#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 0.00 -3.63 0.00 0.00 -1.26 -5.07 117.12 107.15 1bsh n MET 2 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.70 57.60 1bsh n MET 2 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.15 1bsh n MET 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1bsh s THR 3 N 0.00 0.00 0.00 1.12 -4.23 -1.26 -4.76 115.64 106.51 1bsh s THR 3 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1bsh s THR 3 Cb 0.00 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1bsh s THR 3 CO 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 1bsh n TYR 4 N 2.29 0.00 -3.93 3.99 4.11 -0.73 -4.78 117.16 118.11 1bsh n TYR 4 Ca -0.13 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.65 1bsh n TYR 4 Cb 0.56 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.76 1bsh n TYR 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1bsh s HIS 5 N 0.46 0.12 0.05 -3.48 5.65 -0.31 -1.56 115.29 116.21 1bsh s HIS 5 Ca 0.00 -0.11 0.01 0.00 0.25 0.00 0.00 55.06 55.22 1bsh s HIS 5 Cb 0.00 -0.08 -0.03 0.00 -1.18 0.00 0.00 32.58 31.29 1bsh s HIS 5 CO 0.00 -0.03 -0.06 -0.48 -0.65 0.00 0.00 174.74 173.52 1bsh s LEU 6 N -0.28 2.35 -0.31 8.88 0.05 -1.04 -1.16 118.68 127.17 1bsh s LEU 6 Ca -0.02 -0.71 0.01 0.00 0.05 0.00 0.00 54.13 53.45 1bsh s LEU 6 Cb -0.02 -0.03 0.14 0.00 -2.05 0.00 0.00 46.19 44.23 1bsh s LEU 6 CO -0.00 -0.34 0.33 -0.62 -0.55 0.00 0.00 176.35 175.17 1bsh s ASP 7 N -2.10 1.32 -0.41 1.48 2.15 0.38 -2.72 116.67 116.78 1bsh s ASP 7 Ca -0.04 -0.85 -0.15 0.00 0.43 0.00 0.00 52.55 51.94 1bsh s ASP 7 Cb -0.04 0.64 0.02 0.00 -0.30 0.00 0.00 42.92 43.24 1bsh s ASP 7 CO -0.03 -0.36 0.33 0.54 -0.17 0.00 0.00 175.17 175.49 1bsh s VAL 8 N 2.21 5.22 0.15 1.11 0.11 -0.60 -1.34 120.40 127.26 1bsh s VAL 8 Ca 0.11 -0.58 0.08 0.00 -2.93 0.00 0.00 61.98 58.66 1bsh s VAL 8 Cb -0.14 -3.95 -0.04 0.00 -1.53 0.00 0.00 36.38 30.72 1bsh s VAL 8 CO -0.27 -0.33 -0.17 0.68 -3.33 0.00 0.00 175.10 171.68 1bsh s VAL 9 N 1.78 1.70 -0.30 2.04 -7.23 -1.14 -3.14 120.40 114.11 1bsh s VAL 9 Ca 0.07 -1.84 -0.05 0.00 -1.81 0.00 0.00 61.98 58.34 1bsh s VAL 9 Cb -0.19 -1.75 0.19 0.00 0.56 0.00 0.00 36.38 35.19 1bsh s VAL 9 CO 0.11 -0.32 0.79 -0.55 -0.31 0.00 0.00 175.10 174.82 1bsh s SER 10 N -2.56 -1.02 -0.24 4.85 0.15 -1.26 -2.87 113.70 110.76 1bsh s SER 10 Ca 0.13 0.50 -0.01 0.00 0.70 0.00 0.00 55.95 57.28 1bsh s SER 10 Cb -0.06 1.80 0.00 0.00 -1.71 0.00 0.00 66.02 66.05 1bsh s SER 10 CO 0.06 -0.19 0.08 0.00 1.20 0.00 0.00 173.24 174.38 1bsh n ALA 11 N 5.41 -0.13 -3.78 5.45 0.00 -1.19 -3.38 120.51 122.88 1bsh n ALA 11 Ca -0.01 0.04 -0.28 0.00 0.00 0.00 0.00 53.44 53.19 1bsh n ALA 11 Cb 0.53 -0.96 0.04 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.24 -6.04 -0.01 0.00 1.02 -1.26 -4.88 120.64 108.23 1bsh n GLU 12 Ca -0.02 0.66 -0.21 0.00 -0.02 0.00 0.00 57.16 57.57 1bsh n GLU 12 Cb 0.52 -5.59 -0.13 0.00 -0.02 0.00 0.00 31.44 26.21 1bsh n GLU 12 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1bsh h GLN 13 N -2.18 0.21 -3.86 3.49 4.20 -1.93 -3.50 115.11 111.53 1bsh h GLN 13 Ca -0.57 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 57.79 1bsh h GLN 13 Cb 1.37 0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.28 1bsh h GLN 13 CO 0.64 1.17 -0.29 0.94 -0.67 0.00 0.00 178.83 180.62 1bsh n GLN 14 N -3.91 -1.15 0.00 1.46 7.27 -1.26 -5.01 117.38 114.79 1bsh n GLN 14 Ca -0.28 1.27 0.00 0.00 0.07 0.00 0.00 57.00 58.06 1bsh n GLN 14 Cb 0.90 -2.93 0.00 0.00 2.41 0.00 0.00 30.24 30.61 1bsh n GLN 14 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 1bsh n MET 15 N -0.08 0.00 -3.20 3.69 2.81 -1.19 -4.92 117.12 114.22 1bsh n MET 15 Ca 0.02 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.48 1bsh n MET 15 Cb 0.09 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.53 1bsh n MET 15 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 1bsh s PHE 16 N 0.36 3.11 -0.18 2.03 2.19 -1.25 -4.98 117.98 119.26 1bsh s PHE 16 Ca 0.00 -0.20 -0.04 0.00 0.33 0.00 0.00 56.93 57.03 1bsh s PHE 16 Cb 0.00 -3.14 0.06 0.00 -1.31 0.00 0.00 43.02 38.63 1bsh s PHE 16 CO 0.00 -0.79 0.06 -1.54 1.83 0.00 0.00 175.22 174.78 1bsh s SER 17 N 1.91 2.67 0.00 6.13 1.04 -1.26 -1.56 113.70 122.63 1bsh s SER 17 Ca 0.18 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1bsh s SER 17 Cb -0.15 -0.44 0.00 0.00 0.10 0.00 0.00 66.02 65.53 1bsh s SER 17 CO 0.17 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.67 1bsh n GLY 18 N 5.15 0.36 3.10 7.32 0.00 -1.10 -4.99 105.19 115.02 1bsh n GLY 18 Ca -0.08 -1.72 -0.22 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.23 -3.64 0.99 4.77 -1.26 -2.51 117.00 114.13 1bsh n LEU 19 Ca 0.00 -0.46 -0.04 0.00 -0.03 0.00 0.00 56.01 55.47 1bsh n LEU 19 Cb 0.00 -0.85 -0.06 0.00 -2.33 0.00 0.00 43.42 40.18 1bsh n LEU 19 CO 0.00 -3.54 1.06 0.54 -1.33 0.00 0.00 177.39 174.12 1bsh s VAL 20 N -2.11 0.00 -0.16 4.08 0.11 -0.60 -3.99 120.40 117.74 1bsh s VAL 20 Ca 0.46 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.44 1bsh s VAL 20 Cb -0.08 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.69 1bsh s VAL 20 CO 0.42 0.00 -0.19 -0.62 -3.33 0.00 0.00 175.10 171.38 1bsh n GLU 21 N 1.15 0.34 -3.41 1.54 1.02 -1.09 -1.77 120.64 118.43 1bsh n GLU 21 Ca -0.07 0.14 -0.17 0.00 -0.02 0.00 0.00 57.16 57.04 1bsh n GLU 21 Cb 0.58 -1.09 -0.10 0.00 -0.02 0.00 0.00 31.44 30.81 1bsh n GLU 21 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1bsh s LYS 22 N -2.29 0.31 -0.41 3.49 -0.14 -1.15 -4.64 119.74 114.90 1bsh s LYS 22 Ca -0.22 -0.06 -0.15 0.00 -1.36 0.00 0.00 55.97 54.18 1bsh s LYS 22 Cb 0.08 -0.71 0.02 0.00 -1.68 0.00 0.00 37.83 35.54 1bsh s LYS 22 CO 0.29 -0.96 0.31 -1.50 -0.76 0.00 0.00 175.35 172.72 1bsh s ILE 23 N 2.37 5.26 -0.41 2.17 2.07 -1.15 -1.38 121.20 130.12 1bsh s ILE 23 Ca 0.09 -0.68 -0.15 0.00 -1.41 0.00 0.00 60.65 58.50 1bsh s ILE 23 Cb -0.14 -3.94 0.02 0.00 0.13 0.00 0.00 42.46 38.52 1bsh s ILE 23 CO -0.30 -0.33 0.31 -1.10 -1.91 0.00 0.00 174.94 171.61 1bsh s GLN 24 N 1.69 2.99 0.03 3.50 -0.21 0.11 -0.54 119.66 127.22 1bsh s GLN 24 Ca 0.05 -1.00 -0.02 0.00 0.02 0.00 0.00 55.36 54.41 1bsh s GLN 24 Cb -0.19 -3.98 -0.04 0.00 1.00 0.00 0.00 33.01 29.80 1bsh s GLN 24 CO 0.10 -0.75 0.21 0.54 -2.12 0.00 0.00 175.29 173.26 1bsh s VAL 25 N 1.71 5.40 -0.06 1.09 0.11 -1.26 -1.16 120.40 126.23 1bsh s VAL 25 Ca 0.05 -0.23 -0.01 0.00 -2.93 0.00 0.00 61.98 58.87 1bsh s VAL 25 Cb -0.19 -3.58 0.03 0.00 -1.53 0.00 0.00 36.38 31.11 1bsh s VAL 25 CO 0.10 0.24 0.00 -0.89 -3.33 0.00 0.00 175.10 171.22 1bsh s THR 26 N -1.41 0.35 0.29 5.04 2.01 -0.83 -4.13 115.64 116.96 1bsh s THR 26 Ca 0.31 0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.38 1bsh s THR 26 Cb -0.13 -0.49 0.02 0.00 0.01 0.00 0.00 72.50 71.91 1bsh s THR 26 CO 0.23 0.24 0.47 0.61 -0.69 0.00 0.00 174.62 175.48 1bsh n GLY 27 N 4.97 1.94 3.81 4.40 0.00 -1.25 -2.22 105.19 116.84 1bsh n GLY 27 Ca -0.10 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 1bsh n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bsh s SER 28 N -2.69 6.64 -0.41 1.61 0.15 -0.78 -4.37 113.70 113.85 1bsh s SER 28 Ca 0.20 1.77 -0.08 0.00 0.70 0.00 0.00 55.95 58.54 1bsh s SER 28 Cb -0.02 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.76 1bsh s SER 28 CO 0.14 -0.57 0.48 -0.62 1.20 0.00 0.00 173.24 173.88 1bsh n GLU 29 N -0.90 -1.51 0.00 5.44 -0.58 -1.26 -4.71 120.64 117.11 1bsh n GLU 29 Ca 0.08 1.56 0.00 0.00 -0.42 0.00 0.00 57.16 58.38 1bsh n GLU 29 Cb 0.53 -4.71 0.00 0.00 -0.57 0.00 0.00 31.44 26.70 1bsh n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bsh n GLY 30 N -0.81 0.42 0.00 0.62 0.00 -1.26 -4.99 105.19 99.17 1bsh n GLY 30 Ca 0.06 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.97 1bsh n GLY 30 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1bsh n GLU 31 N 0.05 0.00 -3.50 1.61 -0.00 -1.26 -4.14 120.64 113.40 1bsh n GLU 31 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.16 56.84 1bsh n GLU 31 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 31.44 31.39 1bsh n GLU 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1bsh s LEU 32 N 0.00 4.20 0.57 -1.84 1.43 -1.26 -4.73 118.68 117.05 1bsh s LEU 32 Ca 0.00 0.81 0.09 0.00 -1.03 0.00 0.00 54.13 54.00 1bsh s LEU 32 Cb 0.00 -3.56 0.08 0.00 0.03 0.00 0.00 46.19 42.75 1bsh s LEU 32 CO 0.00 -0.03 0.79 -0.83 0.23 0.00 0.00 176.35 176.51 1bsh s GLY 33 N -2.39 1.74 -0.09 -3.19 0.00 -1.26 -4.14 107.32 97.99 1bsh s GLY 33 Ca 0.45 -2.09 -0.09 0.00 0.00 0.00 0.00 44.72 43.00 1bsh s GLY 33 CO 0.22 -1.64 0.20 -0.42 0.00 0.00 0.00 173.10 171.46 1bsh s ILE 34 N -2.68 5.41 0.24 0.90 -1.09 0.30 -4.89 121.20 119.39 1bsh s ILE 34 Ca 0.62 0.33 0.01 0.00 -2.23 0.00 0.00 60.65 59.38 1bsh s ILE 34 Cb -0.06 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.31 1bsh s ILE 34 CO 0.39 0.60 0.13 -0.72 -1.23 0.00 0.00 174.94 174.11 1bsh s TYR 35 N -1.05 1.35 -1.22 3.97 1.13 -1.26 -2.95 117.35 117.32 1bsh s TYR 35 Ca 0.17 -1.33 -0.21 0.00 -1.41 0.00 0.00 57.07 54.29 1bsh s TYR 35 Cb -0.13 -0.71 -0.04 0.00 -1.10 0.00 0.00 41.96 39.98 1bsh s TYR 35 CO 0.06 -0.54 1.88 -1.25 -2.51 0.00 0.00 175.55 173.19 1bsh s PRO 36 N -4.05 2.91 0.00 -3.49 0.04 -1.26 -2.77 135.00 126.38 1bsh s PRO 36 Ca 0.38 -1.42 0.00 0.00 0.04 0.00 0.00 61.00 