#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bka h ALA 6 N 0.00 0.75 -0.31 4.31 0.00 -2.05 -1.51 119.26 120.45 2bka h ALA 6 Ca 0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 2bka h ALA 6 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2bka h ALA 6 CO 0.00 0.67 -0.31 1.25 0.00 0.00 0.00 179.25 180.86 2bka h LEU 7 N 0.45 0.67 -0.94 0.00 5.85 -2.01 -1.44 115.31 117.89 2bka h LEU 7 Ca 0.02 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 2bka h LEU 7 Cb 1.02 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 2bka h LEU 7 CO 0.09 0.94 0.26 -1.28 -0.34 0.00 0.00 178.44 178.12 2bka h SER 8 N 0.56 0.95 -0.50 1.25 0.87 -1.90 -0.77 113.55 114.00 2bka h SER 8 Ca 0.07 -0.14 -0.08 0.00 -1.23 0.00 0.00 61.79 60.41 2bka h SER 8 Cb 0.81 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 2bka h SER 8 CO 0.07 0.85 0.02 0.50 -0.53 0.00 0.00 176.83 177.74 2bka h LYS 9 N 1.00 0.88 -0.75 2.24 1.63 -0.85 -1.67 116.57 119.04 2bka h LYS 9 Ca 0.23 -0.27 -0.03 0.00 -0.85 0.00 0.00 60.65 59.73 2bka h LYS 9 Cb 0.21 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.73 2bka h LYS 9 CO -0.02 0.90 0.35 -0.07 -3.45 0.00 0.00 179.45 177.16 2bka h LEU 10 N 0.74 0.99 -0.58 5.20 3.38 -0.76 -1.32 115.31 122.96 2bka h LEU 10 Ca 0.15 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2bka h LEU 10 Cb 0.49 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2bka h LEU 10 CO 0.02 0.85 0.19 0.03 0.09 0.00 0.00 178.44 179.62 2bka h ARG 11 N 1.05 0.90 -0.25 1.13 3.08 -0.92 -0.51 114.38 118.87 2bka h ARG 11 Ca 0.26 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2bka h ARG 11 Cb 0.13 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2bka h ARG 11 CO -0.03 0.81 0.13 0.93 -1.07 0.00 0.00 179.97 180.73 2bka h GLU 12 N 0.82 0.35 -0.93 0.04 5.08 -0.98 -0.51 114.58 118.46 2bka h GLU 12 Ca 0.19 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 2bka h GLU 12 Cb 0.28 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 2bka h GLU 12 CO -0.01 0.34 0.60 -0.44 -1.00 0.00 0.00 179.01 178.50 2bka h ASP 13 N 0.27 0.97 -0.63 1.42 3.45 -1.07 -1.99 116.42 118.85 2bka h ASP 13 Ca 0.09 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.47 2bka h ASP 13 Cb 0.10 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.64 2bka h ASP 13 CO -0.01 0.65 0.09 0.15 -1.57 0.00 0.00 179.24 178.55 2bka h PHE 14 N 1.13 1.12 -0.22 4.55 3.57 -0.59 -2.50 116.94 123.99 2bka h PHE 14 Ca 0.39 -0.16 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 2bka h PHE 14 Cb 0.08 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 2bka h PHE 14 CO -0.01 0.95 -0.06 0.00 -2.23 0.00 0.00 178.31 176.96 2bka h ARG 15 N 0.96 0.35 0.00 1.11 3.08 -0.48 -1.32 114.38 118.07 2bka h ARG 15 Ca 0.19 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2bka