#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 -0.73 -0.19 6.12 1.04 -1.26 -5.13 113.70 113.56 1ywu s SER 2 Ca 0.00 1.34 -0.29 0.00 0.48 0.00 0.00 55.95 57.48 1ywu s SER 2 Cb 0.00 1.35 -0.00 0.00 0.10 0.00 0.00 66.02 67.47 1ywu s SER 2 CO 0.00 -0.23 1.08 1.51 0.98 0.00 0.00 173.24 176.59 1ywu s ASP 3 N 0.64 7.10 -0.93 7.02 1.47 -1.26 -4.97 116.67 125.75 1ywu s ASP 3 Ca -0.02 1.48 -0.19 0.00 1.18 0.00 0.00 52.55 55.00 1ywu s ASP 3 Cb -0.05 -2.54 0.12 0.00 -0.34 0.00 0.00 42.92 40.11 1ywu s ASP 3 CO -0.05 -0.64 1.15 -1.10 0.68 0.00 0.00 175.17 175.21 1ywu s GLN 4 N 2.99 3.58 -1.20 2.11 -0.21 -1.26 -4.91 119.66 120.75 1ywu s GLN 4 Ca 0.47 -1.66 -0.10 0.00 0.02 0.00 0.00 55.36 54.09 1ywu s GLN 4 Cb -0.17 -4.93 0.20 0.00 1.00 0.00 0.00 33.01 29.11 1ywu s GLN 4 CO 0.10 -1.82 1.55 -2.39 -2.12 0.00 0.00 175.29 170.62 1ywu n HIS 5 N 6.83 3.94 -0.05 0.91 1.44 -1.26 -4.58 115.22 122.44 1ywu n HIS 5 Ca 0.24 -3.13 -0.05 0.00 -2.01 0.00 0.00 57.72 52.76 1ywu n HIS 5 Cb 0.49 -1.91 -0.07 0.00 0.12 0.00 0.00 29.99 28.63 1ywu n HIS 5 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1ywu n ASP 6 N 4.00 2.85 -4.88 4.39 9.92 -1.26 -5.03 116.55 126.55 1ywu n ASP 6 Ca 0.35 -0.01 -0.32 0.00 -0.53 0.00 0.00 54.79 54.28 1ywu n ASP 6 Cb 0.39 0.57 -0.05 0.00 -0.64 0.00 0.00 41.12 41.38 1ywu n ASP 6 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1ywu s GLU 7 N -2.22 3.77 0.00 -1.24 2.02 -1.26 -4.98 118.70 114.80 1ywu s GLU 7 Ca -0.06 0.21 0.04 0.00 0.02 0.00 0.00 54.97 55.18 1ywu s GLU 7 Cb 0.03 -2.68 0.06 0.00 0.10 0.00 0.00 34.13 31.63 1ywu s GLU 7 CO 0.35 0.34 0.80 2.89 0.02 0.00 0.00 175.26 179.66 1ywu n ARG 8 N -0.09 0.88 -2.12 1.61 1.85 -1.26 -5.02 116.66 112.50 1ywu n ARG 8 Ca -0.00 -1.10 -0.42 0.00 -1.00 0.00 0.00 57.85 55.33 1ywu n ARG 8 Cb 0.52 -1.08 -0.03 0.00 -1.05 0.00 0.00 32.46 30.83 1ywu n ARG 8 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 1ywu s ARG 9 N -0.58 4.32 0.00 2.89 1.70 -1.26 -5.02 118.95 121.00 1ywu s ARG 9 Ca 0.06 2.16 0.00 0.00 -0.47 0.00 0.00 55.73 57.48 1ywu s ARG 9 Cb 0.03 -3.18 0.00 0.00 -0.57 0.00 0.00 34.95 31.24 1ywu s ARG 9 CO 0.05 -0.38 0.00 0.54 -1.08 0.00 0.00 175.30 174.43 1ywu n ARG 10 N 2.96 3.71 -1.71 3.89 1.74 -1.26 -4.98 116.66 121.01 1ywu n ARG 10 Ca 0.08 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.81 1ywu n ARG 10 Cb 0.41 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.82 1ywu n ARG 10 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ywu s PHE 11 N 2.30 1.26 -0.21 -1.55 0.40 -1.26 -4.93 117.98 114.00 1ywu s PHE 11 Ca 0.00 1.36 -0.05 0.00 -0.60 0.00 0.00 56.93 57.64 1ywu s PHE 11 Cb 0.00 -3.73 -0.02 0.00 0.51 0.00 0.00 43.02 39.78 1ywu s PHE 11 CO 0.00 -2.38 -0.00 -1.58 0.70 0.00 0.00 175.22 171.96 1ywu s HIS 12 N 11.48 3.02 0.59 0.36 2.46 -1.26 -5.08 115.29 126.86 1ywu s HIS 12 Ca 0.88 -0.53 -0.10 0.00 0.47 0.00 0.00 55.06 55.77 1ywu s HIS 12 Cb -0.15 -2.09 0.14 0.00 -0.13 0.00 0.00 32.58 30.34 1ywu s HIS 12 CO 0.22 -0.30 0.79 0.54 -2.47 0.00 0.00 174.74 173.53 1ywu n ARG 13 N 4.37 -0.83 -2.43 2.88 1.74 -1.26 -4.89 116.66 116.24 1ywu n ARG 13 Ca -0.17 -1.22 -0.37 0.00 -0.77 0.00 0.00 57.85 55.31 1ywu n ARG 13 Cb 0.52 -0.82 -0.03 0.00 -1.02 0.00 0.00 32.46 31.10 1ywu n ARG 13 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ywu s ILE 14 N -2.72 3.81 -0.25 0.55 -1.09 -1.26 -4.83 121.20 115.42 1ywu s ILE 14 Ca 0.45 -0.72 -0.02 0.00 -2.23 0.00 0.00 60.65 58.12 1ywu s ILE 14 Cb -0.01 -4.80 0.13 0.00 -1.58 0.00 0.00 42.46 36.20 1ywu s ILE 14 CO 0.32 -1.69 0.37 0.00 -1.23 0.00 0.00 174.94 172.71 1ywu s ALA 15 N 6.29 -1.05 0.42 9.38 0.00 -1.26 -2.81 121.76 132.73 1ywu s ALA 15 Ca 0.53 0.80 0.03 0.00 0.00 0.00 0.00 51.96 53.31 1ywu s ALA 15 Cb -0.01 -1.69 -0.00 0.00 0.00 0.00 0.00 23.12 21.41 1ywu s ALA 15 CO -0.06 -1.31 0.61 -0.06 0.00 0.00 0.00 175.76 174.94 1ywu s PHE 16 N 2.53 3.15 0.00 0.00 0.40 -1.26 -4.96 117.98 117.84 1ywu s PHE 16 Ca 0.12 0.05 -0.04 0.00 -0.60 0.00 0.00 56.93 56.46 1ywu s PHE 16 Cb -0.15 -2.25 -0.19 0.00 0.51 0.00 0.00 43.02 40.94 1ywu s PHE 16 CO -0.17 -0.29 3.04 -0.40 0.70 0.00 0.00 175.22 178.10 1ywu n