#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 3.81 -0.10 1.61 1.04 -1.26 -5.07 113.70 113.73 2yt8 s SER 2 Ca 0.00 -2.97 -0.01 0.00 0.48 0.00 0.00 55.95 53.45 2yt8 s SER 2 Cb 0.00 -1.22 0.03 0.00 0.10 0.00 0.00 66.02 64.93 2yt8 s SER 2 CO 0.00 -0.22 -0.01 -0.94 0.98 0.00 0.00 173.24 173.06 2yt8 s SER 3 N -0.14 1.88 0.00 7.02 1.04 -1.26 -5.09 113.70 117.16 2yt8 s SER 3 Ca 0.20 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2yt8 s SER 3 Cb -0.19 -0.53 0.00 0.00 0.10 0.00 0.00 66.02 65.41 2yt8 s SER 3 CO -0.05 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.58 2yt8 n GLY 4 N 5.10 4.36 3.72 7.32 0.00 -1.26 -5.10 105.19 119.34 2yt8 n GLY 4 Ca -0.08 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 2yt8 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yt8 s SER 5 N 0.00 6.62 -0.07 1.61 0.01 -1.26 -5.01 113.70 115.60 2yt8 s SER 5 Ca 0.00 2.60 -0.05 0.00 1.31 0.00 0.00 55.95 59.81 2yt8 s SER 5 Cb 0.00 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.66 2yt8 s SER 5 CO 0.00 -0.79 0.17 -0.44 0.41 0.00 0.00 173.24 172.59 2yt8 s SER 6 N 0.99 -0.17 0.00 2.44 0.01 -1.26 -4.92 113.70 110.79 2yt8 s SER 6 Ca 0.68 0.35 0.00 0.00 1.31 0.00 0.00 55.95 58.29 2yt8 s SER 6 Cb -0.43 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2yt8 s SER 6 CO 0.33 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.50 2yt8 n GLY 7 N 3.42 2.79 3.75 3.44 0.00 -1.26 -5.01 105.19 112.32 2yt8 n GLY 7 Ca -0.17 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 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 4.03 -0.19 1.61 1.01 -1.26 -5.03 120.40 120.57 2yt8 s VAL 8 Ca 0.00 1.98 -0.17 0.00 0.00 0.00 0.00 61.98 63.79 2yt8 s VAL 8 Cb 0.00 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2yt8 s VAL 8 CO 0.00 0.44 0.44 -0.89 0.00 0.00 0.00 175.10 175.10 2yt8 s THR 9 N -0.98 5.17 -0.07 3.92 2.01 -1.10 -5.00 115.64 119.59 2yt8 s THR 9 Ca 0.43 0.81 0.01 0.00 0.31 0.00 0.00 61.69 63.26 2yt8 s THR 9 Cb -0.27 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 2yt8 s THR 9 CO 0.33 0.24 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.52 2yt8 s THR 10 N 1.31 3.47 0.01 -0.82 2.01 -1.26 -0.61 115.64 119.75 2yt8 s THR 10 Ca 0.21 -0.56 0.07 0.00 0.31 0.00 0.00 61.69 61.72 2yt8 s THR 10 Cb -0.15 -2.41 -0.02 0.00 0.01 0.00 0.00 72.50 69.93 2yt8 s THR 10 CO 0.09 0.59 -0.21 0.00 -0.69 0.00 0.00 174.62 174.39 2yt8 s ALA 11 N -0.64 1.75 -0.05 7.40 0.00 0.21 -4.95 121.76 125.48 2yt8 s ALA 11 Ca 0.10 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.12 2yt8 s ALA 11 Cb -0.11 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 2yt8 s ALA 11 CO 0.01 0.41 -0.15 0.42 0.00 0.00 0.00 175.76 176.46 2yt8 s ILE 12 N -0.63 3.01 0.28 0.00 -1.09 -1.26 0.15 121.20 121.66 2yt8 s ILE 12 Ca 0.08 -0.74 0.11 0.00 -2.23 0.00 0.00 60.65 57.86 2yt8 s ILE 12 Cb -0.08 -2.17 -0.05 0.00 -1.58 0.00 0.00 42.46 38.58 2yt8 s ILE 12 CO 0.00 0.59 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.55 