#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yt8 s SER 2 N 0.00 5.01 0.31 1.61 0.01 -1.26 -5.05 113.70 114.33 2yt8 s SER 2 Ca 0.00 0.05 -0.29 0.00 1.31 0.00 0.00 55.95 57.02 2yt8 s SER 2 Cb 0.00 -0.80 -0.10 0.00 0.21 0.00 0.00 66.02 65.33 2yt8 s SER 2 CO 0.00 -1.37 1.24 -0.55 0.41 0.00 0.00 173.24 172.97 2yt8 s SER 3 N -4.50 6.94 0.00 2.44 0.15 -1.26 -4.92 113.70 112.55 2yt8 s SER 3 Ca 0.59 2.55 0.00 0.00 0.70 0.00 0.00 55.95 59.79 2yt8 s SER 3 Cb -0.10 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 2yt8 s SER 3 CO 0.41 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 175.05 2yt8 n GLY 4 N 0.97 2.00 2.48 9.45 0.00 -1.26 -5.04 105.19 113.79 2yt8 n GLY 4 Ca -0.00 0.28 -0.11 0.00 0.00 0.00 0.00 46.02 46.18 2yt8 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yt8 n SER 5 N 0.00 -3.40 -4.23 1.61 2.88 -1.26 -4.99 113.62 104.22 2yt8 n SER 5 Ca 0.00 -0.30 -0.42 0.00 -1.33 0.00 0.00 58.87 56.81 2yt8 n SER 5 Cb 0.00 -2.92 -0.06 0.00 -0.75 0.00 0.00 64.21 60.47 2yt8 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yt8 s SER 6 N -3.39 5.96 0.00 -3.46 0.15 -1.26 -4.89 113.70 106.81 2yt8 s SER 6 Ca 0.19 -2.29 0.00 0.00 0.70 0.00 0.00 55.95 54.55 2yt8 s SER 6 Cb -0.08 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 2yt8 s SER 6 CO 0.39 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2yt8 n GLY 7 N 4.43 0.44 3.68 9.45 0.00 -1.26 -5.06 105.19 116.86 2yt8 n GLY 7 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2yt8 n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yt8 s VAL 8 N 0.00 4.80 -0.16 1.61 1.01 -1.26 -4.95 120.40 121.46 2yt8 s VAL 8 Ca 0.00 1.88 -0.24 0.00 0.00 0.00 0.00 61.98 63.63 2yt8 s VAL 8 Cb 0.00 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.11 2yt8 s VAL 8 CO 0.00 -0.02 0.75 -0.89 0.00 0.00 0.00 175.10 174.94 2yt8 s THR 9 N 2.25 4.95 -0.02 3.92 2.01 -1.06 -5.01 115.64 122.69 2yt8 s THR 9 Ca 0.44 1.47 0.02 0.00 0.31 0.00 0.00 61.69 63.93 2yt8 s THR 9 Cb -0.17 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 2yt8 s THR 9 CO 0.14 0.10 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.20 2yt8 s THR 10 N 1.81 3.66 0.09 -0.82 2.01 -1.26 -1.24 115.64 119.89 2yt8 s THR 10 Ca 0.35 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.72 2yt8 s THR 10 Cb -0.17 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 2yt8 s THR 10 CO 0.13 0.48 -0.09 0.00 -0.69 0.00 0.00 174.62 174.44 2yt8 s ALA 11 N -0.92 1.05 -0.16 7.40 0.00 -0.83 -4.92 121.76 123.38 2yt8 s ALA 11 Ca 0.15 -1.17 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 2yt8 s ALA 11 Cb -0.11 0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.09 2yt8 s ALA 11 CO 0.05 -0.06 -0.07 0.42 0.00 0.00 0.00 175.76 176.10 2yt8 s ILE 12 N -2.49 1.25 -0.18 0.00 -1.09 -1.23 -1.68 121.20 115.79 2yt8 s ILE 12 Ca 0.05 -0.66 -0.09 0.00 -2.23 0.00 0.00 60.65 57.72 2yt8 s ILE 12 Cb -0.03 -1.36 -0.05 0.00 -1.58 0.00 0.00 42.46 39.45 2yt8 s ILE 12 CO -0.00 0.20 0.12 -0.63 -1.23 0.00 0.00 174.94 173.40 2yt8 s ILE 13 N 1.58 5.33 -0.58 