 -1.41 0.00 -1.23 -1.50 107.32 100.43 1ywu s GLY 40 Ca -0.02 1.94 0.08 0.00 0.00 0.00 0.00 44.72 46.73 1ywu s GLY 40 CO 0.28 0.66 -0.23 -1.50 0.00 0.00 0.00 173.10 172.30 1ywu s ILE 41 N -2.02 1.90 -0.26 0.90 2.07 -0.82 0.19 121.20 123.17 1ywu s ILE 41 Ca 0.11 -1.31 0.02 0.00 -1.41 0.00 0.00 60.65 58.06 1ywu s ILE 41 Cb -0.01 -1.64 0.05 0.00 0.13 0.00 0.00 42.46 40.99 1ywu s ILE 41 CO -0.03 0.27 -0.10 -0.22 -1.91 0.00 0.00 174.94 172.95 1ywu s LEU 42 N -1.24 3.35 0.31 8.50 2.96 0.47 -0.74 118.68 132.28 1ywu s LEU 42 Ca 0.10 -1.25 0.09 0.00 -0.22 0.00 0.00 54.13 52.84 1ywu s LEU 42 Cb -0.09 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1ywu s LEU 42 CO 0.02 -0.17 0.08 0.68 -1.32 0.00 0.00 176.35 175.64 1ywu s VAL 43 N 1.17 3.17 -0.70 1.68 -7.23 -0.64 -1.26 120.40 116.59 1ywu s VAL 43 Ca -0.06 -1.78 -0.06 0.00 -1.81 0.00 0.00 61.98 58.26 1ywu s VAL 43 Cb -0.19 -2.93 0.18 0.00 0.56 0.00 0.00 36.38 34.00 1ywu s VAL 43 CO -0.05 -0.25 0.55 -0.83 -0.31 0.00 0.00 175.10 174.21 1ywu s GLY 44 N -3.78 2.58 -0.36 2.32 0.00 -1.02 -1.11 107.32 105.95 1ywu s GLY 44 Ca 0.35 -3.31 0.00 0.00 0.00 0.00 0.00 44.72 41.77 1ywu s GLY 44 CO 0.21 1.15 0.10 1.62 0.00 0.00 0.00 173.10 176.18 1ywu s GLN 45 N -0.05 1.85 -0.07 2.90 0.74 -0.13 -4.26 119.66 120.64 1ywu s GLN 45 Ca 0.18 -1.75 0.05 0.00 0.05 0.00 0.00 55.36 53.88 1ywu s GLN 45 Cb -0.17 -3.34 0.26 0.00 1.10 0.00 0.00 33.01 30.86 1ywu s GLN 45 CO -0.05 -0.93 0.93 -0.35 -0.55 0.00 0.00 175.29 174.34 1ywu n PRO 46 N 4.45 2.16 -3.64 1.67 -0.05 -1.26 -4.56 135.00 133.76 1ywu n PRO 46 Ca -0.02 -0.99 -0.39 0.00 -0.05 0.00 0.00 63.50 62.06 1ywu n PRO 46 Cb 0.42 -1.68 -0.11 0.00 -0.05 0.00 0.00 33.50 32.08 1ywu n PRO 46 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 175.50 174.80 1ywu s GLN 47 N -1.58 3.25 0.67 0.54 -1.52 -1.26 -5.06 119.66 114.69 1ywu s GLN 47 Ca 0.17 -0.78 -0.14 0.00 -1.95 0.00 0.00 55.36 52.66 1ywu s GLN 47 Cb 0.13 -3.61 0.00 0.00 -0.22 0.00 0.00 33.01 29.31 1ywu s GLN 47 CO 0.06 -0.47 1.09 -0.51 -0.25 0.00 0.00 175.29 175.21 1ywu s ASP 48 N 1.61 5.18 0.00 5.90 1.11 -1.26 -5.06 116.67 124.15 1ywu s ASP 48 Ca 0.04 1.90 0.00 0.00 0.18 0.00 0.00 52.55 54.67 1ywu s ASP 48 Cb -0.17 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.28 1ywu s ASP 48 CO 0.07 -1.58 0.00 -2.67 1.18 0.00 0.00 175.17 172.17 1ywu n TRP 49 N -2.57 -0.33 -0.24 4.23 2.14 -1.26 -5.04 117.44 114.38 1ywu n TRP 49 Ca 0.10 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.67 1ywu n TRP 49 Cb 0.52 0.00 0.23 0.00 -0.81 0.00 0.00 31.31 31.25 1ywu n TRP 49 CO 0.00 0.00 0.00 -2.95 2.07 0.00 0.00 177.69 176.81 1ywu h ASN 50 N 0.00 0.90 -3.19 -0.67 -1.07 -2.05 -3.46 115.58 106.03 1ywu h ASN 50 Ca 0.00 -0.02 -0.15 0.00 0.07 0.00 0.00 56.30 56.20 1ywu h ASN 50 Cb 0.00 -0.22 0.06 0.00 -2.07 0.00 0.00 38.32 36.09 