#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 -0.48 0.01 1.61 0.15 -1.26 -5.06 113.70 108.67 2yt8 s SER 2 Ca 0.00 0.66 -0.25 0.00 0.70 0.00 0.00 55.95 57.06 2yt8 s SER 2 Cb 0.00 1.52 -0.18 0.00 -1.71 0.00 0.00 66.02 65.65 2yt8 s SER 2 CO 0.00 -0.09 1.35 0.28 1.20 0.00 0.00 173.24 175.98 2yt8 h SER 3 N 7.30 -0.13 0.00 5.45 0.02 -2.04 -3.49 113.55 120.66 2yt8 h SER 3 Ca -0.16 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2yt8 h SER 3 Cb 1.12 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2yt8 h SER 3 CO 0.09 0.21 0.00 0.61 -1.14 0.00 0.00 176.83 176.60 2yt8 n GLY 4 N -0.24 -0.21 3.56 -3.77 0.00 -1.26 -5.13 105.19 98.14 2yt8 n GLY 4 Ca -0.09 0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2yt8 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yt8 n SER 5 N 0.00 0.53 -3.92 1.61 7.64 -1.26 -5.00 113.62 113.22 2yt8 n SER 5 Ca 0.00 0.95 -0.26 0.00 1.01 0.00 0.00 58.87 60.58 2yt8 n SER 5 Cb 0.00 -1.29 -0.17 0.00 -1.01 0.00 0.00 64.21 61.74 2yt8 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yt8 s SER 6 N -0.89 1.99 0.00 6.43 0.01 -1.26 -4.85 113.70 115.13 2yt8 s SER 6 Ca 0.65 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.63 2yt8 s SER 6 Cb -0.54 -0.79 0.00 0.00 0.21 0.00 0.00 66.02 64.90 2yt8 s SER 6 CO 0.56 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.73 2yt8 n GLY 7 N 4.66 2.98 3.25 3.44 0.00 -1.26 -5.11 105.19 113.15 2yt8 n GLY 7 Ca -0.15 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 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 1.72 -0.17 1.61 1.01 -1.26 -5.08 120.40 118.23 2yt8 s VAL 8 Ca 0.00 -1.13 -0.18 0.00 0.00 0.00 0.00 61.98 60.66 2yt8 s VAL 8 Cb 0.00 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 2yt8 s VAL 8 CO 0.00 0.30 0.51 -0.89 0.00 0.00 0.00 175.10 175.02 2yt8 s THR 9 N -0.71 5.13 0.23 3.92 2.01 -1.17 -5.01 115.64 120.05 2yt8 s THR 9 Ca 0.08 0.96 0.12 0.00 0.31 0.00 0.00 61.69 63.16 2yt8 s THR 9 Cb -0.09 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.54 2yt8 s THR 9 CO 0.01 0.23 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.06 2yt8 s THR 10 N 1.28 2.40 0.11 -0.82 2.01 -1.26 -0.47 115.64 118.89 2yt8 s THR 10 Ca 0.25 -2.21 0.00 0.00 0.31 0.00 0.00 61.69 60.04 2yt8 s THR 10 Cb -0.15 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 2yt8 s THR 10 CO 0.10 -0.25 -0.00 0.00 -0.69 0.00 0.00 174.62 173.77 2yt8 s ALA 11 N -2.08 0.93 -0.17 7.40 0.00 -0.41 -4.94 121.76 122.49 2yt8 s ALA 11 Ca 0.25 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.80 2yt8 s ALA 11 Cb -0.06 0.49 0.03 0.00 0.00 0.00 0.00 23.12 23.57 2yt8 s ALA 11 CO 0.12 -0.36 -0.14 0.42 0.00 0.00 0.00 175.76 175.80 2yt8 s ILE 12 N -3.83 1.70 -0.02 0.00 -1.09 -1.02 -2.06 121.20 114.88 2yt8 s ILE 12 Ca 0.17 -0.81 -0.02 0.00 -2.23 0.00 0.00 60.65 57.76 2yt8 s ILE 12 Cb 0.07 -1.63 -0.04 0.00 -1.58 0.00 0.00 42.46 39.28 2yt8 s ILE 12 CO -0.02 0.39 0.12 -0.63 -1.23 0.00 0.00 174.94 173.56 