2.92 -1.09 -0.64 -3.92 121.20 124.80 2yt8 s ILE 13 Ca 0.01 0.16 -0.18 0.00 -2.23 0.00 0.00 60.65 58.41 2yt8 s ILE 13 Cb -0.15 -3.40 0.11 0.00 -1.58 0.00 0.00 42.46 37.43 2yt8 s ILE 13 CO -0.08 0.48 0.67 -1.00 -1.23 0.00 0.00 174.94 173.78 2yt8 s HIS 14 N 0.05 3.04 -0.87 3.97 3.76 -1.26 -1.32 115.29 122.66 2yt8 s HIS 14 Ca 0.09 -1.00 -0.05 0.00 -0.15 0.00 0.00 55.06 53.94 2yt8 s HIS 14 Cb -0.11 -3.97 0.22 0.00 1.11 0.00 0.00 32.58 29.82 2yt8 s HIS 14 CO -0.00 -1.25 0.77 1.03 -0.85 0.00 0.00 174.74 174.44 2yt8 s ARG 15 N 2.52 3.36 0.34 1.40 0.52 0.62 -4.88 118.95 122.82 2yt8 s ARG 15 Ca 0.10 -2.99 0.13 0.00 -0.52 0.00 0.00 55.73 52.45 2yt8 s ARG 15 Cb -0.25 -4.10 0.60 0.00 0.52 0.00 0.00 34.95 31.73 2yt8 s ARG 15 CO 0.06 -1.24 1.74 -1.00 0.02 0.00 0.00 175.30 174.88 2yt8 h PRO 16 N 6.61 0.00 -5.94 3.54 0.13 -1.94 0.95 132.00 135.36 2yt8 h PRO 16 Ca 0.12 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.66 2yt8 h PRO 16 Cb 0.89 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.72 2yt8 h PRO 16 CO 0.84 0.46 -0.85 -1.58 -0.23 0.00 0.00 178.00 176.64 2yt8 s HIS 17 N -3.91 1.80 0.08 1.56 2.46 -1.26 -4.75 115.29 111.26 2yt8 s HIS 17 Ca -0.02 -0.34 0.06 0.00 0.47 0.00 0.00 55.06 55.23 2yt8 s HIS 17 Cb 0.13 -1.16 -0.23 0.00 -0.13 0.00 0.00 32.58 31.20 2yt8 s HIS 17 CO 0.73 -0.03 1.14 0.00 -2.47 0.00 0.00 174.74 174.10 2yt8 h ALA 18 N 5.66 0.38 -0.18 1.58 0.00 -1.93 -3.27 119.26 121.50 2yt8 h ALA 18 Ca -0.38 -1.01 -0.09 0.00 0.00 0.00 0.00 54.91 53.43 2yt8 h ALA 18 Cb 1.14 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 2yt8 h ALA 18 CO 0.48 1.27 0.11 0.54 0.00 0.00 0.00 179.25 181.65 2yt8 n ARG 19 N -3.33 1.28 -5.27 0.00 1.74 -1.26 -4.81 116.66 105.01 2yt8 n ARG 19 Ca -0.05 -0.57 -0.31 0.00 -0.77 0.00 0.00 57.85 56.15 2yt8 n ARG 19 Cb 0.97 -1.26 -0.16 0.00 -1.02 0.00 0.00 32.46 30.99 2yt8 n ARG 19 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2yt8 s GLU 20 N -0.68 2.33 1.22 5.56 0.41 -1.24 -5.13 118.70 121.18 2yt8 s GLU 20 Ca 0.11 -0.91 -0.17 0.00 -0.41 0.00 0.00 54.97 53.59 2yt8 s GLU 20 Cb 0.09 -2.09 0.26 0.00 -1.78 0.00 0.00 34.13 30.61 2yt8 s GLU 20 CO 0.02 0.46 0.63 1.04 -0.49 0.00 0.00 175.26 176.93 2yt8 n GLN 21 N 2.72 -2.86 -0.06 1.61 1.13 -1.26 -5.01 117.38 113.64 2yt8 n GLN 21 Ca -0.17 -0.83 -0.10 0.00 -1.94 0.00 0.00 57.00 53.96 2yt8 n GLN 21 Cb 0.52 -1.91 -0.03 0.00 0.11 0.00 0.00 30.24 28.92 2yt8 n GLN 21 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2yt8 n LEU 22 N -3.92 1.66 0.00 1.08 4.77 -1.26 -5.05 117.00 114.27 2yt8 n LEU 22 Ca 0.05 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2yt8 n LEU 22 Cb 0.56 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2yt8 n LEU 22 CO 0.49 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2yt8 n GLY 23 N 1.93 2.81 3.64 -0.72 0.00 -1.26 -4.38 105.19 107.21 2yt8 n GLY 23 Ca -0.17 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 2yt8 n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2yt8 s PHE 24 N -0.41 3.32 -0.00 1.61 -0.12 -1.26 0.22 117.98 121.34 2yt8 s PHE 24 Ca 0.00 0.63 -0.23 0.00 -0.05 0.00 0.00 56.93 57.28 2yt8 s PHE 24 Cb 0.00 -2.63 -0.05 0.00 -0.63 0.00 0.00 43.02 39.71 2yt8 s PHE 24 CO 0.00 -0.15 0.68 0.00 -0.05 0.00 0.00 175.22 175.71 2yt8 s VAL 26 N 0.10 1.85 -0.08 0.00 1.01 -1.26 -1.13 120.40 120.89 2yt8 s VAL 26 Ca 0.35 -1.