#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 2.71 -1.43 6.12 0.15 -1.26 -5.04 113.70 114.95 1ywu s SER 2 Ca 0.00 -2.49 -0.10 0.00 0.70 0.00 0.00 55.95 54.05 1ywu s SER 2 Cb 0.00 -0.51 -0.07 0.00 -1.71 0.00 0.00 66.02 63.73 1ywu s SER 2 CO 0.00 -0.27 2.65 0.47 1.20 0.00 0.00 173.24 177.30 1ywu n ASP 3 N 3.64 7.06 0.00 5.45 9.92 -1.26 -4.25 116.55 137.11 1ywu n ASP 3 Ca 0.16 -2.57 0.00 0.00 -0.53 0.00 0.00 54.79 51.85 1ywu n ASP 3 Cb 0.39 -1.47 0.00 0.00 -0.64 0.00 0.00 41.12 39.40 1ywu n ASP 3 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ywu n GLN 4 N 4.22 0.00 0.13 -1.24 6.02 -1.26 -5.11 117.38 120.14 1ywu n GLN 4 Ca 0.67 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.66 1ywu n GLN 4 Cb 0.24 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.50 1ywu n GLN 4 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1ywu n HIS 5 N 0.00 -3.08 -3.95 1.08 8.25 -1.26 -5.06 115.22 111.20 1ywu n HIS 5 Ca 0.00 0.77 -0.25 0.00 -0.26 0.00 0.00 57.72 57.98 1ywu n HIS 5 Cb 0.00 1.95 -0.02 0.00 1.12 0.00 0.00 29.99 33.04 1ywu n HIS 5 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1ywu n ASP 6 N -3.13 -0.42 -4.67 0.41 4.64 -1.26 -4.87 116.55 107.24 1ywu n ASP 6 Ca 0.00 -1.00 -0.42 0.00 -1.38 0.00 0.00 54.79 51.99 1ywu n ASP 6 Cb 0.00 -3.09 -0.03 0.00 -1.04 0.00 0.00 41.12 36.97 1ywu n ASP 6 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1ywu s GLU 7 N -6.54 4.23 -0.49 -0.67 0.41 -1.26 -4.90 118.70 109.48 1ywu s GLU 7 Ca 0.02 1.91 0.03 0.00 -0.41 0.00 0.00 54.97 56.52 1ywu s GLU 7 Cb -0.01 -3.79 0.45 0.00 -1.78 0.00 0.00 34.13 29.00 1ywu s GLU 7 CO 0.89 -0.71 1.57 0.54 -0.49 0.00 0.00 175.26 177.05 1ywu n ARG 8 N 6.44 3.18 0.00 1.61 1.74 -1.26 -4.97 116.66 123.40 1ywu n ARG 8 Ca 0.15 -3.81 0.00 0.00 -0.77 0.00 0.00 57.85 53.42 1ywu n ARG 8 Cb 0.44 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.60 1ywu n ARG 8 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ywu n ARG 9 N -0.76 0.00 0.00 5.56 1.74 -1.26 -3.51 116.66 118.43 1ywu n ARG 9 Ca 0.52 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 1ywu n ARG 9 Cb 0.77 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.21 1ywu n ARG 9 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1ywu n ARG 10 N 0.00 0.00 0.00 5.56 3.00 -1.26 -4.95 116.66 119.00 1ywu n ARG 10 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1ywu n ARG 10 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1ywu n ARG 10 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1ywu n PHE 11 N 0.00 0.00 0.00 -0.14 7.35 -1.26 -4.50 117.46 118.91 1ywu n PHE 11 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1ywu n PHE 11 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1ywu n PHE 11 CO 0.00 0.00 0.00 1.58 -0.76 0.00 0.00 176.76 177.58 1ywu n HIS 12 N 0.00 0.00 -4.22 -5.13 -0.00 -1.23 -4.93 115.22 99.72 1ywu n HIS 12 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.53 1ywu n HIS 12 Cb 0.00 -0.08 -0.12 0.00 -0.00 0.00 0.00 29.99 29.80 1ywu n HIS 12 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1ywu s ARG 13 N 0.00 0.95 -0.68 1.57 1.81 -1.26 -5.06 118.95 116.28 1ywu s ARG 13 Ca 0.00 -1.11 -0.09 0.00 -1.72 0.00 0.00 55.73 52.81 1ywu s ARG 13 Cb 0.00 -0.93 0.18 0.00 -0.45 0.00 0.00 34.95 33.75 1ywu s ARG 13 CO 0.00 0.19 0.56 0.96 -0.68 0.00 0.00 175.30 176.34 1ywu s ILE 14 N -1.67 4.60 -0.53 1.52 -4.36 -1.26 -4.98 121.20 114.52 1ywu s ILE 14 Ca 0.04 -2.55 0.04 0.00 -0.26 0.00 0.00 60.65 57.91 1ywu s ILE 14 Cb -0.08 -3.93 0.15 0.00 1.25 0.00 0.00 42.46 39.86 1ywu s ILE 14 CO 0.03 -0.93 0.35 0.00 0.24 0.00 0.00 174.94 174.63 1ywu s ALA 15 N 0.28 2.63 0.31 2.27 0.00 -1.26 -3.67 121.76 122.31 1ywu s ALA 15 Ca 0.15 -3.03 -0.27 0.00 0.00 0.00 0.00 51.96 48.81 1ywu s ALA 15 Cb -0.17 -1.93 -0.09 0.00 0.00 0.00 0.00 23.12 20.92 1ywu s ALA 15 CO -0.05 -2.05 1.02 -0.59 0.00 0.00 0.00 175.76 174.09 1ywu s PHE 16 N -0.37 3.61 -0.90 0.00 -0.12 -1.26 -4.93 117.98 114.01 1ywu s PHE 16 Ca 0.23 1.75 -0.25 0.00 -0.05 0.00 0.00 56.93 58.62 1ywu s PHE 16 Cb -0.11 -3.10 -0.05 0.00 -0.63 0.00 0.00 43.02 39.13 1ywu s PHE 16 CO -0.10 -0.19 1.95 -0.51 -0.05 0.00 0.00 175.22 176.32 1ywu s ASP 17 N -1.28 5.14 -0.14 1.98 1.01 -1.26 -4.87 116.67 117.25 1ywu s ASP 17 Ca 0.48 -0.65 -0.01 0.00 0.71 0.00 0.00 52.55 53.08 1ywu s ASP 17 Cb -0.25 -2.56 0.04 0.00 1.01 0.00 0.00 42.92 41.16 1ywu s ASP 17 CO 0.32 -2.74 -0.02 0.00 0.21 0.00 0.00 175.17 172.94 1ywu s ALA 18 N 10.07 1.16 -0.03 5.23 0.00 -1.26 -4.97 121.76 131.96 1ywu s ALA 18 Ca 0.70 -0.58 -0.33 0.00 0.00 0.00 0.00 51.96 51.75 1ywu s ALA 18 Cb -0.07 -1.01 -0.11 0.00 0.00 0.00 0.00 23.12 21.93 1ywu s ALA 18 CO -0.00 -0.73 1.90 -0.25 0.00 0.00 0.00 175.76 176.67 1ywu n ASP 19 N 4.99 3.70 -4.32 0.00 8.00 -1.26 -4.65 116.55 123.02 1ywu n ASP 19 Ca -0.10 0.95 -0.39 0.00 0.71 0.00 0.00 54.79 55.96 1ywu n ASP 19 Cb 0.48 -1.43 -0.12 0.00 -0.02 0.00 0.00 41.12 40.03 1ywu n ASP 19 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1ywu s SER 20 N 4.00 5.51 -0.27 -2.24 0.15 -1.18 -2.74 113.70 116.93 1ywu s SER 20 Ca 0.90 -1.07 -0.14 0.00 0.70 0.00 0.00 55.95 56.34 1ywu s SER 20 Cb -0.60 -1.94 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1ywu s SER 20 CO 0.47 -0.35 0.32 -1.61 1.20 0.00 0.00 173.24 173.27 1ywu s GLU 21 N 1.47 4.01 -0.37 5.44 2.02 -0.86 -0.39 118.70 130.03 1ywu s GLU 21 Ca 0.00 -0.05 -0.16 0.00 0.02 0.00 0.00 54.97 54.78 1ywu s GLU 21 Cb -0.19 -3.65 -0.00 0.00 0.10 0.00 0.00 34.13 30.39 1ywu s GLU 21 CO 0.05 -0.24 0.40 0.42 0.02 0.00 0.00 175.26 175.91 1ywu s ILE 22 N 1.94 5.13 -0.13 -1.63 1.01 0.50 -1.14 121.20 126.88 1ywu s ILE 22 Ca 0.13 -0.03 -0.09 0.00 0.00 0.00 0.00 60.65 60.66 1ywu s ILE 22 Cb -0.16 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1ywu s ILE 22 CO 0.10 -0.20 0.17 -0.76 0.00 0.00 0.00 174.94 174.25 1ywu s LEU 23 N 2.10 4.36 -0.45 2.97 1.43 0.53 -0.92 118.68 128.69 1ywu s LEU 23 Ca 0.13 0.47 0.04 0.00 -1.03 0.00 0.00 54.13 53.73 1ywu s LEU 23 Cb -0.17 -2.14 0.48 0.00 0.03 0.00 0.00 46.19 44.40 1ywu s LEU 23 CO 0.12 0.34 1.62 1.67 0.23 0.00 0.00 176.35 180.34 1ywu n GLN 24 N 2.33 2.82 0.00 1.70 7.27 -0.15 -1.01 117.38 130.35 1ywu n GLN 24 Ca -0.18 -3.57 0.00 0.00 0.07 0.00 0.00 57.00 53.32 1ywu n GLN 24 Cb 0.54 -2.19 0.00 0.00 2.41 0.00 0.00 30.24 31.00 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 -0.90 1.79 0.12 1.69 0.00 -1.26 -4.07 105.19 102.56 1ywu n GLY 25 Ca 0.50 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 46.28 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 0.67 -3.20 1.61 0.28 -1.26 -4.98 120.64 113.76 1ywu n GLU 26 Ca 0.00 0.11 -0.39 0.00 -0.16 0.00 0.00 57.16 56.72 1ywu n GLU 26 Cb 0.00 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.31 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 -2.49 4.29 -0.24 3.44 0.52 -1.26 -5.05 118.95 118.16 1ywu s ARG 27 Ca -0.28 0.83 0.02 0.00 -0.52 0.00 0.00 55.73 55.78 1ywu s ARG 27 Cb 0.08 -3.25 0.06 0.00 0.52 0.00 0.00 34.95 32.35 1ywu s ARG 27 CO 0.63 0.60 -0.10 1.03 0.02 0.00 0.00 175.30 177.47 1ywu s ARG 28 N -1.01 2.14 -0.39 3.54 0.52 -1.26 -0.97 118.95 121.51 1ywu s ARG 28 Ca 0.31 -1.18 -0.05 0.00 -0.52 0.00 0.00 55.73 54.28 1ywu s ARG 28 Cb -0.20 -2.75 0.09 0.00 0.52 0.00 0.00 34.95 32.60 1ywu s ARG 28 CO 0.20 -0.53 0.19 -1.58 0.02 0.00 0.00 175.30 173.60 1ywu s TRP 29 N 1.21 3.44 -0.50 -0.53 0.51 -0.10 -4.94 118.94 118.03 1ywu s TRP 29 Ca -0.07 -2.00 -0.29 0.00 -2.12 0.00 0.00 56.10 51.63 1ywu s TRP 29 Cb -0.19 -2.94 0.03 0.00 -0.81 0.00 0.00 33.47 29.56 1ywu s TRP 29 CO -0.06 -0.90 1.20 -2.00 -0.51 0.00 0.00 176.95 174.68 1ywu s GLU 30 N 1.27 3.63 0.23 4.98 2.12 -1.26 -0.37 118.70 129.30 1ywu s GLU 30 Ca 0.04 0.53 0.10 0.00 0.36 0.00 0.00 54.97 56.00 1ywu s GLU 30 Cb -0.22 -3.96 -0.05 0.00 0.26 0.00 0.00 34.13 30.16 1ywu s GLU 30 CO -0.01 -1.51 -0.18 0.54 -0.54 0.00 0.00 175.26 173.56 1ywu s VAL 31 N 4.79 2.09 0.12 3.70 0.11 0.48 -4.99 120.40 126.70 1ywu s VAL 31 Ca 0.49 -2.27 -0.20 0.00 -2.93 0.00 0.00 61.98 57.08 1ywu s VAL 31 Cb -0.08 -2.14 -0.07 0.00 -1.53 0.00 0.00 36.38 32.56 1ywu s VAL 31 CO 0.30 -0.47 0.62 -0.76 -3.33 0.00 0.00 175.10 171.47 1ywu s LEU 32 N -3.32 4.49 -0.01 2.54 1.02 -1.26 -3.09 118.68 119.05 1ywu s LEU 32 Ca 0.25 1.32 -0.26 