#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yt8 n SER 2 N 0.00 -2.97 -4.91 1.61 2.88 -1.26 -4.94 113.62 104.03 2yt8 n SER 2 Ca 0.00 -0.97 -0.28 0.00 -1.33 0.00 0.00 58.87 56.29 2yt8 n SER 2 Cb 0.00 -3.01 0.08 0.00 -0.75 0.00 0.00 64.21 60.52 2yt8 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yt8 s SER 3 N -3.51 4.74 0.00 -3.46 0.15 -1.26 -5.04 113.70 105.32 2yt8 s SER 3 Ca 0.58 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.89 2yt8 s SER 3 Cb -0.31 -1.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.74 2yt8 s SER 3 CO 0.90 -1.71 0.00 0.61 1.20 0.00 0.00 173.24 174.25 2yt8 n GLY 4 N -3.10 -1.27 3.88 9.45 0.00 -1.26 -5.17 105.19 107.72 2yt8 n GLY 4 Ca 0.08 0.58 -0.30 0.00 0.00 0.00 0.00 46.02 46.38 2yt8 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yt8 s SER 5 N 0.00 6.37 -0.28 1.61 1.04 -1.26 -5.01 113.70 116.17 2yt8 s SER 5 Ca 0.00 1.21 0.07 0.00 0.48 0.00 0.00 55.95 57.71 2yt8 s SER 5 Cb 0.00 -2.37 0.45 0.00 0.10 0.00 0.00 66.02 64.21 2yt8 s SER 5 CO 0.00 -0.61 1.21 -1.54 0.98 0.00 0.00 173.24 173.27 2yt8 n SER 6 N -2.05 4.50 -0.02 7.02 3.41 -1.26 -4.68 113.62 120.54 2yt8 n SER 6 Ca 0.03 -3.77 -0.03 0.00 -0.26 0.00 0.00 58.87 54.84 2yt8 n SER 6 Cb 0.54 -0.38 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 2yt8 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yt8 n GLY 7 N -0.77 -0.06 3.69 5.00 0.00 -1.26 -5.00 105.19 106.78 2yt8 n GLY 7 Ca 0.41 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.08 5.23 -0.36 1.61 1.01 -1.26 -4.90 120.40 119.64 2yt8 s VAL 8 Ca -0.05 0.68 -0.28 0.00 0.00 0.00 0.00 61.98 62.33 2yt8 s VAL 8 Cb 0.01 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.70 2yt8 s VAL 8 CO 0.09 0.29 1.05 -0.89 0.00 0.00 0.00 175.10 175.64 2yt8 s THR 9 N 1.07 4.47 -0.03 3.92 2.01 -0.81 -4.96 115.64 121.31 2yt8 s THR 9 Ca 0.19 1.50 0.00 0.00 0.31 0.00 0.00 61.69 63.69 2yt8 s THR 9 Cb -0.14 -4.43 -0.03 0.00 0.01 0.00 0.00 72.50 67.90 2yt8 s THR 9 CO 0.07 -0.59 0.00 -0.89 -0.69 0.00 0.00 174.62 172.52 2yt8 s THR 10 N 3.75 4.21 0.00 -0.82 2.01 -1.26 0.38 115.64 123.91 2yt8 s THR 10 Ca 0.44 -0.46 -0.05 0.00 0.31 0.00 0.00 61.69 61.93 2yt8 s THR 10 Cb -0.11 -2.83 -0.00 0.00 0.01 0.00 0.00 72.50 69.56 2yt8 s THR 10 CO 0.19 0.47 0.08 0.00 -0.69 0.00 0.00 174.62 174.67 2yt8 s ALA 11 N -1.01 -0.19 -0.08 7.40 0.00 -0.72 -4.92 121.76 122.24 2yt8 s ALA 11 Ca 0.17 -0.20 0.04 0.00 0.00 0.00 0.00 51.96 51.97 2yt8 s ALA 11 Cb -0.11 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.09 2yt8 s ALA 11 CO 0.07 -0.17 -0.20 0.42 0.00 0.00 0.00 175.76 175.88 2yt8 s ILE 12 N -1.19 1.73 0.25 0.00 -1.09 -1.18 -0.76 121.20 118.96 2yt8 s ILE 12 Ca -0.13 -0.83 0.09 0.00 -2.23 0.00 0.00 60.65 57.54 2yt8 s ILE 12 Cb -0.07 -1.51 -0.04 0.00 -1.58 0.00 0.00 42.46 39.26 2yt8 s ILE 12 CO 0.01 0.49 0.04 -0.63 -1.23 0.00 0.00 174.94 173.61 2yt8 s ILE 13 N 0.38 3.69 -0.31 2.92 -1.09 -0.58 -3.97 121.20 122.23 2yt8 s ILE 13 Ca -0.15 -1.75 