1ywu h ASN 50 CO 0.00 0.65 -0.29 0.61 0.07 0.00 0.00 177.43 178.47 1ywu n GLY 51 N -1.42 0.24 3.30 9.14 0.00 -1.26 -5.03 105.19 110.17 1ywu n GLY 51 Ca 0.09 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.32 4.16 0.33 1.61 -1.08 -1.26 -4.99 116.67 112.12 1ywu s ASP 52 Ca 0.13 -0.41 0.24 0.00 -0.52 0.00 0.00 52.55 51.99 1ywu s ASP 52 Cb -0.06 -1.70 1.21 0.00 -1.46 0.00 0.00 42.92 40.91 1ywu s ASP 52 CO 0.29 0.00 1.72 1.55 0.52 0.00 0.00 175.17 179.26 1ywu h PRO 53 N 7.95 0.00 -0.34 4.34 0.13 -1.96 -1.08 132.00 141.04 1ywu h PRO 53 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1ywu h PRO 53 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ywu h PRO 53 CO 0.60 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.41 1ywu n GLN 54 N -2.32 1.93 -3.54 0.86 6.02 -1.26 -4.01 117.38 115.06 1ywu n GLN 54 Ca -0.01 -1.43 -0.42 0.00 -0.01 0.00 0.00 57.00 55.14 1ywu n GLN 54 Cb 0.08 -1.36 -0.11 0.00 1.02 0.00 0.00 30.24 29.88 1ywu n GLN 54 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1ywu s ARG 55 N -1.56 2.87 0.03 -1.09 1.81 -0.41 -5.05 118.95 115.56 1ywu s ARG 55 Ca 0.30 -1.07 -0.32 0.00 -1.72 0.00 0.00 55.73 52.92 1ywu s ARG 55 Cb 0.16 -3.83 -0.11 0.00 -0.45 0.00 0.00 34.95 30.71 1ywu s ARG 55 CO 0.22 -0.73 1.84 -2.30 -0.68 0.00 0.00 175.30 173.66 1ywu n PRO 56 N 5.06 2.49 -4.41 3.54 -0.02 -1.26 -4.49 135.00 135.91 1ywu n PRO 56 Ca -0.11 0.91 -0.34 0.00 -2.02 0.00 0.00 63.50 61.93 1ywu n PRO 56 Cb 0.46 -2.78 -0.11 0.00 -0.02 0.00 0.00 33.50 31.05 1ywu n PRO 56 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1ywu s PHE 57 N 3.31 3.07 -0.19 6.00 2.99 0.01 -4.42 117.98 128.75 1ywu s PHE 57 Ca 0.87 -0.06 -0.07 0.00 0.00 0.00 0.00 56.93 57.67 1ywu s PHE 57 Cb -0.58 -1.87 -0.04 0.00 0.00 0.00 0.00 43.02 40.54 1ywu s PHE 57 CO 0.44 0.21 0.07 -1.21 -0.00 0.00 0.00 175.22 174.72 1ywu s GLU 58 N -0.25 3.93 -0.40 0.44 2.02 0.53 -0.40 118.70 124.57 1ywu s GLU 58 Ca 0.05 -0.36 -0.10 0.00 0.02 0.00 0.00 54.97 54.58 1ywu s GLU 58 Cb -0.13 -3.24 0.06 0.00 0.10 0.00 0.00 34.13 30.92 1ywu s GLU 58 CO 0.02 0.20 0.24 0.00 0.02 0.00 0.00 175.26 175.74 1ywu s ALA 59 N 0.56 3.28 -0.31 5.21 0.00 -0.45 -1.50 121.76 128.56 1ywu s ALA 59 Ca 0.03 -1.95 -0.05 0.00 0.00 0.00 0.00 51.96 49.99 1ywu s ALA 59 Cb -0.13 -2.63 0.03 0.00 0.00 0.00 0.00 23.12 20.39 1ywu s ALA 59 CO 0.01 -1.53 0.06 0.50 0.00 0.00 0.00 175.76 174.80 1ywu s ARG 60 N 1.49 2.79 -0.25 0.00 3.52 -0.13 -2.36 118.95 124.00 1ywu s ARG 60 Ca 0.02 -1.05 -0.11 0.00 -0.13 0.00 0.00 55.73 54.46 1ywu s ARG 60 Cb -0.21 -3.33 -0.05 0.00 -1.56 0.00 0.00 34.95 29.80 1ywu s ARG 60 CO 0.04 -0.55 0.17 -0.51 -0.81 0.00 0.00 175.30 173.65 1ywu s LEU 61 N 1.41 4.09 -0.34 -0.88 1.43 0.47 -1.67 118.68 123.18 1ywu s LEU 61 Ca -0.00 0.09 -0.10 0.00 -1.03 0.00 0.00 54.13 53.08 1ywu s LEU 61 Cb -0.18 