#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 7.06 0.09 1.61 0.15 -1.26 -4.97 113.70 116.38 2yt8 s SER 2 Ca 0.00 1.29 -0.35 0.00 0.70 0.00 0.00 55.95 57.59 2yt8 s SER 2 Cb 0.00 -2.47 -0.16 0.00 -1.71 0.00 0.00 66.02 61.68 2yt8 s SER 2 CO 0.00 -0.31 1.57 0.28 1.20 0.00 0.00 173.24 175.98 2yt8 h SER 3 N 7.08 -1.34 -3.13 5.45 0.02 -2.15 -3.49 113.55 115.99 2yt8 h SER 3 Ca -0.34 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2yt8 h SER 3 Cb 1.16 0.46 -0.00 0.00 0.14 0.00 0.00 62.40 64.16 2yt8 h SER 3 CO 0.80 -0.62 -0.09 0.61 -1.14 0.00 0.00 176.83 176.40 2yt8 n GLY 4 N -1.53 -3.05 3.11 -3.77 0.00 -1.26 -5.00 105.19 93.68 2yt8 n GLY 4 Ca -0.11 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 2yt8 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yt8 s SER 5 N -0.05 5.26 0.13 1.61 0.15 -1.26 -5.07 113.70 114.48 2yt8 s SER 5 Ca -0.01 -2.32 0.04 0.00 0.70 0.00 0.00 55.95 54.36 2yt8 s SER 5 Cb 0.00 -1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 62.43 2yt8 s SER 5 CO 0.02 -0.49 -0.10 -0.55 1.20 0.00 0.00 173.24 173.32 2yt8 s SER 6 N 1.44 1.69 0.00 5.45 0.15 -1.26 -4.99 113.70 116.19 2yt8 s SER 6 Ca 0.11 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 55.79 2yt8 s SER 6 Cb -0.22 -0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 2yt8 s SER 6 CO -0.04 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.69 2yt8 n GLY 7 N -0.03 0.91 3.68 9.45 0.00 -1.26 -5.09 105.19 112.86 2yt8 n GLY 7 Ca -0.12 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 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 5.32 -0.33 1.61 1.01 -1.26 -5.04 120.40 121.70 2yt8 s VAL 8 Ca 0.00 0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.85 2yt8 s VAL 8 Cb 0.00 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.95 2yt8 s VAL 8 CO 0.00 0.39 1.09 -0.89 0.00 0.00 0.00 175.10 175.70 2yt8 s THR 9 N 0.71 4.46 -0.14 3.92 2.01 -1.15 -4.99 115.64 120.47 2yt8 s THR 9 Ca 0.07 1.67 -0.04 0.00 0.31 0.00 0.00 61.69 63.71 2yt8 s THR 9 Cb -0.12 -4.43 -0.03 0.00 0.01 0.00 0.00 72.50 67.93 2yt8 s THR 9 CO 0.01 -0.53 -0.01 -0.89 -0.69 0.00 0.00 174.62 172.51 2yt8 s THR 10 N 3.76 4.15 -0.01 -0.82 2.01 -1.26 -0.92 115.64 122.55 2yt8 s THR 10 Ca 0.46 -0.28 0.05 0.00 0.31 0.00 0.00 61.69 62.23 2yt8 s THR 10 Cb -0.12 -2.80 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 2yt8 s THR 10 CO 0.17 0.52 -0.16 0.00 -0.69 0.00 0.00 174.62 174.46 2yt8 s ALA 11 N -0.02 1.36 -0.09 7.40 0.00 -0.29 -4.97 121.76 125.15 2yt8 s ALA 11 Ca 0.02 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.27 2yt8 s ALA 11 Cb -0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 2yt8 s ALA 11 CO 0.02 0.33 -0.10 0.42 0.00 0.00 0.00 175.76 176.42 2yt8 s ILE 12 N -0.43 3.36 -0.05 0.00 -1.09 -1.24 -0.43 121.20 121.31 2yt8 s ILE 12 Ca 0.06 -0.59 0.02 0.00 -2.23 0.00 0.00 60.65 57.91 2yt8 s ILE 12 Cb -0.06 -2.38 -0.03 0.00 -1.58 0.00 0.00 42.46 38.41 2yt8 s ILE 12 