h ARG 15 Cb 0.45 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.44 2bka h ARG 15 CO 0.01 0.43 0.00 -1.33 -1.07 0.00 0.00 179.97 178.01 2bka n MET 16 N -4.29 0.16 0.00 0.04 2.81 -0.81 -2.46 117.12 112.57 2bka n MET 16 Ca 0.00 0.36 0.14 0.00 -1.81 0.00 0.00 57.70 56.39 2bka n MET 16 Cb 0.25 -1.79 0.62 0.00 -0.71 0.00 0.00 33.22 31.59 2bka n MET 16 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2bka n GLN 17 N -2.08 0.28 -3.68 0.03 6.02 -0.50 -4.95 117.38 112.49 2bka n GLN 17 Ca 0.03 -0.05 -0.23 0.00 -0.01 0.00 0.00 57.00 56.74 2bka n GLN 17 Cb 0.24 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.03 2bka n GLN 17 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2bka n ASN 18 N -1.32 -2.07 -4.85 1.08 5.15 -1.03 -4.96 115.26 107.26 2bka n ASN 18 Ca 0.11 -0.86 -0.33 0.00 -0.60 0.00 0.00 54.58 52.90 2bka n ASN 18 Cb 0.30 -3.96 -0.06 0.00 -0.53 0.00 0.00 39.78 35.52 2bka n ASN 18 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2bka s LYS 19 N -5.91 3.96 0.16 1.20 -0.14 -1.26 -4.79 119.74 112.97 2bka s LYS 19 Ca 0.10 0.56 0.07 0.00 -1.36 0.00 0.00 55.97 55.34 2bka s LYS 19 Cb -0.03 -2.55 -0.04 0.00 -1.68 0.00 0.00 37.83 33.53 2bka s LYS 19 CO 0.82 0.24 0.02 -1.54 -0.76 0.00 0.00 175.35 174.12 2bka s SER 20 N -2.23 4.90 0.04 2.83 1.04 -1.26 -1.10 113.70 117.91 2bka s SER 20 Ca 0.51 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.63 2bka s SER 20 Cb -0.11 -1.09 -0.02 0.00 0.10 0.00 0.00 66.02 64.90 2bka s SER 20 CO 0.19 0.10 -0.08 0.54 0.98 0.00 0.00 173.24 174.96 2bka s VAL 21 N -1.68 0.61 0.11 5.02 0.11 -0.47 -1.76 120.40 122.33 2bka s VAL 21 Ca 0.28 -0.95 0.09 0.00 -2.93 0.00 0.00 61.98 58.47 2bka s VAL 21 Cb -0.10 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 34.08 2bka s VAL 21 CO 0.19 -0.26 -0.24 0.72 -3.33 0.00 0.00 175.10 172.19 2bka s PHE 22 N -1.12 2.02 -0.04 1.54 -0.71 -0.15 -1.15 117.98 118.37 2bka s PHE 22 Ca -0.06 -0.40 0.02 0.00 -1.04 0.00 0.00 56.93 55.45 2bka s PHE 22 Cb -0.08 -1.11 0.01 0.00 -1.21 0.00 0.00 43.02 40.62 2bka s PHE 22 CO 0.01 0.25 -0.11 0.42 -1.34 0.00 0.00 175.22 174.45 2bka s ILE 23 N -1.09 0.95 -0.11 -4.49 1.01 -0.10 -1.57 121.20 115.81 2bka s ILE 23 Ca 0.10 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.31 2bka s ILE 23 Cb -0.10 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 2bka s ILE 23 CO 0.05 0.30 -0.03 -0.76 0.00 0.00 0.00 174.94 174.49 2bka s LEU 24 N 0.41 3.34 0.00 2.97 1.43 -0.15 -1.47 118.68 125.21 2bka s LEU 24 Ca -0.08 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 2bka s LEU 24 Cb -0.12 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.33 2bka s LEU 24 CO 0.02 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.50 2bka n GLY 25 N 2.71 0.60 0.31 -3.19 0.00 -1.26 -0.59 