#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 0.66 -1.52 0.00 0.00 -1.26 -4.28 117.12 110.72 1bsh n MET 2 Ca 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 57.70 57.94 1bsh n MET 2 Cb 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 33.22 31.43 1bsh n MET 2 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1bsh n THR 3 N 1.96 -4.88 -0.69 1.12 -1.04 -1.26 -5.04 114.28 104.45 1bsh n THR 3 Ca 0.19 2.16 0.00 0.00 -2.04 0.00 0.00 64.05 64.36 1bsh n THR 3 Cb 0.15 -3.00 0.00 0.00 -1.82 0.00 0.00 70.33 65.66 1bsh n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bsh n TYR 4 N 0.31 0.00 -3.95 -1.42 4.11 0.03 -4.89 117.16 111.35 1bsh n TYR 4 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.80 1bsh n TYR 4 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.23 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 2.37 0.20 -0.12 -3.48 5.65 -1.24 0.19 115.29 118.86 1bsh s HIS 5 Ca 0.00 -0.42 -0.00 0.00 0.25 0.00 0.00 55.06 54.89 1bsh s HIS 5 Cb 0.00 -0.15 -0.02 0.00 -1.18 0.00 0.00 32.58 31.23 1bsh s HIS 5 CO 0.00 -0.22 -0.10 -1.17 -0.65 0.00 0.00 174.74 172.60 1bsh s LEU 6 N -1.44 2.89 -0.53 8.88 1.98 0.86 -1.23 118.68 130.09 1bsh s LEU 6 Ca -0.16 -0.23 0.06 0.00 -2.89 0.00 0.00 54.13 50.91 1bsh s LEU 6 Cb -0.09 -1.65 0.23 0.00 0.66 0.00 0.00 46.19 45.33 1bsh s LEU 6 CO -0.00 0.21 0.59 -0.67 -1.89 0.00 0.00 176.35 174.58 1bsh n ASP 7 N 3.26 1.85 -4.36 3.68 -0.08 0.35 -2.24 116.55 119.01 1bsh n ASP 7 Ca -0.18 -3.01 -0.36 0.00 -1.51 0.00 0.00 54.79 49.73 1bsh n ASP 7 Cb 0.53 -0.66 -0.13 0.00 2.34 0.00 0.00 41.12 43.20 1bsh n ASP 7 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1bsh s VAL 8 N -1.58 3.83 0.16 5.18 0.11 -0.53 -1.41 120.40 126.17 1bsh s VAL 8 Ca 0.35 -0.47 0.06 0.00 -2.93 0.00 0.00 61.98 58.99 1bsh s VAL 8 Cb 0.12 -2.84 -0.04 0.00 -1.53 0.00 0.00 36.38 32.08 1bsh s VAL 8 CO -0.09 0.28 -0.12 0.68 -3.33 0.00 0.00 175.10 172.52 1bsh s VAL 9 N 1.52 1.37 0.40 2.04 -7.23 -1.05 -2.08 120.40 115.38 1bsh s VAL 9 Ca 0.05 -2.09 0.07 0.00 -1.81 0.00 0.00 61.98 58.21 1bsh s VAL 9 Cb -0.16 -1.89 -0.05 0.00 0.56 0.00 0.00 36.38 34.85 1bsh s VAL 9 CO 0.01 -0.67 0.19 -0.44 -0.31 0.00 0.00 175.10 173.88 1bsh s SER 10 N -3.16 4.50 -0.11 4.85 0.01 0.02 -1.98 113.70 117.83 1bsh s SER 10 Ca 0.18 -1.02 -0.34 0.00 1.31 0.00 0.00 55.95 56.09 1bsh s SER 10 Cb 0.01 -0.51 -0.11 0.00 0.21 0.00 0.00 66.02 65.62 1bsh s SER 10 CO 0.03 -0.53 1.93 0.00 0.41 0.00 0.00 173.24 175.08 1bsh n ALA 11 N -1.25 0.99 -3.59 1.44 0.00 -1.03 -0.96 120.51 116.12 1bsh n ALA 11 Ca -0.01 0.23 -0.22 0.00 0.00 0.00 0.00 53.44 53.44 1bsh n ALA 11 Cb 0.64 -2.54 0.07 0.00 0.00 0.00 0.00 19.45 17.62 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 6.96 -7.06 -3.59 0.00 1.02 -1.26 -4.95 120.64 111.76 1bsh n GLU 12 Ca 0.24 0.80 0.02 0.00 -0.02 0.00 0.00 57.16 58.19 1bsh n GLU 12 Cb 0.31 -5.79 -0.00 0.00 -0.02 0.00 0.00 31.44 25.94 1bsh n GLU 12 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1bsh s GLN 13 N -6.02 0.19 0.29 3.49 0.74 -0.13 -5.19 119.66 113.03 1bsh s GLN 13 Ca 0.36 -0.10 -0.06 0.00 0.05 0.00 0.00 55.36 55.61 1bsh s GLN 13 Cb -0.16 0.07 -0.01 0.00 1.10 0.00 0.00 33.01 34.01 1bsh s GLN 13 CO 0.75 -0.09 0.42 1.14 -0.55 0.00 0.00 175.29 176.96 1bsh s GLN 14 N -2.21 1.68 0.00 1.67 -2.07 -1.26 -0.80 119.66 116.67 1bsh s GLN 14 Ca 0.14 -1.57 0.00 0.00 -1.82 0.00 0.00 55.36 52.11 1bsh s GLN 14 Cb 0.05 0.42 0.00 0.00 -1.09 0.00 0.00 33.01 32.40 1bsh s GLN 14 CO -0.05 -0.68 0.00 -1.33 -1.32 0.00 0.00 175.29 171.91 1bsh n MET 15 N -0.46 0.00 -3.78 9.60 2.81 -0.89 -4.74 117.12 119.67 1bsh n MET 15 Ca 0.00 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.52 1bsh n MET 15 Cb 0.62 0.00 -0.13 0.00 -0.71 0.00 0.00 33.22 33.01 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 -0.46 3.18 -0.38 2.03 2.19 -1.12 -4.99 117.98 118.43 1bsh s PHE 16 Ca 0.00 -1.20 0.01 0.00 0.33 0.00 0.00 56.93 56.06 1bsh s PHE 16 Cb 0.00 -2.24 0.14 0.00 -1.31 0.00 0.00 43.02 39.60 1bsh s PHE 16 CO 0.00 -0.65 0.21 -1.54 1.83 0.00 0.00 175.22 175.08 1bsh s SER 17 N 1.45 3.24 0.00 6.13 1.04 -1.15 -1.45 113.70 122.95 1bsh s SER 17 Ca 0.01 -2.28 0.00 0.00 0.48 0.00 0.00 55.95 54.16 1bsh s SER 17 Cb -0.18 -0.62 0.00 0.00 0.10 0.00 0.00 66.02 65.33 1bsh s SER 17 CO 0.02 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.55 1bsh n GLY 18 N 3.95 -0.54 0.00 7.32 0.00 -0.95 -4.98 105.19 109.99 1bsh n GLY 18 Ca 0.10 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1bsh n GLY 18 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1bsh n LEU 19 N 0.00 0.00 0.00 0.99 -0.00 -1.26 -0.10 117.00 116.63 1bsh n LEU 19 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1bsh n LEU 19 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1bsh n LEU 19 CO 0.00 -0.49 0.00 0.55 -0.00 0.00 0.00 177.39 177.45 1bsh n VAL 20 N -1.21 0.00 0.00 1.47 3.14 0.50 -3.54 118.33 118.68 1bsh n VAL 20 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1bsh n VAL 20 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1bsh n VAL 20 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1bsh n GLU 21 N -0.38 0.00 -3.33 1.45 2.13 -0.23 -0.79 120.64 119.48 1bsh n GLU 21 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 1bsh n GLU 21 Cb 0.00 -0.90 -0.03 0.00 0.27 0.00 0.00 31.44 30.78 1bsh n GLU 21 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1bsh s LYS 22 N -1.81 0.56 0.00 5.31 2.20 -1.16 -4.66 119.74 120.17 1bsh s LYS 22 Ca 0.00 1.14 0.00 0.00 -0.36 0.00 0.00 55.97 56.75 1bsh s LYS 22 Cb 0.00 0.61 0.00 0.00 -1.51 0.00 0.00 37.83 36.93 1bsh s LYS 22 CO 0.00 -0.48 0.00 0.44 -0.36 0.00 0.00 175.35 174.95 1bsh n ILE 23 N 5.43 0.00 -3.04 5.43 -5.35 -1.10 -0.16 119.36 120.57 1bsh n ILE 23 Ca -0.05 0.00 0.05 0.00 -0.27 0.00 0.00 62.75 62.48 1bsh n ILE 23 Cb 0.50 -1.06 0.00 0.00 -1.74 0.00 0.00 39.64 37.35 1bsh n ILE 23 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1bsh s GLN 24 N 0.68 0.01 -0.10 6.28 0.74 0.17 -4.17 119.66 123.27 1bsh s GLN 24 Ca 0.00 0.00 -0.08 0.00 0.05 0.00 0.00 55.36 55.34 1bsh s GLN 24 Cb 0.00 0.00 -0.04 0.00 1.10 0.00 0.00 33.01 34.07 1bsh s GLN 24 CO 0.00 -0.01 0.17 0.54 -0.55 0.00 0.00 175.29 175.44 1bsh s VAL 25 N 2.77 5.45 -0.27 1.34 0.11 -1.25 -1.33 120.40 127.22 1bsh s VAL 25 Ca 0.29 0.25 -0.01 0.00 -2.93 0.00 0.00 61.98 59.58 1bsh s VAL 25 Cb 0.02 -3.44 0.09 0.00 -1.53 0.00 0.00 36.38 31.51 1bsh s VAL 25 CO -0.21 0.59 0.07 -0.89 -3.33 0.00 0.00 175.10 171.33 1bsh s THR 26 N -1.06 0.85 0.00 5.04 2.01 -0.84 -3.74 115.64 117.91 1bsh s THR 26 Ca 0.17 -1.17 0.00 0.00 0.31 0.00 0.00 61.69 61.00 1bsh s THR 26 Cb -0.13 -1.52 0.00 0.00 0.01 0.00 0.00 72.50 70.87 1bsh s THR 26 CO 0.06 -0.50 0.00 0.61 -0.69 0.00 0.00 174.62 174.10 1bsh n GLY 27 N 4.88 0.00 0.00 4.40 0.00 -1.26 -2.74 105.19 110.47 1bsh n GLY 27 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1bsh n GLY 27 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bsh n SER 28 N -2.47 0.00 -4.68 1.61 7.64 -1.26 -4.79 113.62 109.67 1bsh n SER 28 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 1bsh n SER 28 Cb 0.17 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.32 1bsh n SER 28 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1bsh s GLU 29 N 0.00 4.31 0.00 1.43 2.02 -1.26 -4.13 118.70 121.07 1bsh s GLU 29 Ca 0.00 0.84 0.00 0.00 0.02 0.00 0.00 54.97 55.83 1bsh s GLU 29 Cb 0.00 -3.54 0.00 0.00 0.10 0.00 0.00 34.13 30.69 1bsh s GLU 29 CO 0.00 -0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.50 1bsh n GLY 30 N 3.47 2.03 2.41 -1.39 0.00 -1.26 -4.61 105.19 105.83 1bsh n GLY 30 Ca 0.01 -0.28 -0.16 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 -1.44 -4.32 1.61 1.02 -1.26 -4.93 120.64 111.32 1bsh n GLU 31 Ca 0.00 1.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.97 1bsh n GLU 31 Cb 0.00 -5.32 -0.10 0.00 -0.02 0.00 0.00 31.44 26.00 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 -4.00 2.52 0.00 -4.62 1.43 -1.25 -4.89 118.68 107.87 1bsh s LEU 32 Ca 0.00 -1.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.06 1bsh s LEU 32 Cb 0.00 -0.55 0.00 0.00 0.03 0.00 0.00 46.19 45.67 1bsh s LEU 32 CO 0.00 -0.25 0.00 0.61 0.23 0.00 0.00 176.35 176.94 1bsh n GLY 33 N -0.35 0.27 3.39 -3.19 0.00 -1.26 -3.79 105.19 100.26 1bsh n GLY 33 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 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 2.21 0.03 0.11 -0.61 -1.09 -1.26 -4.81 121.20 115.78 1bsh s ILE 34 Ca 0.00 -0.21 -0.02 0.00 -2.23 0.00 0.00 60.65 58.19 1bsh s ILE 34 Cb 0.00 -0.81 0.01 0.00 -1.58 0.00 0.00 42.46 40.08 1bsh s ILE 34 CO 0.00 -0.11 0.18 -1.22 -1.23 0.00 0.00 174.94 172.56 1bsh n TYR 35 N 1.22 -1.01 -2.50 3.97 4.02 -1.26 -2.73 117.16 118.87 1bsh n TYR 35 Ca -0.20 -0.63 -0.41 0.00 -0.01 0.00 0.00 57.90 56.65 1bsh n TYR 35 Cb 0.56 0.21 -0.01 0.00 -0.02 0.00 0.00 39.34 40.08 1bsh n TYR 35 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1bsh s PRO 36 N -2.15 3.72 0.00 -0.72 0.04 -1.26 -3.09 135.00 131.54 1bsh s PRO 36 Ca 0.07 -1.77 0.00 0.00 0.04 0.00 0.00 61.00 59.34 1bsh s PRO 36 Cb -0.01 -5.47 0.00 0.00 0.04 0.00 0.00 34.50 29.06 1bsh s PRO 36 CO 0.05 -2.51 0.00 0.41 0.04 0.00 0.00 177.00 174.99 