0.01 0.00 -2.23 0.00 0.00 60.65 56.53 2yt8 s ILE 13 Cb -0.17 -2.97 0.10 0.00 -1.58 0.00 0.00 42.46 37.84 2yt8 s ILE 13 CO 0.07 -0.34 0.06 -1.00 -1.23 0.00 0.00 174.94 172.49 2yt8 s HIS 14 N -2.22 2.63 -0.67 3.97 3.76 -1.26 -1.87 115.29 119.63 2yt8 s HIS 14 Ca 0.31 -2.26 -0.03 0.00 -0.15 0.00 0.00 55.06 52.94 2yt8 s HIS 14 Cb -0.07 -2.19 0.17 0.00 1.11 0.00 0.00 32.58 31.60 2yt8 s HIS 14 CO 0.21 -0.89 0.50 1.03 -0.85 0.00 0.00 174.74 174.73 2yt8 s ARG 15 N 1.30 2.70 0.49 1.40 3.00 -0.63 -4.91 118.95 122.30 2yt8 s ARG 15 Ca 0.08 -2.65 0.28 0.00 0.00 0.00 0.00 55.73 53.45 2yt8 s ARG 15 Cb -0.18 -3.78 1.18 0.00 0.00 0.00 0.00 34.95 32.17 2yt8 s ARG 15 CO -0.16 -1.19 1.93 -1.00 0.00 0.00 0.00 175.30 174.88 2yt8 h PRO 16 N 6.89 0.00 -6.20 3.54 0.13 -1.95 0.25 132.00 134.66 2yt8 h PRO 16 Ca 0.01 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.53 2yt8 h PRO 16 Cb 0.93 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.79 2yt8 h PRO 16 CO 0.73 0.13 -0.86 -1.58 -0.23 0.00 0.00 178.00 176.20 2yt8 s HIS 17 N -3.76 1.94 -0.01 1.56 2.46 -1.26 -4.84 115.29 111.39 2yt8 s HIS 17 Ca 0.00 -0.38 -0.01 0.00 0.47 0.00 0.00 55.06 55.15 2yt8 s HIS 17 Cb 0.10 -1.20 -0.27 0.00 -0.13 0.00 0.00 32.58 31.09 2yt8 s HIS 17 CO 0.59 0.05 0.79 0.00 -2.47 0.00 0.00 174.74 173.70 2yt8 h ALA 18 N 5.16 0.37 -0.19 1.58 0.00 -1.95 -3.31 119.26 120.91 2yt8 h ALA 18 Ca -0.42 -1.18 -0.09 0.00 0.00 0.00 0.00 54.91 53.22 2yt8 h ALA 18 Cb 1.15 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 2yt8 h ALA 18 CO 0.45 1.23 0.12 0.54 0.00 0.00 0.00 179.25 181.59 2yt8 n ARG 19 N -3.39 1.29 -5.23 0.00 1.74 -1.26 -4.81 116.66 105.00 2yt8 n ARG 19 Ca -0.17 -0.58 -0.30 0.00 -0.77 0.00 0.00 57.85 56.02 2yt8 n ARG 19 Cb 1.04 -1.27 -0.16 0.00 -1.02 0.00 0.00 32.46 31.05 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 -0.70 2.20 1.07 5.56 0.41 -1.25 -5.12 118.70 120.87 2yt8 s GLU 20 Ca 0.11 -0.88 -0.18 0.00 -0.41 0.00 0.00 54.97 53.61 2yt8 s GLU 20 Cb 0.09 -2.00 0.05 0.00 -1.78 0.00 0.00 34.13 30.49 2yt8 s GLU 20 CO 0.02 0.46 -0.11 0.00 -0.49 0.00 0.00 175.26 175.14 2yt8 n GLN 21 N 2.69 -1.07 -0.09 1.61 10.64 -1.26 -4.97 117.38 124.92 2yt8 n GLN 21 Ca -0.17 -0.29 -0.12 0.00 -1.83 0.00 0.00 57.00 54.59 2yt8 n GLN 21 Cb 0.52 -1.63 -0.09 0.00 -0.86 0.00 0.00 30.24 28.17 2yt8 n GLN 21 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2yt8 n LEU 22 N -0.82 2.50 0.00 2.61 4.77 -1.26 -5.04 117.00 119.77 2yt8 n LEU 22 Ca 0.02 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2yt8 n LEU 22 Cb 0.62 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2yt8 n LEU 22 CO 0.51 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.93 2yt8 n GLY 23 N 2.50 2.98 3.74 -0.72 0.00 -1.26 -4.11 105.19 108.33 2yt8 n GLY 23 Ca -0.32 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.52 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 0.00 3.70 -0.29 1.61 -0.71 -1.26 0.04 117.98 121.08 2yt8 s PHE 24 Ca 0.00 