CO -0.00 0.57 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.54 2yt8 s ILE 13 N -0.36 3.41 -0.44 2.92 -1.09 0.03 -4.02 121.20 121.65 2yt8 s ILE 13 Ca 0.04 -0.62 -0.07 0.00 -2.23 0.00 0.00 60.65 57.76 2yt8 s ILE 13 Cb -0.12 -2.38 0.11 0.00 -1.58 0.00 0.00 42.46 38.48 2yt8 s ILE 13 CO 0.02 0.57 0.28 -1.00 -1.23 0.00 0.00 174.94 173.59 2yt8 s HIS 14 N -0.80 3.44 -0.86 3.97 3.76 -1.24 -0.46 115.29 123.10 2yt8 s HIS 14 Ca 0.12 -1.92 -0.02 0.00 -0.15 0.00 0.00 55.06 53.09 2yt8 s HIS 14 Cb -0.11 -3.26 0.21 0.00 1.11 0.00 0.00 32.58 30.53 2yt8 s HIS 14 CO 0.02 -0.95 0.74 1.03 -0.85 0.00 0.00 174.74 174.73 2yt8 s ARG 15 N 1.32 3.19 0.02 1.40 0.52 0.33 -4.88 118.95 120.86 2yt8 s ARG 15 Ca 0.05 -3.18 0.15 0.00 -0.52 0.00 0.00 55.73 52.23 2yt8 s ARG 15 Cb -0.24 -3.93 0.63 0.00 0.52 0.00 0.00 34.95 31.92 2yt8 s ARG 15 CO -0.01 -1.25 1.47 -0.35 0.02 0.00 0.00 175.30 175.18 2yt8 n PRO 16 N 2.49 0.01 -4.06 3.54 -0.04 -1.26 0.60 135.00 136.28 2yt8 n PRO 16 Ca 0.20 0.27 -0.13 0.00 -0.04 0.00 0.00 63.50 63.79 2yt8 n PRO 16 Cb 0.37 -1.52 -0.12 0.00 -0.04 0.00 0.00 33.50 32.19 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 -3.02 0.56 -0.05 0.54 2.46 -1.26 -4.93 115.29 109.58 2yt8 s HIS 17 Ca 0.07 -0.42 0.06 0.00 0.47 0.00 0.00 55.06 55.24 2yt8 s HIS 17 Cb 0.09 -0.34 -0.24 0.00 -0.13 0.00 0.00 32.58 31.96 2yt8 s HIS 17 CO 0.27 -0.08 0.63 0.00 -2.47 0.00 0.00 174.74 173.08 2yt8 h ALA 18 N 4.81 0.64 -0.19 1.58 0.00 -2.00 -3.34 119.26 120.76 2yt8 h ALA 18 Ca -0.34 -1.41 -0.10 0.00 0.00 0.00 0.00 54.91 53.07 2yt8 h ALA 18 Cb 1.20 0.51 -0.06 0.00 0.00 0.00 0.00 17.79 19.44 2yt8 h ALA 18 CO 0.42 1.48 0.12 0.54 0.00 0.00 0.00 179.25 181.81 2yt8 n ARG 19 N -3.19 1.30 -5.21 0.00 1.74 -1.26 -4.80 116.66 105.23 2yt8 n ARG 19 Ca -0.20 -0.61 -0.32 0.00 -0.77 0.00 0.00 57.85 55.96 2yt8 n ARG 19 Cb 1.05 -1.27 -0.17 0.00 -1.02 0.00 0.00 32.46 31.05 2yt8 n ARG 19 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2yt8 s GLU 20 N -0.72 2.83 1.20 5.56 0.41 -1.26 -5.13 118.70 121.59 2yt8 s GLU 20 Ca 0.11 -0.88 -0.18 0.00 -0.41 0.00 0.00 54.97 53.62 2yt8 s GLU 20 Cb 0.10 -2.26 0.26 0.00 -1.78 0.00 0.00 34.13 30.45 2yt8 s GLU 20 CO 0.02 0.28 0.57 1.04 -0.49 0.00 0.00 175.26 176.69 2yt8 n GLN 21 N 3.24 -3.30 -0.08 1.61 1.13 -1.26 -5.00 117.38 113.71 2yt8 n GLN 21 Ca -0.18 -0.98 -0.16 0.00 -1.94 0.00 0.00 57.00 53.74 2yt8 n GLN 21 Cb 0.52 -1.68 -0.07 0.00 0.11 0.00 0.00 30.24 29.13 2yt8 n GLN 21 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2yt8 n LEU 22 N -3.18 1.93 0.00 1.08 4.77 -1.26 -4.96 117.00 115.38 2yt8 n LEU 22 Ca 0.09 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2yt8 n LEU 22 Cb 0.45 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2yt8 n LEU 22 CO 0.32 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 2yt8 n GLY 23 N 2.24 3.10 3.81 -0.72 0.00 -1.26 -3.65 105.19 108.72 2yt8 n GLY 23 Ca -0.32 -0.93 -0.38 