1bsh n GLY 37 N 5.63 1.70 3.69 0.56 0.00 -1.26 -4.73 105.19 110.77 1bsh n GLY 37 Ca 0.47 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.09 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 1.84 -0.59 1.61 -0.00 -1.18 -4.93 115.22 111.97 1bsh n HIS 38 Ca 0.00 0.47 -0.22 0.00 0.46 0.00 0.00 57.72 58.44 1bsh n HIS 38 Cb 0.00 -2.31 0.14 0.00 -0.12 0.00 0.00 29.99 27.70 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 -0.75 -1.60 -2.47 1.57 0.00 -1.26 -4.74 120.51 111.25 1bsh n ALA 39 Ca 0.09 -1.08 -0.39 0.00 0.00 0.00 0.00 53.44 52.06 1bsh n ALA 39 Cb 0.42 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 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 -3.31 3.48 -0.23 0.00 0.04 -1.26 -4.94 135.00 128.78 1bsh s PRO 40 Ca 0.39 -1.19 -0.10 0.00 0.04 0.00 0.00 61.00 60.13 1bsh s PRO 40 Cb -0.06 -5.35 -0.05 0.00 0.04 0.00 0.00 34.50 29.08 1bsh s PRO 40 CO 0.41 -2.46 0.15 -1.17 0.04 0.00 0.00 177.00 173.98 1bsh s LEU 41 N 5.78 4.12 -0.47 -3.56 1.98 -1.26 -5.00 118.68 120.26 1bsh s LEU 41 Ca 0.52 0.13 0.06 0.00 -2.89 0.00 0.00 54.13 51.95 1bsh s LEU 41 Cb -0.00 -2.10 0.22 0.00 0.66 0.00 0.00 46.19 44.98 1bsh s LEU 41 CO -0.04 0.09 0.73 0.18 -1.89 0.00 0.00 176.35 175.42 1bsh n LEU 42 N 4.10 -2.16 0.00 -0.68 4.77 -1.26 -2.70 117.00 119.08 1bsh n LEU 42 Ca -0.15 -3.62 0.00 0.00 -0.03 0.00 0.00 56.01 52.21 1bsh n LEU 42 Cb 0.52 0.75 0.00 0.00 -2.33 0.00 0.00 43.42 42.36 1bsh n LEU 42 CO 0.35 1.99 0.00 0.35 -1.33 0.00 0.00 177.39 178.75 1bsh n THR 43 N 1.99 0.00 -2.97 -5.08 -2.24 -1.17 -5.04 114.28 99.77 1bsh n THR 43 Ca 0.15 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.90 1bsh n THR 43 Cb 0.58 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.82 1bsh n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bsh n ALA 44 N -3.00 0.18 -2.39 6.98 0.00 -1.26 -2.39 120.51 118.62 1bsh n ALA 44 Ca 0.00 -0.31 -0.20 0.00 0.00 0.00 0.00 53.44 52.93 1bsh n ALA 44 Cb 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.44 1bsh n ALA 44 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bsh s ILE 45 N 0.42 0.65 0.43 0.00 1.01 0.44 -4.38 121.20 119.77 1bsh s ILE 45 Ca 0.09 -2.00 0.04 0.00 0.00 0.00 0.00 60.65 58.78 1bsh s ILE 45 Cb -0.01 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 1bsh s ILE 45 CO 0.06 0.00 0.04 -0.54 0.00 0.00 0.00 174.94 174.50 1bsh s LYS 46 N -3.88 1.97 0.34 2.79 3.01 -1.26 -4.24 119.74 118.47 1bsh s LYS 46 Ca 0.34 -2.18 -0.26 0.00 -1.01 0.00 0.00 55.97 52.86 1bsh s LYS 46 Cb 0.06 -1.26 -0.09 0.00 -1.01 0.00 0.00 37.83 35.53 1bsh s LYS 46 CO 0.15 -0.26 1.00 -1.25 0.51 0.00 0.00 175.35 175.51 1bsh s PRO 47 N -3.80 4.44 0.00 -1.68 0.04 0.15 -4.40 135.00 129.75 1bsh s PRO 47 Ca 0.23 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1bsh s PRO 47 Cb 0.06 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.82 1bsh s PRO 47 CO 0.12 0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.69 1bsh n GLY 48 N 0.60 -0.53 3.02 0.56 0.00 -1.11 -4.13 105.19 103.60 1bsh n GLY 48 Ca 0.03 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.96 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 0.87 -3.42 1.61 0.00 -1.11 -2.92 117.12 112.15 1bsh n MET 49 Ca 0.00 -2.78 0.01 0.00 0.00 0.00 0.00 57.70 54.94 1bsh n MET 49 Cb 0.00 0.37 -0.03 0.00 0.00 0.00 0.00 33.22 33.56 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 -2.22 -0.99 0.18 3.17 1.10 -0.94 -1.98 121.20 119.52 1bsh s ILE 50 Ca 0.21 0.00 0.07 0.00 -0.51 0.00 0.00 60.65 60.42 1bsh s ILE 50 Cb -0.02 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.55 1bsh s ILE 50 CO 0.13 0.00 0.02 -0.60 -2.11 0.00 0.00 174.94 172.38 1bsh s ARG 51 N 2.88 2.47 0.26 3.50 3.52 -0.44 -1.79 118.95 129.34 1bsh s ARG 51 Ca 0.06 -1.09 -0.15 0.00 -0.13 0.00 0.00 55.73 54.42 1bsh s ARG 51 Cb -0.13 -2.39 0.00 0.00 -1.56 0.00 0.00 34.95 30.87 1bsh s ARG 51 CO -0.20 0.46 0.57 0.42 -0.81 0.00 0.00 175.30 175.73 1bsh s ILE 52 N -1.75 0.00 -0.19 4.11 1.01 -0.92 0.41 121.20 123.87 1bsh s ILE 52 Ca 0.28 -1.27 -0.02 0.00 0.00 0.00 0.00 60.65 59.64 1bsh s ILE 52 Cb -0.09 -2.16 0.06 0.00 0.01 0.00 0.00 42.46 40.28 1bsh s ILE 52 CO 0.19 0.00 0.01 -0.69 0.00 0.00 0.00 174.94 174.45 1bsh s VAL 53 N -3.94 0.76 -0.37 2.92 1.01 0.78 -2.68 120.40 118.87 1bsh s VAL 53 Ca 0.19 -0.64 -0.27 0.00 0.00 0.00 0.00 61.98 61.26 1bsh s VAL 53 Cb -0.03 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 1bsh s VAL 53 CO 0.09 -0.12 2.16 -0.75 0.00 0.00 0.00 175.10 176.48 1bsh s LYS 54 N 1.76 2.78 0.08 2.72 2.20 -0.19 -1.07 119.74 128.02 1bsh s LYS 54 Ca -0.01 1.56 0.00 0.00 -0.36 0.00 0.00 55.97 57.16 