#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 3.82 -4.56 1.61 7.64 -1.26 -5.08 113.62 115.79 2yt8 n SER 2 Ca 0.00 -3.24 -0.26 0.00 1.01 0.00 0.00 58.87 56.38 2yt8 n SER 2 Cb 0.00 -0.41 0.12 0.00 -1.01 0.00 0.00 64.21 62.92 2yt8 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yt8 s SER 3 N -3.61 4.07 0.00 6.43 0.01 -1.26 -5.11 113.70 114.24 2yt8 s SER 3 Ca 0.43 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.63 2yt8 s SER 3 Cb 0.39 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.35 2yt8 s SER 3 CO -0.01 -2.06 0.00 0.61 0.41 0.00 0.00 173.24 172.18 2yt8 n GLY 4 N -3.10 0.56 3.39 3.44 0.00 -1.26 -5.02 105.19 103.20 2yt8 n GLY 4 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 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 0.02 6.15 -0.01 1.61 1.04 -1.26 -5.04 113.70 116.21 2yt8 s SER 5 Ca 0.00 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.11 2yt8 s SER 5 Cb 0.00 -2.19 0.02 0.00 0.10 0.00 0.00 66.02 63.95 2yt8 s SER 5 CO 0.00 -0.65 0.02 -0.44 0.98 0.00 0.00 173.24 173.14 2yt8 s SER 6 N 2.61 0.07 0.00 7.02 0.01 -1.26 -4.91 113.70 117.24 2yt8 s SER 6 Ca 0.04 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.32 2yt8 s SER 6 Cb -0.24 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 65.94 2yt8 s SER 6 CO 0.07 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.25 2yt8 n GLY 7 N 3.74 1.61 3.50 3.44 0.00 -1.26 -4.86 105.19 111.36 2yt8 n GLY 7 Ca -0.22 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 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 4.61 -0.28 1.61 1.01 -1.26 -4.87 120.40 121.22 2yt8 s VAL 8 Ca 0.00 -0.07 -0.28 0.00 0.00 0.00 0.00 61.98 61.63 2yt8 s VAL 8 Cb 0.00 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.23 2yt8 s VAL 8 CO 0.00 0.33 1.01 -0.89 0.00 0.00 0.00 175.10 175.55 2yt8 s THR 9 N 1.52 4.63 -0.21 3.92 2.01 -1.07 -4.91 115.64 121.53 2yt8 s THR 9 Ca 0.06 1.78 -0.07 0.00 0.31 0.00 0.00 61.69 63.77 2yt8 s THR 9 Cb -0.15 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.00 2yt8 s THR 9 CO 0.05 -0.30 0.06 -0.89 -0.69 0.00 0.00 174.62 172.85 2yt8 s THR 10 N 3.33 4.56 0.09 -0.82 2.01 -1.26 -1.29 115.64 122.26 2yt8 s THR 10 Ca 0.43 -0.10 0.08 0.00 0.31 0.00 0.00 61.69 62.40 2yt8 s THR 10 Cb -0.14 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 2yt8 s THR 10 CO 0.11 0.40 -0.21 0.00 -0.69 0.00 0.00 174.62 174.23 2yt8 s ALA 11 N 0.95 1.79 -0.05 7.40 0.00 -0.46 -5.00 121.76 126.39 2yt8 s ALA 11 Ca 0.04 -1.21 0.05 0.00 0.00 0.00 0.00 51.96 50.84 2yt8 s ALA 11 Cb -0.14 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.72 2yt8 s ALA 11 CO 0.03 0.37 -0.20 0.42 0.00 0.00 0.00 175.76 176.38 2yt8 s ILE 12 N -1.10 1.63 0.14 0.00 1.01 -1.25 -0.95 121.20 120.69 2yt8 s ILE 12 Ca 0.06 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 59.98 2yt8 s ILE 12 Cb -0.10 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 2yt8 s ILE 12 CO 