#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 2.92 -0.55 1.61 0.01 -1.26 -5.10 113.70 111.32 2yt8 s SER 2 Ca 0.00 -0.88 0.04 0.00 1.31 0.00 0.00 55.95 56.42 2yt8 s SER 2 Cb 0.00 -0.19 0.16 0.00 0.21 0.00 0.00 66.02 66.20 2yt8 s SER 2 CO 0.00 0.00 0.39 -0.55 0.41 0.00 0.00 173.24 173.49 2yt8 s SER 3 N -2.73 3.47 0.00 2.44 0.15 -1.26 -4.95 113.70 110.82 2yt8 s SER 3 Ca 0.18 -3.33 0.00 0.00 0.70 0.00 0.00 55.95 53.50 2yt8 s SER 3 Cb -0.06 -1.13 0.00 0.00 -1.71 0.00 0.00 66.02 63.12 2yt8 s SER 3 CO 0.08 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2yt8 n GLY 4 N 2.60 -1.56 3.91 9.45 0.00 -1.26 -5.17 105.19 113.17 2yt8 n GLY 4 Ca 0.20 0.84 -0.32 0.00 0.00 0.00 0.00 46.02 46.75 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 0.30 1.61 1.04 -1.26 -5.08 113.70 116.68 2yt8 s SER 5 Ca 0.00 0.31 -0.29 0.00 0.48 0.00 0.00 55.95 56.45 2yt8 s SER 5 Cb 0.00 -1.98 -0.10 0.00 0.10 0.00 0.00 66.02 64.05 2yt8 s SER 5 CO 0.00 0.19 1.13 -0.55 0.98 0.00 0.00 173.24 174.99 2yt8 s SER 6 N -2.36 7.15 0.00 7.02 0.15 -1.26 -4.54 113.70 119.86 2yt8 s SER 6 Ca 0.33 2.33 0.00 0.00 0.70 0.00 0.00 55.95 59.31 2yt8 s SER 6 Cb -0.13 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 2yt8 s SER 6 CO 0.26 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2yt8 n GLY 7 N 1.09 1.09 3.77 9.45 0.00 -1.26 -5.10 105.19 114.23 2yt8 n GLY 7 Ca -0.01 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 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 3.18 -0.28 1.61 1.01 -1.26 -5.02 120.40 119.64 2yt8 s VAL 8 Ca 0.00 1.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.93 2yt8 s VAL 8 Cb 0.00 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.84 2yt8 s VAL 8 CO 0.00 0.10 0.02 -0.89 0.00 0.00 0.00 175.10 174.32 2yt8 s THR 9 N -1.41 3.48 -0.06 3.92 2.01 -1.16 -5.00 115.64 117.41 2yt8 s THR 9 Ca 0.56 -0.86 -0.12 0.00 0.31 0.00 0.00 61.69 61.59 2yt8 s THR 9 Cb -0.31 -2.79 -0.05 0.00 0.01 0.00 0.00 72.50 69.36 2yt8 s THR 9 CO 0.38 0.12 0.29 -0.89 -0.69 0.00 0.00 174.62 173.83 2yt8 s THR 10 N 1.42 5.25 0.06 -0.82 2.01 -1.26 -2.18 115.64 120.11 2yt8 s THR 10 Ca 0.01 0.56 0.04 0.00 0.31 0.00 0.00 61.69 62.61 2yt8 s THR 10 Cb -0.17 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 2yt8 s THR 10 CO -0.01 0.58 -0.12 0.00 -0.69 0.00 0.00 174.62 174.39 2yt8 s ALA 11 N -0.92 0.93 -0.10 7.40 0.00 -1.00 -5.00 121.76 123.07 2yt8 s ALA 11 Ca 0.20 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.30 2yt8 s ALA 11 Cb -0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 2yt8 s ALA 11 CO 0.09 0.10 -0.20 0.42 0.00 0.00 0.00 175.76 176.16 2yt8 s ILE 12 N -1.27 2.41 -0.20 0.00 -1.09 -1.21 -1.38 121.20 118.46 2yt8 s ILE 12 Ca -0.05 -0.90 -0.06 0.00 -2.23 0.00 0.00 60.65 57.41 2yt8 s ILE 12 Cb -0.10 -1.95 -0.03 0.00 -1.58 0.00 0.00 42.46 38.80 2yt8 s ILE 12 CO 0.01 0.55 0.02 -0.63 -1.23 0.00 0.00 174.94 173.67 2yt8 s ILE 13 N 0.23 