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 2yt8 s VAL 26 Cb -0.19 -1.59 0.05 0.00 0.00 0.00 0.00 36.38 34.65 2yt8 s VAL 26 CO 0.20 0.30 0.16 -1.83 0.00 0.00 0.00 175.10 173.92 2yt8 s GLU 27 N -1.12 0.04 -1.61 2.72 -1.05 0.49 -4.84 118.70 113.34 2yt8 s GLU 27 Ca 0.09 0.52 0.00 0.00 -0.15 0.00 0.00 54.97 55.43 2yt8 s GLU 27 Cb -0.09 -0.26 0.00 0.00 -0.44 0.00 0.00 34.13 33.34 2yt8 s GLU 27 CO 0.02 -0.28 0.00 -0.25 0.95 0.00 0.00 175.26 175.70 2yt8 n ASP 28 N 5.08 -4.98 0.00 0.83 8.00 -1.26 -0.59 116.55 123.63 2yt8 n ASP 28 Ca -0.09 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.58 2yt8 n ASP 28 Cb 0.50 -4.25 0.00 0.00 -0.02 0.00 0.00 41.12 37.35 2yt8 n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2yt8 n GLY 29 N -0.75 0.56 2.70 0.44 0.00 -1.26 -4.99 105.19 101.89 2yt8 n GLY 29 Ca -0.20 -0.83 -0.20 0.00 0.00 0.00 0.00 46.02 44.79 2yt8 n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yt8 s ILE 30 N -2.00 -0.01 0.41 -0.61 1.01 0.24 -2.12 121.20 118.11 2yt8 s ILE 30 Ca 0.00 0.35 -0.26 0.00 0.00 0.00 0.00 60.65 60.74 2yt8 s ILE 30 Cb 0.00 -0.21 -0.08 0.00 0.01 0.00 0.00 42.46 42.17 2yt8 s ILE 30 CO 0.00 0.18 1.24 -0.63 0.00 0.00 0.00 174.94 175.73 2yt8 s ILE 31 N 2.01 2.86 0.06 2.92 1.01 -1.24 -0.38 121.20 128.44 2yt8 s ILE 31 Ca 0.03 0.74 -0.02 0.00 0.00 0.00 0.00 60.65 61.40 2yt8 s ILE 31 Cb -0.12 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 2yt8 s ILE 31 CO -0.03 0.09 -0.05 0.00 0.00 0.00 0.00 174.94 174.95 2yt8 s SER 33 N -5.99 4.07 -0.03 0.00 0.01 -1.25 -4.62 113.70 105.88 2yt8 s SER 33 Ca -0.04 -0.92 0.01 0.00 1.31 0.00 0.00 55.95 56.31 2yt8 s SER 33 Cb 0.01 -0.53 0.02 0.00 0.21 0.00 0.00 66.02 65.72 2yt8 s SER 33 CO 0.06 -0.08 -0.04 -0.22 0.41 0.00 0.00 173.24 173.37 2yt8 s LEU 34 N -3.63 1.44 -0.61 2.44 0.20 -1.26 -1.07 118.68 116.19 2yt8 s LEU 34 Ca 0.32 -0.10 -0.27 0.00 0.69 0.00 0.00 54.13 54.78 2yt8 s LEU 34 Cb -0.03 -0.36 -0.02 0.00 -0.43 0.00 0.00 46.19 45.34 2yt8 s LEU 34 CO 0.18 -0.04 1.85 -0.22 -0.29 0.00 0.00 176.35 177.84 2yt8 s LEU 35 N 0.71 3.29 0.10 -0.68 2.96 0.13 -4.93 118.68 120.25 2yt8 s LEU 35 Ca -0.09 0.33 -0.31 0.00 -0.22 0.00 0.00 54.13 53.85 2yt8 s LEU 35 Cb -0.12 -2.53 -0.10 0.00 0.50 0.00 0.00 46.19 43.94 2yt8 s LEU 35 CO -0.00 -2.37 1.90 -0.60 -1.32 0.00 0.00 176.35 173.95 2yt8 s ARG 36 N 7.02 4.13 0.00 1.98 3.52 -1.26 -2.38 118.95 131.96 2yt8 s ARG 36 Ca 0.67 2.63 0.00 0.00 -0.13 0.00 0.00 55.73 58.89 2yt8 s ARG 36 Cb -0.13 -3.81 0.00 0.00 -1.56 0.00 0.00 34.95 29.45 2yt8 s ARG 36 CO 0.21 -0.89 0.00 0.41 -0.81 0.00 0.00 175.30 174.21 2yt8 n GLY 37 N 4.37 1.38 0.00 8.12 0.00 -1.26 -5.08 105.19 112.73 2yt8 n GLY 37 Ca 0.19 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2yt8 