#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wri s TYR 2 N 0.00 3.63 -0.19 0.00 2.02 -0.02 -4.89 117.35 117.90 1wri s TYR 2 Ca 0.00 1.16 -0.25 0.00 -0.37 0.00 0.00 57.07 57.61 1wri s TYR 2 Cb 0.00 -2.65 -0.01 0.00 -0.40 0.00 0.00 41.96 38.90 1wri s TYR 2 CO 0.00 0.26 0.84 0.21 -1.57 0.00 0.00 175.55 175.29 1wri s LYS 3 N 0.18 4.26 -0.16 -0.62 2.20 -1.26 -0.61 119.74 123.72 1wri s LYS 3 Ca 0.32 1.02 -0.01 0.00 -0.36 0.00 0.00 55.97 56.93 1wri s LYS 3 Cb -0.18 -3.60 -0.01 0.00 -1.51 0.00 0.00 37.83 32.53 1wri s LYS 3 CO 0.16 -0.40 -0.10 0.08 -0.36 0.00 0.00 175.35 174.73 1wri s VAL 4 N 2.42 3.13 -0.20 4.02 1.01 0.50 -0.86 120.40 130.42 1wri s VAL 4 Ca 0.38 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 1wri s VAL 4 Cb -0.16 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1wri s VAL 4 CO 0.10 0.49 -0.06 -0.89 0.00 0.00 0.00 175.10 174.74 1wri s THR 5 N 0.79 3.32 -0.31 3.92 2.01 -0.07 -0.66 115.64 124.63 1wri s THR 5 Ca -0.04 -0.52 -0.12 0.00 0.31 0.00 0.00 61.69 61.32 1wri s THR 5 Cb -0.15 -2.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.85 1wri s THR 5 CO 0.01 0.45 0.20 -0.76 -0.69 0.00 0.00 174.62 173.83 1wri s LEU 6 N 1.20 4.24 -0.64 4.42 1.43 0.16 -0.91 118.68 128.58 1wri s LEU 6 Ca 0.02 -0.28 -0.19 0.00 -1.03 0.00 0.00 54.13 52.66 1wri s LEU 6 Cb -0.14 -2.10 0.11 0.00 0.03 0.00 0.00 46.19 44.08 1wri s LEU 6 CO -0.02 -0.15 0.75 -0.54 0.23 0.00 0.00 176.35 176.62 1wri s LYS 7 N 1.72 3.13 0.38 1.70 1.02 0.19 -1.06 119.74 126.83 1wri s LYS 7 Ca 0.06 -1.43 0.05 0.00 0.02 0.00 0.00 55.97 54.67 1wri s LYS 7 Cb -0.17 -4.33 -0.00 0.00 -0.52 0.00 0.00 37.83 32.81 1wri s LYS 7 CO 0.10 -1.55 0.55 0.95 -0.92 0.00 0.00 175.35 174.47 1wri s THR 8 N 2.54 3.92 0.65 2.17 -4.23 -0.32 -1.50 115.64 118.87 1wri s THR 8 Ca 0.14 -0.84 0.41 0.00 -1.18 0.00 0.00 61.69 60.23 1wri s THR 8 Cb -0.21 -3.39 0.42 0.00 1.34 0.00 0.00 72.50 70.66 1wri s THR 8 CO 0.04 -0.19 2.33 -0.65 -0.54 0.00 0.00 174.62 175.61 1wri h PRO 9 N 0.69 0.00 -0.32 3.99 0.11 -1.96 -2.37 132.00 132.14 1wri h PRO 9 Ca -0.45 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 1wri h PRO 9 Cb 1.26 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 1wri h PRO 9 CO 0.54 0.00 0.01 -0.25 -0.21 0.00 0.00 178.00 178.09 1wri n ASP 10 N -3.25 3.80 0.00 -2.05 10.43 -1.26 -5.06 116.55 119.16 1wri n ASP 10 Ca -0.03 -3.14 0.00 0.00 2.57 0.00 0.00 54.79 54.19 1wri n ASP 10 Cb 0.09 -0.58 0.00 0.00 1.84 0.00 0.00 41.12 42.47 1wri n ASP 10 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1wri n GLY 11 N -0.55 3.29 3.89 0.44 0.00 -0.89 -5.09 105.19 106.29 1wri n GLY 11 Ca 0.25 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 1wri n GLY 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wri s ASP 12 N 0.00 6.40 -0.01 1.61 1.01 -1.26 -1.17 116.67 123.25 1wri s ASP 12 Ca 0.00 0.42 0.02 0.00 0.71 0.00 0.00 52.55 53.70 1wri s ASP 12 Cb 0.00 -2.04 -0.00 0.00 1.01 0.00 0.00 42.92 41.89 1wri s ASP 12 CO 