0.00 0.02 0.00 0.00 54.13 55.46 1ywu s LEU 32 Cb -0.03 -3.10 -0.04 0.00 0.02 0.00 0.00 46.19 43.03 1ywu s LEU 32 CO 0.10 0.21 0.82 -0.22 0.02 0.00 0.00 176.35 177.28 1ywu s LEU 33 N -1.34 4.38 -0.22 1.79 0.20 -1.26 -3.28 118.68 118.94 1ywu s LEU 33 Ca 0.33 1.43 -0.03 0.00 0.69 0.00 0.00 54.13 56.56 1ywu s LEU 33 Cb -0.19 -3.30 -0.12 0.00 -0.43 0.00 0.00 46.19 42.15 1ywu s LEU 33 CO 0.20 -0.12 -0.22 1.41 -0.29 0.00 0.00 176.35 177.33 1ywu n HIS 34 N 3.50 0.00 -3.63 5.38 8.25 -0.51 -4.84 115.22 123.36 1ywu n HIS 34 Ca 0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.35 1ywu n HIS 34 Cb 0.51 -0.81 -0.07 0.00 1.12 0.00 0.00 29.99 30.73 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 -6.39 -0.80 0.07 0.41 3.68 -1.13 -4.44 116.67 108.08 1ywu s ASP 35 Ca -0.30 1.46 0.06 0.00 2.13 0.00 0.00 52.55 55.91 1ywu s ASP 35 Cb 0.09 1.44 -0.03 0.00 -1.45 0.00 0.00 42.92 42.97 1ywu s ASP 35 CO 0.46 -0.25 -0.16 0.54 0.13 0.00 0.00 175.17 175.89 1ywu s VAL 36 N 0.73 1.27 0.00 1.11 0.11 -1.24 -0.94 120.40 121.45 1ywu s VAL 36 Ca -0.03 -1.33 0.00 0.00 -2.93 0.00 0.00 61.98 57.69 1ywu s VAL 36 Cb -0.05 -1.19 0.00 0.00 -1.53 0.00 0.00 36.38 33.61 1ywu s VAL 36 CO -0.05 -0.15 0.00 -1.54 -3.33 0.00 0.00 175.10 170.03 1ywu n SER 37 N 1.31 0.00 0.06 3.54 3.41 -0.63 -4.86 113.62 116.44 1ywu n SER 37 Ca -0.20 -0.80 0.12 0.00 -0.26 0.00 0.00 58.87 57.72 1ywu n SER 37 Cb 0.54 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.60 1ywu n SER 37 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ywu h LEU 38 N 0.00 0.00 -2.18 1.04 3.38 -1.90 -3.29 115.31 112.36 1ywu h LEU 38 Ca 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1ywu h LEU 38 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ywu h LEU 38 CO 0.00 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.64 1ywu n HIS 39 N -2.15 0.53 0.00 1.13 1.44 -1.26 -4.73 115.22 110.18 1ywu n HIS 39 Ca 0.03 -0.27 0.00 0.00 -2.01 0.00 0.00 57.72 55.47 1ywu n HIS 39 Cb 0.45 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.56 1ywu n HIS 39 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ywu n GLY 40 N 1.47 0.90 3.51 -1.39 0.00 -1.24 -3.32 105.19 105.12 1ywu n GLY 40 Ca 0.19 -1.95 -0.18 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.49 0.00 -0.12 -0.61 2.07 -0.82 -1.61 121.20 117.62 1ywu s ILE 41 Ca 0.00 -0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.22 1ywu s ILE 41 Cb 0.00 -0.97 -0.01 0.00 0.13 0.00 0.00 42.46 41.61 1ywu s ILE 41 CO 0.00 -0.02 -0.17 -0.22 -1.91 0.00 0.00 174.94 172.62 1ywu s LEU 42 N -1.13 2.47 0.34 8.50 2.96 -0.11 -1.47 118.68 130.24 1ywu s LEU 42 Ca -0.11 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.42 1ywu s LEU 42 Cb -0.01 -1.53 -0.06 0.00 0.50 0.00 0.00 46.19 45.09 1ywu s LEU 42 CO 0.09 0.16 0.06 0.68 -1.32 0.00 0.00 176.35 176.01 1ywu s VAL 43 N 0.39 1.25 -0.31 1.68 -7.23 -0.88 -1.43 120.40 113.87 1ywu s VAL 43 Ca -0.13 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.03 1ywu s VAL 43 Cb -0.17 -2.78 0.10 0.00 0.56 0.00 0.00 36.38 34.09 1ywu s VAL 43 CO 0.06 0.00 0.10 -0.83 -0.31 0.00 0.00 175.10 174.12 1ywu s GLY 44 N -3.53 1.05 0.10 2.32 0.00 -1.21 -1.23 107.32 104.83 1ywu s GLY 44 Ca 0.35 -1.65 -0.06 0.00 0.00 0.00 0.00 44.72 43.36 1ywu s GLY 44 CO 0.16 1.63 0.36 1.20 0.00 0.00 0.00 173.10 176.44 1ywu s GLN 45 N 1.63 3.64 0.00 2.90 -0.21 0.06 -4.41 119.66 123.27 1ywu s GLN 45 Ca 0.10 -0.03 0.00 0.00 0.02 0.00 0.00 55.36 55.45 1ywu s GLN 45 Cb -0.17 -2.94 0.00 0.00 1.00 0.00 0.00 33.01 30.90 1ywu s GLN 45 CO -0.26 0.53 0.56 -2.30 -2.12 0.00 0.00 175.29 171.71 1ywu n PRO 46 N 0.52 0.00 0.00 2.91 -0.02 -1.26 -4.42 135.00 132.73 1ywu n PRO 46 Ca -0.06 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1ywu n PRO 46 Cb 0.52 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.92 1ywu n PRO 46 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1ywu n GLN 47 N -0.95 0.00 -2.10 -0.52 6.02 -1.26 -4.75 117.38 113.83 1ywu n GLN 47 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1ywu n GLN 47 Cb 0.00 -0.45 -0.03 0.00 1.02 0.00 0.00 30.24 30.78 1ywu n GLN 47 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1ywu