4.18 -0.66 2.92 -1.09 -0.54 -3.96 121.20 122.27 2yt8 s ILE 13 Ca -0.13 -0.24 -0.25 0.00 -2.23 0.00 0.00 60.65 57.79 2yt8 s ILE 13 Cb -0.16 -2.89 0.04 0.00 -1.58 0.00 0.00 42.46 37.87 2yt8 s ILE 13 CO 0.07 0.43 1.12 -1.00 -1.23 0.00 0.00 174.94 174.33 2yt8 s HIS 14 N 0.89 2.52 -0.92 3.97 3.76 -1.26 -2.32 115.29 121.94 2yt8 s HIS 14 Ca 0.02 -0.12 -0.02 0.00 -0.15 0.00 0.00 55.06 54.79 2yt8 s HIS 14 Cb -0.14 -4.43 0.23 0.00 1.11 0.00 0.00 32.58 29.35 2yt8 s HIS 14 CO 0.02 -1.77 0.82 0.54 -0.85 0.00 0.00 174.74 173.51 2yt8 n ARG 15 N 8.45 2.74 0.00 1.40 1.74 -0.19 -4.87 116.66 125.93 2yt8 n ARG 15 Ca 0.02 -4.48 0.07 0.00 -0.77 0.00 0.00 57.85 52.68 2yt8 n ARG 15 Cb 0.48 -2.42 0.34 0.00 -1.02 0.00 0.00 32.46 29.83 2yt8 n ARG 15 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2yt8 n PRO 16 N 2.29 0.11 -3.52 5.56 -0.04 -1.26 0.76 135.00 138.90 2yt8 n PRO 16 Ca 0.22 0.20 -0.15 0.00 -0.04 0.00 0.00 63.50 63.73 2yt8 n PRO 16 Cb 0.37 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.28 2yt8 n PRO 16 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2yt8 s HIS 17 N -2.77 -0.55 -0.13 0.54 2.46 -1.26 -4.92 115.29 108.65 2yt8 s HIS 17 Ca 0.11 0.74 -0.07 0.00 0.47 0.00 0.00 55.06 56.30 2yt8 s HIS 17 Cb 0.10 0.42 -0.03 0.00 -0.13 0.00 0.00 32.58 32.93 2yt8 s HIS 17 CO 0.24 -0.67 -0.07 0.00 -2.47 0.00 0.00 174.74 171.77 2yt8 h ALA 18 N 2.74 0.01 -1.30 1.58 0.00 -1.95 -3.35 119.26 116.98 2yt8 h ALA 18 Ca -0.30 -0.38 0.40 0.00 0.00 0.00 0.00 54.91 54.64 2yt8 h ALA 18 Cb 1.20 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 19.25 2yt8 h ALA 18 CO 0.39 0.34 0.91 0.54 0.00 0.00 0.00 179.25 181.43 2yt8 n ARG 19 N -4.66 -0.01 -2.74 0.00 5.12 -1.26 -4.21 116.66 108.90 2yt8 n ARG 19 Ca -0.06 0.86 -0.39 0.00 -1.93 0.00 0.00 57.85 56.33 2yt8 n ARG 19 Cb 0.20 -1.85 -0.06 0.00 -1.16 0.00 0.00 32.46 29.59 2yt8 n ARG 19 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2yt8 s GLU 20 N -4.55 4.69 0.57 5.56 0.41 -1.26 -5.06 118.70 119.07 2yt8 s GLU 20 Ca -0.04 1.44 -0.10 0.00 -0.41 0.00 0.00 54.97 55.86 2yt8 s GLU 20 Cb 0.21 -3.03 0.14 0.00 -1.78 0.00 0.00 34.13 29.67 2yt8 s GLU 20 CO 0.64 0.36 0.59 0.00 -0.49 0.00 0.00 175.26 176.37 2yt8 n GLN 21 N 0.99 -1.60 -0.11 1.61 10.64 -1.26 -4.96 117.38 122.69 2yt8 n GLN 21 Ca 0.00 -0.93 -0.16 0.00 -1.83 0.00 0.00 57.00 54.08 2yt8 n GLN 21 Cb 0.48 -0.78 -0.09 0.00 -0.86 0.00 0.00 30.24 28.99 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 0.00 2.75 0.00 2.61 4.77 -1.26 -4.97 117.00 120.89 2yt8 n LEU 22 Ca 0.08 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2yt8 n LEU 22 Cb 0.29 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2yt8 n LEU 22 CO 0.21 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 2yt8 n GLY 23 N 2.34 3.12 3.80 -0.72 0.00 -1.26 -3.57 105.19 108.91 2yt8 n GLY 23 Ca -0.38 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.25 3.81 -0.19 1.61 -0.71 -1.26 0.19 117.98 121.18 2yt8 s PHE 24 Ca 0.00 1.39 -0.05 0.00 -1.04 0.00 0.00 56.93 57.23 2yt8 s PHE 24 Cb 0.00 -2.59 -0.03 0.00 -1.21 0.00 0.00 43.02 39.19 2yt8 s PHE 24 CO 0.00 0.52 0.01 0.00 -1.34 0.00 0.00 175.22 174.41 2yt8 s VAL 26 N 0.72 4.39 -0.19 0.00 1.01 -1.26 -1.22 120.40 123.84 2yt8 s VAL 26 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.78 2yt8 s VAL 26 Cb -0.14 -2.88 0.04 0.00 0.00 0.00 0.00 36.38 33.40 2yt8 s VAL 26 CO 0.02 0.57 -0.08 -1.61 0.00 0.00 0.00 175.10 174.00 2yt8 s GLU 27 N -0.52 1.76 -1.40 2.72 2.02 0.63 -4.74 118.70 119.17 2yt8 s GLU 27 Ca 0.09 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.34 2yt8 s GLU 27 Cb -0.12 -2.29 0.00 0.00 0.10 0.00 0.00 34.13 31.82 2yt8 s GLU 27 CO 0.02 -0.45 0.00 -0.25 0.02 0.00 0.00 175.26 174.60 2yt8 n ASP 28 N 4.75 -4.53 0.00 -0.19 9.92 -1.26 -0.40 116.55 124.84 2yt8 n ASP 28 Ca -0.13 0.18 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 2yt8 n ASP 28 Cb 0.47 -3.88 0.00 0.00 -0.64 0.00 0.00 41.12 37.07 2yt8 n ASP 28 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2yt8 n GLY 29 N -0.75 0.73 2.69 0.44 0.00 -1.26 -4.92 105.19 102.11 2yt8 n GLY 29 Ca -0.18 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.15 0.38 -0.61 1.01 0.46 -1.42 121.20 118.87 2yt8 s ILE 30 Ca 0.00 0.15 -0.28 0.00 0.00 0.00 0.00 60.65 60.52 2yt8 s ILE 30 Cb 0.00 -0.38 -0.11 0.00 0.01 0.00 0.00 42.46 41.98 2yt8 s ILE 30 CO 0.00 -0.03 1.48 -0.38 0.00 0.00 0.00 174.94 176.00 2yt8 n ILE 31 N 5.30 2.04 0.04 2.92 5.41 -1.04 -0.27 119.36 133.76 2yt8 n ILE 31 Ca -0.05 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.20 2yt8 n ILE 31 Cb 0.50 -1.95 0.00 0.00 -0.71 0.00 0.00 39.64 37.47 2yt8 n ILE 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2yt8 s SER 33 N -5.74 4.66 -0.04 0.00 0.15 -1.25 -4.53 113.70 106.95 2yt8 s SER 33 Ca 0.00 -0.49 0.02 0.00 0.70 0.00 0.00 55.95 56.18 2yt8 s SER 33 Cb 0.00 -0.94 0.01 0.00 -1.71 0.00 0.00 66.02 63.38 2yt8 s SER 33 CO 0.00 0.06 -0.08 -0.22 1.20 0.00 0.00 173.24 174.21 2yt8 s LEU 34 N -3.16 1.62 -0.10 3.45 0.20 -1.26 -0.81 118.68 118.61 2yt8 s LEU 34 Ca 0.28 -0.17 -0.29 0.00 0.69 0.00 0.00 54.13 54.63 2yt8 s LEU 34 Cb -0.08 -0.53 -0.05 0.00 -0.43 0.00 0.00 46.19 45.10 2yt8 s LEU 34 CO 0.19 0.02 1.61 -0.22 -0.29 0.00 0.00 176.35 177.66 2yt8 s LEU 35 N 0.49 4.22 -0.15 -0.68 2.96 0.13 -4.94 118.68 120.70 2yt8 s LEU 35 Ca -0.07 2.06 -0.29 0.00 -0.22 0.00 0.00 54.13 55.60 2yt8 s LEU 35 Cb -0.11 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.03 2yt8 s LEU 35 CO 0.01 -0.98 1.31 -0.60 -1.32 0.00 0.00 176.35 174.76 2yt8 s ARG 36 N 4.12 4.23 0.00 1.98 3.00 -1.26 -3.26 118.95 127.76 2yt8 s ARG 36 Ca 0.71 1.72 0.00 0.00 -1.00 0.00 0.00 55.73 57.16 2yt8 s ARG 36 Cb -0.30 -3.79 0.00 0.00 0.00 0.00 0.00 34.95 30.86 2yt8 s ARG 36 CO 0.28 -0.72 0.00 0.41 0.00 0.00 0.00 175.30 175.26 2yt8 n GLY 37 N 3.67 0.99 0.00 8.12 0.00 -1.26 -5.08 105.19 111.63 2yt8 n GLY 37 Ca 0.14 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.56 4.96 0.13 -0.02 0.00 -1.20 -5.09 105.19 103.41 2yt8 n GLY 38 Ca 0.00 -1.61 -0.26 0.00 0.00 0.00 0.00 46.02 44.15 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 1.52 -0.19 -0.61 5.41 -1.25 -4.43 119.36 119.82 2yt8 n ILE 39 Ca 0.00 -0.28 -0.05 0.00 1.00 0.00 0.00 62.75 63.42 2yt8 n ILE 39 Cb 0.00 -1.97 -0.05 0.00 -0.71 0.00 0.00 39.64 36.92 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 -0.97 -0.27 -1.44 -1.39 0.00 -1.90 0.92 119.26 114.22 2yt8 h ALA 40 Ca -0.57 0.05 0.46 0.00 0.00 0.00 0.00 54.91 54.86 2yt8 h ALA 40 Cb 1.49 1.17 -0.12 0.00 0.00 0.00 0.00 17.79 20.33 2yt8 h ALA 40 CO -0.35 -0.46 0.96 1.49 0.00 0.00 0.00 179.25 180.89 2yt8 h GLU 41 N -0.01 0.05 0.07 0.00 4.81 -1.82 1.70 114.58 119.37 2yt8 h GLU 41 Ca 0.07 -0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.04 2yt8 h GLU 41 Cb 0.20 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 2yt8 h GLU 41 CO -0.44 0.03 -1.28 0.00 -0.73 0.00 0.00 179.01 176.60 2yt8 h ARG 42 N 0.05 0.14 -0.16 1.92 3.08 0.39 -3.35 114.38 116.46 2yt8 h ARG 42 Ca 0.85 -0.24 -0.11 0.00 0.07 0.00 0.00 59.98 60.54 2yt8 h ARG 42 Cb 2.82 0.09 0.00 0.00 0.08 0.00 0.00 29.97 32.96 2yt8 h ARG 42 CO -0.35 1.04 -0.34 0.78 -1.07 0.00 0.00 179.97 180.03 2yt8 h GLY 43 N 2.32 0.56 0.00 0.04 0.00 0.68 -3.48 103.07 103.19 2yt8 h GLY 43 Ca -0.13 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.53 2yt8 h GLY 43 CO 0.15 0.60 0.00 0.61 0.00 0.00 0.00 176.54 177.91 2yt8 n GLY 44 N 0.45 0.91 3.73 4.60 0.00 0.65 -3.33 105.19 112.19 2yt8 n GLY 44 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.91 4.91 -0.12 -0.61 -1.09 -1.14 -4.73 121.20 117.51 2yt8 s ILE 45 Ca 0.00 1.53 -0.01 0.00 -2.23 0.00 0.00 60.65 59.94 2yt8 s ILE 45 Cb 0.00 -4.07 0.04 0.00 -1.58 0.00 0.00 42.46 36.84 2yt8 s ILE 45 CO 0.00 0.30 -0.02 -0.13 -1.23 0.00 0.00 174.94 173.87 2yt8 s ARG 46 N 0.40 0.94 1.07 2.79 1.81 -1.26 -4.57 118.95 120.14 2yt8 s ARG 46 Ca 0.38 -0.17 -0.21 0.00 -1.72 0.00 0.00 55.73 54.00 2yt8 s ARG 46 Cb -0.19 -1.50 0.01 0.00 -0.45 0.00 0.00 34.95 32.82 2yt8 s ARG 46 CO 0.20 -0.38 -0.51 1.33 -0.68 0.00 0.00 175.30 175.26 2yt8 n VAL 47 N 5.04 0.00 0.00 3.52 0.24 -1.26 -2.96 118.33 122.91 2yt8 n VAL 47 Ca -0.09 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 2yt8 n VAL 47 Cb 0.49 -0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.47 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 2.56 1.57 3.79 7.63 0.00 -0.44 -4.97 105.19 115.33 2yt8 n GLY 48 Ca -0.00 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.18 2.87 0.07 1.61 3.76 -1.16 -4.70 115.29 117.56 2yt8 s HIS 49 Ca 0.00 1.54 0.04 0.00 -0.15 0.00 0.00 55.06 56.49 2yt8 s HIS 49 Cb 0.00 -3.11 -0.04 0.00 1.11 0.00 0.00 32.58 30.54 2yt8 s HIS 49 CO 0.00 -1.22 -0.01 0.50 -0.85 0.00 0.00 174.74 173.16 2yt8 s ARG 50 N -3.67 2.58 -0.06 1.40 3.52 0.12 -2.48 118.95 120.36 2yt8 s ARG 50 Ca 0.67 -0.79 -0.22 0.00 -0.13 0.00 0.00 55.73 55.26 2yt8 s ARG 50 Cb -0.18 -2.56 -0.04 0.00 -1.56 0.00 0.00 34.95 30.61 2yt8 s ARG 50 CO 0.31 0.56 0.63 0.42 -0.81 0.00 0.00 175.30 176.41 2yt8 s ILE 51 N -1.24 5.04 0.00 4.11 -1.09 -0.51 0.14 121.20 127.66 2yt8 s ILE 51 Ca 0.24 1.30 0.00 0.00 -2.23 0.00 0.00 60.65 59.96 2yt8 s ILE 51 Cb -0.12 -3.97 0.00 0.00 -1.58 0.00 0.00 42.46 36.79 2yt8 s ILE 51 CO 0.16 0.31 0.00 2.30 -1.23 0.00 0.00 174.94 176.47 2yt8 n ILE 52 N 3.50 0.00 -3.63 2.92 -5.35 -1.00 -4.28 119.36 111.52 2yt8 n ILE 52 Ca -0.04 -0.13 -0.13 0.00 -0.27 0.00 0.00 62.75 62.18 2yt8 n ILE 52 Cb 0.51 0.61 -0.06 0.00 -1.74 0.00 0.00 39.64 38.97 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 -1.64 0.95 -0.20 6.28 2.12 -1.23 -2.05 118.70 122.93 2yt8 s GLU 53 Ca 0.00 -0.29 -0.08 0.00 0.36 0.00 0.00 54.97 54.95 2yt8 s GLU 53 Cb 0.00 0.43 0.08 0.00 0.26 0.00 0.00 34.13 34.90 2yt8 s GLU 53 CO 0.00 -0.33 0.44 0.96 -0.54 0.00 0.00 175.26 175.79 2yt8 s ILE 54 N -2.37 -0.40 -1.16 -3.70 -5.25 0.11 -1.64 121.20 106.79 2yt8 s ILE 54 Ca -0.06 0.13 0.00 0.00 -0.99 0.00 0.00 60.65 59.73 2yt8 s ILE 54 Cb -0.01 -0.68 0.00 0.00 2.95 0.00 0.00 42.46 44.72 2yt8 s ILE 54 CO -0.01 0.05 0.00 0.59 -1.79 0.00 0.00 174.94 173.78 2yt8 n ASN 55 N 4.93 -3.76 0.00 4.36 5.03 0.57 0.59 115.26 126.98 2yt8 n ASN 55 Ca -0.15 0.23 0.00 0.00 0.87 0.00 0.00 54.58 55.53 2yt8 n ASN 55 Cb 0.52 -3.29 0.00 0.00 -1.02 0.00 0.00 39.78 35.99 2yt8 n ASN 55 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2yt8 n GLY 56 N -0.63 0.58 3.16 7.41 0.00 -1.26 -5.02 105.19 109.43 2yt8 n GLY 56 Ca -0.14 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.24 3.05 -0.16 1.61 -0.21 0.20 -5.08 119.66 117.83 2yt8 s GLN 57 Ca 0.00 -0.81 -0.29 0.00 0.02 0.00 0.00 55.36 54.28 2yt8 s GLN 57 Cb 0.00 -2.58 -0.05 0.00 1.00 0.00 0.00 33.01 31.38 2yt8 s GLN 57 CO 0.00 -0.14 1.92 -1.54 -2.12 0.00 0.00 175.29 173.41 2yt8 s SER 58 N 1.15 6.05 -0.01 5.90 1.04 -1.26 -0.72 113.70 125.85 2yt8 s SER 58 Ca 0.01 1.96 0.17 0.00 0.48 0.00 0.00 55.95 58.57 2yt8 s SER 58 Cb -0.14 -2.52 -0.23 0.00 0.10 0.00 0.00 66.02 63.23 2yt8 s SER 58 CO -0.09 -1.48 0.51 1.33 0.98 0.00 0.00 173.24 174.50 2yt8 n VAL 59 N 6.72 0.00 -0.58 5.02 0.24 -0.87 -4.22 118.33 124.63 2yt8 n VAL 59 Ca 0.23 -0.27 0.46 0.00 -2.04 0.00 0.00 64.34 62.72 2yt8 n VAL 59 Cb 0.44 0.48 0.75 0.00 -1.47 0.00 0.00 33.84 34.04 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 0.02 0.00 3.34 3.04 -1.68 0.22 116.25 121.18 2yt8 h VAL 60 Ca 0.00 -0.00 -0.27 0.00 -1.01 0.00 0.00 66.70 65.42 2yt8 h VAL 60 Cb 0.61 0.01 -0.05 0.00 -2.01 0.00 0.00 31.29 29.85 2yt8 h VAL 60 CO 0.00 0.00 -2.01 0.00 -1.01 0.00 0.00 177.57 174.56 2yt8 n ALA 61 N -2.71 1.63 -1.57 3.17 0.00 -1.26 -5.01 120.51 114.77 2yt8 n ALA 61 Ca 0.42 -0.92 -0.46 0.00 0.00 0.00 0.00 53.44 52.49 