60.01 1bsh s PRO 36 Cb 0.07 -5.33 0.00 0.00 0.04 0.00 0.00 34.50 29.28 1bsh s PRO 36 CO 0.14 -3.52 0.00 0.41 0.04 0.00 0.00 177.00 174.07 1bsh n GLY 37 N 5.67 0.40 3.79 0.56 0.00 -1.26 -4.83 105.19 109.52 1bsh n GLY 37 Ca 0.46 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.10 1bsh n GLY 37 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1bsh s HIS 38 N -0.53 3.77 0.88 1.61 2.46 -1.11 -5.00 115.29 117.35 1bsh s HIS 38 Ca 0.00 1.61 -0.15 0.00 0.47 0.00 0.00 55.06 56.99 1bsh s HIS 38 Cb 0.00 -2.78 -0.06 0.00 -0.13 0.00 0.00 32.58 29.61 1bsh s HIS 38 CO 0.00 0.37 -0.03 0.00 -2.47 0.00 0.00 174.74 172.61 1bsh n ALA 39 N 1.02 -3.41 -2.45 1.58 0.00 -1.26 -4.76 120.51 111.23 1bsh n ALA 39 Ca -0.02 -0.50 -0.38 0.00 0.00 0.00 0.00 53.44 52.53 1bsh n ALA 39 Cb 0.50 -1.55 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 1bsh n ALA 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1bsh s PRO 40 N -2.64 3.44 0.16 0.00 0.04 -1.26 -4.82 135.00 129.92 1bsh s PRO 40 Ca 0.53 -1.17 0.03 0.00 0.04 0.00 0.00 61.00 60.43 1bsh s PRO 40 Cb -0.26 -5.34 -0.03 0.00 0.04 0.00 0.00 34.50 28.91 1bsh s PRO 40 CO 0.71 -2.52 0.30 -0.51 0.04 0.00 0.00 177.00 175.02 1bsh s LEU 41 N 6.02 4.33 -0.49 -3.56 2.01 -1.26 -4.97 118.68 120.76 1bsh s LEU 41 Ca 0.53 0.17 0.06 0.00 0.01 0.00 0.00 54.13 54.90 1bsh s LEU 41 Cb -0.00 -2.91 0.21 0.00 0.01 0.00 0.00 46.19 43.50 1bsh s LEU 41 CO -0.03 0.04 0.76 0.00 1.01 0.00 0.00 176.35 178.12 1bsh n LEU 42 N -0.64 -2.84 0.00 1.79 -0.00 -1.26 -2.58 117.00 111.47 1bsh n LEU 42 Ca -0.07 -3.28 0.00 0.00 -0.00 0.00 0.00 56.01 52.66 1bsh n LEU 42 Cb 0.54 0.77 0.00 0.00 -0.00 0.00 0.00 43.42 44.74 1bsh n LEU 42 CO 0.48 1.97 0.00 1.07 -0.00 0.00 0.00 177.39 180.91 1bsh n THR 43 N 2.30 0.00 -3.80 1.47 5.66 -1.23 -4.95 114.28 113.73 1bsh n THR 43 Ca 0.15 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.79 1bsh n THR 43 Cb 0.58 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.30 1bsh n THR 43 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bsh s ALA 44 N -1.20 3.80 0.00 1.79 0.00 -1.26 -0.81 121.76 124.09 1bsh s ALA 44 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1bsh s ALA 44 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 21.05 1bsh s ALA 44 CO 0.00 0.45 0.00 -0.89 0.00 0.00 0.00 175.76 175.32 1bsh n ILE 45 N 2.52 0.00 -3.13 0.00 5.41 -1.04 -4.95 119.36 118.17 1bsh n ILE 45 Ca -0.18 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.43 1bsh n ILE 45 Cb 0.54 0.00 0.07 0.00 -0.71 0.00 0.00 39.64 39.54 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 0.00 -4.73 -1.57 0.38 5.02 -1.26 -4.44 118.16 111.55 1bsh n LYS 46 Ca 0.00 0.70 -0.41 0.00 -2.02 0.00 0.00 58.31 56.58 1bsh n LYS 46 Cb 0.00 -5.22 -0.01 0.00 -0.02 0.00 0.00 35.03 29.78 1bsh n LYS 46 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1bsh n PRO 47 N -3.44 3.21 0.00 1.97 -0.04 -1.26 -4.06 135.00 131.38 1bsh n PRO 47 Ca -0.20 -2.46 0.00 0.00 -0.04 0.00 0.00 63.50 60.80 1bsh n PRO 47 Cb 0.63 -3.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 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 3.86 -0.26 0.00 0.55 0.00 -0.93 -1.87 105.19 106.54 1bsh n GLY 48 Ca 0.63 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1bsh n GLY 48 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1bsh n MET 49 N 0.00 1.55 -3.53 1.61 0.00 -0.94 -0.60 117.12 115.20 1bsh n MET 49 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 57.70 57.73 1bsh n MET 49 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.16 1bsh n MET 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 1bsh s ILE 50 N 0.22 -0.01 0.46 3.17 -1.16 0.74 -1.96 121.20 122.66 1bsh s ILE 50 Ca 0.00 0.00 0.07 0.00 -0.51 0.00 0.00 60.65 60.21 1bsh s ILE 50 Cb 0.00 -1.00 -0.01 0.00 0.61 0.00 0.00 42.46 42.06 1bsh s ILE 50 CO 0.00 0.00 0.31 -0.13 -2.81 0.00 0.00 174.94 172.31 1bsh s ARG 51 N 1.26 2.34 0.22 3.50 0.52 -0.31 -0.51 118.95 125.97 1bsh s ARG 51 Ca -0.06 -1.81 -0.17 0.00 -0.52 0.00 0.00 55.73 53.18 1bsh s ARG 51 Cb -0.02 -2.14 0.02 0.00 0.52 0.00 0.00 34.95 33.33 1bsh s ARG 51 CO -0.11 -0.31 0.53 0.42 0.02 0.00 0.00 175.30 175.86 1bsh s ILE 52 N -2.62 0.02 -0.20 1.52 1.01 -0.99 0.07 121.20 120.01 1bsh s ILE 52 Ca 0.41 -0.96 -0.04 0.00 0.00 0.00 0.00 60.65 60.05 1bsh s ILE 52 Cb -0.00 -1.77 0.07 0.00 0.01 0.00 0.00 42.46 40.76 1bsh s ILE 52 CO 0.24 -0.09 0.09 -0.69 0.00 0.00 0.00 174.94 174.49 1bsh s VAL 53 N -3.91 0.04 0.00 2.92 1.01 -0.48 -2.40 120.40 117.57 1bsh s VAL 53 Ca 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1bsh s VAL 53 Cb -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.62 