2yt8 s ILE 13 N 1.42 5.01 -0.37 2.92 -1.09 -0.29 -3.77 121.20 125.03 2yt8 s ILE 13 Ca 0.03 -0.26 -0.02 0.00 -2.23 0.00 0.00 60.65 58.17 2yt8 s ILE 13 Cb -0.14 -3.29 0.09 0.00 -1.58 0.00 0.00 42.46 37.54 2yt8 s ILE 13 CO -0.10 0.38 0.12 -1.00 -1.23 0.00 0.00 174.94 173.11 2yt8 s HIS 14 N -1.21 3.52 -0.86 3.97 3.76 -1.25 -1.46 115.29 121.77 2yt8 s HIS 14 Ca 0.23 -2.33 -0.06 0.00 -0.15 0.00 0.00 55.06 52.76 2yt8 s HIS 14 Cb -0.12 -2.85 0.22 0.00 1.11 0.00 0.00 32.58 30.93 2yt8 s HIS 14 CO 0.14 -0.92 0.75 1.03 -0.85 0.00 0.00 174.74 174.90 2yt8 s ARG 15 N 1.14 3.33 0.27 1.40 0.52 -0.03 -4.88 118.95 120.71 2yt8 s ARG 15 Ca 0.05 -2.94 0.05 0.00 -0.52 0.00 0.00 55.73 52.37 2yt8 s ARG 15 Cb -0.21 -4.10 0.39 0.00 0.52 0.00 0.00 34.95 31.54 2yt8 s ARG 15 CO -0.04 -1.24 1.66 -1.00 0.02 0.00 0.00 175.30 174.70 2yt8 h PRO 16 N 6.70 0.27 -5.71 3.54 0.13 -1.96 0.40 132.00 135.36 2yt8 h PRO 16 Ca 0.11 -0.14 -0.48 0.00 -0.87 0.00 0.00 66.00 64.62 2yt8 h PRO 16 Cb 0.90 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.82 2yt8 h PRO 16 CO 0.83 0.67 -0.80 -1.58 -0.23 0.00 0.00 178.00 176.89 2yt8 s HIS 17 N -4.07 1.49 -0.06 1.56 2.46 -1.26 -4.89 115.29 110.53 2yt8 s HIS 17 Ca -0.05 -0.45 0.10 0.00 0.47 0.00 0.00 55.06 55.14 2yt8 s HIS 17 Cb 0.13 -0.82 -0.23 0.00 -0.13 0.00 0.00 32.58 31.53 2yt8 s HIS 17 CO 0.78 0.13 0.61 0.00 -2.47 0.00 0.00 174.74 173.80 2yt8 n ALA 18 N 1.13 1.41 0.65 1.58 0.00 -1.26 -3.98 120.51 120.04 2yt8 n ALA 18 Ca -0.20 -0.75 -0.02 0.00 0.00 0.00 0.00 53.44 52.47 2yt8 n ALA 18 Cb 0.54 -0.82 0.04 0.00 0.00 0.00 0.00 19.45 19.22 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 -3.10 1.35 -5.08 0.00 5.12 -1.26 -4.78 116.66 108.92 2yt8 n ARG 19 Ca -0.19 -0.50 -0.30 0.00 -1.93 0.00 0.00 57.85 54.93 2yt8 n ARG 19 Cb 1.05 -1.34 -0.17 0.00 -1.16 0.00 0.00 32.46 30.85 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 -0.79 2.59 1.04 5.56 0.41 -1.26 -5.13 118.70 121.13 2yt8 s GLU 20 Ca 0.09 -0.77 -0.16 0.00 -0.41 0.00 0.00 54.97 53.71 2yt8 s GLU 20 Cb 0.08 -2.04 0.12 0.00 -1.78 0.00 0.00 34.13 30.50 2yt8 s GLU 20 CO 0.02 0.20 0.04 1.04 -0.49 0.00 0.00 175.26 176.07 2yt8 n GLN 21 N 3.43 -1.85 -0.02 1.61 6.02 -1.26 -5.00 117.38 120.31 2yt8 n GLN 21 Ca -0.19 -0.54 -0.04 0.00 -0.01 0.00 0.00 57.00 56.22 2yt8 n GLN 21 Cb 0.53 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.27 2yt8 n GLN 21 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2yt8 n LEU 22 N -0.94 1.29 0.00 1.08 4.77 -1.26 -5.01 117.00 116.93 2yt8 n LEU 22 Ca 0.03 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2yt8 n LEU 22 Cb 0.47 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2yt8 n LEU 22 CO 0.35 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.52 2yt8 n GLY 23 N 2.38 3.53 3.76 -0.72 0.00 -1.26 -3.91 105.19 108.98 2yt8 n GLY 23 Ca -0.06 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 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 3.75 -0.22 