ASP 17 N -1.96 4.91 -4.89 1.36 5.68 -1.26 -4.85 116.55 115.55 1ywu n ASP 17 Ca 0.02 -2.39 -0.23 0.00 -0.50 0.00 0.00 54.79 51.68 1ywu n ASP 17 Cb 0.58 -1.26 -0.02 0.00 -1.14 0.00 0.00 41.12 39.28 1ywu n ASP 17 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ywu s ALA 18 N 0.89 4.23 -0.13 2.12 0.00 -1.26 -5.10 121.76 122.51 1ywu s ALA 18 Ca 0.47 -1.69 -0.16 0.00 0.00 0.00 0.00 51.96 50.58 1ywu s ALA 18 Cb 0.23 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1ywu s ALA 18 CO 0.00 -0.37 0.41 -0.51 0.00 0.00 0.00 175.76 175.29 1ywu s ASP 19 N -4.22 6.59 -0.22 0.00 1.11 -1.18 -4.93 116.67 113.82 1ywu s ASP 19 Ca 0.43 0.70 0.00 0.00 0.18 0.00 0.00 52.55 53.86 1ywu s ASP 19 Cb -0.02 -2.25 0.06 0.00 1.07 0.00 0.00 42.92 41.78 1ywu s ASP 19 CO 0.26 0.04 -0.05 -0.94 1.18 0.00 0.00 175.17 175.66 1ywu s SER 20 N 0.54 3.60 -0.03 0.27 1.04 -1.26 -0.23 113.70 117.64 1ywu s SER 20 Ca 0.22 -1.06 0.03 0.00 0.48 0.00 0.00 55.95 55.62 1ywu s SER 20 Cb -0.14 -1.09 -0.03 0.00 0.10 0.00 0.00 66.02 64.86 1ywu s SER 20 CO 0.08 -0.23 -0.10 -1.61 0.98 0.00 0.00 173.24 172.36 1ywu s GLU 21 N 1.47 2.55 -0.24 4.02 2.02 -0.56 -0.65 118.70 127.31 1ywu s GLU 21 Ca -0.04 -0.69 -0.10 0.00 0.02 0.00 0.00 54.97 54.15 1ywu s GLU 21 Cb -0.18 -2.47 -0.05 0.00 0.10 0.00 0.00 34.13 31.53 1ywu s GLU 21 CO -0.07 0.62 0.16 0.42 0.02 0.00 0.00 175.26 176.41 1ywu s ILE 22 N -0.88 5.30 0.32 -1.63 1.01 0.49 -0.38 121.20 125.43 1ywu s ILE 22 Ca 0.14 0.16 0.09 0.00 0.00 0.00 0.00 60.65 61.04 1ywu s ILE 22 Cb -0.11 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 1ywu s ILE 22 CO 0.04 0.34 0.09 -0.76 0.00 0.00 0.00 174.94 174.65 1ywu s LEU 23 N 1.12 3.23 -0.43 2.97 1.43 0.47 -0.84 118.68 126.62 1ywu s LEU 23 Ca 0.07 -0.75 0.07 0.00 -1.03 0.00 0.00 54.13 52.49 1ywu s LEU 23 Cb -0.14 -1.70 0.23 0.00 0.03 0.00 0.00 46.19 44.60 1ywu s LEU 23 CO 0.05 -0.20 0.60 1.67 0.23 0.00 0.00 176.35 178.70 1ywu n GLN 24 N -1.06 0.61 0.00 1.70 7.27 -0.95 -0.66 117.38 124.29 1ywu n GLN 24 Ca -0.04 -2.74 0.00 0.00 0.07 0.00 0.00 57.00 54.29 1ywu n GLN 24 Cb 0.61 -1.38 0.00 0.00 2.41 0.00 0.00 30.24 31.87 1ywu n GLN 24 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ywu n GLY 25 N 1.88 1.16 0.59 1.69 0.00 -1.26 -3.67 105.19 105.58 1ywu n GLY 25 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 -3.17 1.61 0.28 -1.26 -5.07 120.64 113.03 1ywu n GLU 26 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.68 1ywu n GLU 26 Cb 0.00 -0.69 -0.06 0.00 1.43 0.00 0.00 31.44 32.12 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 -1.96 3.98 -0.07 3.44 0.52 -1.24 -5.07 118.95 118.55 1ywu s ARG 27 Ca 0.00 0.63 0.03 0.00 -0.52 0.00 0.00 55.73 55.86 1ywu s ARG 27 Cb 0.00 -2.47 0.01 0.00 0.52 0.00 0.00 34.95 33.01 1ywu s ARG 27 CO 0.00 0.18 -0.16 1.03 0.02 0.00 0.00 175.30 176.38 1ywu s ARG 28 N -2.93 2.07 -0.26 3.54 0.52 -1.26 -2.24 118.95 118.39 1ywu s ARG 28 Ca 0.53 -0.55 0.00 0.00 -0.52 0.00 0.00 55.73 55.19 1ywu s ARG 28 Cb -0.10 -1.66 0.07 0.00 0.52 0.00 0.00 34.95 33.78 1ywu s ARG 28 CO 0.18 0.08 -0.00 -1.58 0.02 0.00 0.00 175.30 174.00 1ywu s TRP 29 N 0.54 2.29 -0.07 -0.53 0.51 -0.02 -4.97 118.94 116.70 1ywu s TRP 29 Ca -0.15 -1.82 -0.30 0.00 -2.12 0.00 0.00 56.10 51.72 1ywu s TRP 29 Cb -0.16 -1.72 -0.05 0.00 -0.81 0.00 0.00 33.47 30.73 1ywu s TRP 29 CO 0.05 -0.80 1.56 -2.00 -0.51 0.00 0.00 176.95 175.25 1ywu s GLU 30 N 1.42 4.20 0.13 4.98 2.12 -1.26 -0.38 118.70 129.91 1ywu s GLU 30 Ca -0.00 2.08 0.07 0.00 0.36 0.00 0.00 54.97 57.48 1ywu s GLU 30 Cb -0.18 -3.90 -0.04 0.00 0.26 0.00 0.00 34.13 30.27 1ywu s GLU 30 CO -0.10 -0.79 -0.17 0.54 -0.54 0.00 0.00 175.26 174.19 1ywu s VAL 31 N 3.75 1.58 -0.08 3.70 0.11 0.18 -4.95 120.40 124.69 1ywu s VAL 31 Ca 0.69 -1.69 -0.29 0.00 -2.93 0.00 0.00 61.98 57.76 1ywu s VAL 31 Cb -0.31 -1.60 -0.02 0.00 -1.53 0.00 0.00 36.38 32.92 1ywu s VAL 31 CO 0.27 -0.26 0.96 -0.76 -3.33 0.00 0.00 175.10 171.98 1ywu s LEU 32 N -2.29 4.28 0.26 2.54 1.02 -1.26 -4.22 118.68 119.01 1ywu s LEU 32 Ca 0.09 1.51 -0.30 0.00 0.02 0.00 0.00 54.13 55.46 1ywu s LEU 32 Cb -0.07 -3.50 -0.09 0.00 0.02 0.00 0.00 46.19 42.55 1ywu s LEU 