0.00 0.30 -0.07 -0.51 0.21 0.00 0.00 175.17 175.10 1wri s ILE 13 N -1.24 0.56 -0.06 0.77 1.10 -0.22 -4.98 121.20 117.12 1wri s ILE 13 Ca 0.24 -0.29 0.05 0.00 -0.51 0.00 0.00 60.65 60.14 1wri s ILE 13 Cb -0.13 -0.47 -0.01 0.00 0.15 0.00 0.00 42.46 42.00 1wri s ILE 13 CO 0.14 0.16 -0.22 -0.89 -2.11 0.00 0.00 174.94 172.02 1wri s THR 14 N -0.10 2.30 0.12 4.00 2.01 -1.26 -0.67 115.64 122.04 1wri s THR 14 Ca 0.02 -0.98 -0.12 0.00 0.31 0.00 0.00 61.69 60.92 1wri s THR 14 Cb -0.03 -1.85 0.01 0.00 0.01 0.00 0.00 72.50 70.63 1wri s THR 14 CO -0.00 0.57 0.30 0.72 -0.69 0.00 0.00 174.62 175.52 1wri s PHE 15 N -0.24 0.06 0.06 4.92 -0.12 0.17 -4.98 117.98 117.84 1wri s PHE 15 Ca -0.01 -0.43 -0.10 0.00 -0.05 0.00 0.00 56.93 56.34 1wri s PHE 15 Cb -0.13 0.08 -0.06 0.00 -0.63 0.00 0.00 43.02 42.29 1wri s PHE 15 CO 0.03 -0.66 0.38 -0.51 -0.05 0.00 0.00 175.22 174.41 1wri s ASP 16 N -2.86 6.63 -0.08 1.98 -0.00 -1.26 -0.37 116.67 120.71 1wri s ASP 16 Ca 0.07 0.77 0.04 0.00 -0.00 0.00 0.00 52.55 53.42 1wri s ASP 16 Cb 0.03 -2.17 0.00 0.00 -0.00 0.00 0.00 42.92 40.78 1wri s ASP 16 CO -0.09 0.20 -0.19 -0.69 -0.00 0.00 0.00 175.17 174.41 1wri s VAL 17 N -1.34 1.64 0.30 -1.27 1.01 0.22 -4.95 120.40 116.01 1wri s VAL 17 Ca 0.31 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 1wri s VAL 17 Cb -0.14 -1.44 -0.10 0.00 0.00 0.00 0.00 36.38 34.70 1wri s VAL 17 CO 0.17 0.47 1.24 -1.61 0.00 0.00 0.00 175.10 175.37 1wri s GLU 18 N 0.39 4.45 0.18 2.72 0.41 -1.26 -0.84 118.70 124.75 1wri s GLU 18 Ca -0.15 2.07 -0.32 0.00 -0.41 0.00 0.00 54.97 56.16 1wri s GLU 18 Cb -0.16 -3.12 -0.12 0.00 -1.78 0.00 0.00 34.13 28.95 1wri s GLU 18 CO 0.06 -0.06 1.76 -2.30 -0.49 0.00 0.00 175.26 174.22 1wri n PRO 19 N 1.11 2.75 0.00 0.39 -0.02 -1.26 -1.35 135.00 136.62 1wri n PRO 19 Ca 0.00 1.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 1wri n PRO 19 Cb 0.43 -2.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.05 1wri n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wri n GLY 20 N 4.03 2.49 3.83 -1.23 0.00 -1.26 -5.08 105.19 107.97 1wri n GLY 20 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1wri n GLY 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wri s GLU 21 N -0.85 4.11 0.30 1.61 0.41 -0.46 -4.99 118.70 118.83 1wri s GLU 21 Ca 0.00 1.00 -0.29 0.00 -0.41 0.00 0.00 54.97 55.27 1wri s GLU 21 Cb 0.00 -2.20 -0.10 0.00 -1.78 0.00 0.00 34.13 30.05 1wri s GLU 21 CO 0.00 -0.08 1.32 1.03 -0.49 0.00 0.00 175.26 177.04 1wri s ARG 22 N -3.45 4.36 0.52 1.61 0.52 -1.26 -4.08 118.95 117.16 1wri s ARG 22 Ca 0.60 2.19 0.32 0.00 -0.52 0.00 0.00 55.73 58.32 1wri s ARG 22 Cb -0.09 -3.10 1.25 0.00 0.52 0.00 0.00 34.95 33.53 1wri s ARG 22 CO 0.20 -0.22 1.93 1.37 0.02 0.00 0.00 175.30 178.60 1wri h LEU 23 N 3.93 0.00 -1.40 2.53 8.10 -1.72 -3.17 115.31 123.58 1wri h LEU 23 Ca -0.48 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.49 1wri h LEU 23 Cb 1.22 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.44 