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 43.93 1ywu s LEU 61 CO 0.01 0.03 0.18 -0.31 0.23 0.00 0.00 176.35 176.49 1ywu s TYR 62 N 1.25 3.21 -0.49 0.29 2.02 0.13 -0.80 117.35 122.96 1ywu s TYR 62 Ca 0.08 -0.78 0.20 0.00 -0.37 0.00 0.00 57.07 56.20 1ywu s TYR 62 Cb -0.14 -2.40 -0.27 0.00 -0.40 0.00 0.00 41.96 38.75 1ywu s TYR 62 CO 0.06 -0.56 0.66 1.28 -1.57 0.00 0.00 175.55 175.42 1ywu n LEU 63 N 4.99 0.48 0.00 -1.29 7.99 -1.01 -2.38 117.00 125.78 1ywu n LEU 63 Ca -0.13 -0.25 0.00 0.00 -0.01 0.00 0.00 56.01 55.62 1ywu n LEU 63 Cb 0.47 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.78 1ywu n LEU 63 CO 0.35 0.12 0.00 0.61 -1.51 0.00 0.00 177.39 176.96 1ywu n GLY 64 N 1.40 -0.91 0.11 -0.72 0.00 -1.03 -4.86 105.19 99.18 1ywu n GLY 64 Ca 0.00 -1.05 0.13 0.00 0.00 0.00 0.00 46.02 45.10 1ywu n GLY 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ywu n LEU 65 N 0.00 0.78 -0.11 0.99 4.77 -1.26 -3.65 117.00 118.52 1ywu n LEU 65 Ca 0.00 0.60 -0.23 0.00 -0.03 0.00 0.00 56.01 56.36 1ywu n LEU 65 Cb 0.00 -0.39 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 1ywu n LEU 65 CO 0.00 -0.29 -0.74 -0.67 -1.33 0.00 0.00 177.39 174.35 1ywu n ASP 66 N -2.26 1.88 -4.43 -1.43 2.03 -1.26 -4.78 116.55 106.30 1ywu n ASP 66 Ca 0.05 0.41 -0.44 0.00 0.52 0.00 0.00 54.79 55.33 1ywu n ASP 66 Cb 0.37 -0.92 -0.04 0.00 -0.72 0.00 0.00 41.12 39.81 1ywu n ASP 66 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1ywu s VAL 67 N -2.40 4.48 -0.15 5.18 1.01 -1.24 -5.01 120.40 122.26 1ywu s VAL 67 Ca -0.31 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1ywu s VAL 67 Cb 0.08 -4.63 -0.00 0.00 0.00 0.00 0.00 36.38 31.83 1ywu s VAL 67 CO 0.54 -1.37 -0.16 -0.22 0.00 0.00 0.00 175.10 173.90 1ywu s LEU 68 N 3.63 2.44 -0.19 3.92 2.96 -1.26 -2.39 118.68 127.79 1ywu s LEU 68 Ca 0.19 -0.48 -0.09 0.00 -0.22 0.00 0.00 54.13 53.52 1ywu s LEU 68 Cb -0.19 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 1ywu s LEU 68 CO 0.09 0.08 0.13 -0.63 -1.32 0.00 0.00 176.35 174.70 1ywu s ILE 69 N 0.83 5.42 -0.06 6.68 1.01 0.02 -4.65 121.20 130.45 1ywu s ILE 69 Ca -0.05 0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.78 1ywu s ILE 69 Cb -0.15 -3.46 0.03 0.00 0.01 0.00 0.00 42.46 38.89 1ywu s ILE 69 CO -0.01 0.47 0.02 0.00 0.00 0.00 0.00 174.94 175.43 1ywu s ARG 70 N 0.14 0.37 -0.09 2.79 1.70 -1.26 -0.40 118.95 122.19 1ywu s ARG 70 Ca 0.09 0.20 -0.04 0.00 -0.47 0.00 0.00 55.73 55.51 1ywu s ARG 70 Cb -0.11 -0.80 0.04 0.00 -0.57 0.00 0.00 34.95 33.51 1ywu s ARG 70 CO -0.01 -0.31 0.21 0.00 -1.08 0.00 0.00 175.30 174.11 1ywu s MET 71 N 2.02 0.15 -0.10 3.89 0.23 -1.00 -3.11 119.30 121.37 1ywu s MET 71 Ca 0.05 0.49 -0.19 0.00 -1.03 0.00 0.00 55.69 55.00 1ywu s MET 71 Cb -0.12 -0.15 -0.04 0.00 -1.53 0.00 0.00 34.83 32.99 1ywu s MET 71 CO -0.04 -0.18 0.53 -2.00 -2.03 