32 CO 0.04 -0.36 1.03 -0.22 0.02 0.00 0.00 176.35 176.86 1ywu s LEU 33 N 1.63 4.60 0.00 1.79 2.96 -1.26 -2.79 118.68 125.61 1ywu s LEU 33 Ca 0.48 2.12 0.00 0.00 -0.22 0.00 0.00 54.13 56.51 1ywu s LEU 33 Cb -0.19 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.88 1ywu s LEU 33 CO 0.20 -0.00 0.00 1.41 -1.32 0.00 0.00 176.35 176.64 1ywu n HIS 34 N 1.33 0.00 -3.50 5.38 8.25 -0.82 -4.90 115.22 120.96 1ywu n HIS 34 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.35 1ywu n HIS 34 Cb 0.46 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.55 1ywu n HIS 34 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1ywu s ASP 35 N -3.47 -0.43 -0.25 0.41 2.15 -0.20 -4.27 116.67 110.60 1ywu s ASP 35 Ca 0.00 -0.05 -0.11 0.00 0.43 0.00 0.00 52.55 52.82 1ywu s ASP 35 Cb 0.00 0.49 0.09 0.00 -0.30 0.00 0.00 42.92 43.21 1ywu s ASP 35 CO 0.00 -0.81 0.58 0.54 -0.17 0.00 0.00 175.17 175.31 1ywu s VAL 36 N -3.42 -0.45 0.13 1.11 0.11 -1.12 -0.39 120.40 116.36 1ywu s VAL 36 Ca 0.04 0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.15 1ywu s VAL 36 Cb -0.01 -0.87 -0.01 0.00 -1.53 0.00 0.00 36.38 33.96 1ywu s VAL 36 CO -0.09 0.02 0.06 -1.54 -3.33 0.00 0.00 175.10 170.21 1ywu n SER 37 N 4.87 0.77 0.00 3.54 3.41 0.51 -4.82 113.62 121.91 1ywu n SER 37 Ca -0.16 -1.71 0.15 0.00 -0.26 0.00 0.00 58.87 56.89 1ywu n SER 37 Cb 0.53 0.38 0.80 0.00 -0.26 0.00 0.00 64.21 65.66 1ywu n SER 37 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1ywu n LEU 38 N 0.00 0.00 -0.09 1.04 7.94 -1.18 -3.13 117.00 121.58 1ywu n LEU 38 Ca -0.01 0.19 -0.09 0.00 -1.11 0.00 0.00 56.01 54.99 1ywu n LEU 38 Cb 0.20 -0.19 -0.14 0.00 0.53 0.00 0.00 43.42 43.82 1ywu n LEU 38 CO 0.10 -0.00 -1.08 1.41 -1.11 0.00 0.00 177.39 176.71 1ywu n HIS 39 N -1.19 0.00 0.00 1.96 -0.00 -1.26 -4.83 115.22 109.89 1ywu n HIS 39 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.89 1ywu n HIS 39 Cb 0.19 -0.87 0.00 0.00 -0.00 0.00 0.00 29.99 29.32 1ywu n HIS 39 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ywu n GLY 40 N 1.96 -0.76 3.23 -1.41 0.00 -1.18 -1.22 105.19 105.80 1ywu n GLY 40 Ca -0.29 -1.13 -0.28 0.00 0.00 0.00 0.00 46.02 44.32 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 1.72 -0.39 -0.61 2.07 -0.21 -0.36 121.20 121.41 1ywu s ILE 41 Ca 0.00 -0.92 -0.02 0.00 -1.41 0.00 0.00 60.65 58.30 1ywu s ILE 41 Cb 0.00 -1.44 0.10 0.00 0.13 0.00 0.00 42.46 41.26 1ywu s ILE 41 CO 0.00 0.49 0.17 -0.22 -1.91 0.00 0.00 174.94 173.47 1ywu s LEU 42 N -0.40 5.10 0.00 8.50 2.96 0.48 -0.61 118.68 134.71 1ywu s LEU 42 Ca 0.05 -1.99 0.04 0.00 -0.22 0.00 0.00 54.13 52.01 1ywu s LEU 42 Cb -0.09 -1.80 0.04 0.00 0.50 0.00 0.00 46.19 44.83 1ywu s LEU 42 CO 0.00 -0.50 0.30 1.33 -1.32 0.00 0.00 176.35 176.16 1ywu n VAL 43 N 4.55 0.00 -3.25 1.68 0.24 -0.53 -1.04 118.33 119.99 1ywu n VAL 43 Ca -0.02 -1.09 0.04 0.00 -2.04 0.00 0.00 64.34 61.23 1ywu n VAL 43 Cb 0.42 -0.46 -0.04 0.00 -1.47 0.00 0.00 33.84 32.28 1ywu n VAL 43 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ywu s GLY 44 N -3.13 0.42 0.00 7.63 0.00 -1.12 -0.42 107.32 110.70 1ywu s GLY 44 Ca 0.23 3.78 0.00 0.00 0.00 0.00 0.00 44.72 48.73 1ywu s GLY 44 CO 0.15 3.29 0.00 -0.18 0.00 0.00 0.00 173.10 176.36 1ywu n GLN 45 N 4.22 0.00 -2.92 2.90 0.00 -1.16 -4.41 117.38 116.01 1ywu n GLN 45 Ca -0.08 0.00 -0.33 0.00 -0.00 0.00 0.00 57.00 56.59 1ywu n GLN 45 Cb 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.73 1ywu n GLN 45 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1ywu s PRO 46 N 0.00 4.16 -0.00 3.69 0.05 -1.26 -4.84 135.00 136.80 1ywu s PRO 46 Ca 0.00 0.98 0.04 0.00 0.05 0.00 0.00 61.00 62.07 1ywu s PRO 46 Cb 0.00 -2.27 -0.05 0.00 0.05 0.00 0.00 34.50 32.23 1ywu s PRO 46 CO 0.00 0.03 0.14 0.00 0.05 0.00 0.00 177.00 177.23 1ywu n GLN 47 N -0.54 3.47 -4.42 4.56 10.64 -1.26 -4.80 117.38 125.03 1ywu n GLN 47 Ca 0.06 -0.02 -0.21 0.00 -1.83 0.00 0.00 57.00 55.00 1ywu n GLN 47 Cb 0.54 -0.85 -0.10 0.00 -0.86 0.00 0.00 30.24 28.96 1ywu n GLN 47 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1ywu s ASP 48 N -1.82 2.87 0.36 2.61 1.11 -1.26 -5.04 116.67 115.49 1ywu s ASP 48 Ca 0.00 -1.14 0.05 