0.04 0.46 -0.12 -0.63 0.00 0.00 0.00 174.94 174.69 2yt8 s ILE 13 N 0.03 3.14 -0.38 2.92 -1.09 -0.72 -4.17 121.20 120.93 2yt8 s ILE 13 Ca -0.05 -1.52 -0.05 0.00 -2.23 0.00 0.00 60.65 56.79 2yt8 s ILE 13 Cb -0.13 -2.50 0.08 0.00 -1.58 0.00 0.00 42.46 38.33 2yt8 s ILE 13 CO 0.03 0.00 0.17 -1.00 -1.23 0.00 0.00 174.94 172.91 2yt8 s HIS 14 N -1.43 3.39 -0.62 3.97 3.76 -1.26 -1.71 115.29 121.39 2yt8 s HIS 14 Ca 0.22 -1.86 0.01 0.00 -0.15 0.00 0.00 55.06 53.28 2yt8 s HIS 14 Cb -0.10 -2.78 0.16 0.00 1.11 0.00 0.00 32.58 30.97 2yt8 s HIS 14 CO 0.13 -0.86 0.41 1.03 -0.85 0.00 0.00 174.74 174.60 2yt8 s ARG 15 N 1.30 2.39 0.23 1.40 0.52 -0.58 -4.92 118.95 119.29 2yt8 s ARG 15 Ca 0.02 -2.78 -0.00 0.00 -0.52 0.00 0.00 55.73 52.45 2yt8 s ARG 15 Cb -0.22 -3.54 0.24 0.00 0.52 0.00 0.00 34.95 31.95 2yt8 s ARG 15 CO -0.00 -1.18 1.59 -1.00 0.02 0.00 0.00 175.30 174.73 2yt8 h PRO 16 N 6.44 0.49 -6.68 3.54 0.13 -1.95 0.49 132.00 134.46 2yt8 h PRO 16 Ca 0.00 -0.26 -0.68 0.00 -0.87 0.00 0.00 66.00 64.20 2yt8 h PRO 16 Cb 0.88 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 31.84 2yt8 h PRO 16 CO 0.72 0.84 -0.79 -1.58 -0.23 0.00 0.00 178.00 176.95 2yt8 s HIS 17 N -4.16 2.57 -0.03 1.56 2.46 -1.26 -4.73 115.29 111.70 2yt8 s HIS 17 Ca -0.07 -0.24 0.10 0.00 0.47 0.00 0.00 55.06 55.32 2yt8 s HIS 17 Cb 0.12 -1.37 -0.23 0.00 -0.13 0.00 0.00 32.58 30.97 2yt8 s HIS 17 CO 0.82 0.38 0.71 0.00 -2.47 0.00 0.00 174.74 174.18 2yt8 h ALA 18 N 3.78 0.70 -0.19 1.58 0.00 -1.93 -3.33 119.26 119.87 2yt8 h ALA 18 Ca -0.50 -1.40 -0.09 0.00 0.00 0.00 0.00 54.91 52.92 2yt8 h ALA 18 Cb 1.17 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 19.34 2yt8 h ALA 18 CO 0.47 1.53 0.12 0.54 0.00 0.00 0.00 179.25 181.91 2yt8 n ARG 19 N -3.11 1.29 -4.69 0.00 1.74 -1.26 -4.78 116.66 105.85 2yt8 n ARG 19 Ca -0.16 -0.60 -0.31 0.00 -0.77 0.00 0.00 57.85 56.02 2yt8 n ARG 19 Cb 1.04 -1.27 -0.17 0.00 -1.02 0.00 0.00 32.46 31.04 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 2.69 1.05 5.56 0.41 -1.25 -5.12 118.70 121.33 2yt8 s GLU 20 Ca 0.11 -0.74 -0.23 0.00 -0.41 0.00 0.00 54.97 53.70 2yt8 s GLU 20 Cb 0.09 -2.18 -0.06 0.00 -1.78 0.00 0.00 34.13 30.20 2yt8 s GLU 20 CO 0.02 0.01 -0.84 1.04 -0.49 0.00 0.00 175.26 175.00 2yt8 n GLN 21 N 4.01 -0.70 -0.14 1.61 6.02 -1.26 -4.97 117.38 121.95 2yt8 n GLN 21 Ca -0.20 -0.20 -0.26 0.00 -0.01 0.00 0.00 57.00 56.33 2yt8 n GLN 21 Cb 0.52 -1.31 -0.11 0.00 1.02 0.00 0.00 30.24 30.36 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 1.20 2.28 0.00 1.08 4.77 -1.26 -5.03 117.00 120.03 2yt8 n LEU 22 Ca -0.01 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2yt8 n LEU 22 Cb 0.69 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2yt8 n LEU 22 CO 0.47 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.83 2yt8 n GLY 23 N 1.57 3.16 3.75 -0.72 0.00 -1.26 -4.30 105.19 107.39 2yt8 n GLY 23 Ca -0.52 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.21 