1bsh s LYS 54 Cb -0.17 -4.41 0.00 0.00 -1.51 0.00 0.00 37.83 31.74 1bsh s LYS 54 CO -0.07 -2.51 0.00 0.94 -0.36 0.00 0.00 175.35 173.35 1bsh n GLN 55 N 8.83 0.00 -3.12 4.03 7.27 -1.26 -2.66 117.38 130.47 1bsh n GLN 55 Ca 0.30 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 57.22 1bsh n GLN 55 Cb 0.49 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.09 1bsh n GLN 55 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1bsh s HIS 56 N 0.00 -0.34 0.00 3.69 5.04 -1.26 -4.45 115.29 117.97 1bsh s HIS 56 Ca 0.00 -1.29 0.00 0.00 -1.54 0.00 0.00 55.06 52.23 1bsh s HIS 56 Cb 0.00 -0.29 0.00 0.00 0.04 0.00 0.00 32.58 32.33 1bsh s HIS 56 CO 0.00 -1.05 0.00 0.41 -2.34 0.00 0.00 174.74 171.76 1bsh n GLY 57 N 3.14 -1.79 3.94 1.59 0.00 -1.09 -5.15 105.19 105.84 1bsh n GLY 57 Ca 0.22 0.79 -0.25 0.00 0.00 0.00 0.00 46.02 46.77 1bsh n GLY 57 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1bsh s HIS 58 N 0.00 2.74 0.27 1.61 5.65 -1.26 -4.89 115.29 119.41 1bsh s HIS 58 Ca 0.00 0.33 0.07 0.00 0.25 0.00 0.00 55.06 55.71 1bsh s HIS 58 Cb 0.00 -3.19 -0.06 0.00 -1.18 0.00 0.00 32.58 28.16 1bsh s HIS 58 CO 0.00 -1.45 -0.07 -1.21 -0.65 0.00 0.00 174.74 171.36 1bsh s GLU 59 N -5.22 1.54 -0.08 2.88 2.02 -1.26 -1.02 118.70 117.55 1bsh s GLU 59 Ca 0.61 -1.77 0.04 0.00 0.02 0.00 0.00 54.97 53.87 1bsh s GLU 59 Cb -0.10 -1.18 0.00 0.00 0.10 0.00 0.00 34.13 32.95 1bsh s GLU 59 CO 0.44 0.07 -0.21 -1.21 0.02 0.00 0.00 175.26 174.37 1bsh s GLU 60 N -3.71 2.59 -0.13 1.61 2.02 -1.09 -4.83 118.70 115.15 1bsh s GLU 60 Ca 0.29 -0.74 -0.03 0.00 0.02 0.00 0.00 54.97 54.51 1bsh s GLU 60 Cb 0.03 -2.01 -0.03 0.00 0.10 0.00 0.00 34.13 32.22 1bsh s GLU 60 CO 0.12 0.16 -0.03 -0.06 0.02 0.00 0.00 175.26 175.46 1bsh s PHE 61 N 0.38 3.04 0.34 1.61 0.40 -1.26 -2.17 117.98 120.31 1bsh s PHE 61 Ca -0.16 -0.17 -0.04 0.00 -0.60 0.00 0.00 56.93 55.96 1bsh s PHE 61 Cb -0.17 -1.90 0.02 0.00 0.51 0.00 0.00 43.02 41.48 1bsh s PHE 61 CO 0.07 0.10 0.51 -0.89 0.70 0.00 0.00 175.22 175.71 1bsh n ILE 62 N 3.14 0.00 -3.50 0.64 5.41 -0.74 -2.09 119.36 122.22 1bsh n ILE 62 Ca -0.18 -1.54 -0.16 0.00 1.00 0.00 0.00 62.75 61.87 1bsh n ILE 62 Cb 0.53 1.01 -0.05 0.00 -0.71 0.00 0.00 39.64 40.42 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 -2.98 -0.62 0.16 1.39 6.14 -0.63 -2.21 117.35 118.62 1bsh s TYR 63 Ca 0.25 0.90 0.00 0.00 0.64 0.00 0.00 57.07 58.86 1bsh s TYR 63 Cb -0.02 0.44 0.00 0.00 0.42 0.00 0.00 41.96 42.81 1bsh s TYR 63 CO 0.18 -0.67 0.21 1.47 0.64 0.00 0.00 175.55 177.38 1bsh n LEU 64 N 0.57 0.00 0.00 6.97 -0.00 -1.15 -1.90 117.00 121.50 1bsh n LEU 64 Ca -0.19 -1.38 0.00 0.00 -0.00 0.00 0.00 56.01 54.45 1bsh n LEU 64 Cb 0.59 1.12 0.00 0.00 -0.00 0.00 0.00 43.42 45.13 1bsh n LEU 64 CO 0.21 -0.30 -0.15 -0.24 -0.00 0.00 0.00 177.39 176.91 1bsh n SER 65 N -1.99 0.13 -3.72 1.45 2.88 -1.19 -2.76 113.62 108.41 1bsh n SER 65 Ca 0.01 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.45 1bsh n SER 65 Cb 0.28 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.70 1bsh n SER 65 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1bsh s GLY 66 N -4.83 -0.12 0.00 0.46 0.00 -1.26 0.33 107.32 101.90 1bsh s GLY 66 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.53 1bsh s GLY 66 CO 0.00 -0.26 0.00 0.61 0.00 0.00 0.00 173.10 173.45 1bsh n GLY 67 N -0.33 -1.38 3.46 0.20 0.00 -1.26 -3.38 105.19 102.50 1bsh n GLY 67 Ca -0.11 -1.36 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 1bsh n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bsh s ILE 68 N -2.57 3.54 -0.06 -0.61 1.09 -0.23 -0.42 121.20 121.94 1bsh s ILE 68 Ca 0.00 -0.49 0.04 0.00 -1.10 0.00 0.00 60.65 59.10 1bsh s ILE 68 Cb 0.00 -2.52 -0.02 0.00 -1.06 0.00 0.00 42.46 38.86 1bsh s ILE 68 CO 0.00 0.52 -0.17 -0.22 -0.10 0.00 0.00 174.94 174.97 1bsh s LEU 69 N 0.20 2.54 -0.06 2.97 0.20 -1.01 -1.30 118.68 122.23 1bsh s LEU 69 Ca -0.05 -0.30 -0.09 0.00 0.69 0.00 0.00 54.13 54.39 1bsh s LEU 69 Cb -0.14 -1.51 0.02 0.00 -0.43 0.00 0.00 46.19 44.13 1bsh s LEU 69 CO 0.04 0.30 0.22 -1.83 -0.29 0.00 0.00 176.35 174.78 1bsh s GLU 70 N -0.44 0.36 0.01 1.98 -1.05 -1.09 -3.05 118.70 115.42 1bsh s GLU 70 Ca 0.05 0.11 -0.03 0.00 -0.15 0.00 0.00 54.97 54.95 1bsh s GLU 70 Cb -0.12 0.16 -0.04 0.00 -0.44 0.00 0.00 34.13 33.69 1bsh s GLU 70 CO 0.02 -0.07 0.20 0.54 0.95 0.00 0.00 175.26 176.90 1bsh s VAL 71 N -0.36 5.40 0.34 1.83 0.11 -1.10 -2.73 120.40 123.89 1bsh s VAL 71 Ca -0.05 -0.18 0.04 0.00 -2.93 0.00 0.00 61.98 58.87 1bsh s VAL 71 Cb -0.03 -3.57 -0.06 0.00 -1.53 0.00 0.00 36.38 31.19 1bsh s VAL 71 CO 0.01 0.28 0.05 -1.10 -3.33 0.00 