2yt8 n ALA 61 Cb 1.77 -0.03 -0.02 0.00 0.00 0.00 0.00 19.45 21.17 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 -2.65 1.77 -2.26 0.00 -1.04 0.76 -4.90 114.28 105.96 2yt8 n THR 62 Ca -0.26 -0.44 -0.39 0.00 -2.04 0.00 0.00 64.05 60.92 2yt8 n THR 62 Cb 0.94 -0.86 -0.02 0.00 -1.82 0.00 0.00 70.33 68.57 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 -1.26 4.19 0.17 -2.82 0.04 -1.26 -4.82 135.00 129.25 2yt8 s PRO 63 Ca 0.62 1.94 -0.24 0.00 0.04 0.00 0.00 61.00 63.37 2yt8 s PRO 63 Cb -0.76 -2.84 0.05 0.00 0.04 0.00 0.00 34.50 30.99 2yt8 s PRO 63 CO 0.58 -0.23 1.42 1.58 0.04 0.00 0.00 177.00 180.39 2yt8 n HIS 64 N 0.39 -0.23 -0.28 0.56 -0.00 -1.26 -0.85 115.22 113.55 2yt8 n HIS 64 Ca 0.03 1.14 -0.07 0.00 -0.00 0.00 0.00 57.72 58.81 2yt8 n HIS 64 Cb 0.45 -0.68 -0.07 0.00 -0.00 0.00 0.00 29.99 29.69 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 -3.39 -0.43 0.16 1.57 0.00 -1.26 -0.31 120.51 116.84 2yt8 n ALA 65 Ca 0.05 0.58 -0.14 0.00 0.00 0.00 0.00 53.44 53.92 2yt8 n ALA 65 Cb 0.29 -0.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.62 2yt8 n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yt8 h ARG 66 N 0.00 -0.57 -1.48 0.00 2.47 -1.36 -1.54 114.38 111.90 2yt8 h ARG 66 Ca 0.11 0.04 0.47 0.00 -1.26 0.00 0.00 59.98 59.33 2yt8 h ARG 66 Cb 0.28 0.13 -0.10 0.00 -1.65 0.00 0.00 29.97 28.63 2yt8 h ARG 66 CO -0.64 -0.38 1.02 -0.89 0.56 0.00 0.00 179.97 179.64 2yt8 n ILE 67 N -5.42 -0.12 -0.05 2.04 5.41 0.58 0.56 119.36 122.35 2yt8 n ILE 67 Ca -0.08 1.47 -0.10 0.00 1.00 0.00 0.00 62.75 65.04 2yt8 n ILE 67 Cb 0.33 -2.43 -0.09 0.00 -0.71 0.00 0.00 39.64 36.74 2yt8 n ILE 67 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2yt8 h ILE 68 N 0.00 1.22 -0.11 1.39 1.08 -0.64 -2.95 117.51 117.49 2yt8 h ILE 68 Ca 0.81 -1.85 0.03 0.00 -0.39 0.00 0.00 64.86 63.45 2yt8 h ILE 68 Cb 2.92 2.28 -0.03 0.00 -3.07 0.00 0.00 36.82 38.93 2yt8 h ILE 68 CO -0.22 0.40 -0.05 -0.33 -0.69 0.00 0.00 178.15 177.26 2yt8 h GLU 69 N -0.98 -0.03 0.21 2.37 4.39 0.50 -0.55 114.58 120.49 2yt8 h GLU 69 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2yt8 h GLU 69 Cb 0.68 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2yt8 h GLU 69 CO 0.00 -0.02 -0.19 -0.07 -1.16 0.00 0.00 179.01 177.57 2yt8 h LEU 70 N -0.03 -0.52 -0.64 1.33 3.38 -0.65 0.32 115.31 118.49 2yt8 h LEU 70 Ca 0.06 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.19 2yt8 h LEU 70 Cb 0.13 0.17 -0.12 0.00 0.09 0.00 0.00 40.66 40.92 2yt8 h LEU 70 CO -0.14 -0.26 -0.31 -0.07 0.09 0.00 0.00 178.44 177.76 2yt8 h LEU 71 N -0.39 -1.08 -0.55 1.67 3.38 -1.50 0.12 115.31 116.95 2yt8 h LEU 71 Ca -0.03 0.23 0.06 0.00 0.09 0.00 0.00 57.88 58.23 2yt8 h LEU 71 Cb 0.34 0.56 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 2yt8 h LEU 71 CO -0.02 -0.29 0.27 0.74 0.09 0.00 0.00 178.44 179.24 2yt8 h THR 72 N -0.12 0.93 0.00 0.22 2.02 -0.96 -0.86 112.91 114.14 2yt8 h THR 72 Ca 0.26 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 2yt8 h THR 72 Cb 0.55 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2yt8 h THR 72 CO -0.71 0.09 -0.04 -0.33 0.37 0.00 0.00 175.52 174.90 2yt8 h GLU 73 N 0.52 0.00 -6.20 6.66 5.08 0.20 -3.41 114.58 117.43 2yt8 h GLU 73 Ca 0.25 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.05 2yt8 h GLU 73 Cb 0.