1.61 -0.71 -1.26 0.02 117.98 121.17 2yt8 s PHE 24 Ca 0.00 1.42 -0.08 0.00 -1.04 0.00 0.00 56.93 57.23 2yt8 s PHE 24 Cb 0.00 -2.75 -0.04 0.00 -1.21 0.00 0.00 43.02 39.02 2yt8 s PHE 24 CO 0.00 0.34 0.09 0.00 -1.34 0.00 0.00 175.22 174.31 2yt8 s VAL 26 N 0.99 3.83 -0.16 0.00 1.01 -1.26 -1.18 120.40 123.63 2yt8 s VAL 26 Ca 0.05 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 2yt8 s VAL 26 Cb -0.14 -2.58 0.05 0.00 0.00 0.00 0.00 36.38 33.71 2yt8 s VAL 26 CO 0.03 0.60 0.02 -1.61 0.00 0.00 0.00 175.10 174.14 2yt8 s GLU 27 N -0.77 0.68 -1.80 2.72 0.41 0.44 -4.79 118.70 115.59 2yt8 s GLU 27 Ca 0.12 -0.29 0.00 0.00 -0.41 0.00 0.00 54.97 54.39 2yt8 s GLU 27 Cb -0.11 -1.82 0.00 0.00 -1.78 0.00 0.00 34.13 30.42 2yt8 s GLU 27 CO 0.02 -0.54 0.00 -0.25 -0.49 0.00 0.00 175.26 173.99 2yt8 n ASP 28 N 5.07 -5.64 0.00 -0.19 9.92 -1.26 -1.41 116.55 123.04 2yt8 n ASP 28 Ca -0.09 0.09 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 2yt8 n ASP 28 Cb 0.48 -4.72 0.00 0.00 -0.64 0.00 0.00 41.12 36.24 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 -0.91 0.57 2.67 0.44 0.00 -1.26 -4.74 105.19 101.96 2yt8 n GLY 29 Ca -0.23 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.06 0.32 -0.61 1.01 -0.50 -1.76 121.20 117.60 2yt8 s ILE 30 Ca 0.00 0.31 -0.29 0.00 0.00 0.00 0.00 60.65 60.67 2yt8 s ILE 30 Cb 0.00 -0.25 -0.10 0.00 0.01 0.00 0.00 42.46 42.11 2yt8 s ILE 30 CO 0.00 0.12 1.40 -0.63 0.00 0.00 0.00 174.94 175.83 2yt8 s ILE 31 N 2.14 2.50 -0.05 2.92 1.01 -1.16 -0.42 121.20 128.14 2yt8 s ILE 31 Ca 0.04 0.48 -0.02 0.00 0.00 0.00 0.00 60.65 61.15 2yt8 s ILE 31 Cb -0.13 -3.30 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 2yt8 s ILE 31 CO -0.04 0.10 -0.07 0.00 0.00 0.00 0.00 174.94 174.94 2yt8 s SER 33 N -5.40 2.57 -0.06 0.00 0.01 -1.25 -4.63 113.70 104.94 2yt8 s SER 33 Ca -0.07 -0.86 0.01 0.00 1.31 0.00 0.00 55.95 56.34 2yt8 s SER 33 Cb 0.03 -0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.14 2yt8 s SER 33 CO 0.10 -0.06 -0.06 -0.22 0.41 0.00 0.00 173.24 173.41 2yt8 s LEU 34 N -2.65 1.28 -0.51 2.44 0.20 -1.26 -0.47 118.68 117.71 2yt8 s LEU 34 Ca 0.15 -0.18 -0.27 0.00 0.69 0.00 0.00 54.13 54.52 2yt8 s LEU 34 Cb -0.05 -0.58 -0.03 0.00 -0.43 0.00 0.00 46.19 45.09 2yt8 s LEU 34 CO 0.06 -0.06 1.99 -0.22 -0.29 0.00 0.00 176.35 177.83 2yt8 s LEU 35 N 1.10 3.37 -0.07 -0.68 2.96 0.10 -4.91 118.68 120.55 2yt8 s LEU 35 Ca -0.08 0.77 -0.29 0.00 -0.22 0.00 0.00 54.13 54.31 2yt8 s LEU 35 Cb -0.14 -2.76 -0.07 0.00 0.50 0.00 0.00 46.19 43.71 2yt8 s LEU 35 CO -0.01 -2.34 2.08 -1.14 -1.32 0.00 0.00 176.35 173.62 2yt8 n ARG 36 N 8.97 2.50 0.00 1.98 3.00 -1.26 -2.33 116.66 129.53 2yt8 n ARG 36 Ca 0.25 0.84 0.00 0.00 -0.00 0.00 0.00 57.85 58.94 2yt8 n ARG 36 Cb 0.51 -3.11 0.00 0.00 0.00 0.00 0.00 32.46 29.86 2yt8 n ARG 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2yt8 n GLY 37 N 5.06 1.91 0.00 5.14 0.00 -1.26 -5.11 105.19 110.94 2yt8 n GLY 37 