0.00 175.10 171.01 1bsh s GLN 72 N -2.08 1.72 -1.30 1.54 -0.21 0.58 -4.95 119.66 114.95 1bsh s GLN 72 Ca 0.30 -1.96 -0.18 0.00 0.02 0.00 0.00 55.36 53.54 1bsh s GLN 72 Cb -0.13 -0.98 0.04 0.00 1.00 0.00 0.00 33.01 32.94 1bsh s GLN 72 CO 0.21 -0.18 1.86 -0.35 -2.12 0.00 0.00 175.29 174.71 1bsh n PRO 73 N -0.75 2.92 0.00 2.91 -0.04 -1.26 -3.29 135.00 135.50 1bsh n PRO 73 Ca -0.03 -3.02 0.00 0.00 -0.04 0.00 0.00 63.50 60.41 1bsh n PRO 73 Cb 0.67 -3.46 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 1bsh n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bsh n GLY 74 N 5.16 0.99 3.62 0.55 0.00 -1.26 -5.00 105.19 109.25 1bsh n GLY 74 Ca 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.35 -0.09 0.13 1.61 2.20 -1.21 -3.60 114.94 113.64 1bsh s ASN 75 Ca 0.00 -0.11 0.02 0.00 -0.94 0.00 0.00 52.86 51.83 1bsh s ASN 75 Cb 0.00 0.18 -0.04 0.00 -2.00 0.00 0.00 41.25 39.38 1bsh s ASN 75 CO 0.00 -0.31 -0.04 0.68 -2.94 0.00 0.00 177.10 174.49 1bsh s VAL 76 N -2.48 0.71 -0.22 3.54 -7.23 -0.36 -0.31 120.40 114.05 1bsh s VAL 76 Ca 0.12 -1.96 -0.18 0.00 -1.81 0.00 0.00 61.98 58.15 1bsh s VAL 76 Cb 0.03 -1.89 0.06 0.00 0.56 0.00 0.00 36.38 35.14 1bsh s VAL 76 CO -0.04 -0.68 0.57 -0.89 -0.31 0.00 0.00 175.10 173.75 1bsh s THR 77 N -3.62 -0.00 0.02 5.32 2.01 -1.11 -0.50 115.64 117.76 1bsh s THR 77 Ca 0.18 0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.20 1bsh s THR 77 Cb 0.05 -0.81 -0.02 0.00 0.01 0.00 0.00 72.50 71.73 1bsh s THR 77 CO -0.00 0.01 -0.04 0.68 -0.69 0.00 0.00 174.62 174.57 1bsh s VAL 78 N 0.70 0.20 -0.20 3.82 -7.23 -0.50 -2.66 120.40 114.54 1bsh s VAL 78 Ca -0.03 -0.81 -0.02 0.00 -1.81 0.00 0.00 61.98 59.31 1bsh s VAL 78 Cb -0.05 -0.31 0.00 0.00 0.56 0.00 0.00 36.38 36.58 1bsh s VAL 78 CO -0.05 -0.39 -0.11 -0.76 -0.31 0.00 0.00 175.10 173.49 1bsh s LEU 79 N -1.26 2.60 0.00 1.32 1.02 -0.42 -2.51 118.68 119.43 1bsh s LEU 79 Ca -0.12 -0.48 0.01 0.00 0.02 0.00 0.00 54.13 53.56 1bsh s LEU 79 Cb -0.08 -1.63 -0.00 0.00 0.02 0.00 0.00 46.19 44.49 1bsh s LEU 79 CO -0.01 0.00 0.03 0.00 0.02 0.00 0.00 176.35 176.40 1bsh n ALA 80 N 4.62 0.25 0.01 4.21 0.00 -0.84 -1.07 120.51 127.69 1bsh n ALA 80 Ca -0.19 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.10 1bsh n ALA 80 Cb 0.51 0.68 0.00 0.00 0.00 0.00 0.00 19.45 20.63 1bsh n ALA 80 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bsh n ASP 81 N -1.38 0.14 -4.68 0.00 9.92 -1.22 -2.45 116.55 116.88 1bsh n ASP 81 Ca -0.08 0.02 -0.36 0.00 -0.53 0.00 0.00 54.79 53.84 1bsh n ASP 81 Cb 0.33 -0.04 -0.09 0.00 -0.64 0.00 0.00 41.12 40.68 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 -2.00 5.33 0.03 -3.53 2.01 -1.26 -4.20 115.64 112.02 1bsh s THR 82 Ca 0.00 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.18 1bsh s THR 82 Cb 0.00 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.02 1bsh s THR 82 CO 0.00 0.38 -0.05 0.00 -0.69 0.00 0.00 174.62 174.26 1bsh s ALA 83 N 0.80 0.29 -0.08 7.40 0.00 -1.26 -3.19 121.76 125.72 1bsh s ALA 83 Ca 0.07 -0.67 -0.00 0.00 0.00 0.00 0.00 51.96 51.36 1bsh s ALA 83 Cb -0.13 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.13 1bsh s ALA 83 CO 0.02 -0.11 -0.04 0.42 0.00 0.00 0.00 175.76 176.05 1bsh s ILE 84 N -1.48 0.69 -0.94 0.00 1.01 -0.80 -4.96 121.20 114.73 1bsh s ILE 84 Ca -0.13 -0.11 -0.24 0.00 0.00 0.00 0.00 60.65 60.17 1bsh s ILE 84 Cb -0.10 -0.76 -0.02 0.00 0.01 0.00 0.00 42.46 41.60 1bsh s ILE 84 CO -0.01 0.30 1.80 -0.13 0.00 0.00 0.00 174.94 176.90 1bsh s ARG 85 N 1.60 2.87 3.66 2.79 0.52 -1.26 -1.60 118.95 127.53 1bsh s ARG 85 Ca 0.01 -0.55 0.00 0.00 -0.52 0.00 0.00 55.73 54.67 1bsh s ARG 85 Cb -0.13 -5.15 0.00 0.00 0.52 0.00 0.00 34.95 30.19 1bsh s ARG 85 CO -0.05 -3.02 0.00 0.41 0.02 0.00 0.00 175.30 172.66 1bsh n GLY 86 N 6.86 3.11 2.83 -3.53 0.00 -0.89 -1.20 105.19 112.37 1bsh n GLY 86 Ca 0.38 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 46.15 1bsh n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bsh n GLN 87 N 14.00 3.55 -0.01 1.61 0.00 -1.26 -4.66 117.38 130.60 1bsh n GLN 87 Ca 0.00 -3.89 -0.12 0.00 0.00 0.00 0.00 57.00 52.99 1bsh n GLN 87 Cb 0.00 -2.33 0.01 0.00 0.00 0.00 0.00 30.24 27.92 1bsh n GLN 87 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 1bsh h ASP 88 N 3.33 0.74 -5.46 2.61 1.82 -1.51 -3.46 116.42 114.49 1bsh h ASP 88 Ca 0.55 -0.42 -0.20 0.00 -0.39 0.00 0.00 57.03 56.56 1bsh h ASP 88 Cb 0.14 -0.21 -0.10 0.00 0.68 0.00 0.00 39.33 39.84 1bsh h ASP 88 CO 1.34 1.17 -0.26 -0.22 -1.61 0.00 0.00 179.24 179.66 1bsh s LEU 89 N -8.39 0.84 -1.45 2.28 0.20 -1.26 -4.91 118.68 105.99 1bsh s LEU 89 Ca -0.08 -1.30 -0.08 0.00 0.69 0.00 0.00 54.13 53.36 1bsh s LEU 89 Cb 0.10 1.31 0.05 0.00 -0.43 0.00 0.00 46.19 47.23 1bsh s LEU 89 CO 0.86 -1.15 0.85 0.47 -0.29 0.00 0.00 176.35 177.10 1bsh n ASP 90 N -0.85 -3.29 0.00 3.68 9.92 -1.26 -4.93 116.55 119.82 1bsh n ASP 90 Ca 0.01 -0.81 0.00 0.00 -0.53 0.00 0.00 54.79 53.46 1bsh n ASP 90 Cb 0.63 -3.89 0.00 0.00 -0.64 0.00 0.00 41.12 37.22 1bsh n ASP 90 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1bsh n GLU 91 N -4.53 0.00 0.00 -1.24 1.02 -1.26 -3.67 120.64 110.97 1bsh n GLU 91 Ca -0.10 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.14 1bsh n GLU 91 Cb 0.59 -0.54 0.47 0.00 -0.02 0.00 0.00 31.44 31.93 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 -0.64 1.99 1.24 0.62 0.00 -1.26 -2.37 120.51 120.09 1bsh n ALA 92 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.41 1bsh n ALA 92 Cb 0.00 -1.32 0.18 0.00 0.00 0.00 0.00 19.45 18.31 1bsh n ALA 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bsh n ARG 93 N -1.39 1.58 0.00 0.00 1.74 -1.26 -3.72 116.66 113.61 1bsh n ARG 93 Ca 0.07 -0.89 -0.18 0.00 -0.77 0.00 0.00 57.85 56.08 1bsh n ARG 93 Cb 0.19 -1.23 -0.14 0.00 -1.02 0.00 0.00 32.46 30.26 1bsh n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bsh n ALA 94 N 0.20 1.03 -0.27 7.54 0.00 -1.00 -3.65 120.51 124.35 1bsh n ALA 94 Ca 0.10 -0.63 -0.03 0.00 0.00 0.00 0.00 53.44 52.89 1bsh n ALA 94 Cb 0.22 -0.73 0.14 0.00 0.00 0.00 0.00 19.45 19.08 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 0.06 1.13 0.00 0.00 2.86 -1.78 -0.88 114.93 116.32 1bsh h MET 95 Ca -0.39 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 1bsh h MET 95 Cb 2.03 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 33.47 1bsh h MET 95 CO 0.09 0.84 0.00 0.93 1.06 0.00 0.00 176.91 179.83 1bsh h GLU 96 N 1.13 0.00 0.17 1.72 4.39 -1.74 -3.15 114.58 117.10 1bsh h GLU 96 Ca 0.28 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.97 1bsh h GLU 96 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1bsh h GLU 96 CO -0.04 0.00 -0.08 0.00 -1.16 0.00 0.00 179.01 177.72 1bsh h ALA 97 N 2.10 -0.23 0.00 3.43 0.00 -1.22 -1.85 119.26 121.48 1bsh h ALA 97 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1bsh h ALA 97 Cb 0.50 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1bsh h ALA 97 CO 0.00 -0.54 0.20 -0.22 0.00 0.00 0.00 179.25 178.69 1bsh h LYS 98 N -0.41 0.00 -0.05 0.00 3.64 -1.57 -0.66 116.57 117.53 1bsh h LYS 98 Ca -0.02 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 1bsh h LYS 98 Cb 0.32 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1bsh h LYS 98 CO 0.04 0.00 -0.37 0.00 -2.27 0.00 0.00 179.45 176.85 1bsh h ARG 99 N 0.00 0.34 0.00 1.90 3.08 -1.45 -0.81 114.38 117.44 1bsh h ARG 99 Ca 0.00 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1bsh h ARG 99 Cb 0.40 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1bsh h ARG 99 CO 0.00 0.96 0.00 0.87 -1.07 0.00 0.00 179.97 180.73 1bsh h LYS 100 N -0.18 0.00 0.00 0.04 1.57 -1.06 -3.12 116.57 113.81 1bsh h LYS 100 Ca -0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1bsh h LYS 100 Cb 1.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 1bsh h LYS 100 CO 0.08 0.00 -0.82 0.00 -0.57 0.00 0.00 179.45 178.14 1bsh h ALA 101 N 2.04 0.62 0.00 3.86 0.00 -1.18 -3.29 119.26 121.30 1bsh h ALA 101 Ca 0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1bsh h ALA 101 Cb 0.95 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1bsh h ALA 101 CO 0.00 0.11 -0.46 1.49 0.00 0.00 0.00 179.25 180.39 1bsh h GLU 102 N 0.00 0.00 -0.17 0.00 4.81 -1.07 -2.79 114.58 115.35 1bsh h GLU 102 Ca -0.02 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1bsh h GLU 102 Cb 1.07 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1bsh h GLU 102 CO 0.01 0.46 0.12 1.05 -0.73 0.00 0.00 179.01 179.91 1bsh h GLU 103 N 0.00 0.14 0.21 1.92 4.11 -1.63 0.26 114.58 119.59 1bsh h GLU 103 Ca -0.00 -0.01 -0.32 0.00 0.07 0.00 0.00 59.36 59.09 1bsh h GLU 103 Cb 0.92 -0.03 0.03 0.00 0.50 0.00 0.00 28.75 30.17 1bsh h GLU 103 CO 0.06 0.09 -1.51 0.45 0.07 0.00 0.00 179.01 178.17 1bsh h HIS 104 N 0.14 0.82 -0.20 2.06 3.86 -1.70 -3.24 115.15 116.90 1bsh h HIS 104 Ca 0.07 -0.60 0.00 0.00 -1.16 0.00 0.00 60.37 58.68 1bsh h HIS 104 Cb 0.12 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1bsh h HIS 104 CO -0.00 1.58 0.00 -0.89 0.86 0.00 0.00 177.93 179.48 1bsh n ILE 105 N -3.73 0.42 -3.85 2.45 5.41 -0.88 -4.68 119.36 114.50 1bsh n ILE 105 Ca -0.20 -0.32 -0.36 0.00 1.00 0.00 0.00 62.75 62.88 1bsh n ILE 105 Cb 1.06 -0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.85 1bsh