1wri h LEU 23 CO 0.69 0.00 -0.12 -0.29 -4.11 0.00 0.00 178.44 174.61 1wri h ILE 24 N 0.00 0.34 0.21 0.15 6.09 -1.80 -0.38 117.51 122.13 1wri h ILE 24 Ca 0.00 -0.79 -0.01 0.00 -1.37 0.00 0.00 64.86 62.69 1wri h ILE 24 Cb 0.54 1.60 0.00 0.00 0.47 0.00 0.00 36.82 39.43 1wri h ILE 24 CO 0.00 0.12 -0.10 0.44 -3.07 0.00 0.00 178.15 175.54 1wri h ASP 25 N 0.00 -0.24 0.77 2.19 3.32 -1.93 0.07 116.42 120.60 1wri h ASP 25 Ca -0.00 -0.16 -0.24 0.00 0.02 0.00 0.00 57.03 56.65 1wri h ASP 25 Cb 0.59 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1wri h ASP 25 CO 0.02 0.02 -1.10 0.40 -1.72 0.00 0.00 179.24 176.86 1wri h ILE 26 N -0.51 1.59 -0.47 0.35 2.04 -1.79 -3.31 117.51 115.40 1wri h ILE 26 Ca -0.03 -3.14 0.08 0.00 1.00 0.00 0.00 64.86 62.76 1wri h ILE 26 Cb 0.39 2.84 -0.06 0.00 -0.74 0.00 0.00 36.82 39.24 1wri h ILE 26 CO 0.05 0.91 0.11 1.23 0.00 0.00 0.00 178.15 180.45 1wri h GLY 27 N 2.18 0.59 2.00 5.37 0.00 -0.94 0.53 103.07 112.80 1wri h GLY 27 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1wri h GLY 27 CO 0.17 -0.05 0.00 1.48 0.00 0.00 0.00 176.54 178.14 1wri h SER 28 N 0.25 0.00 0.87 0.19 4.64 -1.08 -0.26 113.55 118.15 1wri h SER 28 Ca 0.23 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.36 1wri h SER 28 Cb 0.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1wri h SER 28 CO -0.29 0.00 -0.91 -0.33 -0.87 0.00 0.00 176.83 174.43 1wri h GLU 29 N 0.00 0.02 0.00 4.77 5.08 -1.01 -3.37 114.58 120.08 1wri h GLU 29 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1wri h GLU 29 Cb 0.20 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1wri h GLU 29 CO 0.00 0.91 -1.46 1.63 -1.00 0.00 0.00 179.01 179.09 1wri n LYS 30 N -3.49 0.59 -3.73 2.33 4.76 -0.60 -4.96 118.16 113.05 1wri n LYS 30 Ca -0.01 -0.10 -0.11 0.00 -2.87 0.00 0.00 58.31 55.23 1wri n LYS 30 Cb 0.85 -1.45 -0.06 0.00 -1.84 0.00 0.00 35.03 32.53 1wri n LYS 30 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wri s ALA 31 N -3.14 -0.67 -0.43 7.82 0.00 -0.21 -5.03 121.76 120.09 1wri s ALA 31 Ca -0.01 -0.15 -0.23 0.00 0.00 0.00 0.00 51.96 51.57 1wri s ALA 31 Cb 0.14 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.77 1wri s ALA 31 CO 0.82 -0.52 0.79 -0.51 0.00 0.00 0.00 175.76 176.34 1wri s ASP 32 N -2.51 6.44 -0.09 0.00 1.01 -1.26 -4.32 116.67 115.95 1wri s ASP 32 Ca 0.00 0.00 0.03 0.00 0.71 0.00 0.00 52.55 53.30 1wri s ASP 32 Cb 0.02 -2.39 -0.01 0.00 1.01 0.00 0.00 42.92 41.54 1wri s ASP 32 CO -0.08 -0.88 -0.19 -0.76 0.21 0.00 0.00 175.17 173.47 1wri s LEU 33 N 3.26 2.43 0.19 1.23 1.43 -1.26 -5.08 118.68 120.87 1wri s LEU 33 Ca 0.30 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.72 1wri s LEU 33 Cb -0.12 -1.49 -0.08 0.00 0.03 0.00 0.00 46.19 44.52 1wri s LEU 33 CO 0.21 0.23 1.13 -2.16 0.23 0.00 0.00 176.35 175.99 1wri s PRO 34 N -0.05 4.57 0.04 1.29 0.04 -1.26 -5.03 135.00 134.59 1wri s PRO 34 Ca -0.05 1.77 -0.01 0.00 0.04 0.00 0.00 61.00 62.75 1wri s PRO 34 Cb -0.14 