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2yt8 h GLU 73 CO -0.19 0.04 0.98 0.00 -1.00 0.00 0.00 179.01 178.85 2yt8 s ALA 74 N -4.95 3.62 0.43 3.43 0.00 0.04 -5.01 121.76 119.32 2yt8 s ALA 74 Ca -0.05 0.62 0.07 0.00 0.00 0.00 0.00 51.96 52.60 2yt8 s ALA 74 Cb 0.17 -3.68 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 2yt8 s ALA 74 CO 0.67 -1.32 0.25 0.71 0.00 0.00 0.00 175.76 176.07 2yt8 s TYR 75 N 3.81 2.48 0.00 0.00 2.02 -1.26 -4.92 117.35 119.48 2yt8 s TYR 75 Ca 0.62 -0.61 0.00 0.00 -0.37 0.00 0.00 57.07 56.71 2yt8 s TYR 75 Cb -0.26 -1.99 0.00 0.00 -0.40 0.00 0.00 41.96 39.31 2yt8 s TYR 75 CO 0.21 0.03 0.00 0.41 -1.57 0.00 0.00 175.55 174.63 2yt8 n GLY 76 N -1.38 3.94 3.60 0.71 0.00 0.23 -4.39 105.19 107.89 2yt8 n GLY 76 Ca -0.01 0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 3.59 -0.29 1.61 2.12 -1.26 -1.02 118.70 123.46 2yt8 s GLU 77 Ca 0.00 0.91 -0.04 0.00 0.36 0.00 0.00 54.97 56.20 2yt8 s GLU 77 Cb 0.00 -4.01 0.03 0.00 0.26 0.00 0.00 34.13 30.41 2yt8 s GLU 77 CO 0.00 -1.54 0.01 0.08 -0.54 0.00 0.00 175.26 173.27 2yt8 s VAL 78 N 5.32 3.30 -0.32 3.70 1.01 -0.98 -4.97 120.40 127.46 2yt8 s VAL 78 Ca 0.60 -1.06 -0.22 0.00 0.00 0.00 0.00 61.98 61.30 2yt8 s VAL 78 Cb -0.13 -2.77 -0.00 0.00 0.00 0.00 0.00 36.38 33.48 2yt8 s VAL 78 CO 0.32 0.03 0.74 -1.00 0.00 0.00 0.00 175.10 175.19 2yt8 s HIS 79 N 1.36 3.19 -0.26 5.22 3.76 -1.26 -1.47 115.29 125.82 2yt8 s HIS 79 Ca -0.01 0.68 0.01 0.00 -0.15 0.00 0.00 55.06 55.59 2yt8 s HIS 79 Cb -0.18 -3.18 0.05 0.00 1.11 0.00 0.00 32.58 30.38 2yt8 s HIS 79 CO -0.01 -0.57 -0.08 0.42 -0.85 0.00 0.00 174.74 173.65 2yt8 s ILE 80 N 2.87 2.45 -0.45 0.60 1.01 -0.48 -0.32 121.20 126.89 2yt8 s ILE 80 Ca 0.30 -1.45 -0.26 0.00 0.00 0.00 0.00 60.65 59.25 2yt8 s ILE 80 Cb -0.14 -2.38 0.03 0.00 0.01 0.00 0.00 42.46 39.98 2yt8 s ILE 80 CO 0.13 0.02 0.93 -0.75 0.00 0.00 0.00 174.94 175.27 2yt8 s LYS 81 N 1.18 3.58 0.05 2.79 2.20 -0.65 -2.36 119.74 126.52 2yt8 s LYS 81 Ca -0.06 0.23 -0.01 0.00 -0.36 0.00 0.00 55.97 55.77 2yt8 s LYS 81 Cb -0.19 -3.91 -0.04 0.00 -1.51 0.00 0.00 37.83 32.18 2yt8 s LYS 81 CO -0.05 -1.18 0.21 0.95 -0.36 0.00 0.00 175.35 174.92 2yt8 s THR 82 N 3.72 5.39 -0.25 3.43 -4.23 -0.93 -2.38 115.64 120.40 2yt8 s THR 82 Ca 0.37 -0.31 -0.24 0.00 -1.18 0.00 0.00 61.69 60.33 2yt8 s THR 82 Cb -0.10 -3.61 0.07 0.00 1.34 0.00 0.00 72.50 70.20 2yt8 s THR 82 CO 0.25 0.18 0.69 -0.32 -0.54 0.00 0.00 174.62 174.88 2yt8 s MET 83 N -2.36 0.81 -0.04 3.99 1.75 0.12 -2.99 119.30 120.58 2yt8 s MET 