n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yt8 n GLY 38 N -1.04 5.27 0.12 -0.02 0.00 -1.00 -5.09 105.19 103.43 2yt8 n GLY 38 Ca 0.00 -1.52 -0.25 0.00 0.00 0.00 0.00 46.02 44.25 2yt8 n GLY 38 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2yt8 n ILE 39 N 0.00 1.53 -0.33 -0.61 5.41 -1.26 -4.17 119.36 119.92 2yt8 n ILE 39 Ca 0.00 -0.21 -0.08 0.00 1.00 0.00 0.00 62.75 63.46 2yt8 n ILE 39 Cb 0.00 -1.97 -0.07 0.00 -0.71 0.00 0.00 39.64 36.89 2yt8 n ILE 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2yt8 n ALA 40 N -3.90 -0.48 -0.24 -1.39 0.00 -1.26 0.12 120.51 113.35 2yt8 n ALA 40 Ca -0.43 0.68 0.03 0.00 0.00 0.00 0.00 53.44 53.71 2yt8 n ALA 40 Cb 0.78 -0.13 0.15 0.00 0.00 0.00 0.00 19.45 20.25 2yt8 n ALA 40 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2yt8 h GLU 41 N 0.00 0.46 0.43 0.00 4.81 -1.82 0.20 114.58 118.67 2yt8 h GLU 41 Ca 0.14 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2yt8 h GLU 41 Cb 0.34 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2yt8 h GLU 41 CO -0.75 0.31 -0.22 0.00 -0.73 0.00 0.00 179.01 177.62 2yt8 h ARG 42 N 0.48 -0.58 -0.97 1.92 3.08 0.70 -2.94 114.38 116.07 2yt8 h ARG 42 Ca 0.37 0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.47 2yt8 h ARG 42 Cb 0.48 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.61 2yt8 h ARG 42 CO -0.34 -0.39 0.64 0.78 -1.07 0.00 0.00 179.97 179.59 2yt8 h GLY 43 N -0.60 1.37 0.00 0.04 0.00 -0.14 -3.47 103.07 100.28 2yt8 h GLY 43 Ca -0.05 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.78 2yt8 h GLY 43 CO 0.08 0.47 0.00 0.61 0.00 0.00 0.00 176.54 177.70 2yt8 n GLY 44 N -1.37 1.64 3.71 4.60 0.00 0.49 -3.49 105.19 110.78 2yt8 n GLY 44 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2yt8 n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yt8 s ILE 45 N -1.75 4.00 -0.22 -0.61 -1.09 0.11 -4.76 121.20 116.88 2yt8 s ILE 45 Ca 0.00 1.44 0.01 0.00 -2.23 0.00 0.00 60.65 59.87 2yt8 s ILE 45 Cb 0.00 -3.92 0.05 0.00 -1.58 0.00 0.00 42.46 37.01 2yt8 s ILE 45 CO 0.00 0.11 -0.10 -0.13 -1.23 0.00 0.00 174.94 173.59 2yt8 s ARG 46 N 1.04 2.08 0.65 2.79 1.81 -1.26 -4.62 118.95 121.43 2yt8 s ARG 46 Ca 0.59 -1.00 -0.17 0.00 -1.72 0.00 0.00 55.73 53.42 2yt8 s ARG 46 Cb -0.30 -2.59 -0.03 0.00 -0.45 0.00 0.00 34.95 31.59 2yt8 s ARG 46 CO 0.29 -0.48 0.95 1.33 -0.68 0.00 0.00 175.30 176.71 2yt8 n VAL 47 N 4.61 3.48 0.00 3.52 0.24 -1.26 -2.59 118.33 126.33 2yt8 n VAL 47 Ca -0.14 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 2yt8 n VAL 47 Cb 0.45 -1.12 0.00 0.00 -1.47 0.00 0.00 33.84 31.70 2yt8 n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2yt8 n GLY 48 N 1.25 2.98 3.72 7.63 0.00 0.13 -4.95 105.19 115.94 2yt8 n GLY 48 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2yt8 n GLY 48 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2yt8 s HIS 49 N -2.04 3.49 0.02 1.61 3.76 -1.07 -4.49 115.29 116.57 2yt8 s HIS 49 Ca 0.00 1.40 -0.26 0.00 -0.15 0.00 0.00 55.06 56.05 2yt8 s HIS 49 Cb 0.00 -3.37 -0.05 0.00 1.11 0.00 0.00 