1.39 -0.13 0.00 -1.04 0.00 0.00 56.93 57.15 2yt8 s PHE 24 Cb 0.00 -2.78 -0.04 0.00 -1.21 0.00 0.00 43.02 38.99 2yt8 s PHE 24 CO 0.00 0.26 0.27 0.00 -1.34 0.00 0.00 175.22 174.41 2yt8 s VAL 26 N 1.89 4.28 -0.09 0.00 1.01 -1.26 -1.21 120.40 125.02 2yt8 s VAL 26 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.84 2yt8 s VAL 26 Cb -0.16 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.40 2yt8 s VAL 26 CO 0.11 0.55 -0.08 -1.61 0.00 0.00 0.00 175.10 174.07 2yt8 s GLU 27 N -0.29 1.41 -1.21 2.72 2.02 0.79 -4.76 118.70 119.38 2yt8 s GLU 27 Ca 0.06 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 54.81 2yt8 s GLU 27 Cb -0.12 -1.40 0.00 0.00 0.10 0.00 0.00 34.13 32.71 2yt8 s GLU 27 CO 0.02 -0.17 0.00 -0.25 0.02 0.00 0.00 175.26 174.88 2yt8 n ASP 28 N 4.57 -3.70 0.00 -0.19 8.00 -1.26 0.58 116.55 124.55 2yt8 n ASP 28 Ca -0.16 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.58 2yt8 n ASP 28 Cb 0.51 -3.28 0.00 0.00 -0.02 0.00 0.00 41.12 38.32 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 -0.55 0.66 2.70 0.44 0.00 -1.26 -4.87 105.19 102.31 2yt8 n GLY 29 Ca -0.14 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 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 0.04 0.32 -0.61 1.01 0.20 -2.00 121.20 118.15 2yt8 s ILE 30 Ca 0.00 0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.69 2yt8 s ILE 30 Cb 0.00 -0.26 -0.10 0.00 0.01 0.00 0.00 42.46 42.11 2yt8 s ILE 30 CO 0.00 0.20 1.33 -0.63 0.00 0.00 0.00 174.94 175.84 2yt8 s ILE 31 N 2.07 2.67 0.00 2.92 1.01 -1.22 -0.15 121.20 128.50 2yt8 s ILE 31 Ca 0.04 0.66 0.00 0.00 0.00 0.00 0.00 60.65 61.36 2yt8 s ILE 31 Cb -0.12 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 38.93 2yt8 s ILE 31 CO -0.04 0.15 0.00 0.00 0.00 0.00 0.00 174.94 175.06 2yt8 s SER 33 N -4.72 2.99 -0.02 0.00 0.15 -1.24 -4.65 113.70 106.21 2yt8 s SER 33 Ca 0.00 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 55.63 2yt8 s SER 33 Cb 0.00 -0.20 0.02 0.00 -1.71 0.00 0.00 66.02 64.13 2yt8 s SER 33 CO 0.00 -0.09 0.00 -0.22 1.20 0.00 0.00 173.24 174.14 2yt8 s LEU 34 N -3.40 1.34 0.08 3.45 0.20 -1.26 -0.54 118.68 118.55 2yt8 s LEU 34 Ca 0.26 -0.01 -0.31 0.00 0.69 0.00 0.00 54.13 54.76 2yt8 s LEU 34 Cb -0.02 -0.15 -0.08 0.00 -0.43 0.00 0.00 46.19 45.51 2yt8 s LEU 34 CO 0.10 -0.08 1.54 -0.22 -0.29 0.00 0.00 176.35 177.41 2yt8 s LEU 35 N 0.78 4.36 -0.31 -0.68 2.96 0.11 -4.94 118.68 120.95 2yt8 s LEU 35 Ca -0.07 2.40 -0.29 0.00 -0.22 0.00 0.00 54.13 55.95 2yt8 s LEU 35 Cb -0.10 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.03 2yt8 s LEU 35 CO -0.02 -0.80 1.05 -0.60 -1.32 0.00 0.00 176.35 174.66 2yt8 s ARG 36 N 2.09 4.08 0.00 1.98 3.52 -1.26 -3.75 118.95 125.62 2yt8 s ARG 36 Ca 0.70 1.08 0.00 0.00 -0.13 0.00 0.00 55.73 57.37 2yt8 s ARG 36 Cb -0.38 -3.72 0.00 0.00 -1.56 0.00 0.00 34.95 29.28 2yt8 s ARG 36 CO 0.30 -0.85 0.00 0.41 -0.81 0.00 0.00 175.30 174.35 2yt8 n GLY 37 N 3.82 0.71 0.00 8.12 0.00 -1.26 -5.09 105.19 