0.00 0.18 0.00 0.00 52.55 51.65 1ywu s ASP 48 Cb 0.03 -0.19 -0.02 0.00 1.07 0.00 0.00 42.92 43.81 1ywu s ASP 48 CO 0.17 -0.26 0.19 0.79 1.18 0.00 0.00 175.17 177.24 1ywu n TRP 49 N -0.56 -0.23 0.08 4.23 7.02 -1.26 -5.05 117.44 121.67 1ywu n TRP 49 Ca -0.06 -2.54 -0.10 0.00 -1.02 0.00 0.00 57.50 53.78 1ywu n TRP 49 Cb 0.62 0.11 -0.02 0.00 -2.42 0.00 0.00 31.31 29.60 1ywu n TRP 49 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 1ywu h ASN 50 N 1.70 0.30 0.00 -0.99 -1.24 -2.04 -3.46 115.58 109.85 1ywu h ASN 50 Ca -0.27 -0.25 0.00 0.00 0.71 0.00 0.00 56.30 56.49 1ywu h ASN 50 Cb 1.14 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.10 1ywu h ASN 50 CO 0.41 1.06 0.00 0.61 -1.29 0.00 0.00 177.43 178.23 1ywu n GLY 51 N 0.93 0.27 3.09 1.57 0.00 -1.26 -5.17 105.19 104.63 1ywu n GLY 51 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 1.00 0.22 0.66 1.61 1.01 -1.26 -5.01 116.67 114.90 1ywu s ASP 52 Ca 0.00 -0.58 0.44 0.00 0.71 0.00 0.00 52.55 53.12 1ywu s ASP 52 Cb 0.00 0.20 2.36 0.00 1.01 0.00 0.00 42.92 46.49 1ywu s ASP 52 CO 0.00 -0.48 2.35 -0.65 0.21 0.00 0.00 175.17 176.60 1ywu h PRO 53 N 3.77 0.00 -0.09 8.23 0.11 -2.00 -2.28 132.00 139.74 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 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ywu h PRO 53 CO 0.51 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.34 1ywu n GLN 54 N -3.11 1.54 -3.03 1.05 1.13 -1.26 -3.47 117.38 110.24 1ywu n GLN 54 Ca -0.03 -0.80 -0.40 0.00 -1.94 0.00 0.00 57.00 53.83 1ywu n GLN 54 Cb 0.09 -1.40 -0.05 0.00 0.11 0.00 0.00 30.24 28.99 1ywu n GLN 54 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1ywu s ARG 55 N -1.88 4.44 -0.29 -1.09 1.81 -0.86 -4.98 118.95 116.09 1ywu s ARG 55 Ca 0.34 0.93 -0.38 0.00 -1.72 0.00 0.00 55.73 54.89 1ywu s ARG 55 Cb 0.18 -3.43 -0.14 0.00 -0.45 0.00 0.00 34.95 31.11 1ywu s ARG 55 CO 0.28 0.11 1.91 -2.30 -0.68 0.00 0.00 175.30 174.61 1ywu n PRO 56 N 3.59 1.18 -4.37 3.54 -0.02 -1.26 -4.63 135.00 133.02 1ywu n PRO 56 Ca -0.01 0.40 -0.33 0.00 -2.02 0.00 0.00 63.50 61.54 1ywu n PRO 56 Cb 0.51 -2.23 -0.09 0.00 -0.02 0.00 0.00 33.50 31.67 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 4.82 3.04 0.13 6.00 2.99 -0.89 -4.69 117.98 129.37 1ywu s PHE 57 Ca 1.02 0.07 0.09 0.00 0.00 0.00 0.00 56.93 58.12 1ywu s PHE 57 Cb -1.00 -1.68 -0.04 0.00 0.00 0.00 0.00 43.02 40.30 1ywu s PHE 57 CO 0.60 0.43 -0.18 -1.21 -0.00 0.00 0.00 175.22 174.86 1ywu s GLU 58 N -1.33 1.79 -0.15 0.44 2.02 0.16 -0.61 118.70 121.02 1ywu s GLU 58 Ca 0.17 -1.21 0.01 0.00 0.02 0.00 0.00 54.97 53.96 1ywu s GLU 58 Cb -0.11 -2.10 -0.00 0.00 0.10 0.00 0.00 34.13 32.01 1ywu s GLU 58 CO 0.07 0.47 -0.16 0.00 0.02 0.00 0.00 175.26 175.66 1ywu s ALA 59 N -1.23 2.45 -0.30 5.21 0.00 -0.14 -0.40 121.76 127.36 1ywu s ALA 59 Ca 0.19 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.15 1ywu s ALA 59 Cb -0.10 -1.17 0.08 0.00 0.00 0.00 0.00 23.12 21.93 1ywu s ALA 59 CO 0.11 0.01 -0.03 0.50 0.00 0.00 0.00 175.76 176.34 1ywu s ARG 60 N 0.75 1.87 -0.19 0.00 3.52 0.48 -1.93 118.95 123.46 1ywu s ARG 60 Ca -0.07 -1.59 -0.08 0.00 -0.13 0.00 0.00 55.73 53.85 1ywu s ARG 60 Cb -0.16 -3.03 -0.04 0.00 -1.56 0.00 0.00 34.95 30.16 1ywu s ARG 60 CO 0.01 -0.74 0.09 -0.51 -0.81 0.00 0.00 175.30 173.34 1ywu s LEU 61 N 1.01 4.01 -0.68 -0.88 1.43 0.46 -1.50 118.68 122.53 1ywu s LEU 61 Ca 0.00 0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.16 1ywu s LEU 61 Cb -0.20 -2.02 0.18 0.00 0.03 0.00 0.00 46.19 44.18 1ywu s LEU 61 CO -0.06 0.19 0.58 -0.31 0.23 0.00 0.00 176.35 176.97 1ywu s TYR 62 N 0.30 3.55 -1.67 0.29 1.51 0.68 -1.21 117.35 120.80 1ywu s TYR 62 Ca 0.06 -2.02 0.25 0.00 -1.01 0.00 0.00 57.07 54.35 1ywu s TYR 62 Cb -0.12 -3.63 0.49 0.00 -0.11 0.00 0.00 41.96 38.59 1ywu s TYR 62 CO -0.01 -0.96 1.40 1.28 -1.11 0.00 0.00 175.55 176.14 1ywu n LEU 63 N 4.23 1.19 0.00 -1.29 4.32 -0.68 -3.13 117.00 121.64 1ywu n LEU 63 Ca 0.04 -0.36 0.00 0.00 -0.02 0.00 0.00 56.01 55.68 1ywu n LEU 63 Cb 0.43 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.13 1ywu n LEU 63 CO 0.38 0.23 0.00 0.61 -1.22 0.00 0.00 177.39 177.39 1ywu n GLY 