32.58 30.28 2yt8 s HIS 49 CO 0.00 -1.03 0.79 0.50 -0.85 0.00 0.00 174.74 174.15 2yt8 s ARG 50 N 0.75 4.50 0.33 1.40 6.06 0.62 -3.63 118.95 128.98 2yt8 s ARG 50 Ca 0.56 1.09 -0.27 0.00 -2.50 0.00 0.00 55.73 54.61 2yt8 s ARG 50 Cb -0.29 -3.39 -0.09 0.00 0.06 0.00 0.00 34.95 31.24 2yt8 s ARG 50 CO 0.30 0.20 1.05 0.42 -2.50 0.00 0.00 175.30 174.78 2yt8 s ILE 51 N 0.23 3.69 0.00 4.11 -1.09 -0.90 -0.71 121.20 126.52 2yt8 s ILE 51 Ca 0.40 1.50 0.00 0.00 -2.23 0.00 0.00 60.65 60.32 2yt8 s ILE 51 Cb -0.20 -3.87 0.00 0.00 -1.58 0.00 0.00 42.46 36.81 2yt8 s ILE 51 CO 0.23 0.20 0.00 2.30 -1.23 0.00 0.00 174.94 176.44 2yt8 n ILE 52 N 0.62 0.00 -3.68 2.92 -5.35 -1.12 -4.33 119.36 108.42 2yt8 n ILE 52 Ca 0.02 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.40 2yt8 n ILE 52 Cb 0.47 -0.56 -0.10 0.00 -1.74 0.00 0.00 39.64 37.72 2yt8 n ILE 52 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2yt8 s GLU 53 N -1.65 0.50 0.04 6.28 2.12 -1.25 -2.37 118.70 122.36 2yt8 s GLU 53 Ca 0.00 0.89 0.07 0.00 0.36 0.00 0.00 54.97 56.29 2yt8 s GLU 53 Cb 0.00 0.06 -0.02 0.00 0.26 0.00 0.00 34.13 34.42 2yt8 s GLU 53 CO 0.00 -0.15 -0.22 0.96 -0.54 0.00 0.00 175.26 175.32 2yt8 s ILE 54 N 1.32 1.73 0.00 -3.70 -5.25 0.16 -0.67 121.20 114.80 2yt8 s ILE 54 Ca -0.09 -1.19 0.00 0.00 -0.99 0.00 0.00 60.65 58.39 2yt8 s ILE 54 Cb -0.07 -1.49 0.00 0.00 2.95 0.00 0.00 42.46 43.85 2yt8 s ILE 54 CO -0.13 0.26 0.00 0.59 -1.79 0.00 0.00 174.94 173.88 2yt8 n ASN 55 N 1.93 -0.82 -0.79 4.36 3.02 0.28 0.20 115.26 123.44 2yt8 n ASN 55 Ca -0.17 0.41 -0.01 0.00 -0.03 0.00 0.00 54.58 54.78 2yt8 n ASN 55 Cb 0.53 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 2yt8 n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yt8 n GLY 56 N -0.41 0.75 3.02 7.41 0.00 -1.26 -4.92 105.19 109.79 2yt8 n GLY 56 Ca 0.00 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 2yt8 n GLY 56 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yt8 s GLN 57 N -4.82 0.17 0.04 1.61 -1.52 0.52 -5.12 119.66 110.54 2yt8 s GLN 57 Ca 0.03 0.48 -0.30 0.00 -1.95 0.00 0.00 55.36 53.61 2yt8 s GLN 57 Cb -0.01 -0.14 -0.08 0.00 -0.22 0.00 0.00 33.01 32.57 2yt8 s GLN 57 CO 0.04 -0.16 1.69 -1.54 -0.25 0.00 0.00 175.29 175.07 2yt8 s SER 58 N 1.22 6.60 0.00 5.90 1.04 -1.26 -0.66 113.70 126.54 2yt8 s SER 58 Ca -0.09 2.45 0.00 0.00 0.48 0.00 0.00 55.95 58.79 2yt8 s SER 58 Cb -0.11 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2yt8 s SER 58 CO -0.08 -0.92 0.00 1.33 0.98 0.00 0.00 173.24 174.55 2yt8 n VAL 59 N 5.01 0.00 -0.06 5.02 0.24 -1.00 -4.44 118.33 123.10 2yt8 n VAL 59 Ca 0.17 -0.34 0.24 0.00 -2.04 0.00 0.00 64.34 62.36 2yt8 n VAL 59 Cb 0.41 0.86 0.54 0.00 -1.47 0.00 0.00 33.84 34.18 2yt8 n VAL 59 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 2yt8 h VAL 60 N 0.00 0.12 0.00 3.34 3.04 -1.74 -0.68 116.25 120.33 2yt8 h VAL 60 Ca 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.58 2yt8 h VAL 60 Cb 0.00 0.24 -0.02 0.00 -2.01 0.00 0.00 31.29 29.50 2yt8 h VAL 60 CO 0.00 0.00 -1.43 0.00 -1.01 0.00 0.00 