111.49 2yt8 n GLY 37 Ca 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.46 5.33 0.16 -0.02 0.00 -1.25 -5.09 105.19 103.87 2yt8 n GLY 38 Ca 0.00 -1.43 -0.24 0.00 0.00 0.00 0.00 46.02 44.35 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 1.43 -0.05 -0.61 5.41 -1.26 -4.39 119.36 119.90 2yt8 n ILE 39 Ca 0.00 -0.43 -0.07 0.00 1.00 0.00 0.00 62.75 63.24 2yt8 n ILE 39 Cb 0.00 -1.68 -0.05 0.00 -0.71 0.00 0.00 39.64 37.20 2yt8 n ILE 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2yt8 h ALA 40 N -0.60 -0.59 -0.95 -1.39 0.00 -1.91 0.37 119.26 114.19 2yt8 h ALA 40 Ca -0.63 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 54.49 2yt8 h ALA 40 Cb 1.68 0.89 -0.18 0.00 0.00 0.00 0.00 17.79 20.18 2yt8 h ALA 40 CO -0.29 -0.72 -0.14 1.49 0.00 0.00 0.00 179.25 179.60 2yt8 h GLU 41 N -0.24 0.01 -0.61 0.00 4.57 -1.82 0.86 114.58 117.35 2yt8 h GLU 41 Ca 0.03 -0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 2yt8 h GLU 41 Cb 0.33 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 2yt8 h GLU 41 CO -0.28 0.01 0.07 0.00 -1.18 0.00 0.00 179.01 177.62 2yt8 h ARG 42 N 0.01 1.01 -0.44 1.92 -0.00 -1.44 -3.05 114.38 112.38 2yt8 h ARG 42 Ca 0.50 -0.27 -0.02 0.00 -0.50 0.00 0.00 59.98 59.69 2yt8 h ARG 42 Cb 0.86 -0.12 -0.02 0.00 0.00 0.00 0.00 29.97 30.69 2yt8 h ARG 42 CO -0.94 0.95 0.20 0.78 0.00 0.00 0.00 179.97 180.96 2yt8 h GLY 43 N 1.02 0.69 0.00 0.04 0.00 0.47 -3.47 103.07 101.83 2yt8 h GLY 43 Ca 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2yt8 h GLY 43 CO 0.02 0.34 0.00 0.61 0.00 0.00 0.00 176.54 177.51 2yt8 n GLY 44 N -0.85 0.82 3.75 4.60 0.00 0.17 -3.12 105.19 110.56 2yt8 n GLY 44 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.82 4.52 -0.16 -0.61 -1.09 -1.10 -4.54 121.20 117.39 2yt8 s ILE 45 Ca 0.00 1.80 -0.02 0.00 -2.23 0.00 0.00 60.65 60.20 2yt8 s ILE 45 Cb 0.00 -4.19 0.05 0.00 -1.58 0.00 0.00 42.46 36.74 2yt8 s ILE 45 CO 0.00 0.41 0.00 -0.13 -1.23 0.00 0.00 174.94 173.99 2yt8 s ARG 46 N -0.45 0.86 0.61 2.79 1.81 -1.26 -4.63 118.95 118.68 2yt8 s ARG 46 Ca 0.40 -0.34 -0.18 0.00 -1.72 0.00 0.00 55.73 53.89 2yt8 s ARG 46 Cb -0.22 -1.84 -0.04 0.00 -0.45 0.00 0.00 34.95 32.40 2yt8 s ARG 46 CO 0.26 -0.51 1.04 1.33 -0.68 0.00 0.00 175.30 176.74 2yt8 n VAL 47 N 5.02 3.98 0.00 3.52 0.24 -1.26 -3.02 118.33 126.80 2yt8 n VAL 47 Ca -0.09 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 2yt8 n VAL 47 Cb 0.48 -1.23 0.00 0.00 -1.47 0.00 0.00 33.84 31.62 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 1.20 3.31 3.81 7.63 0.00 -0.62 -4.98 105.19 115.53 2yt8 n GLY 48 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.92 3.63 0.16 1.61 3.76 -1.17 -4.46 115.29 115.91 2yt8 s HIS 49 Ca 0.00 0.81 -0.16 0.00 -0.15 0.00 0.00 55.06 55.57 2yt8 s HIS 49 Cb 0.00 -2.26 -0.07 0.00 1.11 0.00 0.00 32.58 31.36 2yt8 s HIS 49 CO 0.00 0.53 0.59 0.50 -0.85 0.00 0.00 174.74 175.51 2yt8 s ARG 50 N -0.58 4.05 0.06 1.40 3.52 0.19 -3.44 118.95 124.16 2yt8 s ARG 