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.90 5.39 0.07 -0.02 0.00 -0.98 -5.09 105.19 103.66 2yt8 n GLY 38 Ca 0.00 -1.81 -0.07 0.00 0.00 0.00 0.00 46.02 44.15 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 0.27 -0.57 -0.61 2.04 -1.86 -3.35 117.51 113.43 2yt8 h ILE 39 Ca 0.00 -1.27 0.05 0.00 1.00 0.00 0.00 64.86 64.64 2yt8 h ILE 39 Cb 0.00 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 36.59 2yt8 h ILE 39 CO 0.00 0.09 -0.33 0.00 0.00 0.00 0.00 178.15 177.91 2yt8 n ALA 40 N -3.29 -0.36 -0.25 1.87 0.00 -1.26 -0.27 120.51 116.95 2yt8 n ALA 40 Ca -0.09 0.48 -0.11 0.00 0.00 0.00 0.00 53.44 53.72 2yt8 n ALA 40 Cb 0.27 0.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.21 -0.81 0.00 4.81 -1.81 0.31 114.58 116.87 2yt8 h GLU 41 Ca 0.09 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.44 2yt8 h GLU 41 Cb 0.23 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.59 2yt8 h GLU 41 CO -0.53 -0.14 0.45 0.00 -0.73 0.00 0.00 179.01 178.05 2yt8 h ARG 42 N -0.22 0.71 -0.57 1.92 3.08 -0.77 -1.94 114.38 116.59 2yt8 h ARG 42 Ca 0.14 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 2yt8 h ARG 42 Cb 0.53 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 2yt8 h ARG 42 CO -0.74 0.47 0.31 0.78 -1.07 0.00 0.00 179.97 179.72 2yt8 h GLY 43 N 0.73 0.86 0.00 0.04 0.00 0.23 -3.47 103.07 101.46 2yt8 h GLY 43 Ca 0.40 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2yt8 h GLY 43 CO -0.27 0.37 0.00 0.61 0.00 0.00 0.00 176.54 177.26 2yt8 n GLY 44 N -1.03 1.19 3.73 4.60 0.00 0.78 -2.43 105.19 112.03 2yt8 n GLY 44 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 4.69 -0.12 -0.61 -1.09 -0.83 -4.66 121.20 117.40 2yt8 s ILE 45 Ca 0.00 1.86 0.01 0.00 -2.23 0.00 0.00 60.65 60.29 2yt8 s ILE 45 Cb 0.00 -4.22 0.02 0.00 -1.58 0.00 0.00 42.46 36.68 2yt8 s ILE 45 CO 0.00 0.30 -0.13 -0.13 -1.23 0.00 0.00 174.94 173.76 2yt8 s ARG 46 N 0.20 2.02 0.35 2.79 1.81 -1.26 -4.58 118.95 120.29 2yt8 s ARG 46 Ca 0.44 -0.47 -0.28 0.00 -1.72 0.00 0.00 55.73 53.69 2yt8 s ARG 46 Cb -0.21 -1.82 -0.10 0.00 -0.45 0.00 0.00 34.95 32.36 2yt8 s ARG 46 CO 0.26 -0.15 1.37 0.14 -0.68 0.00 0.00 175.30 176.25 2yt8 s VAL 47 N 1.25 2.47 0.00 3.52 -7.23 -1.26 -3.35 120.40 115.80 2yt8 s VAL 47 Ca -0.02 0.47 0.00 0.00 -1.81 0.00 0.00 61.98 60.62 2yt8 s VAL 47 Cb -0.14 -3.30 0.00 0.00 0.56 0.00 0.00 36.38 33.50 2yt8 s VAL 47 CO -0.05 0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.46 2yt8 n GLY 48 N 0.67 0.96 3.33 2.32 0.00 0.15 -4.94 105.19 107.68 2yt8 n GLY 48 Ca 0.00 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 2.44 -0.00 1.61 3.76 -1.21 -4.66 115.29 115.22 2yt8 s HIS 49 Ca 0.00 -0.47 -0.20 0.00 -0.15 0.00 0.00 55.06 54.25 2yt8 s HIS 49 Cb 0.00 -1.56 -0.05 0.00 1.11 0.00 0.00 32.58 32.08 2yt8 s HIS 49 CO 0.00 -0.05 0.56 0.50 -0.85 0.00 0.00 174.74 174.90 2yt8 s ARG 50 N -0.49 4.27 0.03 1.40 6.06 0.18 -3.00 118.95 127.39 2yt8 s ARG 50 Ca 0.06 0.68 -0.28 0.00 -2.50 0.00 0.00 55.73 