s ASP 48 N -3.05 5.89 -0.28 1.08 2.15 -1.26 -4.91 116.67 116.29 1ywu s ASP 48 Ca 0.00 1.00 -0.23 0.00 0.43 0.00 0.00 52.55 53.75 1ywu s ASP 48 Cb 0.00 -2.53 0.12 0.00 -0.30 0.00 0.00 42.92 40.21 1ywu s ASP 48 CO 0.00 -1.77 0.99 0.86 -0.17 0.00 0.00 175.17 175.09 1ywu s TRP 49 N 6.92 -0.53 0.00 -5.34 -0.11 -1.26 -5.06 118.94 113.57 1ywu s TRP 49 Ca 0.73 1.23 0.00 0.00 1.22 0.00 0.00 56.10 59.27 1ywu s TRP 49 Cb -0.18 0.37 0.00 0.00 -1.50 0.00 0.00 33.47 32.15 1ywu s TRP 49 CO 0.31 -0.26 0.00 0.09 -4.62 0.00 0.00 176.95 172.47 1ywu n ASN 50 N 2.58 0.00 0.00 5.86 3.02 -1.26 -5.06 115.26 120.40 1ywu n ASN 50 Ca -0.14 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1ywu n ASN 50 Cb 0.56 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 1ywu n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ywu n GLY 51 N 2.49 0.98 3.37 7.41 0.00 -1.26 -5.10 105.19 113.08 1ywu n GLY 51 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1ywu n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ywu s ASP 52 N -0.60 6.03 0.00 1.61 1.11 -1.26 -4.93 116.67 118.63 1ywu s ASP 52 Ca 0.00 -1.30 0.00 0.00 0.18 0.00 0.00 52.55 51.43 1ywu s ASP 52 Cb 0.00 -2.14 0.00 0.00 1.07 0.00 0.00 42.92 41.85 1ywu s ASP 52 CO 0.00 -0.59 0.52 -0.81 1.18 0.00 0.00 175.17 175.47 1ywu n PRO 53 N 5.13 0.81 -0.08 8.23 -0.04 -1.26 -1.72 135.00 146.07 1ywu n PRO 53 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1ywu n PRO 53 Cb 0.44 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1ywu n PRO 53 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1ywu n GLN 54 N 0.23 0.31 -3.84 0.54 6.02 -1.26 -4.57 117.38 114.82 1ywu n GLN 54 Ca 0.00 -0.72 -0.36 0.00 -0.01 0.00 0.00 57.00 55.91 1ywu n GLN 54 Cb 0.26 -0.57 -0.13 0.00 1.02 0.00 0.00 30.24 30.82 1ywu n GLN 54 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1ywu s ARG 55 N -0.16 2.85 -0.26 -1.09 3.52 -0.70 -5.05 118.95 118.07 1ywu s ARG 55 Ca 0.01 -1.00 -0.34 0.00 -0.13 0.00 0.00 55.73 54.27 1ywu s ARG 55 Cb 0.01 -3.24 -0.10 0.00 -1.56 0.00 0.00 34.95 30.05 1ywu s ARG 55 CO 0.00 -0.49 2.10 -2.30 -0.81 0.00 0.00 175.30 173.80 1ywu n PRO 56 N 4.76 1.53 -4.27 5.12 -0.02 -1.26 -4.34 135.00 136.52 1ywu n PRO 56 Ca -0.15 0.47 -0.35 0.00 -2.02 0.00 0.00 63.50 61.46 1ywu n PRO 56 Cb 0.46 -2.66 -0.10 0.00 -0.02 0.00 0.00 33.50 31.19 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 6.58 3.16 -0.30 6.00 2.99 -0.16 -4.76 117.98 131.49 1ywu s PHE 57 Ca 1.03 0.04 -0.07 0.00 0.00 0.00 0.00 56.93 57.93 1ywu s PHE 57 Cb -0.72 -1.91 0.01 0.00 0.00 0.00 0.00 43.02 40.40 1ywu s PHE 57 CO 0.48 0.26 0.09 -1.21 -0.00 0.00 0.00 175.22 174.84 1ywu s GLU 58 N -0.23 3.04 -0.25 0.44 2.02 -0.18 -0.36 118.70 123.17 1ywu s GLU 58 Ca 0.06 -0.90 -0.14 0.00 0.02 0.00 0.00 54.97 54.02 1ywu s GLU 58 Cb -0.12 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.66 1ywu s GLU 58 CO 0.02 -0.48 0.31 0.00 0.02 0.00 0.00 175.26 175.14 1ywu s ALA 59 N 1.49 3.57 -0.29 5.21 0.00 0.13 -0.35 121.76 131.52 1ywu s ALA 59 Ca 0.02 -0.81 -0.05 0.00 0.00 0.00 0.00 51.96 51.12 1ywu s ALA 59 Cb -0.17 -2.59 0.02 0.00 0.00 0.00 0.00 23.12 20.38 1ywu s ALA 59 CO 0.03 -0.49 0.03 1.03 0.00 0.00 0.00 175.76 176.36 1ywu s ARG 60 N 1.69 2.84 -0.36 0.00 0.52 -0.30 -1.38 118.95 121.97 1ywu s ARG 60 Ca 0.13 -1.01 -0.14 0.00 -0.52 0.00 0.00 55.73 54.20 1ywu s ARG 60 Cb -0.15 -3.25 -0.01 0.00 0.52 0.00 0.00 34.95 32.06 1ywu s ARG 60 CO 0.09 -0.49 0.26 -0.51 0.02 0.00 0.00 175.30 174.67 1ywu s LEU 61 N 1.40 4.66 -0.53 2.53 1.43 0.50 -2.03 118.68 126.64 1ywu s LEU 61 Ca 0.00 -0.53 -0.19 0.00 -1.03 0.00 0.00 54.13 52.38 1ywu s LEU 61 Cb -0.18 -2.16 0.07 0.00 0.03 0.00 0.00 46.19 43.96 1ywu s LEU 61 CO 0.00 -0.30 0.65 -0.31 0.23 0.00 0.00 176.35 176.63 1ywu s TYR 62 N 1.73 3.03 -2.08 0.29 2.02 -1.11 -1.74 117.35 119.49 1ywu s TYR 62 Ca 0.06 -0.67 0.24 0.00 -0.37 0.00 0.00 57.07 56.33 1ywu s TYR 62 Cb -0.18 -3.69 0.25 0.00 -0.40 0.00 0.00 41.96 37.94 1ywu s TYR 62 CO 0.10 -1.12 1.25 1.28 -1.57 0.00 0.00 175.55 175.50 1ywu n LEU 63 N 6.24 1.85 0.00 -1.29 7.99 -1.11 -4.11 117.00 126.57 1ywu n LEU 63 