50 Ca 0.21 0.59 -0.27 0.00 -0.13 0.00 0.00 55.73 56.13 2yt8 s ARG 50 Cb -0.15 -2.93 -0.05 0.00 -1.56 0.00 0.00 34.95 30.26 2yt8 s ARG 50 CO 0.09 0.46 0.86 0.42 -0.81 0.00 0.00 175.30 176.33 2yt8 s ILE 51 N -1.46 4.66 -0.03 4.11 -1.09 -0.85 -0.33 121.20 126.21 2yt8 s ILE 51 Ca 0.39 1.84 0.01 0.00 -2.23 0.00 0.00 60.65 60.66 2yt8 s ILE 51 Cb -0.16 -4.22 -0.02 0.00 -1.58 0.00 0.00 42.46 36.49 2yt8 s ILE 51 CO 0.20 0.32 0.04 2.30 -1.23 0.00 0.00 174.94 176.57 2yt8 n ILE 52 N 2.95 0.00 -3.50 2.92 -5.35 -1.01 -4.42 119.36 110.94 2yt8 n ILE 52 Ca 0.00 -0.29 -0.16 0.00 -0.27 0.00 0.00 62.75 62.03 2yt8 n ILE 52 Cb 0.50 0.79 -0.05 0.00 -1.74 0.00 0.00 39.64 39.14 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 -1.50 1.06 -0.08 6.28 2.12 -1.24 -2.65 118.70 122.68 2yt8 s GLU 53 Ca 0.00 0.07 -0.09 0.00 0.36 0.00 0.00 54.97 55.31 2yt8 s GLU 53 Cb 0.01 0.50 0.02 0.00 0.26 0.00 0.00 34.13 34.92 2yt8 s GLU 53 CO 0.05 -0.37 0.24 0.96 -0.54 0.00 0.00 175.26 175.60 2yt8 s ILE 54 N -1.82 0.01 -0.19 -3.70 -5.25 -0.15 -2.09 121.20 108.01 2yt8 s ILE 54 Ca -0.07 -0.05 -0.02 0.00 -0.99 0.00 0.00 60.65 59.52 2yt8 s ILE 54 Cb -0.00 -0.36 0.02 0.00 2.95 0.00 0.00 42.46 45.07 2yt8 s ILE 54 CO 0.03 -0.03 0.06 0.59 -1.79 0.00 0.00 174.94 173.81 2yt8 n ASN 55 N 2.82 -0.87 -0.79 4.36 3.02 0.57 0.23 115.26 124.61 2yt8 n ASN 55 Ca -0.13 0.21 -0.01 0.00 -0.03 0.00 0.00 54.58 54.62 2yt8 n ASN 55 Cb 0.58 -0.84 0.01 0.00 -0.61 0.00 0.00 39.78 38.91 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 -0.46 0.77 2.84 7.41 0.00 -1.26 -4.99 105.19 109.50 2yt8 n GLY 56 Ca 0.01 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 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 -4.88 0.03 0.07 1.61 -1.52 0.64 -5.12 119.66 110.49 2yt8 s GLN 57 Ca 0.03 0.42 -0.31 0.00 -1.95 0.00 0.00 55.36 53.56 2yt8 s GLN 57 Cb -0.01 -0.27 -0.09 0.00 -0.22 0.00 0.00 33.01 32.42 2yt8 s GLN 57 CO 0.05 -0.24 1.84 0.45 -0.25 0.00 0.00 175.29 177.14 2yt8 s SER 58 N 1.71 6.47 0.00 5.90 0.15 -1.26 -0.98 113.70 125.69 2yt8 s SER 58 Ca -0.03 2.66 0.02 0.00 0.70 0.00 0.00 55.95 59.30 2yt8 s SER 58 Cb -0.12 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.63 2yt8 s SER 58 CO -0.05 -1.00 0.22 1.33 1.20 0.00 0.00 173.24 174.94 2yt8 n VAL 59 N 5.07 0.00 -0.13 4.45 0.24 -1.08 -4.61 118.33 122.27 2yt8 n VAL 59 Ca 0.18 -0.47 0.22 0.00 -2.04 0.00 0.00 64.34 62.23 2yt8 n VAL 59 Cb 0.40 1.01 0.63 0.00 -1.47 0.00 0.00 33.84 34.41 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 0.12 0.68 -0.12 3.34 3.04 -1.76 0.44 116.25 121.98 2yt8 h VAL 60 Ca 0.00 -0.05 -0.04 0.00 -1.01 0.00 0.00 66.70 65.59 2yt8 h VAL 60 Cb 0.05 0.51 -0.03 0.00 -2.01 0.00 0.00 31.29 29.82 2yt8 h VAL 60 CO 0.00 0.03 -0.19 0.00 -1.01 0.00 0.00 177.57 176.40 2yt8 n ALA 61 N -2.62 3.34 -2.60 3.17 0.00 -1.26 -5.01 120.51 115.53 2yt8 n ALA 61 Ca 0.15 -2.94 -0.34 0.00 0.00 0.00 0.00 53.44 50.31 2yt8 n ALA 61 Cb 0.71 -0.50 -0.11 0.00 0.00 0.00 0.00 19.45 