1bsh s VAL 53 CO 0.01 -0.36 0.00 1.17 0.00 0.00 0.00 175.10 175.92 1bsh n LYS 54 N 5.22 0.00 -0.76 2.72 4.81 -1.25 -2.65 118.16 126.25 1bsh n LYS 54 Ca -0.07 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.04 1bsh n LYS 54 Cb 0.47 0.00 0.14 0.00 0.02 0.00 0.00 35.03 35.66 1bsh n LYS 54 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1bsh n GLN 55 N 0.00 -0.91 0.00 1.64 0.00 -1.26 -4.54 117.38 112.31 1bsh n GLN 55 Ca 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 57.00 56.76 1bsh n GLN 55 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 30.24 28.57 1bsh n GLN 55 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1bsh n HIS 56 N -3.94 0.00 0.00 3.69 -0.00 -1.26 -4.48 115.22 109.24 1bsh n HIS 56 Ca 0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.21 1bsh n HIS 56 Cb 0.60 0.02 0.00 0.00 -0.12 0.00 0.00 29.99 30.48 1bsh n HIS 56 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1bsh n GLY 57 N 0.00 1.33 0.00 1.57 0.00 -1.26 -4.89 105.19 101.94 1bsh n GLY 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bsh n GLY 57 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bsh n HIS 58 N -0.26 0.00 -3.57 1.61 8.25 -1.26 -4.80 115.22 115.18 1bsh n HIS 58 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 1bsh n HIS 58 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 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 -1.86 0.57 0.28 -0.41 4.04 -1.26 -3.87 118.70 116.20 1bsh s GLU 59 Ca 0.00 0.04 0.11 0.00 0.04 0.00 0.00 54.97 55.16 1bsh s GLU 59 Cb 0.00 0.27 -0.05 0.00 0.02 0.00 0.00 34.13 34.37 1bsh s GLU 59 CO 0.00 -0.20 -0.17 -1.21 -1.84 0.00 0.00 175.26 171.84 1bsh s GLU 60 N -1.54 1.65 -0.00 -4.83 0.41 -1.01 -4.91 118.70 108.47 1bsh s GLU 60 Ca 0.01 -1.77 0.07 0.00 -0.41 0.00 0.00 54.97 52.87 1bsh s GLU 60 Cb -0.01 -1.64 -0.03 0.00 -1.78 0.00 0.00 34.13 30.68 1bsh s GLU 60 CO -0.01 0.27 -0.22 -0.06 -0.49 0.00 0.00 175.26 174.74 1bsh s PHE 61 N -2.61 2.44 0.20 1.61 0.40 -1.26 -2.33 117.98 116.43 1bsh s PHE 61 Ca 0.29 -0.35 -0.13 0.00 -0.60 0.00 0.00 56.93 56.15 1bsh s PHE 61 Cb -0.03 -1.50 0.00 0.00 0.51 0.00 0.00 43.02 42.01 1bsh s PHE 61 CO 0.14 0.09 0.42 0.42 0.70 0.00 0.00 175.22 176.99 1bsh s ILE 62 N -0.73 0.03 -0.29 0.64 1.09 0.34 -3.87 121.20 118.41 1bsh s ILE 62 Ca 0.11 -1.20 -0.16 0.00 -1.10 0.00 0.00 60.65 58.30 1bsh s ILE 62 Cb -0.10 -1.88 0.16 0.00 -1.06 0.00 0.00 42.46 39.58 1bsh s ILE 62 CO 0.01 -0.14 1.04 -0.47 -0.10 0.00 0.00 174.94 175.28 1bsh s TYR 63 N -3.95 -0.46 0.32 3.97 6.14 -1.26 -0.19 117.35 121.92 1bsh s TYR 63 Ca 0.16 0.91 0.03 0.00 0.64 0.00 0.00 57.07 58.82 1bsh s TYR 63 Cb 0.01 0.27 -0.05 0.00 0.42 0.00 0.00 41.96 42.61 1bsh s TYR 63 CO 0.02 -0.23 0.10 -0.51 0.64 0.00 0.00 175.55 175.58 1bsh s LEU 64 N 1.26 1.90 -0.33 6.97 1.43 0.23 -2.50 118.68 127.64 1bsh s LEU 64 Ca -0.09 -1.48 0.16 0.00 -1.03 0.00 0.00 54.13 51.69 1bsh s LEU 64 Cb -0.03 -0.11 0.44 0.00 0.03 0.00 0.00 46.19 46.52 1bsh s LEU 64 CO -0.14 -0.77 1.19 -1.20 0.23 0.00 0.00 176.35 175.67 1bsh n SER 65 N -0.81 0.06 0.00 2.29 7.64 -1.23 -2.18 113.62 119.39 1bsh n SER 65 Ca -0.02 -2.43 0.00 0.00 1.01 0.00 0.00 58.87 57.43 1bsh n SER 65 Cb 0.66 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 1bsh n SER 65 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bsh n GLY 66 N -0.54 1.46 3.51 0.23 0.00 -1.26 -4.95 105.19 103.64 1bsh n GLY 66 Ca 0.01 -0.25 -0.16 0.00 0.00 0.00 0.00 46.02 45.62 1bsh n GLY 66 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bsh s GLY 67 N 0.00 -0.56 -0.25 -0.02 0.00 -1.26 -4.10 107.32 101.13 1bsh s GLY 67 Ca 0.00 1.26 -0.08 0.00 0.00 0.00 0.00 44.72 45.91 1bsh s GLY 67 CO 0.00 0.85 0.08 -0.42 0.00 0.00 0.00 173.10 173.61 1bsh s ILE 68 N -1.57 4.38 0.00 0.90 1.01 -0.12 -2.50 121.20 123.31 1bsh s ILE 68 Ca -0.08 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.40 1bsh s ILE 68 Cb -0.00 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.40 1bsh s ILE 68 CO 0.06 0.32 0.00 0.00 0.00 0.00 0.00 174.94 175.31 1bsh n LEU 69 N 4.93 0.00 -3.39 2.97 -0.00 0.01 -1.83 117.00 119.70 1bsh n LEU 69 Ca -0.16 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 55.88 1bsh n LEU 69 Cb 0.51 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.88 1bsh n LEU 69 CO 0.31 -0.04 0.92 -1.83 -0.00 0.00 0.00 177.39 176.75 1bsh s GLU 70 N 1.53 0.07 -0.12 1.47 4.04 -0.34 -3.54 118.70 121.81 1bsh s GLU 70 Ca 0.00 0.16 -0.08 0.00 0.04 0.00 0.00 54.97 55.09 1bsh s GLU 70 Cb 0.00 0.07 -0.04 0.00 0.02 0.00 0.00 34.13 34.17 1bsh s GLU 70 CO 0.00 -0.02 0.15 0.54 -1.84 0.00 0.00 175.26 174.09 1bsh s VAL 71 N 1.68 5.47 0.46 1.83 