2yt8 s ILE 13 N -0.71 2.76 -0.34 2.92 -1.09 -0.25 -4.45 121.20 120.03 2yt8 s ILE 13 Ca 0.11 -2.22 0.02 0.00 -2.23 0.00 0.00 60.65 56.33 2yt8 s ILE 13 Cb -0.11 -2.51 0.10 0.00 -1.58 0.00 0.00 42.46 38.36 2yt8 s ILE 13 CO 0.00 -0.37 0.06 -1.00 -1.23 0.00 0.00 174.94 172.41 2yt8 s HIS 14 N -2.46 3.66 -0.80 3.97 3.76 -1.25 -1.67 115.29 120.50 2yt8 s HIS 14 Ca 0.31 -2.77 -0.03 0.00 -0.15 0.00 0.00 55.06 52.42 2yt8 s HIS 14 Cb -0.05 -2.85 0.20 0.00 1.11 0.00 0.00 32.58 30.99 2yt8 s HIS 14 CO 0.17 -0.94 0.66 1.03 -0.85 0.00 0.00 174.74 174.81 2yt8 s ARG 15 N 0.98 3.05 0.45 1.40 0.52 0.45 -4.89 118.95 120.92 2yt8 s ARG 15 Ca 0.08 -2.99 0.30 0.00 -0.52 0.00 0.00 55.73 52.60 2yt8 s ARG 15 Cb -0.20 -3.90 1.26 0.00 0.52 0.00 0.00 34.95 32.63 2yt8 s ARG 15 CO -0.07 -1.24 1.89 -1.00 0.02 0.00 0.00 175.30 174.91 2yt8 h PRO 16 N 6.43 0.00 -5.80 3.54 0.13 -1.95 0.69 132.00 135.03 2yt8 h PRO 16 Ca 0.10 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.73 2yt8 h PRO 16 Cb 0.87 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.81 2yt8 h PRO 16 CO 0.80 0.00 -0.78 -1.58 -0.23 0.00 0.00 178.00 176.21 2yt8 s HIS 17 N -3.55 1.68 -0.13 1.56 2.46 -1.26 -4.90 115.29 111.15 2yt8 s HIS 17 Ca 0.02 -0.49 0.01 0.00 0.47 0.00 0.00 55.06 55.08 2yt8 s HIS 17 Cb 0.09 -0.86 -0.24 0.00 -0.13 0.00 0.00 32.58 31.44 2yt8 s HIS 17 CO 0.48 0.25 0.34 0.00 -2.47 0.00 0.00 174.74 173.34 2yt8 n ALA 18 N 0.49 1.17 0.57 1.58 0.00 -1.26 -4.11 120.51 118.95 2yt8 n ALA 18 Ca -0.15 -0.77 -0.04 0.00 0.00 0.00 0.00 53.44 52.48 2yt8 n ALA 18 Cb 0.56 -0.60 0.04 0.00 0.00 0.00 0.00 19.45 19.45 2yt8 n ALA 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2yt8 n ARG 19 N -3.28 1.30 -5.11 0.00 1.74 -1.26 -4.81 116.66 105.23 2yt8 n ARG 19 Ca -0.30 -0.59 -0.29 0.00 -0.77 0.00 0.00 57.85 55.90 2yt8 n ARG 19 Cb 1.05 -1.27 -0.16 0.00 -1.02 0.00 0.00 32.46 31.06 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 -0.71 1.88 0.97 5.56 0.41 -1.26 -5.14 118.70 120.41 2yt8 s GLU 20 Ca 0.11 -0.80 -0.16 0.00 -0.41 0.00 0.00 54.97 53.70 2yt8 s GLU 20 Cb 0.09 -1.79 0.24 0.00 -1.78 0.00 0.00 34.13 30.90 2yt8 s GLU 20 CO 0.02 0.46 0.83 0.00 -0.49 0.00 0.00 175.26 176.09 2yt8 n GLN 21 N 2.59 -2.83 -0.06 1.61 0.00 -1.26 -4.99 117.38 112.45 2yt8 n GLN 21 Ca -0.16 -1.34 -0.07 0.00 0.00 0.00 0.00 57.00 55.43 2yt8 n GLN 21 Cb 0.52 -1.29 -0.06 0.00 0.00 0.00 0.00 30.24 29.41 2yt8 n GLN 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2yt8 n LEU 22 N 0.00 2.02 0.00 2.61 4.77 -1.26 -4.94 117.00 120.20 2yt8 n LEU 22 Ca 0.12 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2yt8 n LEU 22 Cb 0.46 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2yt8 n LEU 22 CO 0.31 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 2yt8 n GLY 23 N 2.75 2.38 3.88 -0.72 0.00 -1.26 -2.62 105.19 109.60 2yt8 n GLY 23 Ca -0.20 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.97 3.60 -0.15 1.61 -0.71 -1.26 0.10 117.98 120.21 2yt8 s PHE 24 Ca 0.00 0.62 -0.04 0.00 -1.04 0.00 0.00 56.93 56.47 2yt8 s PHE 24 Cb 0.00 -2.02 -0.03 0.00 -1.21 0.00 0.00 43.02 39.77 2yt8 s PHE 24 CO 0.00 0.65 -0.03 0.00 -1.34 0.00 0.00 175.22 174.50 2yt8 s VAL 26 N 0.23 3.46 -0.27 0.00 1.01 -1.26 -1.15 120.40 122.41 2yt8 s VAL 26 Ca -0.02 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2yt8 s VAL 26 Cb -0.14 -2.52 0.06 0.00 0.00 0.00 0.00 36.38 33.78 2yt8 s VAL 26 CO 0.03 0.47 -0.07 -1.61 0.00 0.00 0.00 175.10 173.92 2yt8 s GLU 27 N 0.78 2.30 -1.49 2.72 0.41 0.41 -4.66 118.70 119.18 2yt8 s GLU 27 Ca -0.02 -1.32 -0.02 0.00 -0.41 0.00 0.00 54.97 53.19 2yt8 s GLU 27 Cb -0.15 -3.00 0.00 0.00 -1.78 0.00 0.00 34.13 29.21 2yt8 s GLU 27 CO 0.02 -0.59 0.25 -0.25 -0.49 0.00 0.00 175.26 174.19 2yt8 n ASP 28 N 4.50 -5.49 0.00 -0.19 8.00 -1.26 -1.74 116.55 120.37 2yt8 n ASP 28 Ca -0.14 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.24 2yt8 n ASP 28 Cb 0.42 -4.44 0.00 0.00 -0.02 0.00 0.00 41.12 37.08 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 -1.21 0.46 2.70 0.44 0.00 -1.26 -4.90 105.19 101.42 2yt8 n GLY 29 Ca -0.17 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 44.67 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 0.23 0.34 -0.61 1.01 -0.71 -1.23 121.20 118.23 2yt8 s ILE 30 Ca 0.00 -0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.25 2yt8 s ILE 30 Cb 0.00 -0.64 -0.11 0.00 0.01 0.00 0.00 42.46 41.72 2yt8 s ILE 30 CO 0.00 -0.04 1.45 -0.63 0.00 0.00 0.00 174.94 175.72 2yt8 s ILE 31 N 2.01 2.30 0.07 2.92 1.01 -1.06 -0.44 121.20 128.01 2yt8 s ILE 31 Ca 0.02 0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.95 2yt8 s ILE 31 Cb -0.15 -3.19 -0.00 0.00 0.01 0.00 0.00 42.46 39.13 2yt8 s ILE 31 CO -0.07 0.06 -0.02 0.00 0.00 0.00 0.00 174.94 174.92 2yt8 s SER 33 N -5.92 5.17 -0.03 0.00 0.01 -1.25 -4.50 113.70 107.18 2yt8 s SER 33 Ca -0.02 -0.31 -0.01 0.00 1.31 0.00 0.00 55.95 56.93 2yt8 s SER 33 Cb 0.00 -1.23 0.03 0.00 0.21 0.00 0.00 66.02 65.04 2yt8 s SER 33 CO 0.03 0.04 0.06 -0.22 0.41 0.00 0.00 173.24 173.55 2yt8 s LEU 34 N -3.32 0.90 -0.64 2.44 0.20 -1.26 -1.24 118.68 115.77 2yt8 s LEU 34 Ca 0.30 0.10 -0.26 0.00 0.69 0.00 0.00 54.13 54.96 2yt8 s LEU 34 Cb -0.09 0.02 -0.03 0.00 -0.43 0.00 0.00 46.19 45.66 2yt8 s LEU 34 CO 0.22 -0.15 1.95 -0.22 -0.29 0.00 0.00 176.35 177.86 2yt8 s LEU 35 N 1.21 3.28 -0.70 -0.68 2.96 0.12 -4.89 118.68 119.98 2yt8 s LEU 35 Ca -0.08 0.29 -0.26 0.00 -0.22 0.00 0.00 54.13 53.87 2yt8 s LEU 35 Cb -0.13 -2.53 -0.09 0.00 0.50 0.00 0.00 46.19 43.94 2yt8 s LEU 35 CO -0.04 -2.52 2.28 -0.60 -1.32 0.00 0.00 176.35 174.16 2yt8 s ARG 36 N 7.23 2.00 0.00 1.98 3.52 -1.26 -1.35 118.95 131.06 2yt8 s ARG 36 Ca 0.72 0.66 0.00 0.00 -0.13 0.00 0.00 55.73 56.98 2yt8 s ARG 36 Cb -0.12 -4.72 0.00 0.00 -1.56 0.00 0.00 34.95 28.54 2yt8 s ARG 36 CO 0.18 -3.75 0.00 0.41 -0.81 0.00 0.00 175.30 171.33 2yt8 n GLY 37 N 6.45 0.98 0.00 8.12 0.00 -1.26 -5.09 105.19 114.39 2yt8 n GLY 37 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 -2.97 0.09 -0.02 0.00 -0.46 -4.78 105.19 97.05 2yt8 n GLY 38 Ca 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 2yt8 n GLY 38 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2yt8 h ILE 39 N 0.00 1.01 0.08 -0.61 2.04 -1.83 -3.33 117.51 114.87 2yt8 h ILE 39 Ca 0.00 -2.79 -0.00 0.00 1.00 0.00 0.00 64.86 63.07 2yt8 h ILE 39 Cb 0.00 2.56 -0.00 0.00 -0.74 0.00 0.00 36.82 38.64 2yt8 h ILE 39 CO 0.00 0.67 -0.07 0.00 0.00 0.00 0.00 178.15 178.75 2yt8 h ALA 40 N 0.80 -0.82 -0.71 1.87 0.00 -1.78 0.34 119.26 118.95 2yt8 h ALA 40 Ca -0.25 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 54.77 2yt8 h ALA 40 Cb 1.98 0.30 -0.14 0.00 0.00 0.00 0.00 17.79 19.93 2yt8 h ALA 40 CO 0.10 -0.83 -0.18 1.49 0.00 0.00 0.00 179.25 179.84 2yt8 h GLU 41 N -0.15 -0.00 -0.33 0.00 4.81 -1.77 0.66 114.58 117.81 2yt8 h GLU 41 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2yt8 h GLU 41 Cb 0.13 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2yt8 h GLU 41 CO -0.01 -0.00 0.20 0.00 -0.73 0.00 0.00 179.01 178.47 2yt8 h ARG 42 N -0.00 0.44 -0.03 1.92 3.08 -1.63 -2.76 114.38 115.39 2yt8 h ARG 42 Ca 0.34 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 60.22 2yt8 h ARG 42 Cb 0.52 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.49 2yt8 h ARG 42 CO -0.74 0.31 -0.53 0.78 -1.07 0.00 0.00 179.97 178.72 2yt8 h GLY 43 N 0.49 0.46 0.00 0.04 0.00 0.43 -3.48 103.07 101.00 2yt8 h GLY 43 Ca 0.12 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.70 2yt8 h GLY 43 CO -0.02 0.66 0.00 0.61 0.00 0.00 0.00 176.54 177.79 2yt8 n GLY 44 N 0.95 0.64 3.83 4.60 0.00 0.85 -4.32 105.19 111.74 2yt8 n GLY 44 Ca -0.10 0.00 -0.36 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 -1.19 4.79 -0.11 -0.61 -1.09 -1.09 -4.74 121.20 117.17 2yt8 s ILE 45 Ca 0.00 0.99 -0.01 0.00 -2.23 0.00 0.00 60.65 59.40 2yt8 s ILE 45 Cb 0.00 -3.79 0.03 0.00 -1.58 0.00 0.00 42.46 37.11 2yt8 s ILE 45 CO 0.00 0.33 -0.06 -0.13 -1.23 0.00 0.00 174.94 173.85 2yt8 s ARG 46 N -1.72 1.32 0.75 2.79 1.81 -1.26 -4.72 118.95 117.92 2yt8 s ARG 46 Ca 0.36 -0.18 -0.12 0.00 -1.72 0.00 0.00 55.73 54.07 2yt8 s ARG 46 Cb -0.16 -1.46 0.05 0.00 -0.45 0.00 0.00 34.95 32.92 2yt8 s ARG 46 CO 0.19 -0.28 1.11 0.14 -0.68 0.00 0.00 175.30 175.78 2yt8 s VAL 47 N 1.77 3.08 0.00 3.52 -7.23 -1.26 -3.43 120.40 116.85 2yt8 s VAL 47 Ca 0.05 0.40 0.00 0.00 -1.81 0.00 0.00 61.98 60.62 2yt8 s VAL 47 Cb -0.13 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 33.96 2yt8 s VAL 47 CO -0.08 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 174.92 2yt8 n GLY 48 N -0.73 1.52 3.97 2.32 0.00 0.58 -4.97 105.19 107.89 2yt8 n GLY 48 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.00 2.68 0.01 1.61 3.76 -1.22 -4.63 115.29 114.49 2yt8 s HIS 49 Ca 0.00 0.00 0.08 0.00 -0.15 0.00 0.00 55.06 54.99 2yt8 s HIS 49 Cb 0.00 -2.84 -0.02 0.00 1.11 