n ILE 105 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1bsh s SER 106 N -0.80 4.66 0.00 4.38 0.01 0.86 -5.00 113.70 117.81 1bsh s SER 106 Ca 0.15 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.87 1bsh s SER 106 Cb 0.09 -1.79 0.00 0.00 0.21 0.00 0.00 66.02 64.52 1bsh s SER 106 CO 0.08 -0.09 0.00 -0.24 0.41 0.00 0.00 173.24 173.40 1bsh n SER 107 N 4.81 0.00 -0.17 2.44 2.88 -1.26 -4.91 113.62 117.41 1bsh n SER 107 Ca -0.17 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.40 1bsh n SER 107 Cb 0.49 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.95 1bsh n SER 107 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1bsh n SER 108 N -2.02 -1.03 -3.53 -3.46 2.88 -1.26 -4.84 113.62 100.35 1bsh n SER 108 Ca 0.00 0.10 -0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1bsh n SER 108 Cb 0.00 -0.54 -0.05 0.00 -0.75 0.00 0.00 64.21 62.86 1bsh n SER 108 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1bsh s HIS 109 N -1.82 -0.59 -0.11 0.66 -3.43 -1.26 -4.92 115.29 103.83 1bsh s HIS 109 Ca 0.00 1.10 -0.33 0.00 -0.80 0.00 0.00 55.06 55.03 1bsh s HIS 109 Cb 0.00 0.35 0.15 0.00 -1.43 0.00 0.00 32.58 31.65 1bsh s HIS 109 CO 0.00 -0.29 1.43 0.20 -2.00 0.00 0.00 174.74 174.08 1bsh s GLY 110 N 1.82 -0.48 0.16 -1.38 0.00 -1.26 -4.85 107.32 101.33 1bsh s GLY 110 Ca -0.06 1.03 -0.10 0.00 0.00 0.00 0.00 44.72 45.59 1bsh s GLY 110 CO -0.16 0.21 1.58 -0.55 0.00 0.00 0.00 173.10 174.18 1bsh h ASP 111 N 2.00 1.02 0.00 1.64 3.32 -2.01 -3.35 116.42 119.04 1bsh h ASP 111 Ca -0.31 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.37 1bsh h ASP 111 Cb 1.19 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1bsh h ASP 111 CO 0.29 1.15 0.00 1.33 -1.72 0.00 0.00 179.24 180.29 1bsh n VAL 112 N -4.15 0.00 0.00 -1.35 0.24 -1.26 -4.53 118.33 107.27 1bsh n VAL 112 Ca 0.01 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1bsh n VAL 112 Cb 0.42 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 1bsh n VAL 112 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1bsh n ASP 113 N -0.73 0.00 0.23 -1.34 9.92 -1.26 -1.05 116.55 122.32 1bsh n ASP 113 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.38 1bsh n ASP 113 Cb 0.00 0.00 0.34 0.00 -0.64 0.00 0.00 41.12 40.83 1bsh n ASP 113 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 1bsh h TYR 114 N 0.00 0.00 0.00 1.24 -0.00 -1.83 -2.86 116.97 113.52 1bsh h TYR 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1bsh h TYR 114 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 1bsh h TYR 114 CO 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 178.16 178.26 1bsh h ALA 115 N 1.90 1.00 -0.22 0.10 0.00 -1.74 -1.67 119.26 118.63 1bsh h ALA 115 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1bsh h ALA 115 Cb 0.87 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1bsh h ALA 115 CO 0.01 0.00 -0.47 1.96 0.00 0.00 0.00 179.25 180.76 1bsh h GLN 116 N 0.00 0.56 0.00 0.00 4.20 -0.84 -2.78 115.11 116.25 1bsh h GLN 116 Ca 0.00 -0.31 -0.06 0.00 0.06 0.00 0.00 58.65 58.33 1bsh h GLN 116 Cb 0.13 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1bsh h GLN 116 CO 0.00 0.91 -0.30 0.00 -0.67 0.00 0.00 178.83 178.77 1bsh h ALA 117 N 1.04 0.97 0.00 3.87 0.00 -1.49 -2.82 119.26 120.82 1bsh h ALA 117 Ca 0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1bsh h ALA 117 Cb 0.99 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1bsh h ALA 117 CO 0.09 0.38 -0.18 0.77 0.00 0.00 0.00 179.25 180.31 1bsh h SER 118 N 0.00 0.00 0.63 0.00 0.02 -1.45 0.05 113.55 112.79 1bsh h SER 118 Ca -0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.67 1bsh h SER 118 Cb 0.88 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 1bsh h SER 118 CO 0.04 0.18 -1.37 0.00 -1.14 0.00 0.00 176.83 174.54 1bsh h ALA 119 N 1.82 0.33 -0.00 3.77 0.00 -1.52 -3.22 119.26 120.44 1bsh h ALA 119 Ca -0.00 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 53.84 1bsh h ALA 119 Cb 0.44 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1bsh h ALA 119 CO 0.02 1.20 -0.23 -0.85 0.00 0.00 0.00 179.25 179.39 1bsh n GLU 120 N -3.38 0.23 -0.06 0.00 -0.00 -0.99 -3.99 120.64 112.46 1bsh n GLU 120 Ca -0.11 -0.09 -0.03 0.00 -0.00 0.00 0.00 57.16 56.93 1bsh n GLU 120 Cb 1.01 -1.50 -0.02 0.00 -0.00 0.00 0.00 31.44 30.94 1bsh n GLU 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1bsh h LEU 121 N 0.22 0.00 -1.77 -1.84 6.46 -1.04 -3.33 115.31 114.01 1bsh h LEU 121 Ca 0.00 -0.07 0.30 0.00 -0.12 0.00 0.00 57.88 57.99 1bsh h LEU 121 Cb 0.46 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.35 1bsh h LEU 121 CO 0.00 0.66 0.90 