105.19 103.76 2bka n GLY 25 Ca -0.18 -0.76 0.20 0.00 0.00 0.00 0.00 46.02 45.28 2bka n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bka h ALA 26 N 0.00 1.01 0.00 4.61 0.00 -1.82 -1.89 119.26 121.18 2bka h ALA 26 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2bka h ALA 26 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2bka h ALA 26 CO 0.00 0.01 -0.01 0.66 0.00 0.00 0.00 179.25 179.91 2bka h SER 27 N 0.00 0.00 -4.02 0.00 4.64 -1.92 -2.32 113.55 109.92 2bka h SER 27 Ca -0.00 -0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 2bka h SER 27 Cb 0.25 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.49 2bka h SER 27 CO 0.00 0.00 0.27 -0.83 -0.87 0.00 0.00 176.83 175.40 2bka s GLY 28 N -3.82 1.60 0.16 -0.77 0.00 -0.71 -4.76 107.32 99.02 2bka s GLY 28 Ca 0.09 -0.69 -0.10 0.00 0.00 0.00 0.00 44.72 44.03 2bka s GLY 28 CO 0.63 -0.03 1.55 0.83 0.00 0.00 0.00 173.10 176.08 2bka h GLU 29 N -1.78 0.99 -0.07 2.90 4.39 -1.89 0.62 114.58 119.74 2bka h GLU 29 Ca -0.49 -0.43 -0.13 0.00 0.34 0.00 0.00 59.36 58.66 2bka h GLU 29 Cb 1.31 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.94 2bka h GLU 29 CO 0.53 1.10 -0.45 1.15 -1.16 0.00 0.00 179.01 180.18 2bka h THR 30 N 0.85 1.40 -0.78 1.13 2.02 -1.92 -3.10 112.91 112.51 2bka h THR 30 Ca 0.11 -1.84 0.04 0.00 0.77 0.00 0.00 66.41 65.48 2bka h THR 30 Cb 0.80 2.33 -0.04 0.00 -1.74 0.00 0.00 68.15 69.50 2bka h THR 30 CO 0.07 0.54 0.51 1.23 0.37 0.00 0.00 175.52 178.24 2bka h GLY 31 N -0.03 1.08 1.90 2.16 0.00 -1.60 0.33 103.07 106.91 2bka h GLY 31 Ca -0.04 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 2bka h GLY 31 CO 0.09 0.31 -0.58 0.07 0.00 0.00 0.00 176.54 176.44 2bka h ARG 32 N 0.93 0.11 -0.14 4.80 0.11 -0.28 -0.47 114.38 119.45 2bka h ARG 32 Ca 0.31 -0.07 -0.20 0.00 0.10 0.00 0.00 59.98 60.12 2bka h ARG 32 Cb 0.08 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.17 2bka h ARG 32 CO -0.09 0.66 -0.74 0.28 0.10 0.00 0.00 179.97 180.18 2bka h VAL 33 N 0.08 1.31 -0.35 0.08 2.07 -1.30 -1.48 116.25 116.67 2bka h VAL 33 Ca -0.00 -2.01 -0.01 0.00 0.82 0.00 0.00 66.70 65.50 2bka h VAL 33 Cb 1.05 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 2bka h VAL 33 CO 0.08 0.63 0.18 0.25 0.02 0.00 0.00 177.57 178.73 2bka h LEU 34 N 0.45 0.44 -0.40 2.57 5.85 -0.65 -0.59 115.31 122.99 2bka h LEU 34 Ca -0.04 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 2bka h LEU 34 Cb 1.34 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 2bka h LEU 34 CO 0.14 0.42 0.18 0.25 -0.34 0.00 0.00 178.44 179.10 2bka h LEU 35 N 0.44 0.53 -0.30 2.25 5.85 -1.04 -0.41 115.31 122.61 2bka h LEU 35 Ca 0.12 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.72 2bka h LEU 35 Cb 0.08 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2bka h LEU 