19.55 2yt8 n ALA 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2yt8 s THR 62 N -3.09 3.64 0.40 0.00 2.01 0.14 -5.10 115.64 113.64 2yt8 s THR 62 Ca 0.38 -0.50 -0.25 0.00 0.31 0.00 0.00 61.69 61.63 2yt8 s THR 62 Cb 0.35 -2.49 -0.09 0.00 0.01 0.00 0.00 72.50 70.29 2yt8 s THR 62 CO -0.00 0.59 1.19 -2.16 -0.69 0.00 0.00 174.62 173.55 2yt8 s PRO 63 N -0.72 4.06 0.23 4.92 0.04 -1.26 -4.83 135.00 137.44 2yt8 s PRO 63 Ca 0.11 1.89 -0.15 0.00 0.04 0.00 0.00 61.00 62.89 2yt8 s PRO 63 Cb -0.11 -2.71 0.26 0.00 0.04 0.00 0.00 34.50 31.98 2yt8 s PRO 63 CO 0.01 -0.33 1.58 1.25 0.04 0.00 0.00 177.00 179.55 2yt8 h HIS 64 N 2.69 -0.78 -0.93 0.56 -0.00 -1.95 -0.60 115.15 114.13 2yt8 h HIS 64 Ca -0.49 0.08 0.09 0.00 -0.00 0.00 0.00 60.37 60.06 2yt8 h HIS 64 Cb 1.24 0.46 -0.12 0.00 -0.00 0.00 0.00 27.41 28.99 2yt8 h HIS 64 CO 0.55 -0.38 -0.57 0.00 -0.00 0.00 0.00 177.93 177.52 2yt8 h ALA 65 N 1.46 -0.53 -0.10 5.26 0.00 -2.00 0.23 119.26 123.58 2yt8 h ALA 65 Ca 0.34 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.39 2yt8 h ALA 65 Cb 0.59 1.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 2yt8 h ALA 65 CO -0.85 -0.96 -0.04 -0.09 0.00 0.00 0.00 179.25 177.31 2yt8 h ARG 66 N -0.04 -0.03 -0.52 0.00 9.65 -1.52 -2.17 114.38 119.76 2yt8 h ARG 66 Ca 0.16 0.00 0.10 0.00 -1.10 0.00 0.00 59.98 59.15 2yt8 h ARG 66 Cb 0.44 0.01 -0.10 0.00 -1.39 0.00 0.00 29.97 28.93 2yt8 h ARG 66 CO -0.90 -0.02 -0.16 0.82 2.80 0.00 0.00 179.97 182.51 2yt8 h ILE 67 N -0.03 0.44 -0.66 1.20 2.04 -0.06 0.11 117.51 120.55 2yt8 h ILE 67 Ca 0.05 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.96 2yt8 h ILE 67 Cb 0.11 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 2yt8 h ILE 67 CO -0.12 0.00 0.38 0.40 0.00 0.00 0.00 178.15 178.81 2yt8 h ILE 68 N -0.03 1.00 -0.33 -0.67 1.08 -0.33 -1.23 117.51 116.99 2yt8 h ILE 68 Ca 0.25 -0.24 -0.01 0.00 -0.39 0.00 0.00 64.86 64.47 2yt8 h ILE 68 Cb 0.41 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 34.37 2yt8 h ILE 68 CO -0.55 0.13 0.17 -0.33 -0.69 0.00 0.00 178.15 176.88 2yt8 h GLU 69 N 0.71 0.47 0.16 2.37 4.39 -0.46 -1.98 114.58 120.24 2yt8 h GLU 69 Ca 0.29 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.92 2yt8 h GLU 69 Cb 0.14 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2yt8 h GLU 69 CO -0.16 0.41 -0.08 -0.07 -1.16 0.00 0.00 179.01 177.95 2yt8 h LEU 70 N 0.41 -0.20 -0.82 1.33 3.38 -0.38 0.29 115.31 119.31 2yt8 h LEU 70 Ca 0.12 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.18 2yt8 h LEU 70 Cb 0.09 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 40.78 2yt8 h LEU 70 CO -0.02 -0.13 -0.56 -0.07 0.09 0.00 0.00 178.44 177.75 2yt8 h LEU 71 N -0.22 -2.01 -1.28 1.67 3.38 -1.30 0.56 115.31 116.10 2yt8 h LEU 71 Ca -0.02 0.30 0.09 0.00 0.09 0.00 0.00 57.88 58.34 2yt8 h LEU 71 Cb 0.17 0.88 -0.06 0.00 0.09 0.00 0.00 40.66 41.74 2yt8 h LEU 71 CO 0.03 -0.29 0.54 0.74 0.09 0.00 0.00 178.44 179.55 2yt8 h THR 72 N -0.12 0.97 0.00 0.22 