64 N 1.39 -0.39 0.16 -0.72 0.00 -1.04 -4.82 105.19 99.77 1ywu n GLY 64 Ca 0.10 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 0.02 -2.01 0.99 4.07 -2.00 -2.99 115.31 113.38 1ywu h LEU 65 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1ywu h LEU 65 Cb 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.73 1ywu h LEU 65 CO 0.00 0.51 0.00 0.47 -1.08 0.00 0.00 178.44 178.34 1ywu n ASP 66 N -3.96 2.34 -4.04 -0.43 8.00 -1.26 -4.79 116.55 112.41 1ywu n ASP 66 Ca -0.02 -1.68 -0.34 0.00 0.71 0.00 0.00 54.79 53.47 1ywu n ASP 66 Cb 0.51 -0.09 -0.10 0.00 -0.02 0.00 0.00 41.12 41.41 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 -0.97 3.53 -0.16 2.53 1.01 -1.13 -5.06 120.40 120.16 1ywu s VAL 67 Ca 0.17 -3.51 -0.05 0.00 0.00 0.00 0.00 61.98 58.60 1ywu s VAL 67 Cb 0.11 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1ywu s VAL 67 CO 0.15 -0.94 -0.02 -0.22 0.00 0.00 0.00 175.10 174.07 1ywu s LEU 68 N -0.70 3.37 -0.19 3.92 2.96 -1.26 -1.69 118.68 125.09 1ywu s LEU 68 Ca 0.21 -0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1ywu s LEU 68 Cb -0.15 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 1ywu s LEU 68 CO -0.07 0.17 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.40 1ywu s ILE 69 N 0.37 3.11 0.03 6.68 1.01 -0.35 -4.89 121.20 127.17 1ywu s ILE 69 Ca -0.03 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 60.10 1ywu s ILE 69 Cb -0.14 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 1ywu s ILE 69 CO 0.02 0.47 -0.18 0.00 0.00 0.00 0.00 174.94 175.25 1ywu s ARG 70 N 1.11 2.09 -0.25 2.79 1.70 -1.26 -0.40 118.95 124.73 1ywu s ARG 70 Ca 0.01 -0.97 -0.23 0.00 -0.47 0.00 0.00 55.73 54.07 1ywu s ARG 70 Cb -0.15 -2.19 0.07 0.00 -0.57 0.00 0.00 34.95 32.11 1ywu s ARG 70 CO -0.02 0.55 0.67 0.00 -1.08 0.00 0.00 175.30 175.41 1ywu s MET 71 N -1.35 0.78 -0.22 3.89 0.23 -0.81 -4.42 119.30 117.41 1ywu s MET 71 Ca 0.14 0.92 -0.17 0.00 -1.03 0.00 0.00 55.69 55.54 1ywu s MET 71 Cb -0.10 0.38 -0.03 0.00 -1.53 0.00 0.00 34.83 33.54 1ywu s MET 71 CO 0.04 -0.10 0.47 -1.21 -2.03 0.00 0.00 175.02 172.20 1ywu s GLU 72 N 0.33 4.14 0.34 3.16 8.01 0.03 -0.97 118.70 133.74 1ywu s GLU 72 Ca -0.00 0.30 0.03 0.00 0.01 0.00 0.00 54.97 55.31 1ywu s GLU 72 Cb -0.05 -3.58 -0.05 0.00 -4.31 0.00 0.00 34.13 26.14 1ywu s GLU 72 CO 0.01 -0.17 0.07 0.96 0.01 0.00 0.00 175.26 176.15 1ywu s ILE 73 N 1.71 1.02 -0.01 -1.63 -4.36 0.22 -0.76 121.20 117.39 1ywu s ILE 73 Ca 0.21 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.60 1ywu s ILE 73 Cb -0.15 -2.69 0.01 0.00 1.25 0.00 0.00 42.46 40.88 1ywu s ILE 73 CO 0.09 0.00 0.03 -0.55 0.24 0.00 0.00 174.94 174.75 1ywu s SER 74 N -3.50 0.01 -0.30 4.36 0.15 -0.20 -2.10 113.70 112.12 1ywu s SER 74 Ca 0.34 0.05 -0.29 0.00 0.70 0.00 0.00 55.95 56.75 1ywu s SER 74 Cb 0.07 0.00 -0.01 0.00 -1.71 0.00 0.00 66.02 64.37 1ywu s SER 74 CO 0.15 -0.06 1.55 -0.22 1.20 0.00 0.00 173.24 175.87 1ywu s LEU 75 N 0.45 3.74 -0.15 3.45 2.96 -1.23 -0.33 118.68 127.57 1ywu s LEU 75 Ca -0.04 1.30 -0.14 0.00 -0.22 0.00 0.00 54.13 55.04 1ywu s LEU 75 Cb -0.05 -3.53 -0.10 0.00 0.50 0.00 0.00 46.19 43.00 1ywu s LEU 75 CO -0.01 -1.36 0.08 0.00 -1.32 0.00 0.00 176.35 173.73 1ywu h ALA 76 N 10.93 0.08 -3.45 5.97 0.00 -1.39 -3.43 119.26 127.98 1ywu h ALA 76 Ca -0.31 -0.63 -0.20 0.00 0.00 0.00 0.00 54.91 53.76 1ywu h ALA 76 Cb 1.14 0.43 -0.26 0.00 0.00 0.00 0.00 17.79 19.10 1ywu h ALA 76 CO 1.03 0.42 -0.66 1.67 0.00 0.00 0.00 179.25 181.71 1ywu s TRP 77 N -2.16 0.01 -0.06 0.00 1.48 -0.85 -5.02 118.94 112.35 1ywu s TRP 77 Ca -0.17 -0.02 -0.02 0.00 -1.06 0.00 0.00 56.10 54.84 1ywu s TRP 77 Cb 0.02 -0.03 0.03 0.00 -1.16 0.00 0.00 33.47 32.34 1ywu s TRP 77 CO 0.35 -0.07 0.02 0.00 -4.06 0.00 0.00 176.95 173.19 1ywu s ALA 78 N -0.34 0.52 -0.08 2.67 0.00 -1.26 -0.40 121.76 122.86 1ywu s ALA 78 Ca -0.04 -0.00 -0.07 0.00 0.00 0.00 0.00 51.96 51.85 1ywu s ALA 78 Cb -0.03 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.43 1ywu s ALA 78 CO -0.00 -0.46 0.21 0.50 0.00 0.00 0.00 175.76 176.01 1ywu s ARG 79 N 2.01 0.23 3.99 0.00 3.52 -0.25 -5.01 118.95 123.44 1ywu s ARG 79 Ca 0.04 0.32 0.00 0.00 -0.13 0.00 0.00 55.73 55.96 1ywu s ARG 79 Cb -0.12 0.07 0.00 0.00 -1.56 0.00 0.00 34.95 33.34 1ywu s ARG 79 CO -0.04 -0.05 0.00 -0.25 -0.81 0.00 0.00 175.30 174.15 1ywu n ASP 80 N 3.19 0.00 -1.84 -2.12 8.00 -1.26 -0.40 116.55 122.12 1ywu n ASP 80 Ca -0.15 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.34 1ywu n ASP 80 Cb 0.58 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.74 1ywu n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ywu n GLY 81 N 0.00 2.68 2.91 0.44 0.00 -1.26 -4.61 105.19 105.35 1ywu n GLY 81 Ca 0.00 -1.24 -0.23 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.23 1.26 -0.12 0.99 1.43 0.47 -2.99 118.68 117.49 1ywu s LEU 82 Ca 0.35 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1ywu s LEU 82 Cb 0.37 -0.63 0.03 0.00 0.03 0.00 0.00 46.19 45.98 1ywu s LEU 82 CO -0.08 -0.07 -0.07 -0.76 0.23 0.00 0.00 176.35 175.60 1ywu s LEU 83 N 1.20 1.19 -0.28 1.79 1.02 0.44 -1.09 118.68 122.95 1ywu s LEU 83 Ca -0.06 -0.33 -0.10 0.00 0.02 0.00 0.00 54.13 53.66 1ywu s LEU 83 Cb -0.14 -0.82 -0.04 0.00 0.02 0.00 0.00 46.19 45.21 1ywu s LEU 83 CO -0.02 -0.13 0.17 -0.83 0.02 0.00 0.00 176.35 175.56 1ywu s GLY 84 N 1.72 1.90 -0.08 -3.19 0.00 0.46 -1.46 107.32 106.67 1ywu s GLY 84 Ca 0.04 -1.14 -0.03 0.00 0.00 0.00 0.00 44.72 43.60 1ywu s GLY 84 CO -0.08 0.64 0.04 -1.36 0.00 0.00 0.00 173.10 172.34 1ywu s PHE 85 N 1.72 3.27 0.17 1.90 0.40 0.22 -1.04 117.98 124.62 1ywu s PHE 85 Ca 0.07 0.27 -0.23 0.00 -0.60 0.00 0.00 56.93 56.44 1ywu s PHE 85 Cb -0.16 -1.81 -0.08 0.00 0.51 0.00 0.00 43.02 41.48 1ywu s PHE 85 CO 0.09 0.54 0.74 -1.83 0.70 0.00 0.00 175.22 175.46 1ywu s GLU 86 N -1.02 4.43 -0.51 0.44 -1.05 0.55 -1.05 118.70 120.49 1ywu s GLU 86 Ca 0.15 1.02 -0.24 0.00 -0.15 0.00 0.00 54.97 55.75 1ywu s GLU 86 Cb -0.12 -3.13 0.04 0.00 -0.44 0.00 0.00 34.13 30.48 1ywu s GLU 86 CO 0.04 0.52 0.90 0.00 0.95 0.00 0.00 175.26 177.67 1ywu h GLN 88 N 9.19 0.00 -2.90 0.00 4.20 -1.27 -3.44 115.11 120.89 1ywu h GLN 88 Ca -0.25 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 57.91 1ywu h GLN 88 Cb 1.08 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.46 1ywu h GLN 88 CO 1.05 0.97 -0.78 -1.58 -0.67 0.00 0.00 178.83 177.82 1ywu s HIS 89 N -2.23 0.66 -0.49 2.96 5.04 -0.45 -5.01 115.29 115.78 1ywu s HIS 89 Ca -0.20 -1.17 -0.19 0.00 -1.54 0.00 0.00 55.06 51.95 1ywu s HIS 89 Cb -0.01 -1.07 0.05 0.00 0.04 0.00 0.00 32.58 31.58 1ywu s HIS 89 CO 0.66 -0.84 0.61 0.42 -2.34 0.00 0.00 174.74 173.25 1ywu s ILE 90 N 1.83 4.88 0.78 0.89 1.01 -1.26 -0.79 121.20 128.54 1ywu s ILE 90 Ca 0.11 -0.37 -0.11 0.00 0.00 0.00 0.00 60.65 60.28 1ywu s ILE 90 Cb -0.17 -4.26 0.06 0.00 0.01 0.00 0.00 42.46 38.10 1ywu s ILE 90 CO -0.29 -0.74 1.09 -0.62 0.00 0.00 0.00 174.94 174.38 1ywu s ASP 91 N 2.49 4.47 0.31 3.58 2.15 -1.26 -4.78 116.67 123.63 1ywu s ASP 91 Ca 0.16 1.74 0.01 0.00 0.43 0.00 0.00 52.55 54.89 1ywu s ASP 91 Cb -0.18 -2.46 0.51 0.00 -0.30 0.00 0.00 42.92 40.49 1ywu s ASP 91 CO 0.13 -2.05 1.89 -0.07 -0.17 0.00 0.00 175.17 174.90 1ywu h LEU 92 N -1.14 0.69 -0.88 -1.34 4.07 -1.97 -0.04 115.31 114.71 1ywu h LEU 92 Ca -0.44 -0.10 -0.07 0.00 0.08 0.00 0.00 57.88 57.35 1ywu h LEU 92 Cb 1.24 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.77 1ywu h LEU 92 CO 0.53 0.65 0.05 -0.78 -1.08 0.00 0.00 178.44 177.81 1ywu h ASP 93 N 0.74 0.84 0.18 -0.43 3.58 -1.95 -0.35 116.42 119.03 1ywu h ASP 93 Ca 0.17 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 1ywu h ASP 93 Cb 0.20 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.03 1ywu h ASP 93 CO -0.01 0.87 -0.09 -1.28 -2.88 0.00 0.00 179.24 175.85 1ywu h SER 94 N 0.83 -0.21 -0.99 2.28 0.87 -1.46 -2.66 113.55 112.21 1ywu h SER 94 Ca 0.17 -0.13 0.04 0.00 -1.23 0.00 0.00 61.79 60.64 1ywu h SER 94 Cb 0.42 0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.38 1ywu h SER 94 CO 0.01 0.01 0.65 0.40 -0.53 0.00 0.00 176.83 177.37 1ywu h ILE 95 N -0.42 1.16 0.10 2.23 2.04 -0.88 -1.86 117.51 119.87 1ywu h ILE 95 Ca -0.03 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.43 1ywu h ILE 95 Cb 0.33 -0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.19 