#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsh n MET 2 N 0.00 1.00 -3.67 0.00 -0.00 -1.26 -4.99 117.12 108.21 1bsh n MET 2 Ca 0.00 -2.15 -0.11 0.00 -0.00 0.00 0.00 57.70 55.44 1bsh n MET 2 Cb 0.00 -0.37 -0.05 0.00 -0.00 0.00 0.00 33.22 32.80 1bsh n MET 2 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1bsh s THR 3 N -1.32 0.07 0.34 3.17 -1.32 -1.26 -4.45 115.64 110.88 1bsh s THR 3 Ca 0.19 -0.61 -0.17 0.00 -1.21 0.00 0.00 61.69 59.89 1bsh s THR 3 Cb 0.32 -1.12 0.04 0.00 -1.51 0.00 0.00 72.50 70.23 1bsh s THR 3 CO -0.09 -0.33 0.75 -0.72 -2.21 0.00 0.00 174.62 172.02 1bsh s TYR 4 N -3.42 0.02 -0.24 9.09 1.13 -0.49 -4.66 117.35 118.78 1bsh s TYR 4 Ca 0.01 -0.60 -0.11 0.00 -1.41 0.00 0.00 57.07 54.96 1bsh s TYR 4 Cb 0.01 0.76 -0.05 0.00 -1.10 0.00 0.00 41.96 41.58 1bsh s TYR 4 CO -0.09 -1.42 0.19 -1.58 -2.51 0.00 0.00 175.55 170.14 1bsh s HIS 5 N -3.01 3.32 0.27 -3.49 5.65 -0.71 0.81 115.29 118.13 1bsh s HIS 5 Ca 0.14 0.26 0.10 0.00 0.25 0.00 0.00 55.06 55.81 1bsh s HIS 5 Cb -0.05 -2.30 -0.04 0.00 -1.18 0.00 0.00 32.58 29.00 1bsh s HIS 5 CO 0.10 0.05 -0.05 -0.48 -0.65 0.00 0.00 174.74 173.70 1bsh s LEU 6 N 1.12 3.05 -0.38 8.88 0.05 -0.80 0.10 118.68 130.70 1bsh s LEU 6 Ca 0.09 -0.74 0.04 0.00 0.05 0.00 0.00 54.13 53.57 1bsh s LEU 6 Cb -0.14 -1.57 0.16 0.00 -2.05 0.00 0.00 46.19 42.60 1bsh s LEU 6 CO 0.05 0.01 0.42 -0.62 -0.55 0.00 0.00 176.35 175.67 1bsh s ASP 7 N -3.62 0.66 -0.18 1.48 2.15 -0.54 -2.18 116.67 114.44 1bsh s ASP 7 Ca 0.31 -1.45 -0.09 0.00 0.43 0.00 0.00 52.55 51.75 1bsh s ASP 7 Cb -0.06 0.82 -0.05 0.00 -0.30 0.00 0.00 42.92 43.33 1bsh s ASP 7 CO 0.19 -0.24 0.13 0.54 -0.17 0.00 0.00 175.17 175.62 1bsh s VAL 8 N 1.49 5.41 0.27 1.11 0.11 -0.27 -2.15 120.40 126.37 1bsh s VAL 8 Ca 0.17 0.19 -0.13 0.00 -2.93 0.00 0.00 61.98 59.28 1bsh s VAL 8 Cb -0.13 -3.44 0.00 0.00 -1.53 0.00 0.00 36.38 31.28 1bsh s VAL 8 CO -0.04 0.48 0.52 0.68 -3.33 0.00 0.00 175.10 173.42 1bsh s VAL 9 N 0.06 0.00 -0.40 2.04 -7.23 -1.14 -3.29 120.40 110.44 1bsh s VAL 9 Ca 0.09 -1.36 0.07 0.00 -1.81 0.00 0.00 61.98 58.97 1bsh s VAL 9 Cb -0.11 -2.28 0.23 0.00 0.56 0.00 0.00 36.38 34.78 1bsh s VAL 9 CO -0.01 0.00 0.49 -1.20 -0.31 0.00 0.00 175.10 174.08 1bsh n SER 10 N -0.57 -0.19 -2.47 4.85 7.64 -1.26 -1.48 113.62 120.14 1bsh n SER 10 Ca -0.02 -2.64 -0.05 0.00 1.01 0.00 0.00 58.87 57.17 1bsh n SER 10 Cb 0.61 -0.47 -0.04 0.00 -1.01 0.00 0.00 64.21 63.30 1bsh n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bsh n ALA 11 N 1.80 -3.50 -3.49 -0.43 0.00 -1.25 -4.44 120.51 109.20 1bsh n ALA 11 Ca 0.23 2.08 -0.22 0.00 0.00 0.00 0.00 53.44 55.52 1bsh n ALA 11 Cb 0.52 -4.12 0.06 0.00 0.00 0.00 0.00 19.45 15.91 1bsh n ALA 11 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bsh n GLU 12 N 1.59 -2.38 -3.82 0.00 -0.58 -1.26 -5.00 120.64 109.18 1bsh n GLU 12 Ca -0.35 0.67 -0.11 0.00 -0.42 0.00 0.00 57.16 56.95 1bsh n GLU 12 Cb 0.55 -5.08 -0.08 0.00 -0.57 0.00 0.00 31.44 26.26 1bsh n GLU 12 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1bsh s GLN 13 N -5.26 0.70 -0.44 3.49 2.00 -1.26 -5.11 119.66 113.79 1bsh s GLN 13 Ca 0.39 -0.56 0.05 0.00 -2.00 0.00 0.00 55.36 53.24 1bsh s GLN 13 Cb -0.09 0.30 0.19 0.00 0.80 0.00 0.00 33.01 34.21 1bsh s GLN 13 CO 0.80 -0.21 0.42 1.04 -0.50 0.00 0.00 175.29 176.84 1bsh n GLN 14 N 0.74 0.53 -0.03 1.67 1.13 -1.26 -4.49 117.38 115.68 1bsh n GLN 14 Ca -0.19 -3.34 -0.00 0.00 -1.94 0.00 0.00 57.00 51.53 1bsh n GLN 14 Cb 0.59 -1.61 -0.00 0.00 0.11 0.00 0.00 30.24 29.32 1bsh n GLN 14 CO 0.00 0.00 0.00 0.52 -1.44 0.00 0.00 177.06 176.14 1bsh h MET 15 N 5.11 -0.01 -3.77 -1.09 2.86 -1.96 -3.46 114.93 112.60 1bsh h MET 15 Ca 0.20 0.00 -0.43 0.00 -2.06 0.00 0.00 59.70 57.41 1bsh h MET 15 Cb 0.88 0.00 -0.37 0.00 0.06 0.00 0.00 31.60 32.17 1bsh h MET 15 CO 0.44 -0.01 -0.77 0.12 1.06 0.00 0.00 176.91 177.75 1bsh s PHE 16 N -1.40 0.69 -0.28 -0.22 2.19 -1.21 -5.02 117.98 112.74 1bsh s PHE 16 Ca -0.00 -0.19 0.01 0.00 0.33 0.00 0.00 56.93 57.08 1bsh s PHE 16 Cb 0.00 -0.78 0.16 0.00 -1.31 0.00 0.00 43.02 41.09 1bsh s PHE 16 CO 0.01 -0.31 0.42 -1.54 1.83 0.00 0.00 175.22 175.63 1bsh s SER 17 N 1.76 0.13 0.00 6.13 1.04 -1.25 -1.12 113.70 120.39 1bsh s SER 17 Ca 0.02 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.33 1bsh s SER 17 Cb -0.13 1.22 0.00 0.00 0.10 0.00 0.00 66.02 67.22 1bsh s SER 17 CO -0.04 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1bsh n GLY 18 N 5.36 -0.77 3.59 7.32 0.00 -0.92 -4.98 105.19 114.79 1bsh n GLY 18 Ca -0.00 -1.21 -0.34 0.00 0.00 0.00 0.00 46.02 44.47 1bsh n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bsh n LEU 19 N 0.00 2.86 -3.35 0.99 4.77 -1.26 -1.90 117.00 