53.69 2yt8 s ARG 50 Cb -0.11 -3.33 -0.04 0.00 0.06 0.00 0.00 34.95 31.53 2yt8 s ARG 50 CO 0.01 0.41 0.88 0.42 -2.50 0.00 0.00 175.30 174.52 2yt8 s ILE 51 N -0.31 4.78 0.00 4.11 -1.09 -0.72 -0.67 121.20 127.29 2yt8 s ILE 51 Ca 0.30 1.87 0.00 0.00 -2.23 0.00 0.00 60.65 60.58 2yt8 s ILE 51 Cb -0.18 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.47 2yt8 s ILE 51 CO 0.16 0.26 0.00 2.30 -1.23 0.00 0.00 174.94 176.43 2yt8 n ILE 52 N 3.36 0.00 -3.61 2.92 -5.35 -1.07 -3.94 119.36 111.66 2yt8 n ILE 52 Ca 0.02 -0.37 -0.16 0.00 -0.27 0.00 0.00 62.75 61.97 2yt8 n ILE 52 Cb 0.50 0.90 -0.07 0.00 -1.74 0.00 0.00 39.64 39.23 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 -1.07 0.89 -0.13 6.28 2.12 -1.24 -2.45 118.70 123.11 2yt8 s GLU 53 Ca 0.00 0.22 -0.10 0.00 0.36 0.00 0.00 54.97 55.45 2yt8 s GLU 53 Cb 0.00 0.42 0.04 0.00 0.26 0.00 0.00 34.13 34.85 2yt8 s GLU 53 CO 0.00 -0.25 0.34 0.96 -0.54 0.00 0.00 175.26 175.77 2yt8 s ILE 54 N -0.99 -0.01 -0.04 -3.70 -5.25 0.47 -1.51 121.20 110.16 2yt8 s ILE 54 Ca -0.10 0.05 -0.01 0.00 -0.99 0.00 0.00 60.65 59.60 2yt8 s ILE 54 Cb -0.02 -0.49 0.01 0.00 2.95 0.00 0.00 42.46 44.91 2yt8 s ILE 54 CO 0.07 0.02 0.01 0.59 -1.79 0.00 0.00 174.94 173.84 2yt8 n ASN 55 N 3.48 -0.93 -0.36 4.36 3.02 0.18 0.21 115.26 125.23 2yt8 n ASN 55 Ca -0.18 0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 2yt8 n ASN 55 Cb 0.56 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 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 -0.47 0.89 2.76 7.41 0.00 -1.26 -4.95 105.19 109.57 2yt8 n GLY 56 Ca 0.00 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.22 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 -4.24 -0.03 -0.05 1.61 -1.52 0.58 -5.12 119.66 110.89 2yt8 s GLN 57 Ca 0.00 0.34 -0.30 0.00 -1.95 0.00 0.00 55.36 53.45 2yt8 s GLN 57 Cb 0.00 -0.35 -0.05 0.00 -0.22 0.00 0.00 33.01 32.39 2yt8 s GLN 57 CO 0.00 -0.25 1.59 -1.54 -0.25 0.00 0.00 175.29 174.84 2yt8 s SER 58 N 1.70 6.71 -0.05 5.90 1.04 -1.26 -0.39 113.70 127.35 2yt8 s SER 58 Ca -0.02 2.19 0.08 0.00 0.48 0.00 0.00 55.95 58.68 2yt8 s SER 58 Cb -0.12 -2.54 0.12 0.00 0.10 0.00 0.00 66.02 63.58 2yt8 s SER 58 CO -0.04 -0.89 1.06 1.33 0.98 0.00 0.00 173.24 175.69 2yt8 n VAL 59 N 5.32 0.68 0.19 5.02 0.24 -1.02 -4.76 118.33 124.01 2yt8 n VAL 59 Ca 0.16 -0.87 0.14 0.00 -2.04 0.00 0.00 64.34 61.74 2yt8 n VAL 59 Cb 0.43 0.25 0.74 0.00 -1.47 0.00 0.00 33.84 33.79 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 4.51 0.74 0.00 3.34 3.04 -1.67 -3.02 116.25 123.19 2yt8 h VAL 60 Ca -0.01 0.00 -0.24 0.00 -1.01 0.00 0.00 66.70 65.45 2yt8 h VAL 60 Cb 1.27 0.90 -0.04 0.00 -2.01 0.00 0.00 31.29 31.41 2yt8 h VAL 60 CO 0.00 0.00 -1.89 0.00 -1.01 0.00 0.00 177.57 174.67 2yt8 n ALA 61 N -2.48 1.67 -1.47 3.17 0.00 -1.26 -4.95 120.51 115.17 2yt8 n ALA 61 Ca 0.01 -0.72 -0.48 0.00 0.00 0.00 0.00 53.44 52.25 2yt8 n ALA 61 Cb 0.27 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 