Ca -0.07 -0.65 0.00 0.00 -0.01 0.00 0.00 56.01 55.28 1ywu n LEU 63 Cb 0.44 -0.03 0.00 0.00 -0.11 0.00 0.00 43.42 43.72 1ywu n LEU 63 CO 0.55 0.34 0.00 0.61 -1.51 0.00 0.00 177.39 177.38 1ywu n GLY 64 N 1.38 -0.57 0.08 -0.72 0.00 -1.13 -4.87 105.19 99.36 1ywu n GLY 64 Ca 0.11 -0.65 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 1ywu n GLY 64 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ywu n LEU 65 N 0.00 0.00 0.06 0.99 7.94 -1.26 -4.28 117.00 120.44 1ywu n LEU 65 Ca 0.00 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.01 1ywu n LEU 65 Cb 0.00 0.38 0.01 0.00 0.53 0.00 0.00 43.42 44.34 1ywu n LEU 65 CO 0.00 0.38 -0.04 0.47 -1.11 0.00 0.00 177.39 177.09 1ywu n ASP 66 N -2.60 0.64 -4.23 1.96 8.00 -1.26 -4.69 116.55 114.37 1ywu n ASP 66 Ca -0.25 0.08 -0.42 0.00 0.71 0.00 0.00 54.79 54.90 1ywu n ASP 66 Cb 1.00 0.72 -0.08 0.00 -0.02 0.00 0.00 41.12 42.75 1ywu n ASP 66 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ywu s VAL 67 N -3.30 4.44 -0.32 2.53 1.01 -1.26 -5.02 120.40 118.47 1ywu s VAL 67 Ca 0.01 -1.74 0.02 0.00 0.00 0.00 0.00 61.98 60.26 1ywu s VAL 67 Cb 0.12 -3.90 0.10 0.00 0.00 0.00 0.00 36.38 32.69 1ywu s VAL 67 CO 0.80 -0.80 0.06 -0.22 0.00 0.00 0.00 175.10 174.94 1ywu s LEU 68 N 1.39 3.52 -0.65 3.92 2.96 -1.26 -2.74 118.68 125.81 1ywu s LEU 68 Ca 0.05 -1.87 -0.25 0.00 -0.22 0.00 0.00 54.13 51.85 1ywu s LEU 68 Cb -0.27 -1.27 0.05 0.00 0.50 0.00 0.00 46.19 45.20 1ywu s LEU 68 CO -0.00 -0.39 1.07 -0.63 -1.32 0.00 0.00 176.35 175.09 1ywu s ILE 69 N 1.25 4.13 -0.23 6.68 1.09 -0.71 -4.84 121.20 128.57 1ywu s ILE 69 Ca 0.09 0.11 -0.05 0.00 -1.10 0.00 0.00 60.65 59.70 1ywu s ILE 69 Cb -0.18 -4.73 -0.02 0.00 -1.06 0.00 0.00 42.46 36.48 1ywu s ILE 69 CO -0.15 -1.49 0.00 0.00 -0.10 0.00 0.00 174.94 173.20 1ywu s ARG 70 N 4.61 3.47 -0.07 2.79 1.70 -1.26 -0.37 118.95 129.82 1ywu s ARG 70 Ca 0.29 -0.58 0.03 0.00 -0.47 0.00 0.00 55.73 55.01 1ywu s ARG 70 Cb -0.13 -3.14 0.01 0.00 -0.57 0.00 0.00 34.95 31.12 1ywu s ARG 70 CO 0.15 -0.20 -0.17 0.00 -1.08 0.00 0.00 175.30 174.00 1ywu s MET 71 N 1.53 2.09 -0.50 3.89 0.23 -0.48 -3.94 119.30 122.12 1ywu s MET 71 Ca 0.06 -0.59 -0.17 0.00 -1.03 0.00 0.00 55.69 53.96 1ywu s MET 71 Cb -0.15 -1.69 0.08 0.00 -1.53 0.00 0.00 34.83 31.55 1ywu s MET 71 CO -0.01 0.12 0.50 -2.00 -2.03 0.00 0.00 175.02 171.61 1ywu s GLU 72 N 0.42 3.03 0.41 3.16 2.12 -0.52 -0.69 118.70 126.62 1ywu s GLU 72 Ca -0.13 -1.25 0.07 0.00 0.36 0.00 0.00 54.97 54.02 1ywu s GLU 72 Cb -0.15 -4.15 -0.04 0.00 0.26 0.00 0.00 34.13 30.05 1ywu s GLU 72 CO 0.05 -1.16 0.28 0.96 -0.54 0.00 0.00 175.26 174.84 1ywu s ILE 73 N 2.02 2.49 -0.04 -3.70 -4.36 0.51 0.01 121.20 118.12 1ywu s ILE 73 Ca 0.08 -1.52 0.07 0.00 -0.26 0.00 0.00 60.65 59.02 1ywu s ILE 73 Cb -0.23 -3.00 -0.01 0.00 1.25 0.00 0.00 42.46 40.46 1ywu s ILE 73 CO 0.08 -0.00 -0.25 -0.55 0.24 0.00 0.00 174.94 174.45 1ywu s SER 74 N -4.02 3.06 -0.03 4.36 0.15 0.07 -0.98 113.70 116.31 1ywu s SER 74 Ca 0.45 -0.50 -0.30 0.00 0.70 0.00 0.00 55.95 56.30 1ywu s SER 74 Cb 0.00 -0.67 -0.06 0.00 -1.71 0.00 0.00 66.02 63.59 1ywu s SER 74 CO 0.25 0.27 1.54 -0.22 1.20 0.00 0.00 173.24 176.28 1ywu s LEU 75 N -0.31 4.31 -0.19 3.45 2.96 -1.26 -0.41 118.68 127.23 1ywu s LEU 75 Ca 0.01 2.18 -0.15 0.00 -0.22 0.00 0.00 54.13 55.95 1ywu s LEU 75 Cb -0.12 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.93 1ywu s LEU 75 CO 0.02 -0.84 -0.19 0.00 -1.32 0.00 0.00 176.35 174.03 1ywu n ALA 76 N 6.30 0.77 -3.08 5.97 0.00 0.12 -4.45 120.51 126.14 1ywu n ALA 76 Ca 0.15 -0.67 -0.11 0.00 0.00 0.00 0.00 53.44 52.81 1ywu n ALA 76 Cb 0.43 -0.07 -0.11 0.00 0.00 0.00 0.00 19.45 19.70 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 -2.51 0.01 -0.09 0.00 1.48 -1.01 -4.98 118.94 111.84 1ywu s TRP 77 Ca -0.26 -0.03 0.00 0.00 -1.06 0.00 0.00 56.10 54.75 1ywu s TRP 77 Cb 0.06 -0.03 0.02 0.00 -1.16 0.00 0.00 33.47 32.36 1ywu s TRP 77 CO 0.40 -0.23 -0.08 0.00 -4.06 0.00 0.00 176.95 172.99 1ywu s ALA 78 N -1.03 1.20 -0.28 2.67 0.00 -1.26 -0.87 121.76 122.19 1ywu s ALA 78 Ca -0.11 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.40 1ywu s ALA 78 Cb -0.06 -0.78 0.09 0.00 0.00 0.00 0.00 23.12 22.36 1ywu s ALA 78 CO 0.01 -0.28 0.07 0.50 0.00 0.00 0.00 175.76 176.07 1ywu s ARG 79 N 1.45 0.77 0.89 0.00 3.52 -0.29 -5.00 118.95 120.29 1ywu s ARG 79 Ca -0.00 -0.92 0.00 0.00 -0.13 0.00 0.00 55.73 54.68 1ywu s ARG 79 Cb -0.13 -2.06 0.00 0.00 -1.56 0.00 0.00 34.95 31.20 1ywu s ARG 79 CO -0.05 -0.88 0.00 -3.47 -0.81 0.00 0.00 175.30 170.09 1ywu n ASP 80 N 4.88 0.00 0.00 -2.12 -0.08 -1.26 -1.09 116.55 116.87 1ywu n ASP 80 Ca -0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 1ywu n ASP 80 Cb 0.43 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.89 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 0.97 3.61 0.27 0.00 -1.26 -4.93 105.19 103.84 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 -1.17 4.06 -0.26 0.99 1.43 -0.25 -0.76 118.68 122.71 1ywu s LEU 82 Ca 0.00 0.66 -0.03 0.00 -1.03 0.00 0.00 54.13 53.74 1ywu s LEU 82 Cb 0.00 -3.17 0.02 0.00 0.03 0.00 0.00 46.19 43.07 1ywu s LEU 82 CO 0.00 -0.71 -0.02 -0.76 0.23 0.00 0.00 176.35 175.09 1ywu s LEU 83 N 3.16 3.40 -0.27 1.79 1.43 -0.36 -1.14 118.68 126.70 1ywu s LEU 83 Ca 0.35 -0.87 -0.11 0.00 -1.03 0.00 0.00 54.13 52.48 1ywu s LEU 83 Cb -0.13 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 1ywu s LEU 83 CO 0.14 -0.15 0.17 -0.83 0.23 0.00 0.00 176.35 175.91 1ywu s GLY 84 N 1.36 1.93 0.08 -3.19 0.00 -0.05 -2.08 107.32 105.37 1ywu s GLY 84 Ca 0.00 -1.04 0.07 0.00 0.00 0.00 0.00 44.72 43.75 1ywu s GLY 84 CO -0.03 0.57 -0.12 -1.36 0.00 0.00 0.00 173.10 172.16 1ywu s PHE 85 N 1.56 2.70 0.09 1.90 0.40 -0.54 -0.71 117.98 123.38 1ywu s PHE 85 Ca 0.07 -0.17 0.05 0.00 -0.60 0.00 0.00 56.93 56.27 1ywu s PHE 85 Cb -0.15 -1.44 -0.04 0.00 0.51 0.00 0.00 43.02 41.89 1ywu s PHE 85 CO 0.09 0.39 -0.00 -1.21 0.70 0.00 0.00 175.22 175.18 1ywu s GLU 86 N -1.99 2.53 -0.17 0.44 2.02 0.46 -1.95 118.70 120.05 1ywu s GLU 86 Ca 0.19 -0.85 -0.29 0.00 0.02 0.00 0.00 54.97 54.04 1ywu s GLU 86 Cb -0.11 -2.53 -0.02 0.00 0.10 0.00 0.00 34.13 31.57 1ywu s GLU 86 CO 0.11 0.54 1.34 0.00 0.02 0.00 0.00 175.26 177.27 1ywu n GLN 88 N 6.81 0.25 -3.90 0.00 -0.06 -1.15 -4.88 117.38 114.46 1ywu n GLN 88 Ca 0.15 0.10 -0.33 0.00 -2.00 0.00 0.00 57.00 54.91 1ywu n GLN 88 Cb 0.45 -0.90 -0.13 0.00 -4.06 0.00 0.00 30.24 25.60 1ywu n GLN 88 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 1ywu s HIS 89 N -2.12 3.66 -0.22 3.69 2.46 0.10 -5.03 115.29 117.83 1ywu s HIS 89 Ca -0.14 -2.74 -0.14 0.00 0.47 0.00 0.00 55.06 52.51 1ywu s HIS 89 Cb 0.02 -3.07 -0.04 0.00 -0.13 0.00 0.00 32.58 29.36 1ywu s HIS 89 CO 0.21 -0.95 0.30 0.42 -2.47 0.00 0.00 174.74 172.25 1ywu s ILE 90 N 0.93 5.26 0.41 0.89 1.01 -1.26 -1.44 121.20 127.00 1ywu s ILE 90 Ca 0.10 0.49 -0.25 0.00 0.00 0.00 0.00 60.65 60.99 1ywu s ILE 90 Cb -0.21 -3.63 -0.08 0.00 0.01 0.00 0.00 42.46 38.54 1ywu s ILE 90 CO -0.06 0.28 1.20 -0.62 0.00 0.00 0.00 174.94 175.74 1ywu s ASP 91 N 1.09 6.44 0.26 3.58 -1.08 -1.25 -4.92 116.67 120.80 1ywu s ASP 91 Ca 0.14 2.41 -0.05 0.00 -0.52 0.00 0.00 52.55 54.53 1ywu s ASP 91 Cb -0.14 -2.62 0.31 0.00 -1.46 0.00 0.00 42.92 39.01 1ywu s ASP 91 CO 0.07 -0.74 1.94 -0.07 0.52 0.00 0.00 175.17 176.89 1ywu h LEU 92 N 2.60 1.10 -0.78 -1.34 4.07 -1.97 -0.91 115.31 118.08 1ywu h LEU 92 Ca -0.49 -0.03 -0.12 0.00 0.08 0.00 0.00 57.88 57.32 1ywu h LEU 92 Cb 1.24 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.69 1ywu h LEU 92 CO 0.62 0.80 -0.40 -0.78 -1.08 0.00 0.00 178.44 177.60 1ywu h ASP 93 N 1.30 0.47 -0.31 -0.43 3.58 -1.96 -1.71 116.42 117.34 1ywu h ASP 93 Ca 0.35 -0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.60 1ywu h ASP 93 Cb -0.15 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 40.75 1ywu h ASP 93 CO -0.08 0.82 0.19 -1.28 -2.88 0.00 0.00 179.24 176.02 1ywu h SER 94 N 0.37 0.37 -0.51 2.28 0.87 -1.59 -1.19 113.55 114.15 1ywu h SER 94 Ca 0.03 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1ywu h SER 94 Cb 0.86 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.71 1ywu h SER 94 CO 0.07 0.31 0.32 0.40 -0.53 0.00 0.00 176.83 177.40 1ywu h ILE 95 N 0.41 1.15 0.53 2.23 2.04 -0.96 -1.75 117.51 121.15 1ywu h