3.61 -0.28 1.61 -0.71 -1.26 0.18 117.98 120.91 2yt8 s PHE 24 Ca 0.00 1.04 -0.15 0.00 -1.04 0.00 0.00 56.93 56.77 2yt8 s PHE 24 Cb 0.00 -2.55 -0.03 0.00 -1.21 0.00 0.00 43.02 39.22 2yt8 s PHE 24 CO 0.00 0.29 0.38 0.00 -1.34 0.00 0.00 175.22 174.55 2yt8 s VAL 26 N 2.09 3.83 -0.21 0.00 1.01 -1.26 -1.15 120.40 124.71 2yt8 s VAL 26 Ca 0.15 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 2yt8 s VAL 26 Cb -0.16 -2.61 0.06 0.00 0.00 0.00 0.00 36.38 33.67 2yt8 s VAL 26 CO 0.10 0.56 -0.02 -1.61 0.00 0.00 0.00 175.10 174.14 2yt8 s GLU 27 N -0.40 1.22 -1.62 2.72 8.01 0.47 -4.76 118.70 124.34 2yt8 s GLU 27 Ca 0.06 -0.70 0.00 0.00 0.01 0.00 0.00 54.97 54.34 2yt8 s GLU 27 Cb -0.12 -2.32 0.00 0.00 -4.31 0.00 0.00 34.13 27.38 2yt8 s GLU 27 CO 0.02 -0.59 0.00 -0.25 0.01 0.00 0.00 175.26 174.45 2yt8 n ASP 28 N 4.85 -5.37 0.00 -0.19 8.00 -1.26 -1.82 116.55 120.75 2yt8 n ASP 28 Ca -0.11 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.41 2yt8 n ASP 28 Cb 0.46 -4.44 0.00 0.00 -0.02 0.00 0.00 41.12 37.12 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 -0.99 0.62 2.67 0.44 0.00 -1.26 -4.80 105.19 101.87 2yt8 n GLY 29 Ca -0.22 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.00 0.39 -0.61 1.01 -0.76 -1.02 121.20 118.21 2yt8 s ILE 30 Ca 0.00 0.14 -0.26 0.00 0.00 0.00 0.00 60.65 60.53 2yt8 s ILE 30 Cb 0.00 -0.39 -0.09 0.00 0.01 0.00 0.00 42.46 42.00 2yt8 s ILE 30 CO 0.00 0.02 1.22 -0.63 0.00 0.00 0.00 174.94 175.55 2yt8 s ILE 31 N 2.12 2.95 0.00 2.92 1.01 -1.17 -0.39 121.20 128.63 2yt8 s ILE 31 Ca 0.04 0.84 0.00 0.00 0.00 0.00 0.00 60.65 61.52 2yt8 s ILE 31 Cb -0.14 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.85 2yt8 s ILE 31 CO -0.05 0.11 0.00 0.00 0.00 0.00 0.00 174.94 175.00 2yt8 s SER 33 N -4.66 3.89 -0.05 0.00 0.01 -1.24 -4.56 113.70 107.08 2yt8 s SER 33 Ca 0.00 -1.00 -0.02 0.00 1.31 0.00 0.00 55.95 56.24 2yt8 s SER 33 Cb 0.00 -0.44 0.03 0.00 0.21 0.00 0.00 66.02 65.82 2yt8 s SER 33 CO 0.00 -0.07 0.11 -0.22 0.41 0.00 0.00 173.24 173.47 2yt8 s LEU 34 N -3.60 0.96 -0.32 2.44 0.20 -1.26 -1.08 118.68 116.02 2yt8 s LEU 34 Ca 0.32 0.22 -0.28 0.00 0.69 0.00 0.00 54.13 55.07 2yt8 s LEU 34 Cb -0.03 0.25 -0.03 0.00 -0.43 0.00 0.00 46.19 45.96 2yt8 s LEU 34 CO 0.17 -0.12 1.90 -0.22 -0.29 0.00 0.00 176.35 177.78 2yt8 s LEU 35 N 0.96 3.48 -0.46 -0.68 2.96 0.13 -4.91 118.68 120.16 2yt8 s LEU 35 Ca -0.08 1.37 -0.27 0.00 -0.22 0.00 0.00 54.13 54.93 2yt8 s LEU 35 Cb -0.10 -3.44 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 2yt8 s LEU 35 CO -0.04 -1.82 1.87 -0.60 -1.32 0.00 0.00 176.35 174.44 2yt8 s ARG 36 N 5.92 2.96 0.00 1.98 3.52 -1.26 -2.90 118.95 129.17 2yt8 s ARG 36 Ca 0.84 1.10 0.00 0.00 -0.13 0.00 0.00 55.73 57.53 2yt8 s ARG 36 Cb -0.24 -4.30 0.00 0.00 -1.56 0.00 0.00 34.95 28.85 2yt8 s ARG 36 CO 0.33 -2.31 0.00 0.41 -0.81 0.00 0.00 175.30 172.92 2yt8 n GLY 37 N 5.57 0.94 0.00 8.12 0.00 -1.26 -5.12 105.19 113.44 2yt8 n GLY 37 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 5.19 0.13 -0.02 0.00 -1.14 -5.07 105.19 104.27 2yt8 n GLY 38 Ca 0.00 -1.59 -0.22 0.00 0.00 0.00 0.00 46.02 44.22 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 0.80 -0.01 -0.61 2.04 -1.87 -3.37 117.51 114.49 2yt8 h ILE 39 Ca 0.00 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.53 2yt8 h ILE 39 Cb 0.00 2.