119.10 1bsh n LEU 19 Ca 0.00 0.55 0.02 0.00 -0.03 0.00 0.00 56.01 56.56 1bsh n LEU 19 Cb 0.00 -1.39 -0.03 0.00 -2.33 0.00 0.00 43.42 39.67 1bsh n LEU 19 CO 0.00 -2.33 0.52 0.54 -1.33 0.00 0.00 177.39 174.79 1bsh s VAL 20 N -2.10 -0.58 0.06 4.08 0.11 0.24 -4.16 120.40 118.05 1bsh s VAL 20 Ca 0.69 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.53 1bsh s VAL 20 Cb -0.30 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 33.43 1bsh s VAL 20 CO 0.55 0.00 1.47 -0.33 -3.33 0.00 0.00 175.10 173.46 1bsh h GLU 21 N 7.71 0.27 -1.35 1.54 5.08 -1.15 -1.28 114.58 125.39 1bsh h GLU 21 Ca -0.16 -0.09 0.13 0.00 -1.00 0.00 0.00 59.36 58.24 1bsh h GLU 21 Cb 1.13 -0.02 -0.27 0.00 0.50 0.00 0.00 28.75 30.08 1bsh h GLU 21 CO 0.07 0.51 0.68 0.21 -1.00 0.00 0.00 179.01 179.48 1bsh s LYS 22 N -4.92 0.33 0.00 2.33 2.20 -1.17 -4.48 119.74 114.04 1bsh s LYS 22 Ca -0.14 0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.70 1bsh s LYS 22 Cb 0.06 0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 1bsh s LYS 22 CO 0.72 -0.07 0.00 0.44 -0.36 0.00 0.00 175.35 176.08 1bsh n ILE 23 N 1.35 0.00 -3.55 5.43 -5.35 -1.07 -0.64 119.36 115.53 1bsh n ILE 23 Ca -0.09 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.40 1bsh n ILE 23 Cb 0.57 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.42 1bsh n ILE 23 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1bsh s GLN 24 N 4.05 0.20 -0.09 6.28 -1.52 0.63 -4.23 119.66 124.97 1bsh s GLN 24 Ca 0.00 0.38 0.03 0.00 -1.95 0.00 0.00 55.36 53.82 1bsh s GLN 24 Cb 0.00 0.10 -0.01 0.00 -0.22 0.00 0.00 33.01 32.88 1bsh s GLN 24 CO 0.00 -0.05 -0.18 0.08 -0.25 0.00 0.00 175.29 174.89 1bsh s VAL 25 N 1.48 2.64 -0.42 1.09 1.01 -1.10 -1.19 120.40 123.92 1bsh s VAL 25 Ca -0.07 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1bsh s VAL 25 Cb -0.03 -2.05 0.13 0.00 0.00 0.00 0.00 36.38 34.43 1bsh s VAL 25 CO -0.14 0.55 0.21 -0.89 0.00 0.00 0.00 175.10 174.84 1bsh s THR 26 N 0.01 1.42 0.29 3.92 2.01 -0.76 -3.54 115.64 118.99 1bsh s THR 26 Ca -0.06 -2.41 0.04 0.00 0.31 0.00 0.00 61.69 59.56 1bsh s THR 26 Cb -0.15 -2.01 -0.06 0.00 0.01 0.00 0.00 72.50 70.29 1bsh s THR 26 CO 0.05 -0.84 0.03 -0.83 -0.69 0.00 0.00 174.62 172.34 1bsh s GLY 27 N 0.53 1.87 0.22 4.40 0.00 -1.15 -2.61 107.32 110.57 1bsh s GLY 27 Ca 0.16 -1.94 -0.14 0.00 0.00 0.00 0.00 44.72 42.80 1bsh s GLY 27 CO -0.04 -1.75 1.60 0.23 0.00 0.00 0.00 173.10 173.15 1bsh h SER 28 N 2.26 -0.79 -3.55 1.64 0.87 -1.98 -3.27 113.55 108.73 1bsh h SER 28 Ca -0.40 0.22 -0.69 0.00 -1.23 0.00 0.00 61.79 59.69 1bsh h SER 28 Cb 1.24 0.48 -0.35 0.00 -0.44 0.00 0.00 62.40 63.32 1bsh h SER 28 CO 0.67 -0.25 -0.57 -0.70 -0.53 0.00 0.00 176.83 175.45 1bsh s GLU 29 N -6.18 1.94 0.00 2.24 -6.30 -1.26 -4.99 118.70 104.14 1bsh s GLU 29 Ca -0.14 -1.87 0.00 0.00 -2.50 0.00 0.00 54.97 50.46 1bsh s GLU 29 Cb 0.20 -3.53 0.00 0.00 0.00 0.00 0.00 34.13 30.80 1bsh s GLU 29 CO 0.73 -1.06 0.00 0.41 0.02 0.00 0.00 175.26 175.37 1bsh n GLY 30 N 4.48 4.69 0.97 -1.50 0.00 -1.23 -4.89 105.19 107.71 1bsh n GLY 30 Ca -0.01 -1.08 -0.02 0.00 0.00 0.00 0.00 46.02 44.91 1bsh n GLY 30 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bsh n GLU 31 N -1.62 0.00 -4.36 1.61 1.02 -1.25 -2.95 120.64 113.08 1bsh n GLU 31 Ca 0.00 -1.07 -0.27 0.00 -0.02 0.00 0.00 57.16 55.81 1bsh n GLU 31 Cb 0.00 0.14 -0.13 0.00 -0.02 0.00 0.00 31.44 31.43 1bsh n GLU 31 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1bsh s LEU 32 N 0.00 2.34 0.00 -4.62 1.43 -1.23 -4.70 118.68 111.90 1bsh s LEU 32 Ca 0.09 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 1bsh s LEU 32 Cb 0.10 -1.09 0.00 0.00 0.03 0.00 0.00 46.19 45.23 1bsh s LEU 32 CO -0.04 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.27 1bsh n GLY 33 N 0.82 0.31 3.24 -3.19 0.00 -1.26 -2.71 105.19 102.40 1bsh n GLY 33 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 1bsh n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bsh s ILE 34 N 2.43 0.07 0.27 -0.61 -1.09 -1.26 -4.78 121.20 116.23 1bsh s ILE 34 Ca 0.00 -0.60 -0.11 0.00 -2.23 0.00 0.00 60.65 57.71 1bsh s ILE 34 Cb 0.00 -0.79 -0.00 0.00 -1.58 0.00 0.00 42.46 40.09 1bsh s ILE 34 CO 0.00 -0.33 0.49 -0.72 -1.23 0.00 0.00 174.94 173.15 1bsh s TYR 35 N -1.99 0.46 -1.18 3.97 1.13 -1.26 -2.60 117.35 115.88 1bsh s TYR 35 Ca -0.09 -0.82 -0.21 0.00 -1.41 0.00 0.00 57.07 54.54 1bsh s TYR 35 Cb -0.03 0.18 -0.05 0.00 -1.10 0.00 0.00 41.96 40.96 1bsh s TYR 35 CO 0.00 -1.05 1.89 -0.35 -2.51 0.00 0.00 175.55 173.54 1bsh n PRO 36 N -0.42 2.10 0.00 -3.49 -0.04 -1.26 -2.94 135.00 128.95 1bsh n PRO 36 Ca -0.02 -2.63 0.00 0.00 -0.04 0.00 0.00 63.50 60.82 1bsh n PRO 36 Cb 0.62 -3.54 0.00 