0.00 0.00 175.02 171.30 1ywu s GLU 72 N 1.35 4.36 0.08 3.16 2.12 0.46 -1.34 118.70 128.89 1ywu s GLU 72 Ca -0.08 0.55 0.03 0.00 0.36 0.00 0.00 54.97 55.84 1ywu s GLU 72 Cb -0.11 -3.44 -0.03 0.00 0.26 0.00 0.00 34.13 30.81 1ywu s GLU 72 CO -0.08 0.14 -0.10 0.96 -0.54 0.00 0.00 175.26 175.65 1ywu s ILE 73 N 0.65 0.86 0.02 -3.70 -4.36 0.46 -1.51 121.20 113.60 1ywu s ILE 73 Ca 0.29 -1.47 0.02 0.00 -0.26 0.00 0.00 60.65 59.23 1ywu s ILE 73 Cb -0.16 -1.15 -0.04 0.00 1.25 0.00 0.00 42.46 42.36 1ywu s ILE 73 CO 0.12 -0.48 -0.00 -0.55 0.24 0.00 0.00 174.94 174.27 1ywu s SER 74 N -2.16 5.07 -0.36 4.36 0.15 0.44 -0.81 113.70 120.39 1ywu s SER 74 Ca 0.01 -0.05 -0.29 0.00 0.70 0.00 0.00 55.95 56.33 1ywu s SER 74 Cb -0.05 -1.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.96 1ywu s SER 74 CO 0.00 0.26 1.44 -0.22 1.20 0.00 0.00 173.24 175.93 1ywu s LEU 75 N -1.68 3.67 -0.20 3.45 2.96 -1.26 -0.32 118.68 125.30 1ywu s LEU 75 Ca 0.21 1.02 -0.17 0.00 -0.22 0.00 0.00 54.13 54.97 1ywu s LEU 75 Cb -0.12 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 42.90 1ywu s LEU 75 CO 0.12 -1.37 0.02 0.00 -1.32 0.00 0.00 176.35 173.80 1ywu n ALA 76 N 8.67 0.75 -3.38 5.97 0.00 -1.08 -4.52 120.51 126.92 1ywu n ALA 76 Ca 0.17 -0.55 -0.13 0.00 0.00 0.00 0.00 53.44 52.92 1ywu n ALA 76 Cb 0.47 -0.31 -0.09 0.00 0.00 0.00 0.00 19.45 19.52 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 -2.37 -0.52 -0.36 0.00 1.48 -0.94 -5.04 118.94 111.19 1ywu s TRP 77 Ca -0.26 1.26 0.02 0.00 -1.06 0.00 0.00 56.10 56.06 1ywu s TRP 77 Cb 0.06 0.19 0.10 0.00 -1.16 0.00 0.00 33.47 32.66 1ywu s TRP 77 CO 0.48 -0.27 0.09 0.00 -4.06 0.00 0.00 176.95 173.18 1ywu s ALA 78 N 0.14 2.96 -1.15 2.67 0.00 -1.26 -0.98 121.76 124.14 1ywu s ALA 78 Ca -0.01 -2.54 -0.08 0.00 0.00 0.00 0.00 51.96 49.33 1ywu s ALA 78 Cb -0.03 -2.07 0.26 0.00 0.00 0.00 0.00 23.12 21.27 1ywu s ALA 78 CO 0.01 -1.71 1.44 -2.13 0.00 0.00 0.00 175.76 173.36 1ywu n ARG 79 N 4.33 3.89 0.00 0.00 3.00 0.41 -4.90 116.66 123.39 1ywu n ARG 79 Ca 0.03 -4.24 0.00 0.00 -0.00 0.00 0.00 57.85 53.63 1ywu n ARG 79 Cb 0.42 -2.67 0.00 0.00 0.00 0.00 0.00 32.46 30.21 1ywu n ARG 79 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1ywu n ASP 80 N 2.81 0.00 -0.02 6.15 9.92 -1.26 -1.49 116.55 132.66 1ywu n ASP 80 Ca 0.29 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.58 1ywu n ASP 80 Cb 0.37 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.77 1ywu n ASP 80 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ywu n GLY 81 N 0.00 -0.49 3.41 0.44 0.00 -1.26 -4.56 105.19 102.72 1ywu n GLY 81 Ca 0.00 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.99 3.81 -0.17 0.99 1.43 -0.56 -0.95 118.68 119.24 1ywu s LEU 82 Ca -0.04 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.55 1ywu s LEU 82 Cb 0.06 