2.02 -1.38 0.20 112.91 114.83 2yt8 h THR 72 Ca 0.15 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.05 2yt8 h THR 72 Cb 0.48 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2yt8 h THR 72 CO -0.84 0.15 0.00 -0.33 0.37 0.00 0.00 175.52 174.87 2yt8 h GLU 73 N 0.81 0.00 -5.48 6.66 4.39 0.38 -3.42 114.58 117.92 2yt8 h GLU 73 Ca 0.38 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 59.45 2yt8 h GLU 73 Cb 0.39 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 28.91 2yt8 h GLU 73 CO -0.15 0.00 0.13 0.00 -1.16 0.00 0.00 179.01 177.83 2yt8 s ALA 74 N -3.37 3.51 0.32 3.43 0.00 0.70 -5.04 121.76 121.31 2yt8 s ALA 74 Ca 0.04 -0.71 0.08 0.00 0.00 0.00 0.00 51.96 51.37 2yt8 s ALA 74 Cb 0.09 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 2yt8 s ALA 74 CO 0.44 -1.13 0.25 0.71 0.00 0.00 0.00 175.76 176.02 2yt8 s TYR 75 N 2.61 2.91 0.00 0.00 2.02 -1.26 -4.91 117.35 118.72 2yt8 s TYR 75 Ca 0.25 -0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.67 2yt8 s TYR 75 Cb -0.15 -1.68 0.00 0.00 -0.40 0.00 0.00 41.96 39.73 2yt8 s TYR 75 CO 0.12 0.28 0.00 0.41 -1.57 0.00 0.00 175.55 174.80 2yt8 n GLY 76 N -1.29 3.49 3.68 0.71 0.00 0.89 -4.64 105.19 108.03 2yt8 n GLY 76 Ca -0.03 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 4.29 -0.22 1.61 2.12 -1.26 -1.61 118.70 123.63 2yt8 s GLU 77 Ca 0.00 1.80 -0.01 0.00 0.36 0.00 0.00 54.97 57.11 2yt8 s GLU 77 Cb 0.00 -3.65 0.06 0.00 0.26 0.00 0.00 34.13 30.81 2yt8 s GLU 77 CO 0.00 -0.58 0.00 0.08 -0.54 0.00 0.00 175.26 174.22 2yt8 s VAL 78 N 2.73 0.98 -0.28 3.70 1.01 -0.78 -4.99 120.40 122.76 2yt8 s VAL 78 Ca 0.59 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 61.43 2yt8 s VAL 78 Cb -0.27 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.71 2yt8 s VAL 78 CO 0.22 -0.20 0.80 -1.00 0.00 0.00 0.00 175.10 174.92 2yt8 s HIS 79 N 1.64 3.24 -0.25 5.22 3.76 -1.26 -1.53 115.29 126.11 2yt8 s HIS 79 Ca -0.02 0.94 0.01 0.00 -0.15 0.00 0.00 55.06 55.84 2yt8 s HIS 79 Cb -0.18 -3.15 0.05 0.00 1.11 0.00 0.00 32.58 30.41 2yt8 s HIS 79 CO -0.08 -0.50 -0.10 0.42 -0.85 0.00 0.00 174.74 173.63 2yt8 s ILE 80 N 2.90 2.39 -0.52 0.60 1.01 0.06 -0.32 121.20 127.33 2yt8 s ILE 80 Ca 0.33 -1.42 -0.23 0.00 0.00 0.00 0.00 60.65 59.33 2yt8 s ILE 80 Cb -0.15 -2.32 0.04 0.00 0.01 0.00 0.00 42.46 40.04 2yt8 s ILE 80 CO 0.10 0.06 0.83 -0.75 0.00 0.00 0.00 174.94 175.19 2yt8 s LYS 81 N 1.18 3.30 0.20 2.79 2.20 -0.89 -1.75 119.74 126.77 2yt8 s LYS 81 Ca -0.05 -0.38 -0.03 0.00 -0.36 0.00 0.00 55.97 55.15 2yt8 s LYS 81 Cb -0.19 -4.04 -0.05 0.00 -1.51 0.00 0.00 37.83 32.05 2yt8 s LYS 81 CO -0.05 -1.35 0.42 0.95 -0.36 0.00 0.00 175.35 174.96 2yt8 s THR 82 N 3.50 5.15 -0.16 3.43 -4.23 0.16 -2.40 115.64 121.10 2yt8 s THR 82 Ca 0.27 -0.14 -0.13 0.00 -1.18 0.00 0.00 61.69 60.51 2yt8 s THR 82 Cb -0.14 -3.70 0.04 0.00 1.34 0.00 0.00 72.50 70.05 2yt8 s THR 82 CO 0.18 -0.14 0.40 -0.32 -0.54 0.00 0.00 174.62 174.21 2yt8 s MET 83 N -3.16 0.45 -0.29 