0.11 -1.06 -2.19 120.40 126.69 1bsh s VAL 71 Ca -0.03 0.24 0.04 0.00 -2.93 0.00 0.00 61.98 59.29 1bsh s VAL 71 Cb -0.02 -3.42 -0.04 0.00 -1.53 0.00 0.00 36.38 31.37 1bsh s VAL 71 CO -0.14 0.60 0.02 -1.10 -3.33 0.00 0.00 175.10 171.15 1bsh s GLN 72 N -0.86 2.06 -1.16 1.54 -0.21 -0.47 -4.47 119.66 116.09 1bsh s GLN 72 Ca 0.15 -2.25 -0.21 0.00 0.02 0.00 0.00 55.36 53.07 1bsh s GLN 72 Cb -0.12 -1.44 0.05 0.00 1.00 0.00 0.00 33.01 32.50 1bsh s GLN 72 CO 0.04 -0.26 1.64 -1.25 -2.12 0.00 0.00 175.29 173.35 1bsh s PRO 73 N -3.81 3.65 0.00 2.91 0.04 -1.26 -3.47 135.00 133.06 1bsh s PRO 73 Ca 0.19 -1.49 0.00 0.00 0.04 0.00 0.00 61.00 59.74 1bsh s PRO 73 Cb 0.05 -5.42 0.00 0.00 0.04 0.00 0.00 34.50 29.17 1bsh s PRO 73 CO 0.10 -2.41 0.00 0.41 0.04 0.00 0.00 177.00 175.14 1bsh n GLY 74 N 6.12 3.03 3.37 0.56 0.00 -1.26 -5.09 105.19 111.92 1bsh n GLY 74 Ca 0.42 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.13 -0.39 0.20 1.61 2.20 -1.23 -1.16 114.94 116.04 1bsh s ASN 75 Ca 0.00 0.14 0.02 0.00 -0.94 0.00 0.00 52.86 52.08 1bsh s ASN 75 Cb 0.00 0.46 -0.05 0.00 -2.00 0.00 0.00 41.25 39.66 1bsh s ASN 75 CO 0.00 -0.68 0.02 0.54 -2.94 0.00 0.00 177.10 174.04 1bsh s VAL 76 N -2.32 0.69 -0.10 3.54 0.11 -0.31 -1.36 120.40 120.66 1bsh s VAL 76 Ca -0.06 -1.99 -0.19 0.00 -2.93 0.00 0.00 61.98 56.81 1bsh s VAL 76 Cb -0.01 -2.27 0.04 0.00 -1.53 0.00 0.00 36.38 32.62 1bsh s VAL 76 CO -0.01 -0.34 0.47 -0.89 -3.33 0.00 0.00 175.10 170.99 1bsh s THR 77 N -3.65 0.02 0.09 5.04 2.01 -0.93 -0.47 115.64 117.74 1bsh s THR 77 Ca 0.28 -0.16 0.09 0.00 0.31 0.00 0.00 61.69 62.20 1bsh s THR 77 Cb 0.06 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 1bsh s THR 77 CO 0.07 -0.09 -0.23 0.68 -0.69 0.00 0.00 174.62 174.35 1bsh s VAL 78 N -0.60 1.92 -0.22 3.82 -7.23 -0.45 -1.20 120.40 116.45 1bsh s VAL 78 Ca -0.07 -1.49 0.02 0.00 -1.81 0.00 0.00 61.98 58.62 1bsh s VAL 78 Cb -0.03 -1.70 0.04 0.00 0.56 0.00 0.00 36.38 35.25 1bsh s VAL 78 CO 0.04 0.12 -0.13 -0.76 -0.31 0.00 0.00 175.10 174.05 1bsh s LEU 79 N -1.66 2.72 0.26 1.32 1.02 -0.76 -2.89 118.68 118.69 1bsh s LEU 79 Ca 0.10 -1.04 0.02 0.00 0.02 0.00 0.00 54.13 53.22 1bsh s LEU 79 Cb -0.10 -1.43 -0.04 0.00 0.02 0.00 0.00 46.19 44.64 1bsh s LEU 79 CO 0.04 -0.13 0.14 0.00 0.02 0.00 0.00 176.35 176.42 1bsh s ALA 80 N 1.25 1.63 -0.00 4.21 0.00 -1.14 -0.94 121.76 126.77 1bsh s ALA 80 Ca -0.03 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.15 1bsh s ALA 80 Cb -0.17 1.23 -0.02 0.00 0.00 0.00 0.00 23.12 24.16 1bsh s ALA 80 CO -0.08 -0.53 0.03 -0.25 0.00 0.00 0.00 175.76 174.92 1bsh n ASP 81 N -0.64 4.68 -4.21 0.00 9.92 -1.26 -3.17 116.55 121.88 1bsh n ASP 81 Ca 0.02 0.00 -0.36 0.00 -0.53 0.00 0.00 54.79 53.92 1bsh n ASP 81 Cb 0.65 1.05 -0.13 0.00 -0.64 0.00 0.00 41.12 42.06 1bsh n ASP 81 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1bsh s THR 82 N -2.10 3.28 0.05 -3.53 2.01 -1.26 -4.69 115.64 109.40 1bsh s THR 82 Ca -0.01 -1.32 0.05 0.00 0.31 0.00 0.00 61.69 60.73 1bsh s THR 82 Cb 0.01 -2.89 -0.02 0.00 0.01 0.00 0.00 72.50 69.61 1bsh s THR 82 CO 0.06 -0.15 -0.15 0.00 -0.69 0.00 0.00 174.62 173.69 1bsh s ALA 83 N 1.30 1.25 -0.38 7.40 0.00 -1.26 -3.51 121.76 126.57 1bsh s ALA 83 Ca -0.04 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.05 1bsh s ALA 83 Cb -0.20 -0.19 0.15 0.00 0.00 0.00 0.00 23.12 22.89 1bsh s ALA 83 CO 0.00 0.23 0.26 0.42 0.00 0.00 0.00 175.76 176.68 1bsh s ILE 84 N -0.92 0.31 0.69 0.00 1.01 -1.04 -5.00 121.20 116.25 1bsh s ILE 84 Ca 0.02 -2.11 -0.17 0.00 0.00 0.00 0.00 60.65 58.38 1bsh s ILE 84 Cb -0.08 -1.23 -0.13 0.00 0.01 0.00 0.00 42.46 41.03 1bsh s ILE 84 CO 0.02 -1.07 -0.20 -1.14 0.00 0.00 0.00 174.94 172.55 1bsh n ARG 85 N 3.57 0.06 -1.49 2.79 0.63 -1.26 -4.28 116.66 116.68 1bsh n ARG 85 Ca 0.18 0.03 -0.46 0.00 -0.92 0.00 0.00 57.85 56.68 1bsh n ARG 85 Cb 0.41 -1.16 -0.06 0.00 0.45 0.00 0.00 32.46 32.09 1bsh n ARG 85 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1bsh n GLY 86 N 2.63 0.45 2.69 5.14 0.00 -1.25 -2.90 105.19 111.95 1bsh n GLY 86 Ca 0.05 0.88 -0.07 0.00 0.00 0.00 0.00 46.02 46.89 1bsh n GLY 86 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1bsh n GLN 87 N 8.46 -2.06 -0.03 1.61 7.27 -1.26 -4.96 117.38 126.40 1bsh n GLN 87 Ca 0.41 1.91 -0.14 0.00 0.07 0.00 0.00 57.00 59.25 1bsh n GLN 87 Cb 0.30 -5.18 -0.14 0.00 2.41 0.00 0.00 30.24 27.63 1bsh n GLN 87 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1bsh n ASP 88 N -0.38 1.30 -3.64 1.69 -0.08 -1.14 -4.96 116.55 109.35 1bsh n ASP 88 Ca 0.10 0.25 -0.07 0.00 -1.51 0.00 0.00 54.79 53.56 1bsh n ASP 88 Cb 0.41 -0.25 -0.07 0.00 2.34 0.00 0.00 