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.41 3.73 -0.27 1.61 -0.71 -1.26 0.21 117.98 120.88 2yt8 s PHE 24 Ca 0.00 1.07 -0.09 0.00 -1.04 0.00 0.00 56.93 56.87 2yt8 s PHE 24 Cb 0.00 -2.39 -0.03 0.00 -1.21 0.00 0.00 43.02 39.39 2yt8 s PHE 24 CO 0.00 0.57 0.11 0.00 -1.34 0.00 0.00 175.22 174.56 2yt8 s VAL 26 N 1.65 5.26 -0.20 0.00 1.01 -1.26 -1.16 120.40 125.70 2yt8 s VAL 26 Ca 0.06 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.18 2yt8 s VAL 26 Cb -0.16 -3.37 0.04 0.00 0.00 0.00 0.00 36.38 32.90 2yt8 s VAL 26 CO 0.06 0.48 -0.09 -1.61 0.00 0.00 0.00 175.10 173.94 2yt8 s GLU 27 N 0.08 1.88 -1.59 2.72 2.02 0.89 -4.73 118.70 119.96 2yt8 s GLU 27 Ca 0.08 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.26 2yt8 s GLU 27 Cb -0.11 -2.38 0.00 0.00 0.10 0.00 0.00 34.13 31.74 2yt8 s GLU 27 CO -0.00 -0.45 0.00 -0.25 0.02 0.00 0.00 175.26 174.57 2yt8 n ASP 28 N 4.71 -5.21 0.00 -0.19 8.00 -1.26 -0.74 116.55 121.87 2yt8 n ASP 28 Ca -0.14 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.46 2yt8 n ASP 28 Cb 0.46 -4.39 0.00 0.00 -0.02 0.00 0.00 41.12 37.17 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 -0.87 0.61 2.68 0.44 0.00 -1.26 -4.81 105.19 101.98 2yt8 n GLY 29 Ca -0.21 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 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 0.01 0.32 -0.61 1.01 0.08 -2.80 121.20 117.21 2yt8 s ILE 30 Ca 0.00 0.25 -0.29 0.00 0.00 0.00 0.00 60.65 60.61 2yt8 s ILE 30 Cb 0.00 -0.32 -0.10 0.00 0.01 0.00 0.00 42.46 42.05 2yt8 s ILE 30 CO 0.00 0.11 1.39 -0.63 0.00 0.00 0.00 174.94 175.82 2yt8 s ILE 31 N 2.12 2.52 -0.02 2.92 1.01 -1.17 -0.08 121.20 128.51 2yt8 s ILE 31 Ca 0.04 0.50 -0.01 0.00 0.00 0.00 0.00 60.65 61.19 2yt8 s ILE 31 Cb -0.13 -3.32 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 2yt8 s ILE 31 CO -0.05 0.11 -0.02 0.00 0.00 0.00 0.00 174.94 174.98 2yt8 s SER 33 N -4.92 3.00 -0.04 0.00 1.04 -1.25 -4.50 113.70 107.04 2yt8 s SER 33 Ca -0.02 -0.78 0.02 0.00 0.48 0.00 0.00 55.95 55.64 2yt8 s SER 33 Cb 0.01 -0.19 0.02 0.00 0.10 0.00 0.00 66.02 65.95 2yt8 s SER 33 CO 0.03 0.09 -0.07 -0.22 0.98 0.00 0.00 173.24 174.06 2yt8 s LEU 34 N -2.26 1.49 -0.32 2.42 0.20 -1.26 -0.39 118.68 118.55 2yt8 s LEU 34 Ca 0.14 -0.17 -0.29 0.00 0.69 0.00 0.00 54.13 54.50 2yt8 s LEU 34 Cb -0.09 -0.52 -0.01 0.00 -0.43 0.00 0.00 46.19 45.14 2yt8 s LEU 34 CO 0.06 -0.01 1.63 -0.22 -0.29 0.00 0.00 176.35 177.52 2yt8 s LEU 35 N 0.70 3.63 -0.27 -0.68 2.96 0.13 -4.93 118.68 120.23 2yt8 s LEU 35 Ca -0.11 1.25 -0.29 0.00 -0.22 0.00 0.00 54.13 54.76 2yt8 s LEU 35 Cb -0.13 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 2yt8 s LEU 35 CO 0.01 -1.50 1.53 -0.60 -1.32 0.00 0.00 176.35 174.47 2yt8 s ARG 36 N 5.16 3.77 0.00 1.98 3.52 -1.26 -3.12 118.95 128.99 2yt8 s ARG 36 Ca 0.72 1.47 0.00 0.00 -0.13 0.00 0.00 55.73 57.79 2yt8 s ARG 36 Cb -0.20 -4.01 0.00 0.00 -1.56 0.00 0.00 34.95 29.18 2yt8 s ARG 36 CO 0.32 -1.32 0.00 0.41 -0.81 