177.57 175.13 2yt8 n ALA 61 N -2.22 1.84 -1.56 3.17 0.00 -1.26 -5.04 120.51 115.44 2yt8 n ALA 61 Ca 0.16 -0.36 -0.46 0.00 0.00 0.00 0.00 53.44 52.78 2yt8 n ALA 61 Cb 1.16 0.22 -0.02 0.00 0.00 0.00 0.00 19.45 20.81 2yt8 n ALA 61 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2yt8 n THR 62 N -2.47 1.84 -2.23 0.00 -1.04 -0.26 -4.89 114.28 105.23 2yt8 n THR 62 Ca -0.12 -0.46 -0.41 0.00 -2.04 0.00 0.00 64.05 61.02 2yt8 n THR 62 Cb 0.67 -0.81 -0.03 0.00 -1.82 0.00 0.00 70.33 68.34 2yt8 n THR 62 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2yt8 s PRO 63 N -1.30 4.39 0.19 -2.82 0.04 -1.26 -4.78 135.00 129.47 2yt8 s PRO 63 Ca 0.62 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 63.57 2yt8 s PRO 63 Cb -0.76 -3.20 0.21 0.00 0.04 0.00 0.00 34.50 30.80 2yt8 s PRO 63 CO 0.58 -0.24 1.25 1.58 0.04 0.00 0.00 177.00 180.21 2yt8 n HIS 64 N 2.61 0.05 -0.36 0.56 -0.00 -1.26 0.57 115.22 117.39 2yt8 n HIS 64 Ca 0.06 0.99 0.03 0.00 -0.00 0.00 0.00 57.72 58.80 2yt8 n HIS 64 Cb 0.43 -0.82 0.10 0.00 -0.00 0.00 0.00 29.99 29.70 2yt8 n HIS 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2yt8 n ALA 65 N -3.59 0.10 -0.05 1.57 0.00 -1.26 -0.30 120.51 116.98 2yt8 n ALA 65 Ca 0.09 1.03 -0.13 0.00 0.00 0.00 0.00 53.44 54.43 2yt8 n ALA 65 Cb 0.33 -0.56 -0.07 0.00 0.00 0.00 0.00 19.45 19.14 2yt8 n ALA 65 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2yt8 h ARG 66 N 0.00 0.30 -0.92 0.00 9.65 -0.24 -2.97 114.38 120.20 2yt8 h ARG 66 Ca 0.42 -0.16 0.24 0.00 -1.10 0.00 0.00 59.98 59.38 2yt8 h ARG 66 Cb 0.66 0.00 -0.13 0.00 -1.39 0.00 0.00 29.97 29.12 2yt8 h ARG 66 CO -0.99 0.70 0.41 0.82 2.80 0.00 0.00 179.97 183.70 2yt8 h ILE 67 N -0.09 0.43 -0.53 1.20 2.04 0.45 0.29 117.51 121.31 2yt8 h ILE 67 Ca 0.02 -0.13 -0.11 0.00 1.00 0.00 0.00 64.86 65.64 2yt8 h ILE 67 Cb 0.64 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2yt8 h ILE 67 CO 0.03 0.07 -0.11 0.40 0.00 0.00 0.00 178.15 178.54 2yt8 h ILE 68 N 0.37 1.27 -0.42 -0.67 1.08 -0.92 -2.30 117.51 115.92 2yt8 h ILE 68 Ca 0.59 -1.26 -0.04 0.00 -0.39 0.00 0.00 64.86 63.76 2yt8 h ILE 68 Cb 1.17 1.00 -0.02 0.00 -3.07 0.00 0.00 36.82 35.90 2yt8 h ILE 68 CO -0.56 0.44 0.12 -0.33 -0.69 0.00 0.00 178.15 177.14 2yt8 h GLU 69 N 0.87 0.66 0.20 2.37 5.08 -0.39 -2.28 114.58 121.10 2yt8 h GLU 69 Ca 0.14 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2yt8 h GLU 69 Cb 0.68 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2yt8 h GLU 69 CO 0.05 0.66 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.55 2yt8 h LEU 70 N 0.54 -0.22 -0.96 1.33 3.38 -0.79 0.16 115.31 118.75 2yt8 h LEU 70 Ca 0.14 0.01 0.28 0.00 0.09 0.00 0.00 57.88 58.40 2yt8 h LEU 70 Cb 0.28 0.06 -0.17 0.00 0.09 0.00 0.00 40.66 40.91 2yt8 h LEU 70 CO -0.00 -0.15 0.17 -0.07 0.09 0.00 0.00 178.44 178.47 2yt8 h LEU 71 N -0.28 -0.22 0.04 1.67 3.38 -1.50 0.29 115.31 118.70 2yt8 h LEU 71 Ca -0.03 0.25 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 2yt8 h LEU 71 Cb 0.20 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2yt8 h LEU 71 