41.12 43.55 1bsh n ASP 88 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1bsh s LEU 89 N -6.39 -0.78 0.00 -2.67 2.96 -1.26 -5.09 118.68 105.45 1bsh s LEU 89 Ca -0.14 1.28 0.00 0.00 -0.22 0.00 0.00 54.13 55.05 1bsh s LEU 89 Cb 0.07 2.19 0.00 0.00 0.50 0.00 0.00 46.19 48.96 1bsh s LEU 89 CO 0.79 -0.21 0.00 0.47 -1.32 0.00 0.00 176.35 176.08 1bsh n ASP 90 N 3.83 -5.55 0.00 3.68 8.00 -1.26 -4.97 116.55 120.28 1bsh n ASP 90 Ca -0.18 0.92 0.00 0.00 0.71 0.00 0.00 54.79 56.24 1bsh n ASP 90 Cb 0.58 -2.74 0.00 0.00 -0.02 0.00 0.00 41.12 38.94 1bsh n ASP 90 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1bsh n GLU 91 N -2.81 0.00 0.15 -1.24 0.28 -1.26 -4.93 120.64 110.83 1bsh n GLU 91 Ca 0.01 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.02 1bsh n GLU 91 Cb 0.39 0.00 0.17 0.00 1.43 0.00 0.00 31.44 33.43 1bsh n GLU 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1bsh h ALA 92 N 0.00 0.83 -0.12 -1.84 0.00 -2.02 -2.73 119.26 113.37 1bsh h ALA 92 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1bsh h ALA 92 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1bsh h ALA 92 CO 0.00 0.67 0.00 0.54 0.00 0.00 0.00 179.25 180.46 1bsh n ARG 93 N -3.49 1.33 0.02 0.00 5.12 -1.26 -3.27 116.66 115.11 1bsh n ARG 93 Ca 0.00 -0.51 0.12 0.00 -1.93 0.00 0.00 57.85 55.53 1bsh n ARG 93 Cb 0.64 -1.19 0.19 0.00 -1.16 0.00 0.00 32.46 30.94 1bsh n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1bsh n ALA 94 N -0.15 3.31 0.14 7.54 0.00 -1.03 -3.77 120.51 126.54 1bsh n ALA 94 Ca 0.08 -0.32 0.01 0.00 0.00 0.00 0.00 53.44 53.21 1bsh n ALA 94 Cb 0.14 -1.12 0.09 0.00 0.00 0.00 0.00 19.45 18.57 1bsh n ALA 94 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1bsh h MET 95 N 0.00 0.00 0.00 0.00 2.86 -1.73 -3.08 114.93 112.98 1bsh h MET 95 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1bsh h MET 95 Cb 0.62 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1bsh h MET 95 CO 0.00 0.59 -0.20 0.93 1.06 0.00 0.00 176.91 179.29 1bsh h GLU 96 N 0.00 0.00 -0.72 1.72 5.08 -1.80 -3.17 114.58 115.70 1bsh h GLU 96 Ca -0.01 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1bsh h GLU 96 Cb 1.31 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.52 1bsh h GLU 96 CO 0.08 0.20 0.47 0.00 -1.00 0.00 0.00 179.01 178.75 1bsh h ALA 97 N 1.80 1.67 0.00 3.43 0.00 -1.69 0.21 119.26 124.68 1bsh h ALA 97 Ca -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1bsh h ALA 97 Cb 1.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1bsh h ALA 97 CO 0.03 0.23 -0.25 -0.22 0.00 0.00 0.00 179.25 179.04 1bsh h LYS 98 N 0.79 0.00 -0.05 0.00 3.64 -1.70 -2.88 116.57 116.37 1bsh h LYS 98 Ca 0.30 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 1bsh h LYS 98 Cb 0.19 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1bsh h LYS 98 CO -0.10 0.25 -0.03 -0.09 -2.27 0.00 0.00 179.45 177.21 1bsh h ARG 99 N 0.00 0.10 -0.15 1.90 2.43 -1.02 -2.85 114.38 114.79 1bsh h ARG 99 Ca -0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1bsh h ARG 99 Cb 1.17 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1bsh h ARG 99 CO 0.03 0.53 0.00 1.63 -1.51 0.00 0.00 179.97 180.65 1bsh n LYS 100 N -4.79 1.40 0.11 0.20 5.02 -0.86 -3.49 118.16 115.75 1bsh n LYS 100 Ca -0.08 -0.61 0.04 0.00 -2.02 0.00 0.00 58.31 55.64 1bsh n LYS 100 Cb 0.26 -1.21 0.01 0.00 -0.02 0.00 0.00 35.03 34.07 1bsh n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bsh h ALA 101 N 3.49 0.68 0.00 7.82 0.00 -1.27 -3.23 119.26 126.75 1bsh h ALA 101 Ca 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1bsh h ALA 101 Cb 0.24 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1bsh h ALA 101 CO 0.00 0.57 -0.20 1.49 0.00 0.00 0.00 179.25 181.12 1bsh h GLU 102 N 0.00 0.00 -0.37 0.00 4.81 -1.65 -3.00 114.58 114.37 1bsh h GLU 102 Ca -0.05 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1bsh h GLU 102 Cb 1.36 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.70 1bsh h GLU 102 CO 0.05 0.20 0.17 1.49 -0.73 0.00 0.00 179.01 180.18 1bsh h GLU 103 N 0.00 0.34 -0.23 1.92 4.81 -1.79 0.44 114.58 120.07 1bsh h GLU 103 Ca -0.00 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1bsh h GLU 103 Cb 0.62 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1bsh h GLU 103 CO 0.03 0.22 -0.00 0.45 -0.73 0.00 0.00 179.01 178.98 1bsh h HIS 104 N 0.35 0.35 0.00 0.92 3.86 -1.72 -0.76 115.15 118.15 1bsh h HIS 104 Ca 0.16 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1bsh h HIS 104 Cb 0.10 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1bsh h HIS 104 CO -0.11 0.36 -0.23 -0.89 0.86 0.00 0.00 177.93 177.92 1bsh n ILE 105 N -4.34 0.12 -1.53 2.45 