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 2yt8 h ILE 39 CO 0.00 0.73 -0.06 0.00 0.00 0.00 0.00 178.15 178.82 2yt8 h ALA 40 N -0.07 -0.50 -0.83 1.87 0.00 -1.90 0.42 119.26 118.24 2yt8 h ALA 40 Ca -0.38 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 54.70 2yt8 h ALA 40 Cb 1.82 0.59 -0.16 0.00 0.00 0.00 0.00 17.79 20.05 2yt8 h ALA 40 CO 0.02 -0.52 -0.17 -1.91 0.00 0.00 0.00 179.25 176.68 2yt8 n GLU 41 N -2.84 -0.07 -0.12 0.00 2.13 -1.26 0.22 120.64 118.70 2yt8 n GLU 41 Ca -0.01 1.29 -0.07 0.00 0.66 0.00 0.00 57.16 59.03 2yt8 n GLU 41 Cb 0.04 -1.95 0.09 0.00 0.27 0.00 0.00 31.44 29.90 2yt8 n GLU 41 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2yt8 h ARG 42 N 0.00 0.84 -0.17 5.31 3.08 -1.54 -3.16 114.38 118.75 2yt8 h ARG 42 Ca 0.42 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 2yt8 h ARG 42 Cb 0.69 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 2yt8 h ARG 42 CO -0.84 0.92 0.06 0.78 -1.07 0.00 0.00 179.97 179.81 2yt8 h GLY 43 N 0.97 0.28 0.00 0.04 0.00 0.72 -3.47 103.07 101.61 2yt8 h GLY 43 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2yt8 h GLY 43 CO 0.04 0.15 0.00 0.61 0.00 0.00 0.00 176.54 177.34 2yt8 n GLY 44 N -0.62 0.72 3.78 4.60 0.00 0.37 -3.82 105.19 110.22 2yt8 n GLY 44 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.72 4.24 -0.15 -0.61 -1.09 -1.18 -4.69 121.20 117.00 2yt8 s ILE 45 Ca 0.00 1.81 -0.03 0.00 -2.23 0.00 0.00 60.65 60.20 2yt8 s ILE 45 Cb 0.00 -4.08 0.05 0.00 -1.58 0.00 0.00 42.46 36.85 2yt8 s ILE 45 CO 0.00 0.28 0.04 -0.13 -1.23 0.00 0.00 174.94 173.90 2yt8 s ARG 46 N -1.74 0.46 0.96 2.79 1.81 -1.26 -4.68 118.95 117.28 2yt8 s ARG 46 Ca 0.46 -0.15 -0.12 0.00 -1.72 0.00 0.00 55.73 54.19 2yt8 s ARG 46 Cb -0.21 -1.64 0.07 0.00 -0.45 0.00 0.00 34.95 32.73 2yt8 s ARG 46 CO 0.26 -0.54 0.59 1.33 -0.68 0.00 0.00 175.30 176.26 2yt8 n VAL 47 N 5.14 0.00 0.00 3.52 0.24 -1.26 -2.88 118.33 123.09 2yt8 n VAL 47 Ca -0.08 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 2yt8 n VAL 47 Cb 0.48 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 32.13 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 1.19 2.50 3.77 7.63 0.00 -0.20 -4.96 105.19 115.11 2yt8 n GLY 48 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.47 3.54 0.19 1.61 3.76 -1.14 -4.42 115.29 116.37 2yt8 s HIS 49 Ca 0.00 0.70 -0.22 0.00 -0.15 0.00 0.00 55.06 55.39 2yt8 s HIS 49 Cb 0.00 -2.31 -0.08 0.00 1.11 0.00 0.00 32.58 31.30 2yt8 s HIS 49 CO 0.00 0.37 0.74 0.50 -0.85 0.00 