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 1wri s PRO 34 CO 0.04 0.04 -0.01 -0.51 0.04 0.00 0.00 177.00 176.60 1wri s LEU 35 N -0.41 2.28 0.00 -3.56 2.01 -1.26 -3.73 118.68 114.00 1wri s LEU 35 Ca 0.50 -0.73 0.00 0.00 0.01 0.00 0.00 54.13 53.91 1wri s LEU 35 Cb -0.30 0.23 0.00 0.00 0.01 0.00 0.00 46.19 46.13 1wri s LEU 35 CO 0.36 -0.47 0.00 -1.20 1.01 0.00 0.00 176.35 176.05 1wri n SER 36 N 0.80 0.00 0.15 2.29 7.64 -1.26 -4.95 113.62 118.28 1wri n SER 36 Ca -0.19 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.72 1wri n SER 36 Cb 0.58 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.91 1wri n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wri n GLN 38 N -3.37 -1.51 0.00 0.00 6.02 -1.26 -4.80 117.38 112.46 1wri n GLN 38 Ca 0.01 0.98 0.00 0.00 -0.01 0.00 0.00 57.00 57.97 1wri n GLN 38 Cb 0.67 -5.38 0.00 0.00 1.02 0.00 0.00 30.24 26.56 1wri n GLN 38 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wri n ALA 39 N 0.22 1.10 -0.89 -1.58 0.00 -1.26 -4.85 120.51 113.26 1wri n ALA 39 Ca -0.18 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1wri n ALA 39 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1wri n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wri n GLY 40 N -0.09 0.48 0.30 0.00 0.00 -1.26 -4.75 105.19 99.87 1wri n GLY 40 Ca 0.00 -0.70 0.05 0.00 0.00 0.00 0.00 46.02 45.38 1wri n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wri n ALA 41 N 0.67 2.28 -3.00 4.61 0.00 -1.26 -0.21 120.51 123.60 1wri n ALA 41 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 53.44 51.71 1wri n ALA 41 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.13 1wri n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wri n SER 43 N -1.67 1.68 -0.28 0.00 3.41 -1.26 -4.76 113.62 110.74 1wri n SER 43 Ca 0.00 -2.10 0.04 0.00 -0.26 0.00 0.00 58.87 56.55 1wri n SER 43 Cb 0.00 -0.11 0.25 0.00 -0.26 0.00 0.00 64.21 64.10 1wri n SER 43 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1wri h THR 44 N 0.82 1.08 -0.40 6.66 2.02 -1.97 -1.84 112.91 119.29 1wri h THR 44 Ca 0.00 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1wri h THR 44 Cb 0.73 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1wri h THR 44 CO 0.00 0.18 0.00 0.00 0.37 0.00 0.00 175.52 176.07 1wri n LEU 46 N 0.59 3.55 0.00 0.00 7.94 -0.69 -3.07 117.00 125.32 1wri n LEU 46 Ca 0.16 1.19 -0.16 0.00 -1.11 0.00 0.00 56.01 56.09 1wri n LEU 46 Cb 0.61 -1.48 -0.06 0.00 0.53 0.00 0.00 43.42 43.02 1wri n LEU 46 CO 0.15 -0.42 -0.09 0.61 -1.11 0.00 0.00 177.39 176.53 1wri n GLY 47 N 1.17 3.31 2.90 -3.96 0.00 0.18 -1.36 105.19 107.43 1wri n GLY 47 Ca 0.06 -1.93 -0.22 0.00 0.00 0.00 0.00 46.02 43.93 1wri n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wri s LYS 48 N -3.07 1.03 -0.08 1.61 2.20 0.26 -1.20 119.74 120.49 1wri s LYS 48 Ca 0.23 -0.14 -0.30 0.00 -0.36 0.00 0.00 55.97 55.41 1wri s LYS 48 Cb 0.01 -1.05 -0.02 0.00 -1.51 0.00 0.00 37.83 35.26 1wri s LYS 48 CO 0.17 -0.12 1.07 0.42 -0.36 0.00 0.00 175.35 176.52 1wri s ILE 49 N 1.15 4.59 -0.12 5.43 1.01 0.35 -0.58 121.20 133.04 1wri s ILE 49 Ca -0.07 1.88 0.02 0.00 0.00 0.00 0.00 60.65 62.48 1wri s ILE 49 Cb -0.14 -4.21 -0.24 0.00 0.01 0.00 0.00 42.46 37.88 1wri s ILE 49 CO -0.01 0.02 0.35 0.52 0.00 0.00 0.00 174.94 175.82 1wri n VAL 50 N 4.51 1.67 -3.59 2.92 0.31 0.63 -4.87 118.33 119.91 1wri n VAL 50 Ca 0.09 -0.70 -0.14 0.00 -0.01 0.00 0.00 64.34 63.58 1wri n VAL 50 Cb 0.48 -1.40 -0.06 0.00 -0.91 0.00 0.00 33.84 31.95 1wri n VAL 50 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1wri s SER 51 N -6.59 -0.43 0.00 4.52 1.04 -1.12 -4.97 113.70 106.15 1wri s SER 51 Ca -0.18 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1wri s SER 51 Cb 0.07 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1wri s SER 51 CO 0.77 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.92 1wri n GLY 52 N 0.56 -2.15 3.01 7.32 0.00 -1.26 -1.45 105.19 111.23 1wri n GLY 52 Ca -0.19 -1.71 -0.14 0.00 0.00 0.00 0.00 46.02 43.98 1wri n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wri s THR 53 N -0.18 0.49 0.16 2.61 2.01 -1.26 -4.97 115.64 114.50 1wri s THR 53 Ca 0.00 -0.67 0.06 0.00 0.31 0.00 0.00 61.69 61.39 1wri s THR 53 Cb 0.00 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 1wri s THR 53 CO 0.00 -0.14 -0.13 0.68 -0.69 0.00 0.00 174.62 174.35 1wri s VAL 54 N -0.77 1.41 -0.37 3.82 -7.23 -1.26 -0.90 120.40 115.10 1wri s VAL 54 Ca -0.04 -2.02 -0.16 0.00 -1.81 0.00 0.00 61.98 57.94 1wri s VAL 54 Cb -0.06 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 35.05 1wri s VAL 54 CO 0.00 -0.61 0.41 -0.62 -0.31 0.00 0.00 175.10 173.97 1wri s ASP 55 N -3.03 6.20 -0.19 4.85 2.15 0.41 -4.87 116.67 122.20 1wri s ASP 55 Ca 0.17 -0.36 0.13 0.00 0.43 0.00 0.00 52.55 52.92 1wri s ASP 55 Cb -0.01 -2.22 0.43 0.00 -0.30 0.00 0.00 42.92 40.83 1wri s ASP 55 CO 0.03 -0.44 1.20 0.00 -0.17 0.00 0.00 175.17 175.79 1wri n GLN 56 N 5.51 1.58 0.07 4.34 10.64 -1.26 -0.95 117.38 137.30 1wri n GLN 56 Ca -0.08 -3.20 0.09 0.00 -1.83 0.00 0.00 57.00 51.98 1wri n GLN 56 Cb 0.49 -1.43 0.40 0.00 -0.86 0.00 0.00 30.24 28.83 1wri n GLN 56 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1wri n SER 57 N -0.79 0.37 0.26 2.61 3.41 -1.26 -1.19 113.62 117.03 1wri n SER 57 Ca 0.20 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.54 1wri n SER 57 Cb 0.80 -0.67 0.67 0.00 -0.26 0.00 0.00 64.21 64.75 1wri n SER 57 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1wri h GLU 58 N 0.00 0.00 -7.04 4.33 5.08 -1.88 -3.45 114.58 111.61 1wri h GLU 58 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 1wri h GLU 58 Cb 0.28 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.57 1wri h GLU 58 CO 0.00 0.13 0.42 0.20 -1.00 0.00 0.00 179.01 178.76 1wri s GLY 59 N -4.22 2.64 0.00 -3.84 0.00 -0.33 -4.79 107.32 96.78 1wri s GLY 59 Ca -0.01 0.75 0.00 0.00 0.00 0.00 0.00 44.72 45.46 1wri s GLY 59 CO 0.58 1.13 0.17 -1.14 0.00 0.00 0.00 173.10 