0.00 0.00 32.58 30.83 2yt8 s HIS 49 CO 0.00 -1.06 -0.25 1.03 -0.85 0.00 0.00 174.74 173.61 2yt8 s ARG 50 N -4.87 2.02 -0.29 1.40 0.52 0.14 -2.57 118.95 115.30 2yt8 s ARG 50 Ca 0.59 -0.99 -0.21 0.00 -0.52 0.00 0.00 55.73 54.61 2yt8 s ARG 50 Cb -0.10 -2.05 -0.01 0.00 0.52 0.00 0.00 34.95 33.31 2yt8 s ARG 50 CO 0.40 0.55 0.65 0.42 0.02 0.00 0.00 175.30 177.34 2yt8 s ILE 51 N -0.71 4.93 -0.12 1.52 -1.09 -0.37 -0.35 121.20 125.02 2yt8 s ILE 51 Ca 0.11 1.00 0.13 0.00 -2.23 0.00 0.00 60.65 59.66 2yt8 s ILE 51 Cb -0.10 -4.00 -0.18 0.00 -1.58 0.00 0.00 42.46 36.60 2yt8 s ILE 51 CO 0.01 -0.10 0.09 2.30 -1.23 0.00 0.00 174.94 176.01 2yt8 n ILE 52 N 5.35 0.80 -3.76 2.92 -5.35 -1.03 -4.21 119.36 114.08 2yt8 n ILE 52 Ca -0.00 -0.55 -0.13 0.00 -0.27 0.00 0.00 62.75 61.80 2yt8 n ILE 52 Cb 0.49 -0.50 -0.08 0.00 -1.74 0.00 0.00 39.64 37.81 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 -2.45 0.72 -0.07 6.28 2.12 -1.24 -0.24 118.70 123.81 2yt8 s GLU 53 Ca -0.07 -0.32 -0.11 0.00 0.36 0.00 0.00 54.97 54.83 2yt8 s GLU 53 Cb 0.05 0.32 0.02 0.00 0.26 0.00 0.00 34.13 34.78 2yt8 s GLU 53 CO 0.58 -0.21 0.28 0.96 -0.54 0.00 0.00 175.26 176.33 2yt8 s ILE 54 N -1.81 0.03 -1.17 -3.70 -5.25 0.52 0.51 121.20 110.33 2yt8 s ILE 54 Ca -0.10 -0.22 -0.15 0.00 -0.99 0.00 0.00 60.65 59.18 2yt8 s ILE 54 Cb -0.04 -0.48 0.15 0.00 2.95 0.00 0.00 42.46 45.05 2yt8 s ILE 54 CO 0.01 -0.12 0.37 0.59 -1.79 0.00 0.00 174.94 174.00 2yt8 n ASN 55 N 2.25 -1.42 -1.48 4.36 5.03 -0.28 0.21 115.26 123.93 2yt8 n ASN 55 Ca -0.17 -0.64 -0.08 0.00 0.87 0.00 0.00 54.58 54.57 2yt8 n ASN 55 Cb 0.57 -1.27 0.02 0.00 -1.02 0.00 0.00 39.78 38.08 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 -0.83 0.39 2.72 7.41 0.00 -1.26 -5.01 105.19 108.60 2yt8 n GLY 56 Ca 0.07 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 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 -5.31 0.09 -0.31 1.61 -0.21 0.56 -5.11 119.66 110.98 2yt8 s GLN 57 Ca 0.18 0.26 -0.29 0.00 0.02 0.00 0.00 55.36 55.53 2yt8 s GLN 57 Cb -0.08 -0.53 -0.02 0.00 1.00 0.00 0.00 33.01 33.38 2yt8 s GLN 57 CO 0.22 -0.27 1.72 -1.12 -2.12 0.00 0.00 175.29 173.72 2yt8 s SER 58 N 1.79 6.06 -0.00 5.90 0.01 -1.26 -0.35 113.70 125.84 2yt8 s SER 58 Ca 0.01 1.35 0.03 0.00 1.31 0.00 0.00 55.95 58.65 2yt8 s SER 58 Cb -0.12 -2.53 0.08 0.00 0.21 0.00 0.00 66.02 63.66 2yt8 s SER 58 CO -0.03 -1.57 1.07 1.33 0.41 0.00 0.00 173.24 174.45 2yt8 n VAL 59 N 7.14 1.02 -0.31 3.43 0.24 0.66 -4.62 118.33 125.90 2yt8 n VAL 59 Ca 0.21 -1.03 0.18 0.00 -2.04 0.00 0.00 64.34 61.66 2yt8 n VAL 59 Cb 0.46 0.48 0.36 0.00 -1.47 0.00 0.00 33.84 33.68 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 0.49 0.26 0.00 3.34 3.04 -0.84 -1.91 116.25 120.63 2yt8 h VAL 60 Ca 0.00 -0.07 -0.24 0.00 -1.01 0.00 0.00 66.70 65.38 2yt8 h VAL 60 Cb 0.57 0.03 -0.05 0.00 -2.01 0.00 0.00 31.29 29.84 2yt8 h VAL 60 CO 0.00 0.04 -2.07 0.00 -1.01 0.00 0.00 177.57 174.53 2yt8 n ALA 61 N -2.59 1.81 -1.49 3.17 0.00 -1.26 -4.94 120.51 115.21 2yt8 n ALA 61 Ca 0.26 -0.96 -0.48 0.00 0.00 0.00 0.00 53.44 52.27 2yt8 n ALA 61 Cb 0.82 -0.20 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 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 -2.51 1.76 -2.25 0.00 -1.04 -0.72 -4.88 114.28 104.63 2yt8 n THR 62 Ca -0.22 -0.44 -0.40 0.00 -2.04 0.00 0.00 64.05 60.95 2yt8 n THR 62 Cb 0.92 -0.42 -0.02 0.00 -1.82 0.00 0.00 70.33 68.98 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 -1.06 4.27 0.21 -2.82 0.04 -1.26 -4.83 135.00 129.54 2yt8 s PRO 63 Ca 0.65 1.98 -0.21 0.00 0.04 0.00 0.00 61.00 63.46 2yt8 s PRO 63 Cb -0.87 -2.92 0.15 0.00 0.04 0.00 0.00 34.50 30.91 2yt8 s PRO 63 CO 0.57 -0.18 1.56 1.25 0.04 0.00 0.00 177.00 180.24 2yt8 h HIS 64 N 3.12 -1.23 -0.79 0.56 -0.00 -1.90 -0.21 115.15 114.71 2yt8 h HIS 64 Ca -0.48 0.10 0.09 0.00 -0.00 0.00 0.00 60.37 60.08 2yt8 h HIS 64 Cb 1.23 0.67 -0.10 0.00 -0.00 0.00 0.00 27.41 29.20 2yt8 h HIS 64 CO 0.56 -0.40 -0.42 0.00 -0.00 0.00 0.00 177.93 177.67 2yt8 n ALA 65 N -3.36 -0.38 0.09 5.26 0.00 -1.26 0.03 120.51 120.88 2yt8 n ALA 65 Ca 0.07 0.71 -0.13 0.00 0.00 0.00 0.00 53.44 54.09 2yt8 n ALA 65 Cb 0.37 -0.18 -0.07 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.12 -0.92 0.00 9.65 -1.43 -2.66 114.38 118.90 2yt8 h ARG 66 Ca 0.17 0.01 0.27 0.00 -1.10 0.00 0.00 59.98 59.33 2yt8 h ARG 66 Cb 0.37 0.03 -0.15 0.00 -1.39 0.00 0.00 29.97 28.83 2yt8 h ARG 66 CO -0.76 -0.07 0.31 0.82 2.80 0.00 0.00 179.97 183.07 2yt8 h ILE 67 N -0.14 0.27 0.28 1.20 2.04 0.29 0.65 117.51 122.10 2yt8 h ILE 67 Ca -0.01 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2yt8 h ILE 67 Cb 0.11 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 2yt8 h ILE 67 CO 0.02 0.04 -0.13 0.40 0.00 0.00 0.00 178.15 178.48 2yt8 h ILE 68 N 0.21 0.74 -0.97 -0.67 1.08 -0.70 -1.00 117.51 116.19 2yt8 h ILE 68 Ca 0.61 -0.09 0.17 0.00 -0.39 0.00 0.00 64.86 65.16 2yt8 h ILE 68 Cb 1.30 0.79 -0.09 0.00 -3.07 0.00 0.00 36.82 35.76 2yt8 h ILE 68 CO -0.67 0.02 0.61 -0.33 -0.69 0.00 0.00 178.15 177.08 2yt8 h GLU 69 N -0.42 0.73 0.33 2.37 4.39 -0.73 -1.30 114.58 119.95 2yt8 h GLU 69 Ca -0.04 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2yt8 h GLU 69 Cb 0.32 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2yt8 h GLU 69 CO 0.06 0.48 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.17 2yt8 h LEU 70 N 0.75 -0.37 -0.97 1.33 3.38 -0.90 -0.03 115.31 118.50 2yt8 h LEU 70 Ca 0.52 0.01 0.32 0.00 0.09 0.00 0.00 57.88 58.82 2yt8 h LEU 70 Cb 0.80 0.10 -0.17 0.00 0.09 0.00 0.00 40.66 41.48 2yt8 h LEU 70 CO -0.28 -0.17 0.35 -0.07 0.09 0.00 0.00 178.44 178.36 2yt8 h LEU 71 N -0.64 0.09 -0.28 1.67 3.38 -0.96 0.64 115.31 119.20 2yt8 h LEU 71 Ca -0.05 0.24 -0.16 0.00 0.09 0.00 0.00 57.88 58.00 2yt8 h LEU 71 Cb 0.34 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2yt8 h LEU 71 CO 0.07 -0.29 -0.46 0.74 0.09 0.00 0.00 178.44 178.60 2yt8 h THR 72 N 0.12 