3.99 0.00 0.55 -1.92 119.30 118.93 2yt8 s MET 83 Ca 0.41 0.62 -0.29 0.00 0.00 0.00 0.00 55.69 56.43 2yt8 s MET 83 Cb -0.11 0.16 -0.02 0.00 0.00 0.00 0.00 34.83 34.85 2yt8 s MET 83 CO 0.28 -0.09 1.66 -1.25 0.00 0.00 0.00 175.02 175.62 2yt8 s PRO 84 N 0.55 3.59 0.38 4.11 0.04 -1.26 0.57 135.00 142.98 2yt8 s PRO 84 Ca -0.03 1.48 0.29 0.00 0.04 0.00 0.00 61.00 62.78 2yt8 s PRO 84 Cb -0.04 -4.09 1.27 0.00 0.04 0.00 0.00 34.50 31.67 2yt8 s PRO 84 CO -0.03 -1.54 1.29 0.00 0.04 0.00 0.00 177.00 176.76 2yt8 n ALA 85 N 9.18 1.20 0.03 8.56 0.00 -1.26 -0.73 120.51 137.49 2yt8 n ALA 85 Ca 0.20 0.69 -0.02 0.00 0.00 0.00 0.00 53.44 54.32 2yt8 n ALA 85 Cb 0.46 -0.89 -0.01 0.00 0.00 0.00 0.00 19.45 19.01 2yt8 n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yt8 h ALA 86 N 1.24 -0.84 -0.02 0.00 0.00 -1.94 -0.49 119.26 117.22 2yt8 h ALA 86 Ca 0.74 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.64 2yt8 h ALA 86 Cb 2.48 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 20.48 2yt8 h ALA 86 CO -0.33 -0.84 -0.27 1.15 0.00 0.00 0.00 179.25 178.96 2yt8 h THR 87 N -0.10 0.00 -0.98 0.00 2.02 -1.33 0.39 112.91 112.91 2yt8 h THR 87 Ca -0.01 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.30 2yt8 h THR 87 Cb 0.09 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.35 2yt8 h THR 87 CO 0.00 0.00 -0.46 0.00 0.37 0.00 0.00 175.52 175.43 2yt8 n TYR 88 N -3.96 -0.14 -0.14 3.16 9.36 -1.05 0.20 117.16 124.58 2yt8 n TYR 88 Ca -0.03 1.22 -0.04 0.00 3.32 0.00 0.00 57.90 62.37 2yt8 n TYR 88 Cb 0.19 -0.76 0.05 0.00 -0.63 0.00 0.00 39.34 38.19 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 0.23 0.00 2.98 2.47 -0.65 0.07 114.38 119.49 2yt8 h ARG 89 Ca 0.27 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.95 2yt8 h ARG 89 Cb 0.52 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.78 2yt8 h ARG 89 CO -0.96 0.15 -0.12 -0.07 0.56 0.00 0.00 179.97 179.53 2yt8 h LEU 90 N 0.24 0.00 0.26 3.04 3.38 0.20 -0.95 115.31 121.47 2yt8 h LEU 90 Ca 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2yt8 h LEU 90 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2yt8 h LEU 90 CO -0.27 0.12 -0.13 -0.07 0.09 0.00 0.00 178.44 178.19 2yt8 h LEU 91 N 0.00 -0.30 0.00 1.67 3.38 0.16 -3.11 115.31 117.11 2yt8 h LEU 91 Ca -0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2yt8 h LEU 91 Cb 0.23 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2yt8 h LEU 91 CO 0.02 0.19 0.00 1.07 0.09 0.00 0.00 178.44 179.81 2yt8 n THR 92 N -5.02 0.30 -2.38 0.22 5.66 -0.34 -4.76 114.28 107.96 2yt8 n THR 92 Ca -0.08 0.07 -0.24 0.00 -3.05 0.00 0.00 64.05 60.75 2yt8 n THR 92 Cb 0.25 -0.82 0.05 0.00 -1.55 0.00 0.00 70.33 68.27 2yt8 n THR 92 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2yt8 s GLY 93 N -2.31 1.72 0.00 1.09 0.00 -0.37 -5.08 107.32 102.37 2yt8 s GLY 93 Ca 0.19 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.88 2yt8 s GLY 93 CO 0.22 -0.68 0.24 0.61 0.00 0.00 0.00 173.10 173.49