0.00 -0.04 0.00 0.00 33.50 30.53 1bsh n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bsh n GLY 37 N 5.43 0.12 1.39 0.55 0.00 -1.26 -4.97 105.19 106.45 1bsh n GLY 37 Ca 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.42 1bsh n GLY 37 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bsh n HIS 38 N 0.00 1.06 -1.46 1.61 -0.00 -1.15 -4.99 115.22 110.28 1bsh n HIS 38 Ca 0.00 -0.91 0.14 0.00 0.46 0.00 0.00 57.72 57.41 1bsh n HIS 38 Cb 0.00 -0.47 -0.08 0.00 -0.12 0.00 0.00 29.99 29.32 1bsh n HIS 38 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1bsh n ALA 39 N -0.06 -3.47 -2.41 1.57 0.00 -1.26 -4.36 120.51 110.53 1bsh n ALA 39 Ca 0.20 0.85 -0.41 0.00 0.00 0.00 0.00 53.44 54.08 1bsh n ALA 39 Cb 0.89 -1.56 -0.01 0.00 0.00 0.00 0.00 19.45 18.77 1bsh n ALA 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bsh n PRO 40 N -4.06 2.97 -3.05 0.00 -0.04 -1.26 -4.88 135.00 124.68 1bsh n PRO 40 Ca -0.08 -3.10 -0.18 0.00 -0.04 0.00 0.00 63.50 60.10 1bsh n PRO 40 Cb 0.64 -3.49 0.03 0.00 -0.04 0.00 0.00 33.50 30.64 1bsh n PRO 40 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bsh s LEU 41 N 4.65 3.42 -0.36 1.53 1.43 -1.26 -4.97 118.68 123.12 1bsh s LEU 41 Ca 0.55 -0.61 0.05 0.00 -1.03 0.00 0.00 54.13 53.09 1bsh s LEU 41 Cb 0.05 -2.22 0.28 0.00 0.03 0.00 0.00 46.19 44.33 1bsh s LEU 41 CO 0.07 -0.99 1.27 0.00 0.23 0.00 0.00 176.35 176.93 1bsh n LEU 42 N -1.99 -1.54 0.00 1.79 -0.00 -1.26 -2.91 117.00 111.09 1bsh n LEU 42 Ca 0.11 -2.45 0.00 0.00 -0.00 0.00 0.00 56.01 53.67 1bsh n LEU 42 Cb 0.60 0.86 0.00 0.00 -0.00 0.00 0.00 43.42 44.88 1bsh n LEU 42 CO 0.39 1.66 0.00 0.35 -0.00 0.00 0.00 177.39 179.79 1bsh n THR 43 N 0.16 0.00 -3.78 1.47 -2.24 -1.25 -4.59 114.28 104.05 1bsh n THR 43 Ca -0.07 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.51 1bsh n THR 43 Cb 0.73 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 1bsh n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bsh s ALA 44 N -2.27 3.91 -1.10 6.98 0.00 -1.26 0.36 121.76 128.38 1bsh s ALA 44 Ca 0.00 -1.56 0.13 0.00 0.00 0.00 0.00 51.96 50.53 1bsh s ALA 44 Cb 0.00 -1.33 0.36 0.00 0.00 0.00 0.00 23.12 22.14 1bsh s ALA 44 CO 0.00 0.04 1.29 -0.89 0.00 0.00 0.00 175.76 176.20 1bsh n ILE 45 N -1.41 0.98 -1.30 0.00 5.41 -1.07 -4.85 119.36 117.12 1bsh n ILE 45 Ca -0.03 -0.99 0.12 0.00 1.00 0.00 0.00 62.75 62.85 1bsh n ILE 45 Cb 0.59 0.51 -0.06 0.00 -0.71 0.00 0.00 39.64 39.97 1bsh n ILE 45 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1bsh n LYS 46 N 0.69 -2.79 -1.08 0.38 4.76 -1.26 -4.90 118.16 113.96 1bsh n LYS 46 Ca 0.14 2.27 -0.17 0.00 -2.87 0.00 0.00 58.31 57.67 1bsh n LYS 46 Cb 0.46 -3.26 0.12 0.00 -1.84 0.00 0.00 35.03 30.50 1bsh n LYS 46 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1bsh n PRO 47 N -3.84 -0.80 0.00 1.97 -0.04 0.86 -4.58 135.00 128.57 1bsh n PRO 47 Ca -0.06 -1.18 0.00 0.00 -0.04 0.00 0.00 63.50 62.21 1bsh n PRO 47 Cb 0.52 -0.80 0.00 0.00 -0.04 0.00 0.00 33.50 33.19 1bsh n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bsh n GLY 48 N -0.08 0.04 4.00 0.55 0.00 -1.01 -3.64 105.19 105.06 1bsh n GLY 48 Ca 0.10 -2.24 -0.22 0.00 0.00 0.00 0.00 46.02 43.66 1bsh n GLY 48 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1bsh s MET 49 N 0.00 2.24 -0.15 1.61 0.23 -1.07 -2.52 119.30 119.64 1bsh s MET 49 Ca 0.00 -1.80 -0.13 0.00 -1.03 0.00 0.00 55.69 52.73 1bsh s MET 49 Cb 0.00 -2.47 0.04 0.00 -1.53 0.00 0.00 34.83 30.87 1bsh s MET 49 CO 0.00 -0.85 0.39 -1.50 -2.03 0.00 0.00 175.02 171.03 1bsh s ILE 50 N -2.73 -0.00 0.30 3.16 1.10 -1.10 -1.83 121.20 120.09 1bsh s ILE 50 Ca 0.54 0.01 0.11 0.00 -0.51 0.00 0.00 60.65 60.80 1bsh s ILE 50 Cb -0.04 -0.55 -0.05 0.00 0.15 0.00 0.00 42.46 41.96 1bsh s ILE 50 CO 0.34 0.00 -0.16 -0.60 -2.11 0.00 0.00 174.94 172.41 1bsh s ARG 51 N 0.34 1.74 0.24 3.50 3.52 -0.33 -0.11 118.95 127.85 1bsh s ARG 51 Ca -0.01 -1.80 -0.19 0.00 -0.13 0.00 0.00 55.73 53.60 1bsh s ARG 51 Cb -0.03 -1.77 0.02 0.00 -1.56 0.00 0.00 34.95 31.61 1bsh s ARG 51 CO -0.01 0.28 0.61 0.42 -0.81 0.00 0.00 175.30 175.79 1bsh s ILE 52 N -2.53 0.01 -0.22 4.11 1.01 0.18 0.23 121.20 123.99 1bsh s ILE 52 Ca 0.31 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.97 1bsh s ILE 52 Cb -0.03 -1.85 0.09 0.00 0.01 0.00 0.00 42.46 40.67 1bsh s ILE 52 CO 0.16 -0.03 0.17 -0.69 0.00 0.00 0.00 174.94 174.54 1bsh s VAL 53 N -3.91 -0.21 0.55 2.92 1.01 0.19 -1.88 120.40 119.07 1bsh s VAL 53 Ca 0.12 -0.29 -0.19 0.00 0.00 0.00 0.00 61.98 61.62 1bsh s VAL 53 Cb -0.03 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 1bsh s VAL 53 CO 0.03 -0.36 1.15 -0.75 0.00 0.00 0.00 175.10 175.18 1bsh s LYS 54 N 2.22 3.28 0.13 2.72 2.20 -1.26 -0.73 119.74 128.31 1bsh s LYS 54 Ca 0.06 1.67 -0.23 0.00 -0.36 0.00 0.00 55.97 57.11 1bsh s LYS 54 Cb -0.16 -2.00 -0.03 0.00 -1.51 0.00 0.00 37.83 34.14 1bsh s LYS 54 CO -0.18 -0.92 1.66 0.37 -0.36 0.00 0.00 175.35 175.92 1bsh h GLN 55 N 1.15 -0.24 -0.48 4.03 4.15 -1.85 -2.65 115.11 119.23 1bsh h GLN 55 Ca -0.50 0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1bsh h GLN 55 Cb 1.27 0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.02 1bsh h GLN 55 CO 0.57 -0.16 0.00 0.72 -1.93 0.00 0.00 178.83 178.02 1bsh n HIS 56 N -5.33 0.63 -3.76 3.99 8.25 -1.26 -4.94 115.22 112.81 1bsh n HIS 56 Ca -0.03 -0.43 -0.25 0.00 -0.26 0.00 0.00 57.72 56.74 1bsh n HIS 56 Cb 0.24 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.34 1bsh n HIS 56 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1bsh s GLY 57 N -1.06 2.27 0.00 -1.41 0.00 -1.00 -5.10 107.32 101.03 1bsh s GLY 57 Ca 0.34 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.64 1bsh s GLY 57 CO 0.24 -1.89 0.00 1.42 0.00 0.00 0.00 173.10 172.87 1bsh n HIS 58 N -1.81 0.00 -3.65 1.90 8.25 -1.26 -4.15 115.22 114.49 1bsh n HIS 58 Ca 0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.45 1bsh n HIS 58 Cb 0.64 -0.11 -0.07 0.00 1.12 0.00 0.00 29.99 31.57 1bsh n HIS 58 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1bsh s GLU 59 N -0.29 0.02 0.06 -0.41 -1.05 -1.26 -4.00 118.70 111.76 1bsh s GLU 59 Ca 0.00 0.02 0.00 0.00 -0.15 0.00 0.00 54.97 54.84 1bsh s GLU 59 Cb 0.00 0.01 -0.03 0.00 -0.44 0.00 0.00 34.13 33.66 1bsh s GLU 59 CO 0.00 -0.00 -0.05 -1.83 0.95 0.00 0.00 175.26 174.33 1bsh s GLU 60 N 0.01 0.61 -0.09 -4.83 1.03 -0.79 -4.94 118.70 109.71 1bsh s GLU 60 Ca 0.08 -1.08 0.01 0.00 0.03 0.00 0.00 54.97 54.01 1bsh s GLU 60 Cb -0.05 -0.00 0.02 0.00 -0.80 0.00 0.00 34.13 33.30 1bsh s GLU 60 CO -0.17 -0.05 -0.11 -0.59 -1.33 0.00 0.00 175.26 173.02 1bsh s PHE 61 N -3.03 1.52 0.00 4.83 -0.12 -1.26 0.47 117.98 120.39 1bsh s PHE 61 Ca 0.02 -0.66 0.00 0.00 -0.05 0.00 0.00 56.93 56.24 1bsh s PHE 61 Cb 0.01 -1.17 0.00 0.00 -0.63 0.00 0.00 43.02 41.24 1bsh s PHE 61 CO -0.05 -0.39 0.00 -0.89 -0.05 0.00 0.00 175.22 173.84 1bsh n ILE 62 N 4.26 0.00 -3.65 -4.49 5.41 0.84 -3.33 119.36 118.40 1bsh n ILE 62 Ca -0.19 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.56 1bsh n ILE 62 Cb 0.51 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.38 1bsh n ILE 62 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1bsh s TYR 63 N 3.61 -0.23 0.06 1.39 6.14 0.04 -2.70 117.35 125.67 1bsh s TYR 63 Ca 0.00 0.47 0.01 0.00 0.64 0.00 0.00 57.07 58.19 1bsh s TYR 63 Cb 0.00 0.22 -0.01 0.00 0.42 0.00 0.00 41.96 42.59 1bsh s TYR 63 CO 0.00 -0.11 0.05 1.28 0.64 0.00 0.00 175.55 177.41 1bsh n LEU 64 N 2.93 0.00 0.08 6.97 4.77 -1.05 -1.55 117.00 129.15 1bsh n LEU 64 Ca -0.16 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 1bsh n LEU 64 Cb 0.57 0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.96 1bsh n LEU 64 CO 0.04 -0.10 0.00 -1.20 -1.33 0.00 0.00 177.39 174.80 1bsh n SER 65 N -2.68 -0.09 -3.93 -1.43 7.64 -1.26 -2.40 113.62 109.48 1bsh n SER 65 Ca 0.01 0.26 -0.17 0.00 1.01 0.00 0.00 58.87 59.99 1bsh n SER 65 Cb 0.11 0.22 -0.15 0.00 -1.01 0.00 0.00 64.21 63.38 1bsh n SER 65 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1bsh s GLY 66 N -4.51 0.30 0.00 0.23 0.00 -1.26 -0.10 107.32 101.98 1bsh s GLY 66 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.58 1bsh s GLY 66 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 173.10 173.75 1bsh n GLY 67 N 3.33 0.61 2.51 0.20 0.00 -1.26 -3.55 105.19 107.01 1bsh n GLY 67 Ca -0.17 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 1bsh n GLY 67 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1bsh n ILE 68 N -0.08 0.00 -4.04 -0.61 -6.64 -0.86 -2.59 119.36 104.54 1bsh n ILE 68 Ca 0.00 -1.27 -0.10 0.00 -1.77 0.00 0.00 62.75 59.61 1bsh n ILE 68 Cb 0.00 -0.61 -0.07 0.00 -1.44 0.00 0.00 39.64 37.53 1bsh n ILE 68 CO 0.00 0.00 0.00 -1.48 -1.77 0.00 0.00 176.55 173.30 1bsh s LEU 69 N 0.00 0.58 -0.30 7.28 0.05 0.16 -2.79 118.68 123.66 1bsh s LEU 69 Ca 0.36 -1.02 -0.06 0.00 0.05 0.00 0.00 54.13 53.46 1bsh s LEU 69 Cb -0.03 1.38 0.18 0.00 -2.05 0.00 0.00 46.19 45.67 1bsh s LEU 69 CO 0.23 -1.04 0.73 -0.70 -0.55 0.00 0.00 176.35 175.02 1bsh s GLU 70 N -4.04 0.47 -0.03 1.48 2.56 0.36 -3.97 118.70 115.53 1bsh s GLU 70 Ca 0.26 0.88 -0.04 0.00 0.00 0.00 0.00 54.97 56.06 1bsh s GLU 70 Cb 0.02 0.50 -0.04 0.00 2.00 0.00 0.00 34.13 36.60 1bsh s GLU 70 CO 0.09 -0.45 0.19 0.54 -0.56 0.00 0.00 175.26 175.07 1bsh s VAL 71 N 2.86 5.43 0.52 3.70 0.11 -1.15 -0.87 120.40 131.00 1bsh s VAL 71 Ca 0.12 -0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.17 