1ywu h ILE 95 CO 0.04 0.23 -0.20 0.28 0.00 0.00 0.00 178.15 178.49 1ywu h SER 96 N 1.24 -0.57 -0.21 1.72 0.02 -0.91 0.15 113.55 114.98 1ywu h SER 96 Ca 0.40 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.38 1ywu h SER 96 Cb 0.03 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1ywu h SER 96 CO -0.13 -0.29 -0.03 0.45 -1.14 0.00 0.00 176.83 175.69 1ywu h HIS 97 N -0.38 0.43 -0.21 3.45 3.86 -1.20 -1.59 115.15 119.52 1ywu h HIS 97 Ca 0.03 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 1ywu h HIS 97 Cb 0.41 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 1ywu h HIS 97 CO -0.20 0.62 0.09 1.25 0.86 0.00 0.00 177.93 180.55 1ywu h LEU 98 N 0.13 0.28 -0.59 2.43 5.85 -1.27 -2.70 115.31 119.44 1ywu h LEU 98 Ca 0.05 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1ywu h LEU 98 Cb 0.47 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1ywu h LEU 98 CO 0.02 0.35 0.35 -0.09 -0.34 0.00 0.00 178.44 178.73 1ywu h ARG 99 N 0.19 0.68 -0.18 1.25 9.65 -0.68 -0.85 114.38 124.43 1ywu h ARG 99 Ca 0.07 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 58.95 1ywu h ARG 99 Cb 0.15 -0.15 -0.05 0.00 -1.39 0.00 0.00 29.97 28.54 1ywu h ARG 99 CO -0.01 0.45 -0.10 0.00 2.80 0.00 0.00 179.97 183.11 1ywu h ARG 100 N 0.70 -0.09 -0.67 0.20 2.47 -1.13 -0.52 114.38 115.33 1ywu h ARG 100 Ca 0.24 0.01 -0.07 0.00 -1.26 0.00 0.00 59.98 58.90 1ywu h ARG 100 Cb 0.03 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.34 1ywu h ARG 100 CO -0.10 -0.06 0.16 1.25 0.56 0.00 0.00 179.97 181.78 1ywu h LEU 101 N -0.09 1.03 -0.40 3.04 5.85 -1.15 -1.46 115.31 122.12 1ywu h LEU 101 Ca 0.10 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.66 1ywu h LEU 101 Cb 0.25 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 1ywu h LEU 101 CO -0.24 0.99 0.01 0.58 -0.34 0.00 0.00 178.44 179.44 1ywu h VAL 102 N 1.01 0.71 -0.46 1.05 2.07 -0.61 0.22 116.25 120.24 1ywu h VAL 102 Ca 0.21 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.64 1ywu h VAL 102 Cb 0.37 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1ywu h VAL 102 CO 0.00 0.02 0.09 -0.33 0.02 0.00 0.00 177.57 177.37 1ywu h GLU 103 N 0.11 0.75 -0.20 1.57 5.08 -0.75 0.52 114.58 121.66 1ywu h GLU 103 Ca 0.20 -0.19 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1ywu h GLU 103 Cb 0.27 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1ywu h GLU 103 CO -0.32 0.76 -0.46 -0.07 -1.00 0.00 0.00 179.01 177.92 1ywu h LEU 104 N 0.62 0.54 -0.86 1.33 3.38 -0.84 -2.75 115.31 116.73 1ywu h LEU 104 Ca 0.14 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1ywu h LEU 104 Cb 0.36 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ywu h LEU 104 CO 0.01 0.92 0.00 0.59 0.09 0.00 0.00 178.44 180.05 1ywu n ASN 105 N -4.00 1.33 -3.34 -0.43 5.03 0.74 -4.92 115.26 109.68 1ywu n ASN 105 Ca -0.02 -1.47 -0.21 0.00 0.87 0.00 0.00 54.58 53.74 1ywu n ASN 105 Cb 0.54 -0.02 0.07 0.00 -1.02 0.00 0.00 39.78 39.36 1ywu n ASN 105 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1ywu n LEU 106 N 0.05 -3.35 -4.57 3.41 7.94 -0.44 -4.91 117.00 115.13 1ywu n LEU 106 Ca 0.19 -0.50 -0.41 0.00 -1.11 0.00 0.00 56.01 54.18 1ywu n LEU 106 Cb 0.32 -2.84 -0.03 0.00 0.53 0.00 0.00 43.42 41.40 1ywu n LEU 106 CO 0.16 0.58 1.40 -0.83 -1.11 0.00 0.00 177.39 177.59 1ywu s GLY 107 N -3.38 0.63 0.09 -3.96 0.00 0.17 -4.95 107.32 95.92 1ywu s GLY 107 Ca 0.49 -0.64 -0.36 0.00 0.00 0.00 0.00 44.72 44.20 1ywu s GLY 107 CO 0.67 3.05 1.39 1.34 0.00 0.00 0.00 173.10 179.56 1ywu n ASP 108 N 10.76 1.91 0.00 1.64 -0.08 -1.26 -4.76 116.55 124.76 1ywu n ASP 108 Ca 0.15 1.11 0.08 0.00 -1.51 0.00 0.00 54.79 54.62 1ywu n ASP 108 Cb 0.50 -1.23 0.35 0.00 2.34 0.00 0.00 41.12 43.08 1ywu n ASP 108 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1ywu n GLU 109 N 2.76 0.01 -0.06 -0.67 1.02 -1.26 -3.51 120.64 118.93 1ywu n GLU 109 Ca 0.18 0.22 -0.08 0.00 -0.02 0.00 0.00 57.16 57.46 1ywu n GLU 109 Cb 0.21 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 1ywu n GLU 109 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1ywu h GLU 110 N 0.00 -0.25 -0.52 3.49 4.22 -1.93 -0.21 114.58 119.37 1ywu h GLU 110 Ca 0.00 