5.41 -0.45 -4.78 119.36 116.24 1bsh n ILE 105 Ca 0.00 -0.07 -0.24 0.00 1.00 0.00 0.00 62.75 63.44 1bsh n ILE 105 Cb 0.20 -0.23 -0.14 0.00 -0.71 0.00 0.00 39.64 38.76 1bsh n ILE 105 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1bsh n SER 106 N -1.68 0.37 0.00 4.38 7.64 0.14 -3.69 113.62 120.79 1bsh n SER 106 Ca 0.06 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.22 1bsh n SER 106 Cb 0.36 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 1bsh n SER 106 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1bsh n SER 107 N 11.94 0.00 -3.55 6.43 2.88 -1.26 -5.06 113.62 125.00 1bsh n SER 107 Ca 0.57 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.92 1bsh n SER 107 Cb 0.27 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.74 1bsh n SER 107 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1bsh n SER 108 N -1.12 -5.85 -0.02 -3.46 7.64 -1.24 -4.95 113.62 104.62 1bsh n SER 108 Ca 0.00 -0.70 -0.02 0.00 1.01 0.00 0.00 58.87 59.16 1bsh n SER 108 Cb 0.00 -3.08 -0.01 0.00 -1.01 0.00 0.00 64.21 60.11 1bsh n SER 108 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1bsh n HIS 109 N -2.66 0.00 0.00 1.43 8.25 -1.26 -5.06 115.22 115.92 1bsh n HIS 109 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1bsh n HIS 109 Cb 0.61 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.62 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 1.85 3.60 0.00 -1.41 0.00 -1.26 -4.99 105.19 102.98 1bsh n GLY 110 Ca -0.03 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1bsh n GLY 110 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bsh n ASP 111 N 0.00 0.00 -2.33 1.61 9.92 -1.26 -4.30 116.55 120.19 1bsh n ASP 111 Ca 0.00 0.58 0.00 0.00 -0.53 0.00 0.00 54.79 54.85 1bsh n ASP 111 Cb 0.00 -0.08 0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1bsh n ASP 111 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1bsh n VAL 112 N -1.24 0.69 0.00 2.53 0.24 -1.26 -4.84 118.33 114.45 1bsh n VAL 112 Ca 0.00 -1.98 0.00 0.00 -2.04 0.00 0.00 64.34 60.32 1bsh n VAL 112 Cb 0.00 1.14 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 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 -0.37 0.00 0.31 -1.34 2.03 -1.26 -3.36 116.55 112.57 1bsh n ASP 113 Ca 0.02 0.00 0.21 0.00 0.52 0.00 0.00 54.79 55.54 1bsh n ASP 113 Cb 0.90 0.00 1.13 0.00 -0.72 0.00 0.00 41.12 42.43 1bsh n ASP 113 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 1bsh h TYR 114 N 0.00 0.00 0.23 -0.67 0.05 -1.89 0.40 116.97 115.09 1bsh h TYR 114 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1bsh h TYR 114 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1bsh h TYR 114 CO 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 178.16 177.00 1bsh h ALA 115 N 2.00 -0.31 -0.01 3.88 0.00 -1.83 -2.60 119.26 120.40 1bsh h ALA 115 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1bsh h ALA 115 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1bsh h ALA 115 CO 0.00 -0.44 -0.03 1.04 0.00 0.00 0.00 179.25 179.82 1bsh n GLN 116 N -5.03 1.42 0.03 0.00 1.13 -0.74 -3.68 117.38 110.50 1bsh n GLN 116 Ca -0.09 -0.71 0.00 0.00 -1.94 0.00 0.00 57.00 54.27 1bsh n GLN 116 Cb 0.26 -1.49 -0.08 0.00 0.11 0.00 0.00 30.24 29.04 1bsh n GLN 116 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bsh n ALA 117 N -0.17 1.97 0.30 -1.58 0.00 0.13 -3.84 120.51 117.33 1bsh n ALA 117 Ca 0.19 -0.56 0.18 0.00 0.00 0.00 0.00 53.44 53.25 1bsh n ALA 117 Cb 0.31 -0.93 0.90 0.00 0.00 0.00 0.00 19.45 19.72 1bsh n ALA 117 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bsh h SER 118 N 0.00 0.00 0.00 0.00 4.64 -1.54 -0.36 113.55 116.29 1bsh h SER 118 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1bsh h SER 118 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1bsh h SER 118 CO 0.04 0.00 -0.06 0.00 -0.87 0.00 0.00 176.83 175.95 1bsh n ALA 119 N -2.00 0.05 -0.22 5.18 0.00 -1.25 -3.14 120.51 119.12 1bsh n ALA 119 Ca -0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 53.44 53.27 1bsh n ALA 119 Cb 0.15 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.71 1bsh n ALA 119 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1bsh h GLU 120 N -0.11 0.54 0.80 0.00 4.11 -1.67 0.23 114.58 118.48 1bsh h GLU 120 Ca 0.00 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 59.36 1bsh h GLU 120 Cb 0.06 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.19 1bsh h GLU 120 CO 0.00 0.36 -0.38 1.25 0.07 0.00 0.00 179.01 180.30 1bsh h LEU 121 N 0.56 -0.91 -1.27 3.06 7.12 -1.28 -2.28 115.31 120.31 1bsh h LEU 121 Ca 0.31 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.36 1bsh h LEU 121 Cb 0.31 0.23 0.00 0.00 -0.53 