83 Ca 0.33 0.92 -0.30 0.00 -1.25 0.00 0.00 55.69 55.39 2yt8 s MET 83 Cb -0.13 0.40 -0.05 0.00 2.84 0.00 0.00 34.83 37.89 2yt8 s MET 83 CO 0.25 -0.11 1.48 -1.25 -0.65 0.00 0.00 175.02 174.75 2yt8 s PRO 84 N 0.28 4.24 0.28 4.11 0.04 -1.26 0.14 135.00 142.83 2yt8 s PRO 84 Ca -0.01 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.04 2yt8 s PRO 84 Cb -0.05 -3.74 0.64 0.00 0.04 0.00 0.00 34.50 31.40 2yt8 s PRO 84 CO 0.01 -0.70 1.62 0.00 0.04 0.00 0.00 177.00 177.98 2yt8 h ALA 85 N 8.47 1.09 -0.06 8.56 0.00 -1.91 -1.79 119.26 133.62 2yt8 h ALA 85 Ca -0.37 0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2yt8 h ALA 85 Cb 1.17 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 2yt8 h ALA 85 CO 0.93 -0.49 -0.15 0.00 0.00 0.00 0.00 179.25 179.54 2yt8 h ALA 86 N 1.83 -0.52 -0.52 0.00 0.00 -1.97 0.20 119.26 118.28 2yt8 h ALA 86 Ca 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2yt8 h ALA 86 Cb 1.04 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2yt8 h ALA 86 CO -0.75 -0.58 0.00 2.41 0.00 0.00 0.00 179.25 180.33 2yt8 n THR 87 N -3.39 0.00 -0.21 0.00 -1.04 -0.73 -0.96 114.28 107.95 2yt8 n THR 87 Ca -0.02 1.41 -0.05 0.00 -2.04 0.00 0.00 64.05 63.35 2yt8 n THR 87 Cb 0.10 -2.18 -0.05 0.00 -1.82 0.00 0.00 70.33 66.38 2yt8 n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2yt8 n TYR 88 N -2.17 -0.22 -0.30 -1.42 9.36 -0.88 0.70 117.16 122.24 2yt8 n TYR 88 Ca 0.00 0.62 0.14 0.00 3.32 0.00 0.00 57.90 61.98 2yt8 n TYR 88 Cb 0.00 -0.51 0.30 0.00 -0.63 0.00 0.00 39.34 38.49 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 0.18 -0.08 2.98 3.08 -0.50 0.99 114.38 121.03 2yt8 h ARG 89 Ca 0.08 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 2yt8 h ARG 89 Cb 0.20 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2yt8 h ARG 89 CO -0.47 0.12 -0.32 -0.07 -1.07 0.00 0.00 179.97 178.17 2yt8 h LEU 90 N 0.19 0.16 -0.34 3.04 3.38 0.21 -1.31 115.31 120.63 2yt8 h LEU 90 Ca 0.56 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 58.29 2yt8 h LEU 90 Cb 1.15 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2yt8 h LEU 90 CO -0.68 0.47 -0.82 -0.07 0.09 0.00 0.00 178.44 177.43 2yt8 h LEU 91 N 0.14 0.31 -2.05 1.67 3.38 0.44 -3.06 115.31 116.13 2yt8 h LEU 91 Ca 0.02 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2yt8 h LEU 91 Cb 0.63 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2yt8 h LEU 91 CO 0.05 1.00 0.00 0.35 0.09 0.00 0.00 178.44 179.93 2yt8 n THR 92 N -3.72 0.85 -1.53 0.22 -2.24 0.63 -4.98 114.28 103.51 2yt8 n THR 92 Ca -0.04 -0.74 -0.57 0.00 -2.27 0.00 0.00 64.05 60.43 2yt8 n THR 92 Cb 0.77 0.28 -0.07 0.00 -2.10 0.00 0.00 70.33 69.20 2yt8 n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yt8 n GLY 93 N 1.25 -0.06 0.00 3.38 0.00 -0.52 -5.03 105.19 104.21 2yt8 n GLY 93 Ca 0.18 0.74 0.09 0.00 0.00 0.00 0.00 46.02 47.03 2yt8 n GLY 93 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26