CO 0.04 -0.32 -0.02 0.74 0.09 0.00 0.00 178.44 178.98 2yt8 h THR 72 N 0.06 1.14 -0.67 0.22 2.02 -1.33 -2.93 112.91 111.42 2yt8 h THR 72 Ca 0.63 -0.60 0.09 0.00 0.77 0.00 0.00 66.41 67.30 2yt8 h THR 72 Cb 1.36 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 69.27 2yt8 h THR 72 CO -0.82 0.15 0.44 -0.33 0.37 0.00 0.00 175.52 175.33 2yt8 h GLU 73 N -0.32 0.54 -6.54 6.66 4.39 0.25 -3.41 114.58 116.14 2yt8 h GLU 73 Ca -0.01 -0.03 -0.53 0.00 0.34 0.00 0.00 59.36 59.14 2yt8 h GLU 73 Cb 0.29 -0.12 0.04 0.00 -0.10 0.00 0.00 28.75 28.86 2yt8 h GLU 73 CO 0.01 0.35 1.06 0.00 -1.16 0.00 0.00 179.01 179.27 2yt8 s ALA 74 N -5.51 3.79 0.44 3.43 0.00 0.50 -5.00 121.76 119.41 2yt8 s ALA 74 Ca -0.09 1.44 0.06 0.00 0.00 0.00 0.00 51.96 53.37 2yt8 s ALA 74 Cb 0.20 -3.73 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 2yt8 s ALA 74 CO 0.76 -1.11 0.18 0.71 0.00 0.00 0.00 175.76 176.29 2yt8 s TYR 75 N 2.29 2.38 0.00 0.00 2.02 -1.26 -4.93 117.35 117.85 2yt8 s TYR 75 Ca 0.78 -0.67 0.00 0.00 -0.37 0.00 0.00 57.07 56.81 2yt8 s TYR 75 Cb -0.46 -1.90 0.00 0.00 -0.40 0.00 0.00 41.96 39.20 2yt8 s TYR 75 CO 0.34 0.12 0.00 0.41 -1.57 0.00 0.00 175.55 174.85 2yt8 n GLY 76 N -1.30 3.49 3.72 0.71 0.00 0.33 -4.50 105.19 107.65 2yt8 n GLY 76 Ca -0.04 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2yt8 n GLY 76 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yt8 s GLU 77 N 0.00 4.42 -0.28 1.61 2.56 -1.26 -0.28 118.70 125.48 2yt8 s GLU 77 Ca 0.00 1.89 -0.00 0.00 0.00 0.00 0.00 54.97 56.86 2yt8 s GLU 77 Cb 0.00 -3.28 0.08 0.00 2.00 0.00 0.00 34.13 32.93 2yt8 s GLU 77 CO 0.00 -0.25 0.05 0.08 -0.56 0.00 0.00 175.26 174.58 2yt8 s VAL 78 N 0.65 1.14 -0.63 3.70 1.01 -0.43 -4.95 120.40 120.90 2yt8 s VAL 78 Ca 0.58 -1.34 -0.26 0.00 0.00 0.00 0.00 61.98 60.96 2yt8 s VAL 78 Cb -0.33 -1.72 0.04 0.00 0.00 0.00 0.00 36.38 34.37 2yt8 s VAL 78 CO 0.32 -0.46 1.12 -1.00 0.00 0.00 0.00 175.10 175.09 2yt8 s HIS 79 N 1.52 2.58 -0.34 5.22 3.76 -1.26 -1.62 115.29 125.15 2yt8 s HIS 79 Ca 0.05 0.05 -0.07 0.00 -0.15 0.00 0.00 55.06 54.94 2yt8 s HIS 79 Cb -0.18 -4.40 0.04 0.00 1.11 0.00 0.00 32.58 29.15 2yt8 s HIS 79 CO -0.16 -1.67 0.11 0.42 -0.85 0.00 0.00 174.74 172.59 2yt8 s ILE 80 N 4.79 3.83 -0.54 0.60 1.01 -0.68 0.10 121.20 130.31 2yt8 s ILE 80 Ca 0.35 -1.08 -0.24 0.00 0.00 0.00 0.00 60.65 59.68 2yt8 s ILE 80 Cb -0.10 -3.15 0.04 0.00 0.01 0.00 0.00 42.46 39.26 2yt8 s ILE 80 CO 0.19 -0.15 0.92 -0.75 0.00 0.00 0.00 174.94 175.14 2yt8 s LYS 81 N 1.42 3.33 -0.12 2.79 2.20 0.15 -1.97 119.74 127.54 2yt8 s LYS 81 Ca -0.01 -0.28 -0.11 0.00 -0.36 0.00 0.00 55.97 55.21 2yt8 s LYS 81 Cb -0.19 -4.05 -0.05 0.00 -1.51 0.00 0.00 37.83 32.03 2yt8 s LYS 81 CO 0.03 -1.45 0.24 0.95 -0.36 0.00 0.00 175.35 174.76 2yt8 s THR 82 N 3.84 5.34 0.00 3.43 -4.23 -0.37 -2.77 115.64 120.87 2yt8 s THR 82 Ca 0.30 0.43 0.00 0.00 -1.18 0.00 0.00 61.69 61.24 2yt8 s THR 82 Cb -0.13 -3.54 -0.00 0.00 1.34 0.00 0.00 72.50 70.17 2yt8 s THR 82 CO 0.19 0.52 -0.00 -0.32 -0.54 0.00 0.00 174.62 174.47 2yt8 s MET 