1bsh s VAL 71 Cb -0.13 -3.52 -0.00 0.00 -1.53 0.00 0.00 36.38 31.20 1bsh s VAL 71 CO -0.18 0.39 0.10 -1.10 -3.33 0.00 0.00 175.10 170.98 1bsh s GLN 72 N -1.72 2.21 -1.25 1.54 1.11 -0.22 -4.72 119.66 116.62 1bsh s GLN 72 Ca 0.25 -2.30 -0.19 0.00 0.01 0.00 0.00 55.36 53.12 1bsh s GLN 72 Cb -0.13 -1.67 0.05 0.00 -1.01 0.00 0.00 33.01 30.25 1bsh s GLN 72 CO 0.15 -0.42 1.72 -1.25 0.01 0.00 0.00 175.29 175.50 1bsh s PRO 73 N -3.98 3.80 0.00 2.91 0.04 -1.26 -3.36 135.00 133.15 1bsh s PRO 73 Ca 0.13 -1.79 0.00 0.00 0.04 0.00 0.00 61.00 59.38 1bsh s PRO 73 Cb 0.01 -5.48 0.00 0.00 0.04 0.00 0.00 34.50 29.06 1bsh s PRO 73 CO 0.08 -2.41 0.00 0.41 0.04 0.00 0.00 177.00 175.12 1bsh n GLY 74 N 5.66 1.57 3.61 0.56 0.00 -1.26 -5.09 105.19 110.25 1bsh n GLY 74 Ca 0.46 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.37 1bsh n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bsh s ASN 75 N -1.08 -0.81 0.41 1.61 2.20 -1.21 -1.74 114.94 114.31 1bsh s ASN 75 Ca 0.00 1.44 0.07 0.00 -0.94 0.00 0.00 52.86 53.42 1bsh s ASN 75 Cb 0.00 1.39 0.01 0.00 -2.00 0.00 0.00 41.25 40.65 1bsh s ASN 75 CO 0.00 -0.24 0.57 0.54 -2.94 0.00 0.00 177.10 175.03 1bsh s VAL 76 N 0.91 3.28 -0.28 3.54 0.11 0.12 -1.06 120.40 127.01 1bsh s VAL 76 Ca -0.04 -0.95 -0.23 0.00 -2.93 0.00 0.00 61.98 57.83 1bsh s VAL 76 Cb -0.05 -3.12 0.10 0.00 -1.53 0.00 0.00 36.38 31.78 1bsh s VAL 76 CO -0.08 -0.05 0.87 -0.89 -3.33 0.00 0.00 175.10 171.62 1bsh s THR 77 N -2.35 0.00 0.13 5.04 2.01 -0.05 -1.47 115.64 118.95 1bsh s THR 77 Ca 0.52 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.51 1bsh s THR 77 Cb -0.10 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 1bsh s THR 77 CO 0.33 0.00 0.08 0.68 -0.69 0.00 0.00 174.62 175.02 1bsh s VAL 78 N 0.58 0.10 0.06 3.82 -7.23 -0.91 -0.49 120.40 116.33 1bsh s VAL 78 Ca -0.01 -1.85 0.05 0.00 -1.81 0.00 0.00 61.98 58.35 1bsh s VAL 78 Cb -0.05 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 1bsh s VAL 78 CO -0.06 -0.45 -0.13 -0.76 -0.31 0.00 0.00 175.10 173.39 1bsh s LEU 79 N -3.04 2.26 0.32 1.32 1.43 -1.12 -2.87 118.68 116.98 1bsh s LEU 79 Ca 0.23 -0.58 -0.04 0.00 -1.03 0.00 0.00 54.13 52.71 1bsh s LEU 79 Cb 0.07 -0.46 -0.00 0.00 0.03 0.00 0.00 46.19 45.83 1bsh s LEU 79 CO 0.02 -0.09 0.46 0.00 0.23 0.00 0.00 176.35 176.97 1bsh s ALA 80 N -1.24 0.63 -0.20 4.21 0.00 -0.55 -2.03 121.76 122.58 1bsh s ALA 80 Ca -0.03 -1.43 -0.16 0.00 0.00 0.00 0.00 51.96 50.35 1bsh s ALA 80 Cb -0.10 1.15 -0.08 0.00 0.00 0.00 0.00 23.12 24.09 1bsh s ALA 80 CO 0.02 -0.79 -0.26 -0.25 0.00 0.00 0.00 175.76 174.48 1bsh n ASP 81 N -1.19 1.91 -4.51 0.00 8.00 -1.23 -3.76 116.55 115.77 1bsh n ASP 81 Ca 0.00 0.41 -0.36 0.00 0.71 0.00 0.00 54.79 55.55 1bsh n ASP 81 Cb 0.62 -0.81 -0.12 0.00 -0.02 0.00 0.00 41.12 40.79 1bsh n ASP 81 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1bsh s THR 82 N -2.62 4.51 -0.36 -3.53 2.01 -1.26 -4.83 115.64 109.56 1bsh s THR 82 Ca -0.28 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 61.60 1bsh s THR 82 Cb 0.06 -3.09 0.12 0.00 0.01 0.00 0.00 72.50 69.61 1bsh s THR 82 CO 0.42 0.37 0.18 0.00 -0.69 0.00 0.00 174.62 174.90 1bsh s ALA 83 N 1.24 1.50 0.08 7.40 0.00 -1.26 -3.98 121.76 126.73 1bsh s ALA 83 Ca 0.05 -1.98 0.01 0.00 0.00 0.00 0.00 51.96 50.04 1bsh s ALA 83 Cb -0.14 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 1bsh s ALA 83 CO 0.04 -1.92 0.18 0.42 0.00 0.00 0.00 175.76 174.48 1bsh s ILE 84 N 1.09 5.13 0.22 0.00 1.01 -0.60 -4.94 121.20 123.11 1bsh s ILE 84 Ca 0.15 -0.54 0.11 0.00 0.00 0.00 0.00 60.65 60.37 1bsh s ILE 84 Cb -0.21 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 1bsh s ILE 84 CO -0.11 0.10 -0.22 -0.60 0.00 0.00 0.00 174.94 174.11 1bsh s ARG 85 N -2.58 1.59 -0.93 2.79 3.52 -1.26 -0.78 118.95 121.30 1bsh s ARG 85 Ca 0.33 -1.58 -0.19 0.00 -0.13 0.00 0.00 55.73 54.16 1bsh s ARG 85 Cb -0.12 -1.84 -0.26 0.00 -1.56 0.00 0.00 34.95 31.17 1bsh s ARG 85 CO 0.26 0.38 2.36 0.41 -0.81 0.00 0.00 175.30 177.90 1bsh n GLY 86 N 0.01 -0.39 0.00 8.12 0.00 -1.21 -2.81 105.19 108.90 1bsh n GLY 86 Ca -0.10 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1bsh n GLY 86 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bsh n GLN 87 N 7.07 0.00 -4.27 1.61 6.02 -1.26 -4.85 117.38 121.70 1bsh n GLN 87 Ca 0.62 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 57.29 1bsh n GLN 87 Cb 0.18 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.36 1bsh n GLN 87 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1bsh n ASP 88 N 0.00 0.54 0.00 1.08 5.68 -1.12 -4.12 116.55 118.60 1bsh n ASP 88 Ca 0.00 -1.26 0.00 0.00 -0.50 0.00 0.00 54.79 53.03 1bsh n ASP 88 Cb 0.00 -1.71 0.00 0.00 -1.14 0.00 0.00 41.12 38.27 1bsh n ASP 88 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1bsh n LEU 89 N -4.60 0.00 -4.32 -2.12 4.77 -1.26 -4.54 117.00 104.92 1bsh n LEU 89 Ca -0.31 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.33 1bsh n LEU 89 Cb 0.69 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.88 1bsh n LEU 89 CO 0.84 0.00 -0.37 -0.90 -1.33 0.00 0.00 177.39 175.63 1bsh n ASP 90 N 2.24 -2.95 0.10 -1.43 5.75 -1.26 -4.94 116.55 114.06 1bsh n ASP 90 Ca 0.00 0.31 0.00 0.00 -0.01 0.00 0.00 54.79 55.09 1bsh n ASP 90 Cb 0.00 -1.10 0.00 0.00 -1.03 0.00 0.00 41.12 38.99 1bsh n ASP 90 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1bsh n GLU 91 N -0.69 0.00 0.08 0.11 1.02 -1.26 -4.86 120.64 115.05 1bsh n GLU 91 Ca 0.05 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.32 1bsh n GLU 91 Cb 0.54 0.00 0.35 0.00 -0.02 0.00 0.00 31.44 32.31 1bsh n GLU 91 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bsh n ALA 92 N -3.17 2.50 0.80 0.62 0.00 -1.26 -3.19 120.51 116.81 1bsh n ALA 92 Ca 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.46 1bsh n ALA 92 Cb 0.00 -1.38 0.50 0.00 0.00 0.00 0.00 19.45 18.58 1bsh n ALA 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1bsh n ARG 93 N -2.15 0.03 0.09 0.00 0.63 -1.26 -2.65 116.66 111.36 1bsh n ARG 93 Ca 0.05 0.11 0.08 0.00 -0.92 0.00 0.00 57.85 57.17 1bsh n ARG 93 Cb 0.42 -1.54 -0.01 0.00 0.45 0.00 0.00 32.46 31.79 1bsh n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1bsh h ALA 94 N 2.78 0.58 0.00 5.13 0.00 -1.89 -3.31 119.26 122.56 1bsh h ALA 94 Ca 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1bsh h ALA 94 Cb 0.44 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1bsh h ALA 94 CO 0.00 0.27 -0.25 0.52 0.00 0.00 0.00 179.25 179.79 1bsh h MET 95 N 0.00 0.00 0.00 0.00 2.86 -1.66 -1.38 114.93 114.75 1bsh h MET 95 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1bsh h MET 95 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 1bsh h MET 95 CO 0.01 0.25 0.00 1.05 1.06 0.00 0.00 176.91 179.28 1bsh h GLU 96 N 0.00 0.00 -0.22 1.72 -0.00 -1.69 -3.13 114.58 111.26 1bsh h GLU 96 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 59.36 59.30 1bsh h GLU 96 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.25 1bsh h GLU 96 CO 0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 179.01 178.96 1bsh h ALA 97 N 2.33 0.30 0.00 1.06 0.00 -1.42 -1.40 119.26 120.13 1bsh h ALA 97 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1bsh h ALA 97 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1bsh h ALA 97 CO 0.00 0.12 0.00 -0.22 0.00 0.00 0.00 179.25 179.15 1bsh h LYS 98 N 0.15 0.00 0.13 0.00 3.11 -1.65 -0.38 116.57 117.94 1bsh h LYS 98 Ca 0.05 0.00 -0.36 0.00 -2.81 0.00 0.00 60.65 57.53 1bsh h LYS 98 Cb 0.57 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.78 1bsh h LYS 98 CO 0.03 0.00 -1.97 0.00 -2.81 0.00 0.00 179.45 174.70 1bsh h ARG 99 N 0.00 0.27 0.00 1.90 3.08 -1.53 -3.31 114.38 114.80 1bsh h ARG 99 Ca 0.00 -0.47 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1bsh h ARG 99 Cb 0.05 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1bsh h ARG 99 CO 0.00 1.22 0.00 0.36 -1.07 0.00 0.00 179.97 180.48 1bsh n LYS 100 N -3.51 0.11 0.08 0.04 2.85 -0.58 -2.44 118.16 114.71 1bsh n LYS 100 Ca -0.31 0.20 0.12 0.00 -1.05 0.00 0.00 58.31 57.27 1bsh n LYS 100 Cb 1.04 -1.66 0.20 0.00 -0.65 0.00 0.00 35.03 33.96 1bsh n LYS 100 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1bsh h ALA 101 N 2.61 0.66 -0.15 0.58 0.00 -1.21 -3.34 119.26 118.41 1bsh h ALA 101 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1bsh h ALA 101 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1bsh h ALA 101 CO 0.00 0.00 -0.10 1.49 0.00 0.00 0.00 179.25 180.64 1bsh h GLU 102 N 0.00 0.33 -0.34 0.00 4.22 -1.56 -2.50 114.58 114.72 1bsh h GLU 102 Ca 0.00 -0.15 0.10 0.00 0.08 0.00 0.00 59.36 59.39 1bsh h GLU 102 Cb 0.77 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1bsh h GLU 102 CO 0.00 0.67 0.60 0.93 -2.18 0.00 0.00 179.01 179.03 1bsh h GLU 103 N -0.02 0.00 0.12 1.92 4.39 -1.70 0.61 114.58 119.90 1bsh h GLU 103 Ca 0.03 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.40 1bsh h GLU 103 Cb 0.59 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1bsh h GLU 103 CO 0.03 0.00 -1.71 0.45 -1.16 0.00 0.00 179.01 176.62 1bsh h HIS 104 N 0.00 0.46 0.00 4.33 3.86 -1.65 -3.12 115.15 119.03 1bsh h HIS 104 Ca 0.16 -0.33 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1bsh h HIS 104 Cb 1.36 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.81 1bsh h HIS 104 CO 0.00 1.49 0.00 -0.89 0.86 0.00 0.00 177.93 179.39 1bsh