1.29 0.00 0.22 2.02 -1.26 -2.81 112.91 112.49 2yt8 h THR 72 Ca 0.69 -1.65 0.00 0.00 0.77 0.00 0.00 66.41 66.23 2yt8 h THR 72 Cb 1.61 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.66 2yt8 h THR 72 CO -0.75 0.53 0.00 -0.62 0.37 0.00 0.00 175.52 175.06 2yt8 n GLU 73 N -4.10 0.09 -3.55 6.66 1.02 0.21 -4.46 120.64 116.51 2yt8 n GLU 73 Ca -0.04 0.47 -0.39 0.00 -0.02 0.00 0.00 57.16 57.18 2yt8 n GLU 73 Cb 0.58 -1.73 -0.11 0.00 -0.02 0.00 0.00 31.44 30.16 2yt8 n GLU 73 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yt8 s ALA 74 N -3.25 3.51 0.42 0.62 0.00 -0.35 -5.06 121.76 117.66 2yt8 s ALA 74 Ca 0.02 -1.27 0.08 0.00 0.00 0.00 0.00 51.96 50.78 2yt8 s ALA 74 Cb 0.06 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 2yt8 s ALA 74 CO 0.21 -0.81 0.34 0.71 0.00 0.00 0.00 175.76 176.21 2yt8 s TYR 75 N 1.74 2.67 0.00 0.00 1.51 -1.26 -4.81 117.35 117.20 2yt8 s TYR 75 Ca 0.06 -0.52 0.00 0.00 -1.01 0.00 0.00 57.07 55.61 2yt8 s TYR 75 Cb -0.17 -2.13 0.00 0.00 -0.11 0.00 0.00 41.96 39.55 2yt8 s TYR 75 CO 0.11 -0.07 0.00 0.41 -1.11 0.00 0.00 175.55 174.89 2yt8 n GLY 76 N -1.49 2.12 3.56 0.71 0.00 0.24 -4.16 105.19 106.17 2yt8 n GLY 76 Ca 0.03 0.39 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 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 2.80 -0.52 1.61 2.12 -1.26 -0.41 118.70 123.04 2yt8 s GLU 77 Ca 0.00 -0.39 -0.17 0.00 0.36 0.00 0.00 54.97 54.77 2yt8 s GLU 77 Cb 0.00 -5.05 0.10 0.00 0.26 0.00 0.00 34.13 29.44 2yt8 s GLU 77 CO 0.00 -3.04 0.53 0.08 -0.54 0.00 0.00 175.26 172.29 2yt8 s VAL 78 N 8.78 5.09 0.20 3.70 1.01 -0.67 -4.92 120.40 133.59 2yt8 s VAL 78 Ca 0.64 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 2yt8 s VAL 78 Cb -0.06 -4.30 -0.08 0.00 0.00 0.00 0.00 36.38 31.95 2yt8 s VAL 78 CO -0.01 -0.82 0.98 -1.00 0.00 0.00 0.00 175.10 174.25 2yt8 s HIS 79 N 1.98 3.86 -0.11 5.22 3.76 -1.26 -1.09 115.29 127.64 2yt8 s HIS 79 Ca 0.07 1.83 -0.02 0.00 -0.15 0.00 0.00 55.06 56.78 2yt8 s HIS 79 Cb -0.26 -3.06 0.04 0.00 1.11 0.00 0.00 32.58 30.42 2yt8 s HIS 79 CO 0.06 0.18 0.04 0.42 -0.85 0.00 0.00 174.74 174.59 2yt8 s ILE 80 N -0.71 0.25 -0.40 0.60 1.01 0.12 -1.12 121.20 120.95 2yt8 s ILE 80 Ca 0.44 -0.04 -0.25 0.00 0.00 0.00 0.00 60.65 60.80 2yt8 s ILE 80 Cb -0.26 -0.60 0.02 0.00 0.01 0.00 0.00 42.46 41.63 2yt8 s ILE 80 CO 0.32 0.04 0.89 -0.75 0.00 0.00 0.00 174.94 175.45 2yt8 s LYS 81 N 2.01 3.71 0.03 2.79 2.47 0.18 -0.62 119.74 130.31 2yt8 s LYS 81 Ca 0.03 0.37 0.01 0.00 -1.56 0.00 0.00 55.97 54.82 2yt8 s LYS 81 Cb -0.14 -3.85 -0.04 0.00 -1.46 0.00 0.00 37.83 32.34 2yt8 s LYS 81 CO -0.06 -1.03 0.07 0.95 0.16 0.00 0.00 175.35 175.44 2yt8 s THR 82 N 3.49 4.57 -0.21 3.43 -4.23 0.22 -2.45 115.64 120.45 2yt8 s THR 82 Ca 0.36 -0.58 -0.17 0.00 -1.18 0.00 0.00 61.69 60.13 2yt8 s THR 82 Cb -0.12 -3.12 0.06 0.00 1.34 0.00 0.00 72.50 70.66 2yt8 s THR 82 CO 0.21 0.27 0.54 -0.32 -0.54 0.00 0.00 174.62 174.78 2yt8 s MET 83 N -1.96 0.60 -0.21 