83 N -0.44 0.03 -0.23 3.99 1.75 0.11 -2.56 119.30 121.95 2yt8 s MET 83 Ca 0.16 -0.02 -0.29 0.00 -1.25 0.00 0.00 55.69 54.30 2yt8 s MET 83 Cb -0.13 -0.02 -0.03 0.00 2.84 0.00 0.00 34.83 37.49 2yt8 s MET 83 CO 0.05 0.01 1.62 -1.25 -0.65 0.00 0.00 175.02 174.79 2yt8 s PRO 84 N -0.03 3.78 0.35 4.11 0.04 -1.26 0.23 135.00 142.22 2yt8 s PRO 84 Ca -0.00 1.64 0.14 0.00 0.04 0.00 0.00 61.00 62.82 2yt8 s PRO 84 Cb -0.00 -4.04 1.14 0.00 0.04 0.00 0.00 34.50 31.63 2yt8 s PRO 84 CO -0.00 -1.32 1.58 0.00 0.04 0.00 0.00 177.00 177.30 2yt8 h ALA 85 N 10.79 1.81 0.00 8.56 0.00 -1.86 -0.88 119.26 137.69 2yt8 h ALA 85 Ca -0.34 0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2yt8 h ALA 85 Cb 1.15 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 2yt8 h ALA 85 CO 1.00 -0.82 -0.08 0.00 0.00 0.00 0.00 179.25 179.35 2yt8 h ALA 86 N 2.00 -0.57 0.22 0.00 0.00 -1.94 0.61 119.26 119.57 2yt8 h ALA 86 Ca 0.76 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.65 2yt8 h ALA 86 Cb 1.88 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 20.22 2yt8 h ALA 86 CO -0.83 -0.60 -0.28 1.15 0.00 0.00 0.00 179.25 178.70 2yt8 h THR 87 N -0.10 0.00 -0.72 0.00 2.02 -1.59 -1.01 112.91 111.51 2yt8 h THR 87 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.25 2yt8 h THR 87 Cb 0.11 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.44 2yt8 h THR 87 CO -0.05 0.00 -0.42 0.00 0.37 0.00 0.00 175.52 175.41 2yt8 n TYR 88 N -4.04 -0.32 -0.19 3.16 9.36 -0.74 0.35 117.16 124.75 2yt8 n TYR 88 Ca -0.06 0.89 0.00 0.00 3.32 0.00 0.00 57.90 62.06 2yt8 n TYR 88 Cb 0.24 -0.55 0.10 0.00 -0.63 0.00 0.00 39.34 38.51 2yt8 n TYR 88 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2yt8 h ARG 89 N 0.00 0.17 -0.96 2.98 3.08 -0.76 0.62 114.38 119.50 2yt8 h ARG 89 Ca 0.11 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.21 2yt8 h ARG 89 Cb 0.29 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.24 2yt8 h ARG 89 CO -0.67 0.11 0.63 -0.07 -1.07 0.00 0.00 179.97 178.89 2yt8 h LEU 90 N 0.17 1.00 0.31 3.04 3.38 0.13 0.72 115.31 124.07 2yt8 h LEU 90 Ca 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 2yt8 h LEU 90 Cb 0.48 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2yt8 h LEU 90 CO -0.46 0.65 -0.15 -0.07 0.09 0.00 0.00 178.44 178.50 2yt8 h LEU 91 N 1.14 -0.35 -2.94 1.67 3.38 0.15 -3.07 115.31 115.28 2yt8 h LEU 91 Ca 0.41 -0.17 -0.19 0.00 0.09 0.00 0.00 57.88 58.02 2yt8 h LEU 91 Cb 0.14 0.09 -0.11 0.00 0.09 0.00 0.00 40.66 40.87 2yt8 h LEU 91 CO -0.15 -0.00 0.24 1.07 0.09 0.00 0.00 178.44 179.69 2yt8 n THR 92 N -5.14 2.06 -1.48 0.22 5.66 -0.18 -4.98 114.28 110.44 2yt8 n THR 92 Ca -0.10 -1.03 -0.46 0.00 -3.05 0.00 0.00 64.05 59.42 2yt8 n THR 92 Cb 0.26 -0.57 -0.02 0.00 -1.55 0.00 0.00 70.33 68.45 2yt8 n THR 92 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2yt8 n GLY 93 N -0.16 -1.10 0.00 1.09 0.00 0.25 -4.96 105.19 100.31 2yt8 n GLY 93 Ca 0.28 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.63 2yt8 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93