0.00 0.00 175.30 173.90 2yt8 n GLY 37 N 4.67 1.17 0.00 8.12 0.00 -1.26 -5.10 105.19 112.79 2yt8 n GLY 37 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.31 4.82 0.13 -0.02 0.00 -1.18 -5.08 105.19 103.56 2yt8 n GLY 38 Ca 0.00 -1.08 -0.21 0.00 0.00 0.00 0.00 46.02 44.73 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 1.58 0.14 -0.61 5.41 -1.26 -4.08 119.36 120.54 2yt8 n ILE 39 Ca 0.00 -0.54 -0.07 0.00 1.00 0.00 0.00 62.75 63.13 2yt8 n ILE 39 Cb 0.00 -1.60 -0.04 0.00 -0.71 0.00 0.00 39.64 37.29 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 -0.13 -0.96 -0.95 -1.39 0.00 -1.87 0.39 119.26 114.35 2yt8 h ALA 40 Ca -0.54 -0.08 0.27 0.00 0.00 0.00 0.00 54.91 54.56 2yt8 h ALA 40 Cb 1.87 0.39 -0.14 0.00 0.00 0.00 0.00 17.79 19.91 2yt8 h ALA 40 CO -0.09 -0.96 0.45 1.49 0.00 0.00 0.00 179.25 180.14 2yt8 h GLU 41 N -0.43 0.32 -0.46 0.00 4.22 -1.81 0.43 114.58 116.85 2yt8 h GLU 41 Ca -0.03 -0.02 -0.12 0.00 0.08 0.00 0.00 59.36 59.27 2yt8 h GLU 41 Cb 0.36 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2yt8 h GLU 41 CO -0.00 0.21 -0.17 0.00 -2.18 0.00 0.00 179.01 176.88 2yt8 h ARG 42 N 0.33 0.93 -0.20 1.92 3.08 -1.63 -3.21 114.38 115.60 2yt8 h ARG 42 Ca 0.65 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 60.30 2yt8 h ARG 42 Cb 1.38 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.38 2yt8 h ARG 42 CO -0.60 1.04 0.05 0.78 -1.07 0.00 0.00 179.97 180.18 2yt8 h GLY 43 N 0.78 0.35 0.00 0.04 0.00 0.41 -3.47 103.07 101.17 2yt8 h GLY 43 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2yt8 h GLY 43 CO 0.06 0.20 0.00 0.61 0.00 0.00 0.00 176.54 177.41 2yt8 n GLY 44 N -0.54 0.64 3.81 4.60 0.00 0.08 -3.66 105.19 110.12 2yt8 n GLY 44 Ca -0.04 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 -0.64 4.63 -0.08 -0.61 -1.09 -1.07 -4.62 121.20 117.72 2yt8 s ILE 45 Ca 0.00 1.31 -0.00 0.00 -2.23 0.00 0.00 60.65 59.73 2yt8 s ILE 45 Cb 0.00 -3.94 0.02 0.00 -1.58 0.00 0.00 42.46 36.97 2yt8 s ILE 45 CO 0.00 0.47 -0.05 -0.13 -1.23 0.00 0.00 174.94 174.01 2yt8 s ARG 46 N -1.31 1.09 0.87 2.79 1.81 -1.26 -4.58 118.95 118.37 2yt8 s ARG 46 Ca 0.33 -0.11 -0.13 0.00 -1.72 0.00 0.00 55.73 54.10 2yt8 s ARG 46 Cb -0.20 -1.22 0.05 0.00 -0.45 0.00 0.00 34.95 33.14 2yt8 s ARG 46 CO 0.21 -0.22 0.74 1.33 -0.68 0.00 0.00 175.30 176.67 2yt8 n VAL 47 N 4.76 0.75 0.00 3.52 0.24 -1.26 -2.65 118.33 123.69 2yt8 n VAL 47 Ca -0.14 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 2yt8 n VAL 47 Cb 0.50 -0.84 0.00 0.00 -1.47 0.00 0.00 33.84 32.04 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 1.10 3.07 3.77 7.63 0.00 0.05 -4.97 105.19 115.83 2yt8 n GLY 48 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.55 3.82 -0.08 1.61 3.76 -1.08 -4.55 115.29 117.22 2yt8 s HIS 49 Ca 0.00 1.52 -0.11 0.00 -0.15 0.00 0.00 55.06 56.33 2yt8 s HIS 49 Cb 0.00 -2.76 -0.05 0.00 1.11 0.00 0.00 32.58 30.88 2yt8 s HIS 49 CO 0.00 0.42 0.26 0.50 -0.85 0.00 0.00 174.74 