ILE 95 Ca 0.11 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1ywu h ILE 95 Cb -0.00 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1ywu h ILE 95 CO -0.02 0.15 -0.40 -1.28 0.00 0.00 0.00 178.15 176.59 1ywu h SER 96 N 0.68 -1.05 -0.11 1.72 0.87 -0.99 -2.50 113.55 112.17 1ywu h SER 96 Ca 0.18 0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.76 1ywu h SER 96 Cb -0.04 0.33 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 1ywu h SER 96 CO -0.04 -0.59 -0.09 0.45 -0.53 0.00 0.00 176.83 176.03 1ywu h HIS 97 N -0.91 0.44 0.94 2.24 3.86 -1.18 -0.04 115.15 120.50 1ywu h HIS 97 Ca -0.06 -0.06 -0.05 0.00 -1.16 0.00 0.00 60.37 59.05 1ywu h HIS 97 Cb 0.77 -0.12 0.01 0.00 1.06 0.00 0.00 27.41 29.12 1ywu h HIS 97 CO -0.16 0.51 -0.45 -0.07 0.86 0.00 0.00 177.93 178.62 1ywu h LEU 98 N 0.40 -1.07 -0.66 2.43 -0.00 -1.15 -1.15 115.31 114.12 1ywu h LEU 98 Ca 0.08 0.04 -0.13 0.00 -0.00 0.00 0.00 57.88 57.87 1ywu h LEU 98 Cb 0.41 0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 41.34 1ywu h LEU 98 CO 0.02 -0.76 -0.35 -0.09 -0.00 0.00 0.00 178.44 177.26 1ywu h ARG 99 N -1.26 0.66 -0.75 1.13 2.43 -1.38 -2.77 114.38 112.43 1ywu h ARG 99 Ca -0.13 -0.31 0.04 0.00 -0.81 0.00 0.00 59.98 58.77 1ywu h ARG 99 Cb 0.97 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.46 1ywu h ARG 99 CO 0.21 0.91 0.47 0.00 -1.51 0.00 0.00 179.97 180.05 1ywu h ARG 100 N 0.55 0.86 0.13 0.20 2.47 -0.92 0.16 114.38 117.83 1ywu h ARG 100 Ca 0.06 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 1ywu h ARG 100 Cb 0.86 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 1ywu h ARG 100 CO 0.07 0.57 -0.06 1.25 0.56 0.00 0.00 179.97 182.36 1ywu h LEU 101 N 0.89 -0.15 -1.02 3.04 5.85 -1.13 -2.52 115.31 120.27 1ywu h LEU 101 Ca 0.31 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1ywu h LEU 101 Cb 0.07 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1ywu h LEU 101 CO -0.13 0.26 0.01 0.58 -0.34 0.00 0.00 178.44 178.82 1ywu h VAL 102 N -0.59 1.23 0.12 1.05 2.07 -1.29 -1.06 116.25 117.77 1ywu h VAL 102 Ca -0.02 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1ywu h VAL 102 Cb 0.46 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1ywu h VAL 102 CO 0.03 0.32 -0.06 -0.08 0.02 0.00 0.00 177.57 177.81 1ywu h GLU 103 N 0.68 -0.15 0.00 1.57 4.81 -0.74 0.64 114.58 121.39 1ywu h GLU 103 Ca 0.14 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.30 1ywu h GLU 103 Cb 0.40 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1ywu h GLU 103 CO 0.01 0.26 -0.38 -0.07 -0.73 0.00 0.00 179.01 178.11 1ywu h LEU 104 N -0.63 0.00 -0.18 1.64 4.07 -1.42 -1.11 115.31 117.67 1ywu h LEU 104 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1ywu h LEU 104 Cb 0.49 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.23 1ywu h LEU 104 CO 0.03 0.38 0.00 -3.20 -1.08 0.00 0.00 178.44 174.57 1ywu n ASN 105 N -3.70 0.59 -2.93 -0.43 2.85 -0.41 -4.92 115.26 106.31 1ywu n ASN 105 Ca -0.01 0.58 -0.17 0.00 -0.11 0.00 0.00 54.58 54.87 1ywu n ASN 105 Cb 0.47 -0.73 0.07 0.00 1.24 0.00 0.00 39.78 40.83 1ywu n ASN 105 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1ywu n LEU 106 N -2.08 -3.30 -0.32 1.20 -0.00 -0.42 -4.91 117.00 107.17 1ywu n LEU 106 Ca 0.05 -0.45 0.14 0.00 -0.00 0.00 0.00 56.01 55.74 1ywu n LEU 106 Cb 0.34 -2.53 0.49 0.00 -0.00 0.00 0.00 43.42 41.72 1ywu n LEU 106 CO 0.26 0.44 0.78 0.61 -0.00 0.00 0.00 177.39 179.48 1ywu n GLY 107 N -1.47 -0.42 0.63 -3.96 0.00 0.14 -5.04 105.19 95.08 1ywu n GLY 107 Ca -0.08 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.36 -3.71 0.00 1.61 -0.08 -1.25 -4.53 116.55 108.23 1ywu n ASP 108 Ca 0.16 0.61 0.13 0.00 -1.51 0.00 0.00 54.79 54.18 1ywu n ASP 108 Cb 0.33 -1.36 0.61 0.00 2.34 0.00 0.00 41.12 43.05 1ywu n ASP 108 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1ywu n GLU 109 N -1.41 0.17 -0.35 -0.67 0.28 -1.26 -3.10 120.64 114.29 1ywu n GLU 109 Ca 0.00 0.04 0.07 0.00 -0.16 0.00 0.00 57.16 57.11 1ywu n GLU 109 Cb 0.09 -1.50 0.25 0.00 1.43 0.00 0.00 31.44 31.71 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 0.96 0.00 3.44 4.57 -1.96 -0.15 114.58 121.44 1ywu