0.00 0.00 40.66 40.67 1bsh h LEU 121 CO -0.25 -0.59 0.02 0.00 -0.13 0.00 0.00 178.44 177.49 1bsh n ALA 122 N -2.62 1.01 0.04 1.25 0.00 -1.11 -1.43 120.51 117.64 1bsh n ALA 122 Ca -0.13 0.18 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 1bsh n ALA 122 Cb 0.42 -1.25 0.26 0.00 0.00 0.00 0.00 19.45 18.88 1bsh n ALA 122 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1bsh h LYS 123 N 0.00 0.43 -0.08 0.00 1.63 0.07 -2.50 116.57 116.11 1bsh h LYS 123 Ca 0.00 -0.13 -0.12 0.00 -0.85 0.00 0.00 60.65 59.55 1bsh h LYS 123 Cb 0.04 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1bsh h LYS 123 CO 0.00 0.59 -0.48 0.00 -3.45 0.00 0.00 179.45 176.12 1bsh h ALA 124 N 1.43 1.04 0.00 5.00 0.00 -1.26 -2.28 119.26 123.18 1bsh h ALA 124 Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1bsh h ALA 124 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1bsh h ALA 124 CO 0.04 0.64 0.00 -0.89 0.00 0.00 0.00 179.25 179.03 1bsh n ILE 125 N -3.97 0.05 0.25 0.00 -0.00 -0.95 -2.94 119.36 111.79 1bsh n ILE 125 Ca -0.02 0.01 0.14 0.00 -0.00 0.00 0.00 62.75 62.88 1bsh n ILE 125 Cb 0.52 -0.58 0.44 0.00 -0.00 0.00 0.00 39.64 40.02 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 3.58 0.99 0.00 -1.39 0.00 -1.27 -2.91 119.26 118.27 1bsh h ALA 126 Ca 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1bsh h ALA 126 Cb 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1bsh h ALA 126 CO 0.00 0.05 -1.04 -0.56 0.00 0.00 0.00 179.25 177.70 1bsh h GLN 127 N 0.00 0.00 0.00 0.00 3.07 -1.71 -3.26 115.11 113.21 1bsh h GLN 127 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1bsh h GLN 127 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.32 1bsh h GLN 127 CO 0.01 0.26 0.00 -0.11 0.09 0.00 0.00 178.83 179.08 1bsh n LEU 128 N -2.94 0.00 0.05 0.06 0.00 -1.10 -2.68 117.00 110.40 1bsh n LEU 128 Ca -0.04 0.47 -0.14 0.00 0.00 0.00 0.00 56.01 56.29 1bsh n LEU 128 Cb 0.74 -0.47 -0.14 0.00 0.00 0.00 0.00 43.42 43.55 1bsh n LEU 128 CO 0.41 -0.18 -0.30 0.03 0.00 0.00 0.00 177.39 177.35 1bsh h ARG 129 N 0.00 0.17 0.00 1.96 2.47 -1.62 -3.29 114.38 114.07 1bsh h ARG 129 Ca 0.00 -0.30 -0.02 0.00 -1.26 0.00 0.00 59.98 58.40 1bsh h ARG 129 Cb 0.28 0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.71 1bsh h ARG 129 CO 0.00 1.01 -0.10 -0.39 0.56 0.00 0.00 179.97 181.04 1bsh h VAL 130 N 0.05 0.83 -0.83 2.04 -1.51 -1.67 -1.98 116.25 113.18 1bsh h VAL 130 Ca -0.22 -0.38 -0.03 0.00 -1.23 0.00 0.00 66.70 64.84 1bsh h VAL 130 Cb 1.98 1.22 -0.04 0.00 -2.13 0.00 0.00 31.29 32.32 1bsh h VAL 130 CO 0.14 0.10 0.40 0.40 -1.23 0.00 0.00 177.57 177.38 1bsh h ILE 131 N 0.00 1.26 0.00 7.19 2.04 -1.66 -0.58 117.51 125.75 1bsh h ILE 131 Ca -0.00 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1bsh h ILE 131 Cb 0.21 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1bsh h ILE 131 CO 0.01 0.31 0.00 -0.33 0.00 0.00 0.00 178.15 178.14 1bsh h GLU 132 N 1.18 0.00 0.07 2.37 4.39 -1.51 -2.30 114.58 118.78 1bsh h GLU 132 Ca 0.28 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.66 1bsh h GLU 132 Cb 0.12 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1bsh h GLU 132 CO -0.04 0.00 -1.78 -0.07 -1.16 0.00 0.00 179.01 175.96 1bsh h LEU 133 N 0.00 0.23 -1.36 1.33 4.07 -1.15 -3.33 115.31 115.10 1bsh h LEU 133 Ca 0.00 -0.48 -0.01 0.00 0.08 0.00 0.00 57.88 57.47 1bsh h LEU 133 Cb 0.23 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 41.90 1bsh h LEU 133 CO 0.00 1.42 -0.05 0.71 -1.08 0.00 0.00 178.44 179.44 1bsh h THR 134 N 0.04 0.12 -0.00 0.22 1.35 -0.80 0.13 112.91 113.98 1bsh h THR 134 Ca -0.33 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 1bsh h THR 134 Cb 2.02 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 70.01 1bsh h THR 134 CO 0.10 0.05 -0.03 2.29 -0.25 0.00 0.00 175.52 177.67 1bsh n LYS 135 N -3.16 0.37 -0.81 4.72 2.85 -0.98 -3.71 118.16 117.44 1bsh n LYS 135 Ca 0.01 -0.03 0.01 0.00 -1.05 0.00 0.00 58.31 57.24 1bsh n LYS 135 Cb 0.34 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.22 1bsh n LYS 135 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1bsh n LYS 136 N -1.28 0.00 0.02 -1.58 5.02 -0.86 -4.83 118.16 114.65 1bsh n LYS 136 Ca 0.13 -1.18 0.09 0.00 -2.02 0.00 0.00 58.31 55.33 1bsh n LYS 136 Cb 0.27 -0.25 -0.11 0.00 -0.02 0.00 0.00 35.03 34.92 1bsh n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bsh n ALA 137 N 0.14 2.60 0.41 7.82 0.00 -0.02 -5.04 120.51 126.41 1bsh n ALA 137 Ca 0.00 -0.47 0.05 0.00 0.00 0.00 0.00 53.44 53.02 1bsh n ALA 137 Cb 0.81 -0.85 0.04 0.00 0.00 0.00 0.00 19.45 19.45 1bsh n ALA 137 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38