175.07 2yt8 s ARG 50 N -0.66 3.72 0.24 1.40 3.52 0.18 -3.04 118.95 124.32 2yt8 s ARG 50 Ca 0.36 0.10 -0.30 0.00 -0.13 0.00 0.00 55.73 55.76 2yt8 s ARG 50 Cb -0.22 -3.23 -0.09 0.00 -1.56 0.00 0.00 34.95 29.86 2yt8 s ARG 50 CO 0.24 0.68 0.97 0.42 -0.81 0.00 0.00 175.30 176.81 2yt8 s ILE 51 N -0.87 3.98 0.00 4.11 -1.09 -1.12 -0.06 121.20 126.14 2yt8 s ILE 51 Ca 0.18 1.97 0.00 0.00 -2.23 0.00 0.00 60.65 60.57 2yt8 s ILE 51 Cb -0.14 -4.25 0.00 0.00 -1.58 0.00 0.00 42.46 36.49 2yt8 s ILE 51 CO 0.08 0.46 0.00 2.30 -1.23 0.00 0.00 174.94 176.55 2yt8 n ILE 52 N 1.51 0.00 -3.57 2.92 -5.35 -0.85 -4.46 119.36 109.57 2yt8 n ILE 52 Ca -0.02 -0.17 -0.15 0.00 -0.27 0.00 0.00 62.75 62.15 2yt8 n ILE 52 Cb 0.47 0.66 -0.06 0.00 -1.74 0.00 0.00 39.64 38.96 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 -1.26 0.86 -0.08 6.28 2.12 -1.24 -2.86 118.70 122.52 2yt8 s GLU 53 Ca 0.00 0.44 -0.04 0.00 0.36 0.00 0.00 54.97 55.74 2yt8 s GLU 53 Cb 0.00 0.41 0.05 0.00 0.26 0.00 0.00 34.13 34.84 2yt8 s GLU 53 CO 0.00 -0.22 0.18 0.96 -0.54 0.00 0.00 175.26 175.64 2yt8 s ILE 54 N -0.66 -0.17 -1.13 -3.70 -5.25 -0.12 -0.35 121.20 109.81 2yt8 s ILE 54 Ca -0.05 0.26 0.00 0.00 -0.99 0.00 0.00 60.65 59.87 2yt8 s ILE 54 Cb -0.02 -0.30 0.00 0.00 2.95 0.00 0.00 42.46 45.09 2yt8 s ILE 54 CO 0.05 0.11 0.00 0.59 -1.79 0.00 0.00 174.94 173.89 2yt8 n ASN 55 N 4.78 -3.67 0.00 4.36 5.03 0.67 0.53 115.26 126.96 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 0.51 -3.22 0.00 0.00 -1.02 0.00 0.00 39.78 36.04 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 -0.62 0.61 3.19 7.41 0.00 -1.26 -5.03 105.19 109.49 2yt8 n GLY 56 Ca -0.14 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.51 3.11 -0.33 1.61 -1.52 0.19 -5.07 119.66 116.14 2yt8 s GLN 57 Ca 0.00 -0.77 -0.28 0.00 -1.95 0.00 0.00 55.36 52.36 2yt8 s GLN 57 Cb 0.00 -2.68 -0.02 0.00 -0.22 0.00 0.00 33.01 30.09 2yt8 s GLN 57 CO 0.00 -0.17 1.84 0.45 -0.25 0.00 0.00 175.29 177.16 2yt8 s SER 58 N 1.25 5.83 0.00 5.90 0.15 -1.26 -0.95 113.70 124.62 2yt8 s SER 58 Ca 0.03 1.34 0.18 0.00 0.70 0.00 0.00 55.95 58.20 2yt8 s SER 58 Cb -0.14 -2.52 0.10 0.00 -1.71 0.00 0.00 66.02 61.75 2yt8 s SER 58 CO -0.08 -1.75 1.01 1.33 1.20 0.00 0.00 173.24 174.94 2yt8 n VAL 59 N 7.45 0.00 0.14 4.45 0.24 -1.13 -4.43 118.33 125.04 2yt8 n VAL 59 Ca 0.24 -0.45 0.18 0.00 -2.04 0.00 0.00 64.34 62.27 2yt8 n VAL 59 Cb 0.47 1.32 0.78 0.00 -1.47 0.00 0.00 33.84 34.94 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 3.01 0.48 0.00 3.34 3.04 -1.77 -0.43 116.25 123.92 2yt8 h VAL 60 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2yt8 h VAL 60 Cb 0.69 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 2yt8 h VAL 60 CO 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 177.57 176.52 2yt8 n ALA 61 N -2.38 2.08 -2.83 3.17 0.00 -1.26 -5.03 120.51 114.26 2yt8 n ALA 61 Ca 0.04 -1.83 -0.36 0.00 0.00 0.00 0.00 53.44 51.30 2yt8 n ALA 61 Cb 0.46 -0.24 -0.07 0.00 0.00 0.00 0.00 19.45 19.60 2yt8 n ALA 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2yt8 s THR 62 N -1.85 5.28 0.34 0.00 2.01 -0.17 -5.08 115.64 116.17 2yt8 s THR 62 Ca 0.17 0.13 -0.28 0.00 0.31 0.00 0.00 61.69 62.02 2yt8 s THR 62 Cb 0.15 -3.31 -0.09 0.00 0.01 0.00 0.00 72.50 69.26 2yt8 s THR 62 CO 0.02 0.59 1.21 -2.16 -0.69 0.00 0.00 174.62 173.59 2yt8 s PRO 63 N -0.80 4.31 0.20 4.92 0.04 -1.26 -4.82 135.00 137.59 2yt8 s PRO 63 Ca 0.13 2.00 -0.20 0.00 0.04 0.00 0.00 61.00 62.97 2yt8 s PRO 63 Cb -0.12 -2.96 0.15 0.00 0.04 0.00 0.00 34.50 31.62 2yt8 s PRO 63 CO 0.03 -0.15 1.50 1.58 0.04 0.00 0.00 177.00 180.00 2yt8 n HIS 64 N 0.63 -0.09 -0.23 0.56 -0.00 -1.26 -1.11 115.22 113.72 2yt8 n HIS 64 Ca 0.01 1.20 -0.06 0.00 -0.00 0.00 0.00 57.72 58.87 2yt8 n HIS 64 Cb 0.44 -0.79 -0.05 0.00 -0.00 0.00 0.00 29.99 29.59 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 -3.43 -0.35 -0.11 1.57 0.00 -1.26 -0.09 120.51 116.84 2yt8 n ALA 65 Ca 0.08 0.46 -0.05 0.00 0.00 0.00 0.00 53.44 53.93 2yt8 n ALA 65 Cb 0.35 0.07 0.02 0.00 0.00 0.00 0.00 19.45 19.89 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 0.15 -0.98 0.00 9.65 -1.49 -1.56 114.38 120.16 2yt8 h ARG 66 Ca 0.09 -0.01 0.26 0.00 -1.10 0.00 0.00 59.98 59.22 2yt8 h ARG 66 Cb 0.22 -0.03 -0.13 0.00 -1.39 0.00 0.00 29.97 28.64 2yt8 h ARG 66 CO -0.51 0.10 0.53 0.82 2.80 0.00 0.00 179.97 183.70 2yt8 h ILE 67 N 0.16 0.44 -0.24 1.20 2.04 0.32 0.62 117.51 122.05 2yt8 h ILE 67 Ca 0.18 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.80 2yt8 h ILE 67 Cb 0.22 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 2yt8 h ILE 67 CO -0.26 0.08 -0.22 0.40 0.00 0.00 0.00 178.15 178.15 2yt8 h ILE 68 N 0.45 1.25 0.00 -0.67 1.08 -0.03 -1.12 117.51 118.47 2yt8 h ILE 68 Ca 0.65 -1.18 -0.14 0.00 -0.39 0.00 0.00 64.86 63.80 2yt8 h ILE 68 Cb 1.32 1.32 -0.02 0.00 -3.07 0.00 0.00 36.82 36.36 2yt8 h ILE 68 CO -0.53 0.38 -0.65 -0.33 -0.69 0.00 0.00 178.15 176.32 2yt8 h GLU 69 N 0.40 0.00 0.06 2.37 4.39 0.41 -2.81 114.58 119.41 2yt8 h GLU 69 Ca 0.06 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2yt8 h GLU 69 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2yt8 h GLU 69 CO 0.04 0.65 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.45 2yt8 h LEU 70 N 0.00 -0.07 -0.89 1.33 3.38 -0.68 -2.35 115.31 116.03 2yt8 h LEU 70 Ca -0.01 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.21 2yt8 h LEU 70 Cb 1.18 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.81 2yt8 h LEU 70 CO 0.09 0.20 0.26 -0.07 0.09 0.00 0.00 178.44 179.01 2yt8 h LEU 71 N -0.59 0.04 -0.49 1.67 3.38 -1.35 0.30 115.31 118.26 2yt8 h LEU 71 Ca -0.01 0.20 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 2yt8 h LEU 71 Cb 0.07 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2yt8 h LEU 71 CO 0.01 -0.15 -0.08 0.74 0.09 0.00 0.00 178.44 179.05 2yt8 h THR 72 N 0.22 1.27 0.00 0.22 2.02 -1.63 -2.37 112.91 112.64 