173.84 1wri n SER 60 N -0.81 0.33 0.01 1.64 3.41 0.71 -4.87 113.62 114.03 1wri n SER 60 Ca 0.09 -0.65 -0.21 0.00 -0.26 0.00 0.00 58.87 57.84 1wri n SER 60 Cb 0.51 0.45 -0.14 0.00 -0.26 0.00 0.00 64.21 64.77 1wri n SER 60 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1wri h PHE 61 N 0.00 0.44 -3.99 7.33 3.57 -1.77 -3.47 116.94 119.05 1wri h PHE 61 Ca 0.00 -0.32 -0.49 0.00 3.53 0.00 0.00 57.97 60.69 1wri h PHE 61 Cb 0.05 -0.02 0.03 0.00 2.79 0.00 0.00 35.95 38.80 1wri h PHE 61 CO 0.00 1.57 0.43 -0.51 -2.23 0.00 0.00 178.31 177.57 1wri s LEU 62 N -7.51 4.06 0.65 0.59 1.43 -1.26 -5.03 118.68 111.61 1wri s LEU 62 Ca -0.20 2.09 -0.03 0.00 -1.03 0.00 0.00 54.13 54.95 1wri s LEU 62 Cb 0.05 -4.26 0.06 0.00 0.03 0.00 0.00 46.19 42.07 1wri s LEU 62 CO 0.76 -0.64 0.93 1.51 0.23 0.00 0.00 176.35 179.14 1wri s ASP 63 N -1.58 4.92 0.23 2.29 3.84 -1.26 -4.89 116.67 120.22 1wri s ASP 63 Ca 0.61 0.23 -0.08 0.00 -0.00 0.00 0.00 52.55 53.30 1wri s ASP 63 Cb -0.23 -0.94 0.21 0.00 -1.38 0.00 0.00 42.92 40.59 1wri s ASP 63 CO 0.28 -1.47 1.89 0.44 -0.00 0.00 0.00 175.17 176.31 1wri h ASP 64 N -0.36 0.94 -0.51 2.11 3.32 -1.99 -1.32 116.42 118.60 1wri h ASP 64 Ca -0.43 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.56 1wri h ASP 64 Cb 1.30 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 1wri h ASP 64 CO 0.56 0.67 0.17 -0.08 -1.72 0.00 0.00 179.24 178.83 1wri h GLU 65 N 1.11 0.79 -0.58 3.56 4.81 -1.98 0.24 114.58 122.52 1wri h GLU 65 Ca 0.32 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1wri h GLU 65 Cb -0.08 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 1wri h GLU 65 CO -0.08 0.73 0.28 1.96 -0.73 0.00 0.00 179.01 181.17 1wri h GLN 66 N 0.70 0.84 -0.90 1.92 4.20 -1.80 -0.46 115.11 119.61 1wri h GLN 66 Ca 0.17 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1wri h GLN 66 Cb 0.26 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.85 1wri h GLN 66 CO -0.01 0.69 0.50 0.82 -0.67 0.00 0.00 178.83 180.16 1wri h ILE 67 N 0.80 1.26 0.00 2.54 1.08 -1.01 -2.18 117.51 119.99 1wri h ILE 67 Ca 0.20 -0.62 -0.04 0.00 -0.39 0.00 0.00 64.86 64.02 1wri h ILE 67 Cb 0.12 0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 33.90 1wri h ILE 67 CO -0.02 0.28 -0.18 -0.33 -0.69 0.00 0.00 178.15 177.21 1wri h GLU 68 N 1.25 0.00 -0.00 2.37 5.08 -0.34 -1.68 114.58 121.26 1wri h GLU 68 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1wri h GLU 68 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1wri h GLU 68 CO -0.05 0.18 -0.13 1.04 -1.00 0.00 0.00 179.01 179.05 1wri n GLN 69 N -3.58 0.58 -0.06 2.33 6.02 -0.24 -4.93 117.38 117.51 1wri n GLN 69 Ca -0.01 -0.19 0.00 0.00 -0.01 0.00 0.00 57.00 56.78 1wri n GLN 69 Cb 0.32 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.08 1wri n GLN 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wri n GLY 70 N 1.31 0.87 3.76 1.08 0.00 -0.63 -4.90 105.19 106.68 1wri n GLY 70 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1wri