n ILE 105 N -3.44 0.06 0.32 2.45 5.41 0.19 -2.96 119.36 121.39 1bsh n ILE 105 Ca -0.22 0.02 0.10 0.00 1.00 0.00 0.00 62.75 63.65 1bsh n ILE 105 Cb 1.05 -0.54 -0.14 0.00 -0.71 0.00 0.00 39.64 39.30 1bsh n ILE 105 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1bsh n SER 106 N -1.33 0.50 -4.73 4.38 3.41 0.44 -4.91 113.62 111.39 1bsh n SER 106 Ca 0.12 -0.34 -0.38 0.00 -0.26 0.00 0.00 58.87 58.02 1bsh n SER 106 Cb 0.25 1.62 -0.06 0.00 -0.26 0.00 0.00 64.21 65.76 1bsh n SER 106 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1bsh s SER 107 N -3.87 6.73 -0.17 4.04 0.15 -1.16 -5.06 113.70 114.36 1bsh s SER 107 Ca -0.02 0.87 -0.07 0.00 0.70 0.00 0.00 55.95 57.43 1bsh s SER 107 Cb 0.14 -2.30 -0.04 0.00 -1.71 0.00 0.00 66.02 62.11 1bsh s SER 107 CO 0.85 0.01 0.05 -0.55 1.20 0.00 0.00 173.24 174.81 1bsh s SER 108 N 0.51 5.59 0.00 5.45 0.15 -1.26 -4.32 113.70 119.82 1bsh s SER 108 Ca 0.27 0.10 0.03 0.00 0.70 0.00 0.00 55.95 57.05 1bsh s SER 108 Cb -0.16 -1.92 0.05 0.00 -1.71 0.00 0.00 66.02 62.29 1bsh s SER 108 CO 0.11 0.21 0.88 1.41 1.20 0.00 0.00 173.24 177.06 1bsh n HIS 109 N 3.31 0.00 -1.08 3.44 8.25 -1.26 -5.04 115.22 122.84 1bsh n HIS 109 Ca -0.17 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.20 1bsh n HIS 109 Cb 0.52 0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.69 1bsh n HIS 109 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bsh n GLY 110 N 0.06 -1.74 0.07 -1.41 0.00 -1.26 -4.75 105.19 96.16 1bsh n GLY 110 Ca -0.01 -1.43 -0.06 0.00 0.00 0.00 0.00 46.02 44.53 1bsh n GLY 110 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1bsh h ASP 111 N 0.00 0.00 -0.02 1.61 3.04 -2.03 -3.31 116.42 115.71 1bsh h ASP 111 Ca 0.00 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1bsh h ASP 111 Cb 0.00 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1bsh h ASP 111 CO 0.00 0.94 -0.13 1.33 -2.04 0.00 0.00 179.24 179.33 1bsh n VAL 112 N -3.30 2.01 0.00 4.15 0.24 -1.26 -4.63 118.33 115.54 1bsh n VAL 112 Ca -0.02 -2.52 0.00 0.00 -2.04 0.00 0.00 64.34 59.76 1bsh n VAL 112 Cb 0.93 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 33.05 1bsh n VAL 112 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bsh n ASP 113 N -1.30 0.00 0.27 -1.34 2.03 -1.25 -2.78 116.55 112.18 1bsh n ASP 113 Ca 0.18 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.67 1bsh n ASP 113 Cb 0.68 0.00 0.86 0.00 -0.72 0.00 0.00 41.12 41.94 1bsh n ASP 113 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 1bsh h TYR 114 N 0.00 0.00 -0.93 -0.67 -0.00 -1.81 -2.00 116.97 111.57 1bsh h TYR 114 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 58.73 58.76 1bsh h TYR 114 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 36.68 1bsh h TYR 114 CO 0.00 0.00 0.61 0.00 -0.00 0.00 0.00 178.16 178.77 1bsh h ALA 115 N 2.03 1.40 0.00 0.10 0.00 -1.82 0.64 119.26 121.61 1bsh h ALA 115 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1bsh h ALA 115 Cb 0.25 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1bsh h ALA 115 CO 0.00 0.51 0.00 1.96 0.00 0.00 0.00 179.25 181.72 1bsh h GLN 116 N 1.17 0.00 0.00 0.00 1.08 -1.18 -2.95 115.11 113.24 1bsh h GLN 116 Ca 0.36 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.56 1bsh h GLN 116 Cb -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1bsh h GLN 116 CO -0.11 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.77 1bsh h ALA 117 N 2.21 1.00 0.00 3.87 0.00 -0.89 -3.19 119.26 122.27 1bsh h ALA 117 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1bsh h ALA 117 Cb 0.75 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1bsh h ALA 117 CO 0.00 0.00 -0.09 1.03 0.00 0.00 0.00 179.25 180.19 1bsh h SER 118 N 0.00 0.00 0.96 0.00 0.87 -1.26 -1.29 113.55 112.84 1bsh h SER 118 Ca 0.00 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.43 1bsh h SER 118 Cb 0.86 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.80 1bsh h SER 118 CO 0.00 0.09 -0.63 0.00 -0.53 0.00 0.00 176.83 175.76 1bsh h ALA 119 N 1.91 0.76 -0.00 6.23 0.00 -1.75 -2.92 119.26 123.49 1bsh h ALA 119 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1bsh h ALA 119 Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1bsh h ALA 119 CO 0.01 0.78 -0.23 0.39 0.00 0.00 0.00 179.25 180.21 1bsh n GLU 120 N -3.49 0.24 -0.08 0.00 -0.58 -0.54 -3.34 120.64 112.85 1bsh n GLU 120 Ca 0.00 -0.09 -0.08 0.00 -0.42 0.00 0.00 57.16 56.56 1bsh n GLU 120 Cb 0.70 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 30.03 1bsh n GLU 120 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1bsh n LEU 121 N -1.30 1.82 0.31 -4.62 7.94 -0.87 -3.25 117.00 117.04 1bsh n LEU 121 Ca 0.09 0.59 0.19 0.00 -1.11 0.00 0.00 56.01 55.76 