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 -2.81 1.80 -1.44 0.00 -1.04 -1.14 -4.91 114.28 104.73 2yt8 n THR 62 Ca -0.26 -0.45 -0.32 0.00 -2.04 0.00 0.00 64.05 60.98 2yt8 n THR 62 Cb 0.83 -0.36 0.08 0.00 -1.82 0.00 0.00 70.33 69.06 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 2.45 0.13 -2.82 0.04 -1.26 -4.83 135.00 127.65 2yt8 s PRO 63 Ca 0.65 1.25 -0.27 0.00 0.04 0.00 0.00 61.00 62.67 2yt8 s PRO 63 Cb -0.88 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 31.70 2yt8 s PRO 63 CO 0.57 -1.50 1.62 1.25 0.04 0.00 0.00 177.00 178.97 2yt8 h HIS 64 N -0.70 -0.85 -0.93 0.56 -0.00 -1.91 -0.89 115.15 110.43 2yt8 h HIS 64 Ca -0.45 0.03 0.09 0.00 -0.00 0.00 0.00 60.37 60.04 2yt8 h HIS 64 Cb 1.24 0.38 -0.12 0.00 -0.00 0.00 0.00 27.41 28.91 2yt8 h HIS 64 CO 0.57 -0.40 -0.53 0.00 -0.00 0.00 0.00 177.93 177.56 2yt8 n ALA 65 N -2.76 -0.55 -0.17 5.26 0.00 -1.26 0.82 120.51 121.86 2yt8 n ALA 65 Ca -0.05 0.80 -0.01 0.00 0.00 0.00 0.00 53.44 54.19 2yt8 n ALA 65 Cb 0.32 -0.16 0.23 0.00 0.00 0.00 0.00 19.45 19.85 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 0.90 -0.09 0.00 9.65 -1.87 -1.80 114.38 121.17 2yt8 h ARG 66 Ca 0.16 -0.10 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 2yt8 h ARG 66 Cb 0.40 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 2yt8 h ARG 66 CO -0.88 0.67 -0.01 0.82 2.80 0.00 0.00 179.97 183.38 2yt8 h ILE 67 N 0.90 1.06 -0.07 1.20 2.04 0.19 -2.08 117.51 120.75 2yt8 h ILE 67 Ca 0.23 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 2yt8 h ILE 67 Cb 0.06 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2yt8 h ILE 67 CO -0.03 0.08 -0.13 0.40 0.00 0.00 0.00 178.15 178.46 2yt8 h ILE 68 N 0.12 1.41 -0.66 -0.67 1.08 0.21 -2.52 117.51 116.49 2yt8 h ILE 68 Ca 0.03 -1.44 0.02 0.00 -0.39 0.00 0.00 64.86 63.08 2yt8 h ILE 68 Cb 0.10 2.20 -0.04 0.00 -3.07 0.00 0.00 36.82 36.01 2yt8 h ILE 68 CO 0.00 0.40 0.44 -0.33 -0.69 0.00 0.00 178.15 177.97 2yt8 h GLU 69 N -0.28 0.81 0.07 2.37 4.39 -1.26 -2.14 114.58 118.55 2yt8 h GLU 69 Ca 0.00 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2yt8 h GLU 69 Cb 0.72 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2yt8 h GLU 69 CO 0.03 0.53 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.31 2yt8 h LEU 70 N 0.83 -0.08 -0.98 1.33 3.38 -1.38 -0.17 115.31 118.24 2yt8 h LEU 70 Ca 0.25 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.47 2yt8 h LEU 70 Cb -0.00 0.02 -0.18 0.00 0.09 0.00 0.00 40.66 40.59 2yt8 h LEU 70 CO -0.06 -0.04 -0.06 -0.07 0.09 0.00 0.00 178.44 178.30 2yt8 h LEU 71 N -0.14 -0.61 -0.68 1.67 3.38 -1.45 0.91 115.31 118.39 2yt8 h LEU 71 Ca -0.01 0.28 -0.08 0.00 0.09 0.00 0.00 57.88 58.16 2yt8 h LEU 71 Cb 0.08 0.52 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2yt8 h LEU 71 CO 0.02 -0.34 0.08 0.74 0.09 0.00 0.00 178.44 179.02 2yt8 h THR 72 N 0.01 1.26 0.00 0.22 2.02 -1.44 -2.33 112.91 112.66 2yt8 h THR 72 Ca 0.56 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 