0.00 174.74 175.50 2yt8 s ARG 50 N 0.01 4.38 0.02 1.40 3.52 0.18 -3.02 118.95 125.44 2yt8 s ARG 50 Ca 0.19 0.99 -0.23 0.00 -0.13 0.00 0.00 55.73 56.55 2yt8 s ARG 50 Cb -0.14 -3.05 -0.05 0.00 -1.56 0.00 0.00 34.95 30.15 2yt8 s ARG 50 CO 0.07 0.48 0.68 0.42 -0.81 0.00 0.00 175.30 176.13 2yt8 s ILE 51 N -1.35 4.83 0.00 4.11 -1.09 -0.19 -0.54 121.20 126.97 2yt8 s ILE 51 Ca 0.39 1.43 0.00 0.00 -2.23 0.00 0.00 60.65 60.24 2yt8 s ILE 51 Cb -0.19 -4.02 0.00 0.00 -1.58 0.00 0.00 42.46 36.67 2yt8 s ILE 51 CO 0.23 0.39 0.00 2.30 -1.23 0.00 0.00 174.94 176.63 2yt8 n ILE 52 N 2.77 0.00 -3.67 2.92 -5.35 -1.04 -4.40 119.36 110.59 2yt8 n ILE 52 Ca -0.05 -0.17 -0.14 0.00 -0.27 0.00 0.00 62.75 62.12 2yt8 n ILE 52 Cb 0.51 0.66 -0.08 0.00 -1.74 0.00 0.00 39.64 38.98 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 -1.30 0.73 -0.05 6.28 2.12 -1.21 -1.62 118.70 123.65 2yt8 s GLU 53 Ca 0.00 0.45 -0.07 0.00 0.36 0.00 0.00 54.97 55.71 2yt8 s GLU 53 Cb 0.00 0.35 0.01 0.00 0.26 0.00 0.00 34.13 34.75 2yt8 s GLU 53 CO 0.00 -0.15 0.18 0.96 -0.54 0.00 0.00 175.26 175.70 2yt8 s ILE 54 N -0.37 0.02 -1.28 -3.70 -5.25 -0.29 -0.28 121.20 110.04 2yt8 s ILE 54 Ca -0.05 -0.15 -0.16 0.00 -0.99 0.00 0.00 60.65 59.30 2yt8 s ILE 54 Cb -0.03 -0.30 0.16 0.00 2.95 0.00 0.00 42.46 45.24 2yt8 s ILE 54 CO 0.04 -0.08 0.41 0.59 -1.79 0.00 0.00 174.94 174.10 2yt8 n ASN 55 N 2.65 -1.40 -2.12 4.36 3.02 0.38 0.90 115.26 123.04 2yt8 n ASN 55 Ca -0.15 -0.77 -0.08 0.00 -0.03 0.00 0.00 54.58 53.56 2yt8 n ASN 55 Cb 0.58 -1.24 0.04 0.00 -0.61 0.00 0.00 39.78 38.55 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 -0.86 0.07 3.14 7.41 0.00 -1.26 -4.94 105.19 108.75 2yt8 n GLY 56 Ca 0.08 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.64 0.26 -0.51 1.61 -0.21 0.26 -5.10 119.66 111.32 2yt8 s GLN 57 Ca 0.00 0.78 -0.27 0.00 0.02 0.00 0.00 55.36 55.89 2yt8 s GLN 57 Cb -0.00 0.04 -0.03 0.00 1.00 0.00 0.00 33.01 34.02 2yt8 s GLN 57 CO 0.34 -0.22 1.92 -1.12 -2.12 0.00 0.00 175.29 174.09 2yt8 s SER 58 N 1.98 5.32 -0.03 5.90 0.01 -1.26 -1.14 113.70 124.48 2yt8 s SER 58 Ca -0.04 0.72 0.12 0.00 1.31 0.00 0.00 55.95 58.06 2yt8 s SER 58 Cb -0.11 -2.52 0.36 0.00 0.21 0.00 0.00 66.02 63.96 2yt8 s SER 58 CO -0.11 -2.26 1.30 1.33 0.41 0.00 0.00 173.24 173.91 2yt8 n VAL 59 N 7.38 1.24 0.05 3.43 0.24 -0.64 -4.53 118.33 125.50 2yt8 n VAL 59 Ca 0.23 -1.16 0.21 0.00 -2.04 0.00 0.00 64.34 61.59 2yt8 n VAL 59 Cb 0.51 0.36 0.73 0.00 -1.47 0.00 0.00 33.84 33.97 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 2.07 0.42 0.00 3.34 3.04 -1.55 -2.77 116.25 120.80 2yt8 h VAL 60 Ca 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.61 2yt8 h VAL 60 Cb 0.88 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 30.78 2yt8 h VAL 60 CO 0.04 0.00 -1.30 0.00 -1.01 0.00 0.00 177.57 175.30 2yt8 n ALA 61 N -2.41 1.89 -1.50 3.17 0.00 -1.26 -4.98 120.51 115.42 2yt8 n ALA 61 Ca 0.09 -0.26 -0.47 0.00 