3.99 0.00 0.53 -2.70 119.30 119.55 2yt8 s MET 83 Ca 0.25 0.82 -0.29 0.00 0.00 0.00 0.00 55.69 56.47 2yt8 s MET 83 Cb -0.12 0.23 -0.03 0.00 0.00 0.00 0.00 34.83 34.92 2yt8 s MET 83 CO 0.16 -0.10 1.60 -1.25 0.00 0.00 0.00 175.02 175.44 2yt8 s PRO 84 N 0.63 3.84 0.35 4.11 0.04 -1.26 0.28 135.00 142.99 2yt8 s PRO 84 Ca -0.03 1.69 0.15 0.00 0.04 0.00 0.00 61.00 62.86 2yt8 s PRO 84 Cb -0.05 -4.02 1.17 0.00 0.04 0.00 0.00 34.50 31.64 2yt8 s PRO 84 CO -0.04 -1.24 1.57 0.00 0.04 0.00 0.00 177.00 177.32 2yt8 n ALA 85 N 8.28 0.87 0.02 8.56 0.00 -1.26 -1.20 120.51 135.78 2yt8 n ALA 85 Ca 0.18 1.03 -0.03 0.00 0.00 0.00 0.00 53.44 54.62 2yt8 n ALA 85 Cb 0.45 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 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 1.99 -0.62 -0.55 0.00 0.00 -1.95 -0.99 119.26 117.13 2yt8 h ALA 86 Ca 0.77 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.71 2yt8 h ALA 86 Cb 1.95 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 20.24 2yt8 h ALA 86 CO -0.81 -0.65 -0.33 1.15 0.00 0.00 0.00 179.25 178.61 2yt8 h THR 87 N -0.15 0.00 -0.35 0.00 2.02 -1.56 -0.52 112.91 112.36 2yt8 h THR 87 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 2yt8 h THR 87 Cb 0.16 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.51 2yt8 h THR 87 CO -0.07 0.00 -0.31 0.22 0.37 0.00 0.00 175.52 175.73 2yt8 h TYR 88 N -0.00 -0.97 -0.98 3.16 5.03 -1.42 0.35 116.97 122.13 2yt8 h TYR 88 Ca 0.09 0.06 0.33 0.00 2.58 0.00 0.00 58.73 61.79 2yt8 h TYR 88 Cb 0.23 0.47 -0.16 0.00 1.55 0.00 0.00 36.73 38.82 2yt8 h TYR 88 CO -0.98 -0.24 0.42 0.00 -1.32 0.00 0.00 178.16 176.04 2yt8 h ARG 89 N -0.13 0.15 0.00 1.82 3.08 -0.30 1.63 114.38 120.63 2yt8 h ARG 89 Ca 0.06 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.98 2yt8 h ARG 89 Cb 0.28 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2yt8 h ARG 89 CO -0.40 0.10 -0.59 -0.07 -1.07 0.00 0.00 179.97 177.94 2yt8 h LEU 90 N 0.15 0.00 -0.19 3.04 3.38 0.96 -1.26 115.31 121.39 2yt8 h LEU 90 Ca 0.72 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.64 2yt8 h LEU 90 Cb 1.70 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 2yt8 h LEU 90 CO -0.71 0.59 -0.09 -0.07 0.09 0.00 0.00 178.44 178.25 2yt8 h LEU 91 N 0.00 0.41 -3.68 1.67 3.38 0.60 -3.08 115.31 114.60 2yt8 h LEU 91 Ca -0.01 -0.41 -0.19 0.00 0.09 0.00 0.00 57.88 57.37 2yt8 h LEU 91 Cb 1.08 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.60 2yt8 h LEU 91 CO 0.08 0.72 0.24 1.07 0.09 0.00 0.00 178.44 180.64 2yt8 n THR 92 N -4.58 2.89 -1.98 0.22 5.66 -0.32 -4.97 114.28 111.19 2yt8 n THR 92 Ca -0.05 -1.56 -0.42 0.00 -3.05 0.00 0.00 64.05 58.97 2yt8 n THR 92 Cb 0.31 -0.36 -0.03 0.00 -1.55 0.00 0.00 70.33 68.71 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 -0.94 1.61 0.00 1.09 0.00 -0.48 -5.01 107.32 103.59 2yt8 s GLY 93 Ca 0.54 1.15 0.00 0.00 0.00 0.00 0.00 44.72 46.41 2yt8 s GLY 93 CO 0.14 2.81 0.41 0.61 0.00 0.00 0.00 173.10 177.07