2yt8 h THR 72 Cb 1.07 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2yt8 h THR 72 CO -0.95 0.40 -0.01 -0.33 0.37 0.00 0.00 175.52 175.01 2yt8 h GLU 73 N 1.02 0.00 -4.86 6.66 5.08 0.27 -3.39 114.58 119.37 2yt8 h GLU 73 Ca 0.20 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.91 2yt8 h GLU 73 Cb 0.48 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.55 2yt8 h GLU 73 CO 0.02 0.01 -0.52 0.00 -1.00 0.00 0.00 179.01 177.52 2yt8 s ALA 74 N -4.41 3.50 0.38 3.43 0.00 -0.54 -5.08 121.76 119.04 2yt8 s ALA 74 Ca -0.05 -1.16 0.08 0.00 0.00 0.00 0.00 51.96 50.83 2yt8 s ALA 74 Cb 0.14 -2.50 -0.05 0.00 0.00 0.00 0.00 23.12 20.71 2yt8 s ALA 74 CO 0.50 -0.65 0.16 0.71 0.00 0.00 0.00 175.76 176.48 2yt8 s TYR 75 N 1.74 2.65 0.00 0.00 1.51 -1.26 -4.91 117.35 117.08 2yt8 s TYR 75 Ca 0.07 -0.48 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 2yt8 s TYR 75 Cb -0.16 -1.79 0.00 0.00 -0.11 0.00 0.00 41.96 39.90 2yt8 s TYR 75 CO 0.10 0.26 0.00 0.41 -1.11 0.00 0.00 175.55 175.21 2yt8 n GLY 76 N -1.19 2.12 3.60 0.71 0.00 0.14 -4.65 105.19 105.92 2yt8 n GLY 76 Ca -0.02 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 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 3.72 -0.12 1.61 2.12 -1.26 -0.85 118.70 123.93 2yt8 s GLU 77 Ca 0.00 0.55 0.02 0.00 0.36 0.00 0.00 54.97 55.90 2yt8 s GLU 77 Cb 0.00 -3.90 -0.00 0.00 0.26 0.00 0.00 34.13 30.48 2yt8 s GLU 77 CO 0.00 -1.35 -0.19 0.08 -0.54 0.00 0.00 175.26 173.26 2yt8 s VAL 78 N 4.35 2.46 -0.35 3.70 1.01 -0.53 -4.98 120.40 126.06 2yt8 s VAL 78 Ca 0.47 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 2yt8 s VAL 78 Cb -0.08 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.32 2yt8 s VAL 78 CO 0.30 0.54 0.22 -1.00 0.00 0.00 0.00 175.10 175.17 2yt8 s HIS 79 N 0.42 3.22 -0.21 5.22 3.76 -1.26 -1.14 115.29 125.30 2yt8 s HIS 79 Ca -0.14 -0.56 -0.03 0.00 -0.15 0.00 0.00 55.06 54.17 2yt8 s HIS 79 Cb -0.17 -2.46 -0.01 0.00 1.11 0.00 0.00 32.58 31.06 2yt8 s HIS 79 CO 0.06 -0.50 -0.06 0.42 -0.85 0.00 0.00 174.74 173.81 2yt8 s ILE 80 N 1.64 3.30 -0.46 0.60 1.01 -0.88 0.49 121.20 126.91 2yt8 s ILE 80 Ca 0.04 -0.52 -0.18 0.00 0.00 0.00 0.00 60.65 59.99 2yt8 s ILE 80 Cb -0.18 -2.48 0.04 0.00 0.01 0.00 0.00 42.46 39.84 2yt8 s ILE 80 CO 0.08 0.44 0.54 -0.75 0.00 0.00 0.00 174.94 175.26 2yt8 s LYS 81 N 1.31 3.13 0.03 2.79 2.20 -0.57 -1.28 119.74 127.34 2yt8 s LYS 81 Ca 0.04 -0.78 -0.08 0.00 -0.36 0.00 0.00 55.97 54.79 2yt8 s LYS 81 Cb -0.14 -4.03 -0.05 0.00 -1.51 0.00 0.00 37.83 32.10 2yt8 s LYS 81 CO -0.03 -1.04 0.31 0.95 -0.36 0.00 0.00 175.35 175.19 2yt8 s THR 82 N 2.41 5.23 -0.13 3.43 -4.23 0.38 -2.61 115.64 120.12 2yt8 s THR 82 Ca 0.15 0.27 -0.11 0.00 -1.18 0.00 0.00 61.69 60.82 2yt8 s THR 82 Cb -0.18 -3.60 0.04 0.00 1.34 0.00 0.00 72.50 70.11 2yt8 s THR 82 CO 0.13 0.34 0.34 -0.32 -0.54 0.00 0.00 174.62 174.58 2yt8 s MET 83 N -1.80 0.38 -0.18 3.99 0.00 0.16 -3.02 119.30 118.83 2yt8 s