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 1ywu s LEU 82 CO 0.44 -0.14 -0.07 -0.76 0.23 0.00 0.00 176.35 176.04 1ywu s LEU 83 N 1.58 2.96 -0.17 1.79 1.02 -0.27 -0.44 118.68 125.15 1ywu s LEU 83 Ca 0.04 -0.28 -0.05 0.00 0.02 0.00 0.00 54.13 53.87 1ywu s LEU 83 Cb -0.16 -1.71 -0.03 0.00 0.02 0.00 0.00 46.19 44.30 1ywu s LEU 83 CO 0.04 0.11 0.00 -0.83 0.02 0.00 0.00 176.35 175.69 1ywu s GLY 84 N 0.72 1.78 0.09 -3.19 0.00 -0.16 -1.61 107.32 104.96 1ywu s GLY 84 Ca -0.03 -0.83 0.07 0.00 0.00 0.00 0.00 44.72 43.94 1ywu s GLY 84 CO 0.02 0.03 -0.13 -1.36 0.00 0.00 0.00 173.10 171.66 1ywu s PHE 85 N 0.48 2.68 -0.17 1.90 0.08 0.08 -2.20 117.98 120.82 1ywu s PHE 85 Ca -0.01 -0.19 -0.22 0.00 0.12 0.00 0.00 56.93 56.63 1ywu s PHE 85 Cb -0.14 -1.42 -0.02 0.00 -0.57 0.00 0.00 43.02 40.87 1ywu s PHE 85 CO 0.02 0.39 0.70 -2.00 -0.10 0.00 0.00 175.22 174.23 1ywu s GLU 86 N -2.06 4.26 -0.19 0.44 2.12 0.56 -1.95 118.70 121.89 1ywu s GLU 86 Ca 0.19 0.77 -0.29 0.00 0.36 0.00 0.00 54.97 56.01 1ywu s GLU 86 Cb -0.11 -3.56 -0.00 0.00 0.26 0.00 0.00 34.13 30.72 1ywu s GLU 86 CO 0.11 -0.24 1.10 0.00 -0.54 0.00 0.00 175.26 175.69 1ywu n GLN 88 N 6.16 0.07 -3.91 0.00 6.02 -0.57 -4.89 117.38 120.25 1ywu n GLN 88 Ca 0.12 0.03 -0.33 0.00 -0.01 0.00 0.00 57.00 56.80 1ywu n GLN 88 Cb 0.46 -0.42 -0.13 0.00 1.02 0.00 0.00 30.24 31.16 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 -1.39 3.64 -0.13 1.08 5.04 -0.94 -4.99 115.29 117.60 1ywu s HIS 89 Ca -0.04 -2.66 -0.02 0.00 -1.54 0.00 0.00 55.06 50.80 1ywu s HIS 89 Cb 0.01 -2.96 -0.03 0.00 0.04 0.00 0.00 32.58 29.63 1ywu s HIS 89 CO 0.05 -0.95 -0.05 0.42 -2.34 0.00 0.00 174.74 171.88 1ywu s ILE 90 N 1.03 3.81 0.37 0.89 1.01 -1.26 -0.40 121.20 126.65 1ywu s ILE 90 Ca 0.08 -0.40 -0.25 0.00 0.00 0.00 0.00 60.65 60.08 1ywu s ILE 90 Cb -0.21 -2.64 -0.09 0.00 0.01 0.00 0.00 42.46 39.53 1ywu s ILE 90 CO -0.06 0.52 1.03 -0.62 0.00 0.00 0.00 174.94 175.81 1ywu s ASP 91 N 0.09 6.93 0.15 3.58 2.15 -1.18 -4.93 116.67 123.46 1ywu s ASP 91 Ca -0.01 2.00 -0.13 0.00 0.43 0.00 0.00 52.55 54.85 1ywu s ASP 91 Cb -0.14 -2.59 0.03 0.00 -0.30 0.00 0.00 42.92 39.92 1ywu s ASP 91 CO 0.03 -0.37 1.63 -0.07 -0.17 0.00 0.00 175.17 176.22 1ywu h LEU 92 N 2.73 0.82 -0.80 -1.34 3.38 -1.99 0.95 115.31 119.07 1ywu h LEU 92 Ca -0.48 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.16 1ywu h LEU 92 Cb 1.21 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1ywu h LEU 92 CO 0.63 0.89 0.26 -0.78 0.09 0.00 0.00 178.44 179.53 1ywu h ASP 93 N 0.72 1.07 -0.33 -0.43 3.58 -1.98 0.08 116.42 119.15 1ywu h ASP 93 Ca 0.15 -0.19 0.05 0.00 0.42 0.00 0.00 57.03 57.46 1ywu h ASP 93 Cb 0.44 -0.28 -0.05 0.00 1.72 0.00 0.00 39.33 41.16 1ywu h ASP 93 CO 0.02 0.98 0.04 -1.28 -2.88 0.00 0.00 179.24 176.11 1ywu h SER 94 N 1.11 -0.05 -0.59 2.28 0.87 -1.70 -0.85 113.55 114.62 