0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.48 1ywu h GLU 110 Cb 0.27 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1ywu h GLU 110 CO 0.00 -0.17 0.31 -0.07 -2.18 0.00 0.00 179.01 176.90 1ywu h LEU 111 N -0.26 0.51 -1.87 1.64 3.38 -1.96 -1.68 115.31 115.06 1ywu h LEU 111 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1ywu h LEU 111 Cb 0.49 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1ywu h LEU 111 CO -0.42 0.36 -0.07 -0.07 0.09 0.00 0.00 178.44 178.33 1ywu h LEU 112 N 0.63 0.00 -2.98 1.67 3.38 -1.55 -3.11 115.31 113.35 1ywu h LEU 112 Ca 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1ywu h LEU 112 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1ywu h LEU 112 CO -0.09 0.07 -0.34 1.21 0.09 0.00 0.00 178.44 179.38 1ywu n GLU 113 N -3.32 1.40 0.00 1.13 2.13 -0.17 -3.09 120.64 118.72 1ywu n GLU 113 Ca -0.01 -2.97 0.00 0.00 0.66 0.00 0.00 57.16 54.84 1ywu n GLU 113 Cb 0.25 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.46 1ywu n GLU 113 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1ywu n ARG 114 N -1.16 0.00 -3.54 5.31 0.63 -0.82 -4.97 116.66 112.10 1ywu n ARG 114 Ca 0.17 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 57.02 1ywu n ARG 114 Cb 0.69 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.57 1ywu n ARG 114 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1ywu s GLU 115 N 0.68 0.66 0.13 -0.14 -6.30 -1.26 -4.95 118.70 107.52 1ywu s GLU 115 Ca 0.00 -0.16 -0.18 0.00 -2.50 0.00 0.00 54.97 52.12 1ywu s GLU 115 Cb 0.00 0.30 -0.03 0.00 0.00 0.00 0.00 34.13 34.40 1ywu s GLU 115 CO 0.00 -0.27 1.79 1.25 0.02 0.00 0.00 175.26 178.04 1ywu h LEU 116 N 2.12 0.29 -0.36 2.70 5.85 -1.92 1.00 115.31 124.99 1ywu h LEU 116 Ca -0.18 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1ywu h LEU 116 Cb 1.21 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1ywu h LEU 116 CO 0.29 0.21 0.00 0.00 -0.34 0.00 0.00 178.44 178.60 1ywu n ALA 117 N -2.18 1.70 1.06 1.25 0.00 -1.26 -1.58 120.51 119.51 1ywu n ALA 117 Ca -0.02 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.56 1ywu n ALA 117 Cb 0.03 -1.33 0.09 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.90 1.49 -4.86 0.00 4.77 -0.37 -4.95 117.00 111.18 1ywu n LEU 118 Ca 0.03 -0.53 -0.23 0.00 -0.03 0.00 0.00 56.01 55.25 1ywu n LEU 118 Cb 0.21 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 1ywu n LEU 118 CO 0.18 0.29 -0.15 -0.76 -1.33 0.00 0.00 177.39 175.62 1ywu s LEU 119 N -2.62 3.96 -0.02 2.23 1.02 0.20 -4.76 118.68 118.69 1ywu s LEU 119 Ca 0.18 -0.13 -0.18 0.00 0.02 0.00 0.00 54.13 54.02 1ywu s LEU 119 Cb 0.18 -2.51 0.03 0.00 0.02 0.00 0.00 46.19 43.92 1ywu s LEU 119 CO 0.62 -0.02 0.38 0.54 0.02 0.00 0.00 176.35 177.90 1ywu s VAL 120 N -2.00 0.05 1.10 -1.59 0.11 -1.26 -4.95 120.40 111.86 1ywu s VAL 120 Ca 0.33 -0.38 -0.15 0.00 -2.93 0.00 0.00 61.98 58.85 1ywu s VAL 120 Cb -0.09 -0.69 0.24 0.00 -1.53 0.00 0.00 36.38 34.31 1ywu s VAL 120 CO 0.26 -0.21 1.08 -0.44 -3.33 0.00 0.00 175.10 172.46 1ywu s SER 121 N -1.31 1.73 0.57 3.54 0.01 -1.26 -4.87 113.70 112.11 1ywu s SER 121 Ca -0.13 1.05 0.32 0.00 1.31 0.00 0.00 55.95 58.50 1ywu s SER 121 Cb -0.04 -1.62 1.43 0.00 0.21 0.00 0.00 66.02 66.00 1ywu s SER 121 CO 0.05 -3.67 1.77 0.00 0.41 0.00 0.00 173.24 171.80 1ywu h ALA 122 N -2.27 2.71 -1.19 1.44 0.00 -1.98 -3.15 119.26 114.82 1ywu h ALA 122 Ca -0.53 -0.03 -0.73 0.00 0.00 0.00 0.00 54.91 53.62 1ywu h ALA 122 Cb 1.33 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 19.04 1ywu h ALA 122 CO 0.50 -1.19 1.83 1.58 0.00 0.00 0.00 179.25 181.97 1ywu n HIS 123 N -3.85 4.24 0.27 0.00 -0.00 -1.26 -4.14 115.22 110.47 1ywu n HIS 123 Ca 0.18 -3.09 0.03 0.00 -0.00 0.00 0.00 57.72 54.84 1ywu n HIS 123 Cb 1.04 -2.22 0.01 0.00 -0.00 0.00 0.00 29.99 28.82 1ywu n HIS 123 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1ywu n ASP 124 N 5.62 1.14 -0.41 0.26 5.75 -1.19 -5.10 116.55 122.61 1ywu n ASP 124 Ca 0.41 -1.07 0.05 0.00 -0.01 0.00 0.00 54.79 54.17 1ywu n ASP 124 Cb 0.41 0.31 0.04 0.00 -1.03 0.00 0.00 41.12 40.85 1ywu n ASP 124 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42