0.00 0.00 0.00 53.44 52.79 2yt8 n ALA 61 Cb 0.67 0.24 -0.03 0.00 0.00 0.00 0.00 19.45 20.34 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 -2.35 1.75 -2.25 0.00 -1.04 -1.05 -4.88 114.28 104.47 2yt8 n THR 62 Ca -0.08 -0.44 -0.41 0.00 -2.04 0.00 0.00 64.05 61.08 2yt8 n THR 62 Cb 0.63 -0.47 -0.03 0.00 -1.82 0.00 0.00 70.33 68.63 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 -1.07 4.45 0.28 -2.82 0.04 -1.26 -4.84 135.00 129.77 2yt8 s PRO 63 Ca 0.65 2.05 -0.09 0.00 0.04 0.00 0.00 61.00 63.65 2yt8 s PRO 63 Cb -0.85 -3.14 0.44 0.00 0.04 0.00 0.00 34.50 30.99 2yt8 s PRO 63 CO 0.57 -0.08 1.56 1.58 0.04 0.00 0.00 177.00 180.66 2yt8 n HIS 64 N 1.36 0.33 -0.34 0.56 -0.00 -1.26 -0.34 115.22 115.53 2yt8 n HIS 64 Ca 0.01 1.22 -0.01 0.00 -0.00 0.00 0.00 57.72 58.94 2yt8 n HIS 64 Cb 0.43 -1.06 0.04 0.00 -0.00 0.00 0.00 29.99 29.40 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 -3.62 -0.09 -0.15 1.57 0.00 -1.26 0.63 120.51 117.59 2yt8 n ALA 65 Ca 0.16 0.89 -0.11 0.00 0.00 0.00 0.00 53.44 54.37 2yt8 n ALA 65 Cb 0.49 -0.40 -0.01 0.00 0.00 0.00 0.00 19.45 19.53 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 0.83 -0.93 0.00 9.65 -1.05 -3.00 114.38 119.88 2yt8 h ARG 66 Ca 0.31 -0.31 0.19 0.00 -1.10 0.00 0.00 59.98 59.08 2yt8 h ARG 66 Cb 0.53 -0.05 -0.11 0.00 -1.39 0.00 0.00 29.97 28.95 2yt8 h ARG 66 CO -0.88 0.93 0.50 0.82 2.80 0.00 0.00 179.97 184.14 2yt8 h ILE 67 N 0.66 0.64 -0.35 1.20 2.04 0.74 0.19 117.51 122.62 2yt8 h ILE 67 Ca 0.11 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 2yt8 h ILE 67 Cb 0.61 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2yt8 h ILE 67 CO 0.04 0.11 0.07 0.40 0.00 0.00 0.00 178.15 178.77 2yt8 h ILE 68 N 0.61 1.23 -0.79 -0.67 1.08 -0.92 -0.14 117.51 117.90 2yt8 h ILE 68 Ca 0.54 -0.80 -0.01 0.00 -0.39 0.00 0.00 64.86 64.20 2yt8 h ILE 68 Cb 0.90 1.08 -0.04 0.00 -3.07 0.00 0.00 36.82 35.69 2yt8 h ILE 68 CO -0.42 0.27 0.46 -0.33 -0.69 0.00 0.00 178.15 177.44 2yt8 h GLU 69 N 0.42 1.09 0.18 2.37 4.39 -0.99 -0.84 114.58 121.20 2yt8 h GLU 69 Ca 0.11 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2yt8 h GLU 69 Cb 0.33 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2yt8 h GLU 69 CO 0.00 0.79 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.48 2yt8 h LEU 70 N 1.09 -0.21 -0.74 1.33 3.38 -0.89 -0.68 115.31 118.59 2yt8 h LEU 70 Ca 0.28 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.39 2yt8 h LEU 70 Cb -0.01 0.05 -0.14 0.00 0.09 0.00 0.00 40.66 40.66 2yt8 h LEU 70 CO -0.05 -0.07 -0.31 -0.07 0.09 0.00 0.00 178.44 178.03 2yt8 h LEU 71 N -0.40 -1.12 -0.44 1.67 3.38 -1.08 0.30 115.31 117.61 2yt8 h LEU 71 Ca -0.02 0.25 0.01 0.00 0.09 0.00 0.00 57.88 58.21 2yt8 h LEU 71 Cb 0.19 0.60 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2yt8 h LEU 71 CO 0.04 -0.29 0.28 0.74 0.09 0.00 0.00 178.44 179.30 2yt8 h THR 72 N -0.08 1.09 0.00 0.22 2.02 -1.25 -1.05 112.91 