1ywu h SER 94 Ca 0.25 0.06 0.03 0.00 -1.23 0.00 0.00 61.79 60.90 1ywu h SER 94 Cb 0.27 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.29 1ywu h SER 94 CO -0.01 0.01 0.36 0.40 -0.53 0.00 0.00 176.83 177.06 1ywu h ILE 95 N 0.14 1.06 -0.56 2.23 2.04 -0.21 -0.33 117.51 121.89 1ywu h ILE 95 Ca 0.16 -0.24 0.06 0.00 1.00 0.00 0.00 64.86 65.83 1ywu h ILE 95 Cb 0.19 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 1ywu h ILE 95 CO -0.23 0.13 0.27 -1.28 0.00 0.00 0.00 178.15 177.04 1ywu h SER 96 N 0.71 0.36 -0.02 1.72 0.87 -0.49 0.61 113.55 117.31 1ywu h SER 96 Ca 0.24 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1ywu h SER 96 Cb 0.03 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1ywu h SER 96 CO -0.10 0.24 0.01 0.45 -0.53 0.00 0.00 176.83 176.89 1ywu h HIS 97 N 0.51 0.03 0.37 2.24 3.86 -0.57 -2.52 115.15 119.08 1ywu h HIS 97 Ca 0.26 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.45 1ywu h HIS 97 Cb 0.20 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1ywu h HIS 97 CO -0.11 0.19 -0.18 1.25 0.86 0.00 0.00 177.93 179.94 1ywu h LEU 98 N -0.14 -0.42 -0.70 2.43 5.85 -0.68 -1.78 115.31 119.86 1ywu h LEU 98 Ca 0.01 -0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.49 1ywu h LEU 98 Cb 0.17 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1ywu h LEU 98 CO -0.00 -0.12 -0.29 -0.09 -0.34 0.00 0.00 178.44 177.60 1ywu h ARG 99 N -0.74 0.69 0.00 1.25 2.43 -0.99 -2.32 114.38 114.70 1ywu h ARG 99 Ca -0.05 -0.30 -0.11 0.00 -0.81 0.00 0.00 59.98 58.71 1ywu h ARG 99 Cb 0.51 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1ywu h ARG 99 CO 0.08 0.90 -0.53 -0.09 -1.51 0.00 0.00 179.97 178.83 1ywu h ARG 100 N 0.59 0.00 -0.70 0.20 2.43 -1.48 -1.37 114.38 114.05 1ywu h ARG 100 Ca 0.07 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 1ywu h ARG 100 Cb 0.79 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.31 1ywu h ARG 100 CO 0.07 0.53 0.17 1.25 -1.51 0.00 0.00 179.97 180.47 1ywu h LEU 101 N 0.00 1.05 -0.58 3.80 5.85 -0.84 -0.06 115.31 124.53 1ywu h LEU 101 Ca -0.01 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.42 1ywu h LEU 101 Cb 0.93 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1ywu h LEU 101 CO 0.07 1.01 0.11 0.58 -0.34 0.00 0.00 178.44 179.87 1ywu h VAL 102 N 1.05 1.25 -0.17 1.05 2.07 -1.00 -2.03 116.25 118.47 1ywu h VAL 102 Ca 0.22 -0.95 0.04 0.00 0.82 0.00 0.00 66.70 66.82 1ywu h VAL 102 Cb 0.36 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1ywu h VAL 102 CO 0.00 0.35 -0.07 -0.08 0.02 0.00 0.00 177.57 177.79 1ywu h GLU 103 N 0.86 -0.04 -0.05 1.57 4.57 -0.90 0.27 114.58 120.86 1ywu h GLU 103 Ca 0.18 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 1ywu h GLU 103 Cb 0.39 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1ywu h GLU 103 CO 0.01 -0.03 -0.01 -0.07 -1.18 0.00 