2yt8 h THR 72 Ca 0.56 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 66.54 2yt8 h THR 72 Cb 1.14 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 2yt8 h THR 72 CO -0.65 0.42 0.00 -0.62 0.37 0.00 0.00 175.52 175.04 2yt8 n GLU 73 N -4.24 0.08 -3.59 6.66 -0.58 0.97 -4.37 120.64 115.57 2yt8 n GLU 73 Ca 0.01 0.51 -0.40 0.00 -0.42 0.00 0.00 57.16 56.85 2yt8 n GLU 73 Cb 0.37 -1.73 -0.11 0.00 -0.57 0.00 0.00 31.44 29.41 2yt8 n GLU 73 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yt8 s ALA 74 N -3.25 3.33 0.38 0.62 0.00 -0.72 -5.07 121.76 117.05 2yt8 s ALA 74 Ca 0.01 -1.57 0.08 0.00 0.00 0.00 0.00 51.96 50.47 2yt8 s ALA 74 Cb 0.05 -2.57 -0.02 0.00 0.00 0.00 0.00 23.12 20.58 2yt8 s ALA 74 CO 0.17 -1.19 0.35 0.71 0.00 0.00 0.00 175.76 175.80 2yt8 s TYR 75 N 1.61 2.79 0.00 0.00 1.51 -1.26 -4.82 117.35 117.17 2yt8 s TYR 75 Ca 0.04 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.69 2yt8 s TYR 75 Cb -0.18 -2.03 0.00 0.00 -0.11 0.00 0.00 41.96 39.64 2yt8 s TYR 75 CO 0.07 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.92 2yt8 n GLY 76 N -1.49 3.81 3.55 0.71 0.00 0.20 -4.38 105.19 107.59 2yt8 n GLY 76 Ca 0.02 0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 2.92 -0.36 1.61 2.12 -1.25 -0.51 118.70 123.22 2yt8 s GLU 77 Ca 0.00 0.10 -0.07 0.00 0.36 0.00 0.00 54.97 55.36 2yt8 s GLU 77 Cb 0.00 -4.38 0.05 0.00 0.26 0.00 0.00 34.13 30.06 2yt8 s GLU 77 CO 0.00 -2.49 0.15 0.08 -0.54 0.00 0.00 175.26 172.46 2yt8 s VAL 78 N 7.46 3.94 -0.25 3.70 1.01 0.40 -4.94 120.40 131.70 2yt8 s VAL 78 Ca 0.52 -1.18 -0.28 0.00 0.00 0.00 0.00 61.98 61.04 2yt8 s VAL 78 Cb -0.10 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 33.02 2yt8 s VAL 78 CO 0.15 -0.26 0.99 -1.00 0.00 0.00 0.00 175.10 174.98 2yt8 s HIS 79 N 1.41 3.29 -0.18 5.22 3.76 -1.26 -0.79 115.29 126.74 2yt8 s HIS 79 Ca -0.00 1.31 0.01 0.00 -0.15 0.00 0.00 55.06 56.23 2yt8 s HIS 79 Cb -0.20 -3.30 0.02 0.00 1.11 0.00 0.00 32.58 30.21 2yt8 s HIS 79 CO 0.03 -0.52 -0.19 0.42 -0.85 0.00 0.00 174.74 173.63 2yt8 s ILE 80 N 3.19 1.99 -0.46 0.60 1.01 0.42 -0.24 121.20 127.71 2yt8 s ILE 80 Ca 0.42 -0.91 -0.21 0.00 0.00 0.00 0.00 60.65 59.94 2yt8 s ILE 80 Cb -0.14 -1.81 0.03 0.00 0.01 0.00 0.00 42.46 40.54 2yt8 s ILE 80 CO 0.08 0.52 0.70 -0.75 0.00 0.00 0.00 174.94 175.49 2yt8 s LYS 81 N 1.32 3.29 0.03 2.79 2.20 0.53 -1.13 119.74 128.76 2yt8 s LYS 81 Ca 0.05 -0.36 -0.03 0.00 -0.36 0.00 0.00 55.97 55.27 2yt8 s LYS 81 Cb -0.13 -3.97 -0.04 0.00 -1.51 0.00 0.00 37.83 32.17 2yt8 s LYS 81 CO -0.13 -1.10 0.22 0.95 -0.36 0.00 0.00 175.35 174.94 2yt8 s THR 82 N 3.01 5.37 -0.22 3.43 -4.23 -0.10 -2.01 115.64 120.90 2yt8 s THR 82 Ca 0.24 -0.16 -0.18 0.00 -1.18 0.00 0.00 61.69 60.41 2yt8 s THR 82 Cb -0.14 -3.58 0.06 0.00 1.34 0.00 0.00 72.50 70.18 2yt8 s THR 82 CO 0.19 0.24 0.57 -0.32 -0.54 0.00 0.00 174.62 174.76 2yt8 s MET 83 N -2.16 0.64 -0.09 3.99 0.00 0.91 -2.93 119.30 119.65 2yt8 s MET 83 Ca 