h GLU 110 Ca 0.00 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 1ywu h GLU 110 Cb 0.36 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1ywu h GLU 110 CO 0.00 0.63 -0.18 -0.07 -1.18 0.00 0.00 179.01 178.22 1ywu h LEU 111 N 0.98 0.00 0.00 1.64 3.38 -1.78 -2.26 115.31 117.28 1ywu h LEU 111 Ca 0.49 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.42 1ywu h LEU 111 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1ywu h LEU 111 CO -0.25 0.18 -0.30 -0.07 0.09 0.00 0.00 178.44 178.09 1ywu h LEU 112 N 0.00 0.00 -3.35 1.67 3.38 -1.23 -3.32 115.31 112.46 1ywu h LEU 112 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1ywu h LEU 112 Cb 0.67 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 1ywu h LEU 112 CO 0.02 0.17 0.02 -0.62 0.09 0.00 0.00 178.44 178.12 1ywu n GLU 113 N -3.09 2.62 0.00 1.13 -0.58 -0.83 -3.36 120.64 116.52 1ywu n GLU 113 Ca 0.03 -2.98 0.00 0.00 -0.42 0.00 0.00 57.16 53.79 1ywu n GLU 113 Cb 0.60 -1.88 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 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 -0.70 -0.17 -4.18 3.49 1.74 -1.12 -5.03 116.66 110.69 1ywu n ARG 114 Ca 0.28 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 57.06 1ywu n ARG 114 Cb 1.00 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 32.36 1ywu n ARG 114 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1ywu s GLU 115 N -2.75 2.45 0.41 5.56 0.41 -1.26 -4.89 118.70 118.64 1ywu s GLU 115 Ca 0.00 -0.87 0.15 0.00 -0.41 0.00 0.00 54.97 53.84 1ywu s GLU 115 Cb 0.00 -2.48 1.01 0.00 -1.78 0.00 0.00 34.13 30.88 1ywu s GLU 115 CO 0.00 0.54 1.91 1.25 -0.49 0.00 0.00 175.26 178.47 1ywu h LEU 116 N 3.59 0.44 -0.65 1.80 5.85 -1.93 0.45 115.31 124.85 1ywu h LEU 116 Ca -0.48 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1ywu h LEU 116 Cb 1.17 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1ywu h LEU 116 CO 0.57 0.22 0.00 0.00 -0.34 0.00 0.00 178.44 178.90 1ywu n ALA 117 N -2.51 1.56 0.93 1.25 0.00 -1.26 -1.62 120.51 118.87 1ywu n ALA 117 Ca 0.15 0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.77 1ywu n ALA 117 Cb 0.52 -1.34 0.01 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.09 0.78 -4.44 0.00 4.77 0.15 -4.81 117.00 111.36 1ywu n LEU 118 Ca 0.02 -0.29 -0.44 0.00 -0.03 0.00 0.00 56.01 55.27 1ywu n LEU 118 Cb 0.19 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1ywu n LEU 118 CO 0.17 0.19 0.35 -0.76 -1.33 0.00 0.00 177.39 176.01 1ywu s LEU 119 N -3.12 4.97 0.00 2.23 1.02 -0.64 -4.94 118.68 118.20 1ywu s LEU 119 Ca 0.08 -0.94 0.00 0.00 0.02 0.00 0.00 54.13 53.30 1ywu s LEU 119 Cb 0.16 -2.45 0.00 0.00 0.02 0.00 0.00 46.19 43.93 1ywu s LEU 119 CO 0.81 -0.92 0.00 0.52 0.02 0.00 0.00 176.35 176.78 1ywu n VAL 120 N 5.63 0.00 -2.49 -1.59 0.31 -1.26 -4.89 118.33 114.04 1ywu n VAL 120 Ca -0.06 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.03 1ywu n VAL 120 Cb 0.45 -0.10 0.07 0.00 -0.91 0.00 0.00 33.84 33.35 1ywu n VAL 120 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1ywu s SER 121 N 0.05 4.85 0.21 4.52 0.01 -1.26 -4.50 113.70 117.59 1ywu s SER 121 Ca 0.00 0.02 -0.13 0.00 1.31 0.00 0.00 55.95 57.15 1ywu s SER 121 Cb 0.00 -0.69 0.26 0.00 0.21 0.00 0.00 66.02 65.80 1ywu s SER 121 CO 0.00 -1.49 1.63 0.00 0.41 0.00 0.00 173.24 173.78 1ywu h ALA 122 N -0.30 0.46 -1.38 1.44 0.00 -1.92 -2.94 119.26 114.62 1ywu h ALA 122 Ca -0.41 0.25 -0.62 0.00 0.00 0.00 0.00 54.91 54.13 1ywu h ALA 122 Cb 1.29 0.48 -0.12 0.00 0.00 0.00 0.00 17.79 19.44 1ywu h ALA 122 CO 0.51 -0.42 1.22 -3.38 0.00 0.00 0.00 179.25 177.18 1ywu s HIS 123 N -6.22 2.66 0.10 0.00 0.00 -1.26 -4.83 115.29 105.73 1ywu s HIS 123 Ca -0.14 -0.86 -0.16 0.00 -3.00 0.00 0.00 55.06 50.90 1ywu s HIS 123 Cb 0.20 -4.56 -0.08 0.00 -4.00 0.00 0.00 32.58 24.14 1ywu s HIS 123 CO 0.74 -1.83 1.45 0.22 -1.00 0.00 0.00 174.74 174.32 1ywu h ASP 124 N 9.57 0.68 0.00 7.38 3.58 -1.90 -3.51 116.42 132.22 1ywu h ASP 124 Ca 0.10 -0.43 0.00 0.00 0.42 0.00 0.00 57.03 57.12 1ywu h ASP 124 Cb 1.02 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.88 1ywu h ASP 124 CO 1.32 0.96 0.00 -0.67 -2.88 0.00 0.00 179.24 177.97