0.00 179.01 177.73 1ywu h LEU 104 N -0.05 0.05 0.00 1.64 3.38 -0.77 -1.65 115.31 117.93 1ywu h LEU 104 Ca 0.09 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ywu h LEU 104 Cb 0.18 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1ywu h LEU 104 CO -0.21 0.08 -0.99 0.59 0.09 0.00 0.00 178.44 178.00 1ywu n ASN 105 N -4.49 0.66 -3.69 -0.43 3.02 -0.79 -4.96 115.26 104.58 1ywu n ASN 105 Ca -0.02 0.04 -0.27 0.00 -0.03 0.00 0.00 54.58 54.30 1ywu n ASN 105 Cb 0.12 0.63 0.05 0.00 -0.61 0.00 0.00 39.78 39.97 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 -2.22 -2.84 -1.52 3.41 4.32 0.91 -4.87 117.00 114.19 1ywu n LEU 106 Ca 0.01 -0.62 -0.08 0.00 -0.02 0.00 0.00 56.01 55.30 1ywu n LEU 106 Cb 0.48 -2.76 0.12 0.00 -1.62 0.00 0.00 43.42 39.65 1ywu n LEU 106 CO 0.40 0.51 0.82 0.61 -1.22 0.00 0.00 177.39 178.50 1ywu n GLY 107 N -1.78 3.02 0.95 -0.72 0.00 -1.07 -4.97 105.19 100.61 1ywu n GLY 107 Ca 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.17 -5.77 0.12 1.61 2.03 -1.26 -4.74 116.55 108.37 1ywu n ASP 108 Ca 0.26 0.69 0.12 0.00 0.52 0.00 0.00 54.79 56.38 1ywu n ASP 108 Cb 1.01 -2.12 0.08 0.00 -0.72 0.00 0.00 41.12 39.37 1ywu n ASP 108 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1ywu h GLU 109 N 1.48 0.00 0.00 -0.67 5.08 -1.94 -3.28 114.58 115.26 1ywu h GLU 109 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ywu h GLU 109 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ywu h GLU 109 CO 0.00 0.00 0.00 0.93 -1.00 0.00 0.00 179.01 178.94 1ywu h GLU 110 N 0.00 0.00 0.00 2.33 3.07 -1.92 -0.48 114.58 117.57 1ywu h GLU 110 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1ywu h GLU 110 Cb 0.95 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.85 1ywu h GLU 110 CO 0.00 0.00 -0.17 -0.07 -1.40 0.00 0.00 179.01 177.37 1ywu h LEU 111 N 0.00 0.00 -0.01 1.33 3.38 -1.85 -0.70 115.31 117.46 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 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1ywu h LEU 111 CO 0.00 0.17 -0.37 0.18 0.09 0.00 0.00 178.44 178.51 1ywu n LEU 112 N -3.44 0.38 -0.73 1.67 4.77 -0.22 -4.07 117.00 115.36 1ywu n LEU 112 Ca -0.01 0.12 0.06 0.00 -0.03 0.00 0.00 56.01 56.15 1ywu n LEU 112 Cb 0.35 -0.31 0.18 0.00 -2.33 0.00 0.00 43.42 41.31 1ywu n LEU 112 CO 0.31 0.09 0.32 1.21 -1.33 0.00 0.00 177.39 177.99 1ywu n GLU 113 N -1.49 1.36 0.00 3.23 4.07 -0.36 -0.73 120.64 126.71 1ywu n GLU 113 Ca 0.06 -3.12 0.00 0.00 -0.06 0.00 0.00 57.16 54.05 1ywu n GLU 113 Cb 0.34 -1.38 0.00 0.00 -0.06 0.00 0.00 31.44 30.33 1ywu n GLU 113 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1ywu n ARG 114 N -0.88 0.00 0.00 5.31 1.74 -0.63 -4.95 116.66 117.24 1ywu n ARG 114 Ca 0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 1ywu n ARG 114 Cb 0.76 -0.02 0.00 0.00 -1.02 0.00 0.00 32.46 32.18 1ywu n ARG 114 