0.31 0.86 -0.30 0.00 0.00 0.00 0.00 55.69 56.57 2yt8 s MET 83 Cb -0.13 0.25 -0.04 0.00 0.00 0.00 0.00 34.83 34.91 2yt8 s MET 83 CO 0.22 -0.10 1.52 -1.25 0.00 0.00 0.00 175.02 175.41 2yt8 s PRO 84 N 0.66 4.20 0.33 4.11 0.04 -1.26 0.51 135.00 143.59 2yt8 s PRO 84 Ca -0.03 2.01 0.10 0.00 0.04 0.00 0.00 61.00 63.12 2yt8 s PRO 84 Cb -0.05 -3.91 0.98 0.00 0.04 0.00 0.00 34.50 31.56 2yt8 s PRO 84 CO -0.04 -0.80 1.61 0.00 0.04 0.00 0.00 177.00 177.80 2yt8 h ALA 85 N 9.09 1.64 0.06 8.56 0.00 -1.88 -0.89 119.26 135.84 2yt8 h ALA 85 Ca -0.35 0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2yt8 h ALA 85 Cb 1.15 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 2yt8 h ALA 85 CO 0.96 -0.66 -0.30 0.00 0.00 0.00 0.00 179.25 179.25 2yt8 h ALA 86 N 1.92 -0.80 0.02 0.00 0.00 -1.95 -0.27 119.26 118.17 2yt8 h ALA 86 Ca 0.69 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.54 2yt8 h ALA 86 Cb 1.59 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 20.08 2yt8 h ALA 86 CO -0.76 -0.88 -0.12 1.15 0.00 0.00 0.00 179.25 178.65 2yt8 h THR 87 N -0.42 0.00 -0.55 0.00 2.02 -1.57 -0.10 112.91 112.28 2yt8 h THR 87 Ca -0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 2yt8 h THR 87 Cb 0.43 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.77 2yt8 h THR 87 CO -0.16 0.00 -0.32 0.00 0.37 0.00 0.00 175.52 175.40 2yt8 n TYR 88 N -3.11 -0.24 -0.30 3.16 9.36 -0.94 0.72 117.16 125.81 2yt8 n TYR 88 Ca -0.02 0.68 0.13 0.00 3.32 0.00 0.00 57.90 62.01 2yt8 n TYR 88 Cb 0.09 -0.52 0.30 0.00 -0.63 0.00 0.00 39.34 38.57 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 0.38 -0.20 2.98 2.47 -0.91 0.56 114.38 119.67 2yt8 h ARG 89 Ca 0.09 -0.02 -0.07 0.00 -1.26 0.00 0.00 59.98 58.71 2yt8 h ARG 89 Cb 0.22 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 2yt8 h ARG 89 CO -0.51 0.25 -0.20 -0.07 0.56 0.00 0.00 179.97 180.00 2yt8 h LEU 90 N 0.40 0.34 -0.25 3.04 3.38 0.23 -2.49 115.31 119.94 2yt8 h LEU 90 Ca 0.55 -0.09 -0.18 0.00 0.09 0.00 0.00 57.88 58.24 2yt8 h LEU 90 Cb 1.03 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 2yt8 h LEU 90 CO -0.53 0.56 -0.88 -0.07 0.09 0.00 0.00 178.44 177.61 2yt8 h LEU 91 N 0.31 0.01 -2.40 1.67 3.38 0.40 -3.12 115.31 115.57 2yt8 h LEU 91 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2yt8 h LEU 91 Cb 0.54 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2yt8 h LEU 91 CO 0.04 0.88 0.00 0.35 0.09 0.00 0.00 178.44 179.80 2yt8 n THR 92 N -3.50 1.50 -3.75 0.22 -2.24 0.91 -4.91 114.28 102.50 2yt8 n THR 92 Ca -0.00 -0.81 -0.23 0.00 -2.27 0.00 0.00 64.05 60.74 2yt8 n THR 92 Cb 0.83 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.78 2yt8 n THR 92 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2yt8 s GLY 93 N -0.56 2.24 0.00 3.38 0.00 -0.97 -5.01 107.32 106.40 2yt8 s GLY 93 Ca 0.32 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.28 2yt8 s GLY 93 CO 0.11 -1.81 0.19 0.61 0.00 0.00 0.00 173.10 172.20