n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wri s TYR 71 N -2.03 2.46 -0.10 1.61 1.51 -0.86 -0.49 117.35 119.46 1wri s TYR 71 Ca 0.00 1.56 -0.09 0.00 -1.01 0.00 0.00 57.07 57.53 1wri s TYR 71 Cb 0.00 -3.30 0.03 0.00 -0.11 0.00 0.00 41.96 38.58 1wri s TYR 71 CO 0.00 -1.95 0.26 0.54 -1.11 0.00 0.00 175.55 173.29 1wri s VAL 72 N -2.06 -0.00 -0.58 0.71 0.11 -0.34 -4.60 120.40 113.63 1wri s VAL 72 Ca 0.71 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 59.54 1wri s VAL 72 Cb -0.24 -0.37 0.06 0.00 -1.53 0.00 0.00 36.38 34.30 1wri s VAL 72 CO 0.39 0.00 0.89 -0.76 -3.33 0.00 0.00 175.10 172.29 1wri s LEU 73 N 0.16 4.37 0.55 2.54 1.02 -1.26 -0.65 118.68 125.41 1wri s LEU 73 Ca -0.00 -0.69 0.32 0.00 0.02 0.00 0.00 54.13 53.78 1wri s LEU 73 Cb -0.02 -2.61 1.54 0.00 0.02 0.00 0.00 46.19 45.12 1wri s LEU 73 CO 0.00 -1.24 2.07 0.71 0.02 0.00 0.00 176.35 177.91 1wri h THR 74 N 5.98 0.29 0.00 5.49 1.35 -1.89 -2.56 112.91 121.56 1wri h THR 74 Ca -0.27 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1wri h THR 74 Cb 1.08 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1wri h THR 74 CO 1.10 0.07 0.00 0.00 -0.25 0.00 0.00 175.52 176.44 1wri n ILE 76 N -2.99 0.00 -2.11 0.00 -6.64 -1.09 -4.78 119.36 101.75 1wri n ILE 76 Ca 0.01 -0.44 -0.41 0.00 -1.77 0.00 0.00 62.75 60.14 1wri n ILE 76 Cb 0.33 1.08 -0.03 0.00 -1.44 0.00 0.00 39.64 39.59 1wri n ILE 76 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1wri s ALA 77 N -0.29 3.58 -0.28 -1.28 0.00 -0.98 -4.72 121.76 117.79 1wri s ALA 77 Ca 0.00 1.22 -0.02 0.00 0.00 0.00 0.00 51.96 53.17 1wri s ALA 77 Cb 0.00 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.64 1wri s ALA 77 CO 0.00 -0.64 -0.02 0.42 0.00 0.00 0.00 175.76 175.51 1wri s ILE 78 N 0.10 2.93 0.55 0.00 1.01 -0.13 -2.10 121.20 123.56 1wri s ILE 78 Ca 0.58 -1.27 -0.22 0.00 0.00 0.00 0.00 60.65 59.75 1wri s ILE 78 Cb -0.39 -2.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.40 1wri s ILE 78 CO 0.40 -0.00 1.31 -2.65 0.00 0.00 0.00 174.94 174.00 1wri n PRO 79 N 4.63 1.61 0.00 2.79 -0.02 -1.26 -0.45 135.00 142.31 1wri n PRO 79 Ca -0.14 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1wri n PRO 79 Cb 0.44 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1wri n PRO 79 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1wri n GLU 80 N -0.98 2.56 -3.83 -0.52 1.02 -0.08 -4.51 120.64 114.30 1wri n GLU 80 Ca 0.11 -1.35 -0.06 0.00 -0.02 0.00 0.00 57.16 55.83 1wri n GLU 80 Cb 0.45 -0.93 0.01 0.00 -0.02 0.00 0.00 31.44 30.94 1wri n GLU 80 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1wri s SER 81 N -0.86 -0.05 0.33 1.62 1.04 -1.21 -4.88 113.70 109.69 1wri s SER 81 Ca 0.00 -0.82 -0.29 0.00 0.48 0.00 0.00 55.95 55.32 1wri s SER 81 Cb 0.00 0.67 -0.12 0.00 0.10 0.00 0.00 66.02 66.67 1wri s SER 81 CO 0.00 -1.31 1.43 0.47 0.98 0.00 0.00 173.24 174.81 1wri n ASP 82 N -1.10 3.31 -3.99 7.02 8.00 -1.26 -4.66 116.55 123.87 1wri n ASP 82 Ca -0.06 1.19 -0.12 