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1ywu n GLU 115 N 0.00 0.00 -0.34 5.56 0.00 -1.26 -4.92 120.64 119.69 1ywu n GLU 115 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.17 1ywu n GLU 115 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 31.44 31.62 1ywu n GLU 115 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1ywu h LEU 116 N 0.00 1.02 -0.05 4.31 5.85 -1.90 0.34 115.31 124.89 1ywu h LEU 116 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1ywu h LEU 116 Cb 0.00 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.80 1ywu h LEU 116 CO 0.00 0.69 0.00 0.00 -0.34 0.00 0.00 178.44 178.79 1ywu n ALA 117 N -2.39 1.99 0.80 1.25 0.00 -1.26 -2.42 120.51 118.48 1ywu n ALA 117 Ca 0.13 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.60 1ywu n ALA 117 Cb 0.11 -1.36 0.07 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.60 2.51 -4.48 0.00 4.77 0.10 -4.89 117.00 113.42 1ywu n LEU 118 Ca 0.05 -0.98 -0.43 0.00 -0.03 0.00 0.00 56.01 54.62 1ywu n LEU 118 Cb 0.26 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 1ywu n LEU 118 CO 0.21 0.44 0.59 -0.76 -1.33 0.00 0.00 177.39 176.54 1ywu s LEU 119 N -1.66 4.51 0.00 2.23 1.02 -0.16 -4.72 118.68 119.90 1ywu s LEU 119 Ca 0.22 -0.70 0.00 0.00 0.02 0.00 0.00 54.13 53.67 1ywu s LEU 119 Cb 0.16 -2.61 0.00 0.00 0.02 0.00 0.00 46.19 43.76 1ywu s LEU 119 CO 0.26 -1.14 0.00 0.52 0.02 0.00 0.00 176.35 176.01 1ywu n VAL 120 N 5.92 0.00 -1.93 -1.59 0.31 -1.26 -4.99 118.33 114.79 1ywu n VAL 120 Ca -0.03 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.02 1ywu n VAL 120 Cb 0.46 -1.23 0.11 0.00 -0.91 0.00 0.00 33.84 32.27 1ywu n VAL 120 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1ywu s SER 121 N -1.00 4.25 0.31 4.52 1.04 -1.26 -4.74 113.70 116.82 1ywu s SER 121 Ca 0.00 0.65 0.07 0.00 0.48 0.00 0.00 55.95 57.15 1ywu s SER 121 Cb 0.00 -1.07 0.77 0.00 0.10 0.00 0.00 66.02 65.83 1ywu s SER 121 CO 0.00 -2.05 1.76 0.00 0.98 0.00 0.00 173.24 173.93 1ywu h ALA 122 N -1.14 1.69 -2.98 5.32 0.00 -1.90 -3.37 119.26 116.88 1ywu h ALA 122 Ca -0.46 0.09 -0.64 0.00 0.00 0.00 0.00 54.91 53.90 1ywu h ALA 122 Cb 1.31 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 1ywu h ALA 122 CO 0.60 -0.11 -0.54 -3.38 0.00 0.00 0.00 179.25 175.82 1ywu s HIS 123 N -5.84 3.39 -0.29 0.00 -3.43 -1.26 -2.93 115.29 104.93 1ywu s HIS 123 Ca -0.11 0.25 -0.07 0.00 -0.80 0.00 0.00 55.06 54.33 1ywu s HIS 123 Cb 0.26 -1.76 0.00 0.00 -1.43 0.00 0.00 32.58 29.65 1ywu s HIS 123 CO 0.80 0.59 0.09 0.34 -2.00 0.00 0.00 174.74 174.56 1ywu s ASP 124 N -1.96 5.21 0.00 7.38 -1.08 -1.26 -5.03 116.67 119.93 1ywu s ASP 124 Ca 0.26 -0.63 0.16 0.00 -0.52 0.00 0.00 52.55 51.82 1ywu s ASP 124 Cb -0.12 -1.91 0.13 0.00 -1.46 0.00 0.00 42.92 39.55 1ywu s ASP 124 CO 0.18 -0.18 1.00 -0.67 0.52 0.00 0.00 175.17 176.02