113.85 2yt8 h THR 72 Ca 0.30 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.28 2yt8 h THR 72 Cb 0.57 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 2yt8 h THR 72 CO -0.79 0.10 0.00 -0.33 0.37 0.00 0.00 175.52 174.87 2yt8 h GLU 73 N 0.57 0.00 -6.43 6.66 4.39 0.81 -3.41 114.58 117.17 2yt8 h GLU 73 Ca 0.17 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.30 2yt8 h GLU 73 Cb -0.04 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.54 2yt8 h GLU 73 CO -0.05 0.00 0.84 0.00 -1.16 0.00 0.00 179.01 178.64 2yt8 s ALA 74 N -3.74 3.35 0.38 3.43 0.00 0.77 -5.03 121.76 120.93 2yt8 s ALA 74 Ca -0.01 -0.28 0.08 0.00 0.00 0.00 0.00 51.96 51.75 2yt8 s ALA 74 Cb 0.10 -3.74 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 2yt8 s ALA 74 CO 0.40 -1.81 0.35 0.71 0.00 0.00 0.00 175.76 175.42 2yt8 s TYR 75 N 3.94 2.80 0.00 0.00 2.02 -1.26 -4.89 117.35 119.96 2yt8 s TYR 75 Ca 0.45 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.75 2yt8 s TYR 75 Cb -0.10 -2.02 0.00 0.00 -0.40 0.00 0.00 41.96 39.44 2yt8 s TYR 75 CO 0.22 -0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.61 2yt8 n GLY 76 N -1.49 3.76 3.66 0.71 0.00 0.17 -4.55 105.19 107.45 2yt8 n GLY 76 Ca 0.01 0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 4.25 -0.37 1.61 2.12 -1.26 -1.52 118.70 123.52 2yt8 s GLU 77 Ca 0.00 1.44 0.01 0.00 0.36 0.00 0.00 54.97 56.78 2yt8 s GLU 77 Cb 0.00 -3.68 0.11 0.00 0.26 0.00 0.00 34.13 30.81 2yt8 s GLU 77 CO 0.00 -0.66 0.12 0.08 -0.54 0.00 0.00 175.26 174.26 2yt8 s VAL 78 N 3.31 2.77 -0.63 3.70 1.01 -0.69 -5.00 120.40 124.87 2yt8 s VAL 78 Ca 0.47 -2.21 -0.28 0.00 0.00 0.00 0.00 61.98 59.96 2yt8 s VAL 78 Cb -0.17 -2.96 0.03 0.00 0.00 0.00 0.00 36.38 33.28 2yt8 s VAL 78 CO 0.09 -0.65 1.22 -1.00 0.00 0.00 0.00 175.10 174.76 2yt8 s HIS 79 N 1.01 2.51 -0.22 5.22 3.76 -1.26 -1.75 115.29 124.57 2yt8 s HIS 79 Ca 0.10 0.27 -0.06 0.00 -0.15 0.00 0.00 55.06 55.22 2yt8 s HIS 79 Cb -0.21 -4.55 -0.02 0.00 1.11 0.00 0.00 32.58 28.91 2yt8 s HIS 79 CO -0.06 -1.73 0.02 0.42 -0.85 0.00 0.00 174.74 172.54 2yt8 s ILE 80 N 5.18 4.00 -0.47 0.60 1.01 -0.13 0.14 121.20 131.53 2yt8 s ILE 80 Ca 0.40 -0.29 -0.16 0.00 0.00 0.00 0.00 60.65 60.60 2yt8 s ILE 80 Cb -0.08 -2.83 0.06 0.00 0.01 0.00 0.00 42.46 39.62 2yt8 s ILE 80 CO 0.22 0.40 0.44 -0.75 0.00 0.00 0.00 174.94 175.25 2yt8 s LYS 81 N 1.27 3.02 0.17 2.79 2.20 0.61 -1.35 119.74 128.44 2yt8 s LYS 81 Ca 0.04 -1.17 -0.01 0.00 -0.36 0.00 0.00 55.97 54.46 2yt8 s LYS 81 Cb -0.15 -4.10 -0.04 0.00 -1.51 0.00 0.00 37.83 32.03 2yt8 s LYS 81 CO 0.02 -1.03 0.35 0.95 -0.36 0.00 0.00 175.35 175.28 2yt8 s THR 82 N 1.89 5.24 -0.18 3.43 -4.23 -0.41 -2.51 115.64 118.88 2yt8 s THR 82 Ca 0.07 -0.33 -0.17 0.00 -1.18 0.00 0.00 61.69 60.08 2yt8 s THR 82 Cb -0.22 -3.70 0.05 0.00 1.34 0.00 0.00 72.50 69.96 2yt8 s THR 82 CO 0.09 -0.08 0.48 -0.32 -0.54 0.00 0.00 174.62 174.24 2yt8 s MET 83 N -3.09 0.56 -0.07 