0.00 0.71 0.00 0.00 54.79 56.52 1wri n ASP 82 Cb 0.60 -1.54 -0.12 0.00 -0.02 0.00 0.00 41.12 40.04 1wri n ASP 82 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wri s VAL 83 N -0.74 0.29 -0.13 2.53 0.11 -0.04 -4.11 120.40 118.30 1wri s VAL 83 Ca 0.58 -0.78 0.02 0.00 -2.93 0.00 0.00 61.98 58.87 1wri s VAL 83 Cb -0.53 -0.37 0.01 0.00 -1.53 0.00 0.00 36.38 33.96 1wri s VAL 83 CO 0.58 -0.33 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.13 1wri s VAL 84 N -1.10 1.96 -0.05 2.04 1.01 -0.53 -0.90 120.40 122.84 1wri s VAL 84 Ca -0.10 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1wri s VAL 84 Cb -0.08 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.57 1wri s VAL 84 CO -0.00 0.53 -0.10 -0.63 0.00 0.00 0.00 175.10 174.89 1wri s ILE 85 N 0.83 0.98 -0.13 2.22 1.01 -0.08 -0.27 121.20 125.76 1wri s ILE 85 Ca -0.07 -0.40 -0.27 0.00 0.00 0.00 0.00 60.65 59.91 1wri s ILE 85 Cb -0.15 -0.90 -0.02 0.00 0.01 0.00 0.00 42.46 41.40 1wri s ILE 85 CO -0.01 0.32 0.88 -1.61 0.00 0.00 0.00 174.94 174.51 1wri s GLU 86 N 0.60 4.37 0.62 2.79 2.02 0.25 -0.63 118.70 128.71 1wri s GLU 86 Ca -0.12 1.13 0.03 0.00 0.02 0.00 0.00 54.97 56.04 1wri s GLU 86 Cb -0.14 -3.54 0.08 0.00 0.10 0.00 0.00 34.13 30.63 1wri s GLU 86 CO 0.02 -0.26 0.85 0.95 0.02 0.00 0.00 175.26 176.85 1wri s THR 87 N 1.86 2.35 -1.02 3.63 -4.23 -0.56 -0.57 115.64 117.10 1wri s THR 87 Ca 0.42 -0.75 -0.04 0.00 -1.18 0.00 0.00 61.69 60.13 1wri s THR 87 Cb -0.17 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.08 1wri s THR 87 CO 0.16 0.00 0.88 1.41 -0.54 0.00 0.00 174.62 176.52 1wri n HIS 88 N -2.48 -2.06 0.28 3.99 8.25 -1.14 -4.73 115.22 117.32 1wri n HIS 88 Ca 0.13 0.78 0.10 0.00 -0.26 0.00 0.00 57.72 58.46 1wri n HIS 88 Cb 0.60 -4.27 0.17 0.00 1.12 0.00 0.00 29.99 27.61 1wri n HIS 88 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1wri n LYS 89 N -3.82 2.19 0.13 -0.41 4.76 -0.46 -4.60 118.16 115.94 1wri n LYS 89 Ca -0.08 -2.02 0.15 0.00 -2.87 0.00 0.00 58.31 53.48 1wri n LYS 89 Cb 0.58 -1.41 0.68 0.00 -1.84 0.00 0.00 35.03 33.03 1wri n LYS 89 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1wri h GLU 90 N 3.63 0.00 0.00 1.97 4.81 -1.81 -0.06 114.58 123.12 1wri h GLU 90 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1wri h GLU 90 Cb 0.85 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1wri h GLU 90 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 177.88 1wri n ASP 91 N -4.42 0.00 0.07 1.04 5.75 -1.26 -1.59 116.55 116.14 1wri n ASP 91 Ca 0.04 0.24 0.13 0.00 -0.01 0.00 0.00 54.79 55.18 1wri n ASP 91 Cb 0.36 -0.35 0.39 0.00 -1.03 0.00 0.00 41.12 40.48 1wri n ASP 91 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1wri n GLU 92 N -1.35 0.20 0.00 0.11 1.02 -0.03 -5.29 120.64 115.29 1wri n GLU 92 Ca 0.04 0.13 0.13 0.00 -0.02 0.00 0.00 57.16 57.44 1wri n GLU 92 Cb 0.09 -1.70 0.74 0.00 -0.02 0.00 0.00 31.44 30.56 1wri n GLU 92 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59