0.00 -0.62 0.00 0.00 178.44 179.38 1bsh h ALA 122 N -0.93 2.92 0.11 1.25 0.00 -1.71 0.10 119.26 121.01 1bsh h ALA 122 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1bsh h ALA 122 Cb 0.29 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1bsh h ALA 122 CO -0.01 -1.44 -0.06 -0.22 0.00 0.00 0.00 179.25 177.52 1bsh h LYS 123 N 0.00 -0.16 0.00 0.00 3.64 -1.69 -1.25 116.57 117.11 1bsh h LYS 123 Ca 0.50 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 1bsh h LYS 123 Cb 2.30 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 34.16 1bsh h LYS 123 CO -0.01 -0.11 0.00 0.00 -2.27 0.00 0.00 179.45 177.07 1bsh n ALA 124 N -2.17 1.72 0.99 5.00 0.00 0.33 -2.17 120.51 124.20 1bsh n ALA 124 Ca -0.08 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.43 1bsh n ALA 124 Cb 0.10 -1.26 0.57 0.00 0.00 0.00 0.00 19.45 18.85 1bsh n ALA 124 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1bsh n ILE 125 N -1.53 0.28 1.40 0.00 2.08 -0.47 -2.58 119.36 118.53 1bsh n ILE 125 Ca 0.04 0.07 0.14 0.00 0.56 0.00 0.00 62.75 63.55 1bsh n ILE 125 Cb 0.19 -0.65 0.50 0.00 -0.75 0.00 0.00 39.64 38.92 1bsh n ILE 125 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1bsh n ALA 126 N -1.41 2.82 0.03 -1.39 0.00 -0.92 -3.32 120.51 116.33 1bsh n ALA 126 Ca 0.08 -0.39 -0.19 0.00 0.00 0.00 0.00 53.44 52.94 1bsh n ALA 126 Cb 0.25 -1.20 -0.14 0.00 0.00 0.00 0.00 19.45 18.36 1bsh n ALA 126 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1bsh h GLN 127 N 1.47 0.27 0.00 0.00 4.20 -1.70 -3.33 115.11 116.02 1bsh h GLN 127 Ca 0.00 -0.46 -0.10 0.00 0.06 0.00 0.00 58.65 58.15 1bsh h GLN 127 Cb 0.45 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1bsh h GLN 127 CO 0.00 1.14 -0.56 1.25 -0.67 0.00 0.00 178.83 179.99 1bsh h LEU 128 N 0.07 0.00 -0.55 1.46 5.85 -1.72 -3.29 115.31 117.13 1bsh h LEU 128 Ca -0.35 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 1bsh h LEU 128 Cb 2.05 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 43.05 1bsh h LEU 128 CO 0.13 0.45 0.26 0.03 -0.34 0.00 0.00 178.44 178.97 1bsh h ARG 129 N 0.00 0.80 0.00 1.25 2.47 -1.68 -0.67 114.38 116.55 1bsh h ARG 129 Ca -0.02 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 1bsh h ARG 129 Cb 1.36 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 1bsh h ARG 129 CO 0.06 0.66 0.00 1.33 0.56 0.00 0.00 179.97 182.58 1bsh n VAL 130 N -4.55 1.13 -0.09 2.04 0.24 -1.24 -1.88 118.33 113.99 1bsh n VAL 130 Ca 0.03 0.28 -0.12 0.00 -2.04 0.00 0.00 64.34 62.50 1bsh n VAL 130 Cb 0.13 -1.07 -0.05 0.00 -1.47 0.00 0.00 33.84 31.38 1bsh n VAL 130 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1bsh n ILE 131 N -1.50 1.46 0.47 1.34 5.41 -0.34 -3.30 119.36 122.90 1bsh n ILE 131 Ca 0.03 0.11 0.06 0.00 1.00 0.00 0.00 62.75 63.95 1bsh n ILE 131 Cb 0.15 -2.25 0.28 0.00 -0.71 0.00 0.00 39.64 37.10 1bsh n ILE 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1bsh n GLU 132 N -4.54 0.04 -0.08 0.38 -0.58 -0.73 -2.67 120.64 112.46 1bsh n GLU 132 Ca -0.18 0.26 -0.20 0.00 -0.42 0.00 0.00 57.16 56.62 1bsh n GLU 132 Cb 0.44 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.69 1bsh n GLU 132 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1bsh h LEU 133 N 0.00 0.07 0.00 -4.62 4.07 -1.52 -3.32 115.31 109.99 1bsh h LEU 133 Ca 0.00 -0.66 0.00 0.00 0.08 0.00 0.00 57.88 57.30 1bsh h LEU 133 Cb 0.20 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.92 1bsh h LEU 133 CO 0.00 1.44 0.00 1.07 -1.08 0.00 0.00 178.44 179.87 1bsh n THR 134 N -4.35 0.83 0.09 0.22 5.66 -1.14 -3.27 114.28 112.32 1bsh n THR 134 Ca -0.27 0.21 -0.12 0.00 -3.05 0.00 0.00 64.05 60.81 1bsh n THR 134 Cb 0.69 -0.98 -0.05 0.00 -1.55 0.00 0.00 70.33 68.44 1bsh n THR 134 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1bsh h LYS 135 N 0.00 -0.38 0.00 1.09 1.79 -1.61 -2.26 116.57 115.20 1bsh h LYS 135 Ca 0.00 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1bsh h LYS 135 Cb 0.17 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1bsh h LYS 135 CO 0.00 -0.25 -0.48 1.63 -1.08 0.00 0.00 179.45 179.27 1bsh n LYS 136 N -5.35 0.16 -0.35 3.15 5.02 -1.20 -3.96 118.16 115.63 1bsh n LYS 136 Ca -0.06 0.06 0.24 0.00 -2.02 0.00 0.00 58.31 56.53 1bsh n LYS 136 Cb 0.26 -1.61 0.50 0.00 -0.02 0.00 0.00 35.03 34.16 1bsh n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bsh h ALA 137 N 2.73 2.17 -0.01 7.82 0.00 -1.39 -3.53 119.26 127.04 1bsh h ALA 137 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1bsh h ALA 137 Cb 0.64 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1bsh h ALA 137 CO 0.00 -0.67 0.00 -1.33 0.00 0.00 0.00 179.25 177.25