1bsh n LEU 121 Cb 0.32 -0.89 1.01 0.00 0.53 0.00 0.00 43.42 44.39 1bsh n LEU 121 CO 0.29 -0.31 1.12 0.00 -1.11 0.00 0.00 177.39 177.37 1bsh h ALA 122 N -0.90 1.20 0.00 1.96 0.00 -1.68 -0.85 119.26 118.98 1bsh h ALA 122 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1bsh h ALA 122 Cb 0.69 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1bsh h ALA 122 CO -0.05 0.03 -0.69 1.57 0.00 0.00 0.00 179.25 180.11 1bsh h LYS 123 N 0.00 0.00 0.11 0.00 5.09 -1.72 -3.30 116.57 116.75 1bsh h LYS 123 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 60.65 60.47 1bsh h LYS 123 Cb 0.10 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.43 1bsh h LYS 123 CO 0.00 0.00 -1.28 0.00 -2.09 0.00 0.00 179.45 176.09 1bsh h ALA 124 N 2.05 0.15 0.00 0.07 0.00 -1.14 -3.15 119.26 117.24 1bsh h ALA 124 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1bsh h ALA 124 Cb 0.98 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1bsh h ALA 124 CO 0.00 1.03 0.00 -0.89 0.00 0.00 0.00 179.25 179.39 1bsh n ILE 125 N -3.50 0.25 0.05 0.00 -0.00 -1.04 -3.16 119.36 111.97 1bsh n ILE 125 Ca -0.09 0.06 0.00 0.00 -0.00 0.00 0.00 62.75 62.72 1bsh n ILE 125 Cb 1.02 -0.67 0.32 0.00 -0.00 0.00 0.00 39.64 40.31 1bsh n ILE 125 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1bsh h ALA 126 N 3.11 1.37 0.00 -1.39 0.00 -1.62 -1.68 119.26 119.04 1bsh h ALA 126 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1bsh h ALA 126 Cb 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1bsh h ALA 126 CO 0.00 0.43 -0.10 0.94 0.00 0.00 0.00 179.25 180.52 1bsh n GLN 127 N -4.24 0.24 0.15 0.00 0.00 -1.19 -3.28 117.38 109.05 1bsh n GLN 127 Ca 0.00 0.17 0.03 0.00 -0.00 0.00 0.00 57.00 57.21 1bsh n GLN 127 Cb 0.29 -1.76 0.08 0.00 0.00 0.00 0.00 30.24 28.85 1bsh n GLN 127 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1bsh h LEU 128 N 0.00 0.00 -0.05 1.69 5.85 -1.46 -2.75 115.31 118.59 1bsh h LEU 128 Ca 0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 1bsh h LEU 128 Cb 0.71 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.75 1bsh h LEU 128 CO 0.00 0.47 -0.37 0.03 -0.34 0.00 0.00 178.44 178.23 1bsh h ARG 129 N 0.00 0.33 -0.07 1.25 2.47 -1.52 -1.79 114.38 115.05 1bsh h ARG 129 Ca -0.00 -0.30 -0.12 0.00 -1.26 0.00 0.00 59.98 58.30 1bsh h ARG 129 Cb 1.30 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.67 1bsh h ARG 129 CO 0.06 0.96 -0.51 -0.39 0.56 0.00 0.00 179.97 180.65 1bsh h VAL 130 N -0.19 1.35 0.00 2.04 -1.51 -1.66 -2.93 116.25 113.34 1bsh h VAL 130 Ca -0.03 -1.75 -0.10 0.00 -1.23 0.00 0.00 66.70 63.58 1bsh h VAL 130 Cb 1.05 1.86 -0.01 0.00 -2.13 0.00 0.00 31.29 32.06 1bsh h VAL 130 CO 0.08 0.52 -0.49 -0.29 -1.23 0.00 0.00 177.57 176.15 1bsh h ILE 131 N 0.16 0.90 0.00 7.19 2.10 -1.52 -3.17 117.51 123.16 1bsh h ILE 131 Ca 0.00 -2.11 -0.03 0.00 1.08 0.00 0.00 64.86 63.80 1bsh h ILE 131 Cb 0.95 2.33 -0.00 0.00 -1.09 0.00 0.00 36.82 39.01 1bsh h ILE 131 CO 0.08 0.48 -0.16 -0.33 -1.08 0.00 0.00 178.15 177.14 1bsh h GLU 132 N 0.00 0.00 -0.03 2.19 4.39 -1.14 -2.85 114.58 117.14 1bsh h GLU 132 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1bsh h GLU 132 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1bsh h GLU 132 CO 0.06 0.16 0.00 1.47 -1.16 0.00 0.00 179.01 179.54 1bsh n LEU 133 N -3.22 1.61 -0.52 1.33 -0.00 -1.18 -3.73 117.00 111.29 1bsh n LEU 133 Ca 0.02 -0.55 0.10 0.00 -0.00 0.00 0.00 56.01 55.58 1bsh n LEU 133 Cb 0.47 -0.01 0.37 0.00 -0.00 0.00 0.00 43.42 44.25 1bsh n LEU 133 CO 0.33 0.28 0.77 1.07 -0.00 0.00 0.00 177.39 179.84 1bsh n THR 134 N 0.26 0.21 0.14 1.47 5.66 -1.08 -3.89 114.28 117.06 1bsh n THR 134 Ca 0.18 -0.33 -0.01 0.00 -3.05 0.00 0.00 64.05 60.85 1bsh n THR 134 Cb 0.37 0.32 0.20 0.00 -1.55 0.00 0.00 70.33 69.67 1bsh n THR 134 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 1bsh h LYS 135 N 2.07 0.01 -0.48 1.09 2.10 -1.74 -2.58 116.57 117.03 1bsh h LYS 135 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1bsh h LYS 135 Cb 0.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1bsh h LYS 135 CO 0.00 0.58 0.00 1.63 -2.00 0.00 0.00 179.45 179.66 1bsh n LYS 136 N -3.86 2.17 -0.02 0.07 4.01 -1.25 -4.15 118.16 115.13 1bsh n LYS 136 Ca -0.01 -1.56 -0.16 0.00 -0.51 0.00 0.00 58.31 56.07 1bsh n LYS 136 Cb 0.58 -1.42 -0.12 0.00 -0.51 0.00 0.00 35.03 33.56 1bsh n LYS 136 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1bsh h ALA 137 N 3.68 0.03 -0.03 7.82 0.00 -1.69 -3.54 119.26 125.53 1bsh h ALA 137 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1bsh h ALA 137 Cb 0.69 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1bsh h ALA 137 CO 0.04 0.12 0.00 -1.33 0.00 0.00 0.00 179.25 178.08