3.99 1.75 0.30 -2.58 119.30 120.15 2yt8 s MET 83 Ca 0.38 0.66 -0.30 0.00 -1.25 0.00 0.00 55.69 55.19 2yt8 s MET 83 Cb -0.11 0.27 -0.04 0.00 2.84 0.00 0.00 34.83 37.78 2yt8 s MET 83 CO 0.28 -0.07 1.50 -1.25 -0.65 0.00 0.00 175.02 174.84 2yt8 s PRO 84 N 0.25 4.21 0.34 4.11 0.04 -1.26 0.52 135.00 143.21 2yt8 s PRO 84 Ca -0.00 2.01 0.14 0.00 0.04 0.00 0.00 61.00 63.19 2yt8 s PRO 84 Cb -0.03 -3.84 1.06 0.00 0.04 0.00 0.00 34.50 31.72 2yt8 s PRO 84 CO 0.01 -0.76 1.67 0.00 0.04 0.00 0.00 177.00 177.96 2yt8 h ALA 85 N 8.84 1.93 0.17 8.56 0.00 -1.90 -1.66 119.26 135.19 2yt8 h ALA 85 Ca -0.36 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2yt8 h ALA 85 Cb 1.16 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2yt8 h ALA 85 CO 0.95 -0.53 -0.21 0.00 0.00 0.00 0.00 179.25 179.46 2yt8 h ALA 86 N 1.83 -0.87 0.02 0.00 0.00 -1.93 -0.24 119.26 118.08 2yt8 h ALA 86 Ca 0.72 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.56 2yt8 h ALA 86 Cb 1.61 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.89 2yt8 h ALA 86 CO -0.59 -0.89 -0.11 1.15 0.00 0.00 0.00 179.25 178.81 2yt8 h THR 87 N -0.39 0.00 -0.92 0.00 2.02 -1.73 0.20 112.91 112.10 2yt8 h THR 87 Ca -0.02 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.25 2yt8 h THR 87 Cb 0.35 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.64 2yt8 h THR 87 CO -0.05 0.00 -0.52 0.00 0.37 0.00 0.00 175.52 175.32 2yt8 n TYR 88 N -3.08 -0.36 -0.31 3.16 9.36 -0.86 0.10 117.16 125.16 2yt8 n TYR 88 Ca -0.02 1.14 0.08 0.00 3.32 0.00 0.00 57.90 62.43 2yt8 n TYR 88 Cb 0.09 -0.60 0.24 0.00 -0.63 0.00 0.00 39.34 38.44 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 0.64 -0.08 2.98 3.08 -0.82 0.21 114.38 120.39 2yt8 h ARG 89 Ca 0.16 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 2yt8 h ARG 89 Cb 0.39 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2yt8 h ARG 89 CO -0.87 0.42 -0.33 -0.07 -1.07 0.00 0.00 179.97 178.05 2yt8 h LEU 90 N 0.66 0.15 -0.36 3.04 3.38 0.28 -2.63 115.31 119.83 2yt8 h LEU 90 Ca 0.49 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 58.21 2yt8 h LEU 90 Cb 0.69 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2yt8 h LEU 90 CO -0.37 0.48 -0.80 -0.07 0.09 0.00 0.00 178.44 177.78 2yt8 h LEU 91 N 0.14 0.37 -3.03 1.67 3.38 0.26 -3.09 115.31 115.02 2yt8 h LEU 91 Ca 0.02 -0.27 -0.14 0.00 0.09 0.00 0.00 57.88 57.58 2yt8 h LEU 91 Cb 0.66 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.21 2yt8 h LEU 91 CO 0.05 1.03 0.17 0.35 0.09 0.00 0.00 178.44 180.13 2yt8 n THR 92 N -3.76 2.17 0.00 0.22 -2.24 0.07 -4.55 114.28 106.19 2yt8 n THR 92 Ca -0.04 -1.12 0.00 0.00 -2.27 0.00 0.00 64.05 60.62 2yt8 n THR 92 Cb 0.75 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 0.03 -0.28 0.00 3.38 0.00 -1.02 -5.01 105.19 102.29 2yt8 n GLY 93 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2yt8 n GLY 93 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14