MET 83 Ca 0.29 0.54 -0.29 0.00 0.00 0.00 0.00 55.69 56.23 2yt8 s MET 83 Cb -0.13 0.12 -0.03 0.00 0.00 0.00 0.00 34.83 34.78 2yt8 s MET 83 CO 0.17 -0.08 1.58 -1.25 0.00 0.00 0.00 175.02 175.44 2yt8 s PRO 84 N 0.52 3.92 0.36 4.11 0.04 -1.26 0.49 135.00 143.19 2yt8 s PRO 84 Ca -0.03 1.77 0.23 0.00 0.04 0.00 0.00 61.00 63.02 2yt8 s PRO 84 Cb -0.04 -4.00 1.27 0.00 0.04 0.00 0.00 34.50 31.77 2yt8 s PRO 84 CO -0.03 -1.14 1.41 0.00 0.04 0.00 0.00 177.00 177.29 2yt8 n ALA 85 N 7.97 1.05 0.01 8.56 0.00 -1.26 -1.00 120.51 135.84 2yt8 n ALA 85 Ca 0.18 0.86 -0.01 0.00 0.00 0.00 0.00 53.44 54.46 2yt8 n ALA 85 Cb 0.45 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 18.96 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 1.64 -0.65 -0.26 0.00 0.00 -1.96 -0.94 119.26 117.10 2yt8 h ALA 86 Ca 0.77 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.70 2yt8 h ALA 86 Cb 2.24 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 20.42 2yt8 h ALA 86 CO -0.58 -0.65 -0.18 1.15 0.00 0.00 0.00 179.25 178.99 2yt8 h THR 87 N -0.07 0.00 -0.75 0.00 2.02 -1.47 -0.05 112.91 112.60 2yt8 h THR 87 Ca -0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 2yt8 h THR 87 Cb 0.06 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.38 2yt8 h THR 87 CO -0.02 0.00 -0.46 0.22 0.37 0.00 0.00 175.52 175.63 2yt8 h TYR 88 N -0.03 -1.47 -1.03 3.16 5.03 -1.53 0.81 116.97 121.90 2yt8 h TYR 88 Ca 0.04 0.10 0.28 0.00 2.58 0.00 0.00 58.73 61.73 2yt8 h TYR 88 Cb 0.14 0.74 -0.12 0.00 1.55 0.00 0.00 36.73 39.04 2yt8 h TYR 88 CO -0.88 -0.29 0.62 0.00 -1.32 0.00 0.00 178.16 176.29 2yt8 h ARG 89 N -0.02 0.43 0.00 1.82 2.47 -0.34 0.81 114.38 119.56 2yt8 h ARG 89 Ca 0.12 -0.03 -0.14 0.00 -1.26 0.00 0.00 59.98 58.68 2yt8 h ARG 89 Cb 0.33 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 2yt8 h ARG 89 CO -0.72 0.29 -0.66 -0.07 0.56 0.00 0.00 179.97 179.37 2yt8 h LEU 90 N 0.44 0.00 -0.14 3.04 3.38 0.22 -3.00 115.31 119.26 2yt8 h LEU 90 Ca 0.67 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.58 2yt8 h LEU 90 Cb 1.49 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.23 2yt8 h LEU 90 CO -0.47 0.66 -0.14 -0.07 0.09 0.00 0.00 178.44 178.52 2yt8 h LEU 91 N 0.00 0.37 -1.95 1.67 3.38 0.50 -2.98 115.31 116.29 2yt8 h LEU 91 Ca -0.01 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 2yt8 h LEU 91 Cb 1.21 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 2yt8 h LEU 91 CO 0.09 0.77 0.04 0.35 0.09 0.00 0.00 178.44 179.77 2yt8 n THR 92 N -4.57 1.02 0.00 0.22 -2.24 -0.26 -4.78 114.28 103.67 2yt8 n THR 92 Ca -0.06 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 2yt8 n THR 92 Cb 0.36 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 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 0.16 0.68 0.00 3.38 0.00 -1.13 -5.04 105.19 103.24 2yt8 n GLY 93 Ca 0.11 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.14 2yt8 n GLY 93 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26