35 CO -0.02 0.52 0.16 0.50 -0.34 0.00 0.00 178.44 179.26 2bka h LYS 36 N 0.50 0.33 -0.38 1.25 3.64 -1.04 -1.40 116.57 119.47 2bka h LYS 36 Ca 0.14 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 2bka h LYS 36 Cb 0.14 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 2bka h LYS 36 CO -0.02 0.22 -0.06 0.93 -2.27 0.00 0.00 179.45 178.26 2bka h GLU 37 N 0.34 0.64 -0.81 1.90 4.39 -0.95 0.09 114.58 120.18 2bka h GLU 37 Ca 0.12 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 2bka h GLU 37 Cb 0.02 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 2bka h GLU 37 CO -0.07 0.70 0.34 0.82 -1.16 0.00 0.00 179.01 179.64 2bka h ILE 38 N 0.59 1.26 -0.18 3.13 2.04 -0.53 0.22 117.51 124.04 2bka h ILE 38 Ca 0.11 -0.79 -0.21 0.00 1.00 0.00 0.00 64.86 64.97 2bka h ILE 38 Cb 0.46 0.27 0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2bka h ILE 38 CO 0.02 0.33 -0.70 -0.07 0.00 0.00 0.00 178.15 177.73 2bka h LEU 39 N 1.17 0.94 -1.12 1.44 3.38 -0.87 -0.86 115.31 119.39 2bka h LEU 39 Ca 0.27 -0.61 -0.07 0.00 0.09 0.00 0.00 57.88 57.57 2bka h LEU 39 Cb 0.19 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2bka h LEU 39 CO -0.03 1.39 -0.10 -0.33 0.09 0.00 0.00 178.44 179.46 2bka h GLU 40 N 0.55 0.50 0.00 1.13 5.08 -0.74 -2.84 114.58 118.25 2bka h GLU 40 Ca -0.04 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2bka h GLU 40 Cb 1.33 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2bka h GLU 40 CO 0.15 0.60 -0.71 1.96 -1.00 0.00 0.00 179.01 180.01 2bka h GLN 41 N 0.47 0.00 -6.16 2.33 4.20 -0.95 -3.48 115.11 111.51 2bka h GLN 41 Ca 0.09 0.00 -0.44 0.00 0.06 0.00 0.00 58.65 58.35 2bka h GLN 41 Cb 0.46 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.26 2bka h GLN 41 CO 0.03 0.00 -0.77 0.41 -0.67 0.00 0.00 178.83 177.82 2bka n GLY 42 N 1.31 -0.43 0.16 3.46 0.00 -0.33 -4.90 105.19 104.46 2bka n GLY 42 Ca 0.03 0.18 0.05 0.00 0.00 0.00 0.00 46.02 46.27 2bka n GLY 42 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2bka h LEU 43 N -2.09 0.00 -8.91 0.99 3.38 -1.88 -3.46 115.31 103.33 2bka h LEU 43 Ca -0.59 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 56.69 2bka h LEU 43 Cb 1.37 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.90 2bka h LEU 43 CO 0.62 0.40 -0.87 -0.36 0.09 0.00 0.00 178.44 178.32 2bka s PHE 44 N -3.14 2.33 -0.86 1.13 0.40 -1.26 -4.43 117.98 112.15 2bka s PHE 44 Ca 0.03 -0.37 0.25 0.00 -0.60 0.00 0.00 56.93 56.24 2bka s PHE 44 Cb 0.08 -1.27 0.52 0.00 0.51 0.00 0.00 43.02 42.86 2bka s PHE 44 CO 0.72 0.32 1.43 -1.13 0.70 0.00 0.00 175.22 177.27 2bka n SER 45 N 0.98 0.52 -3.73 1.36 3.41 -0.26 -4.82 113.62 111.09 2bka n SER 45 Ca -0.18 -0.03 -0.12 0.00 -0.26 0.00 0.00 58.87 58.28 2bka n SER 45 Cb 0.53 0.13 -0.11 0.00 -0.26 0.00 0.00 64.21 64.50 2bka n SER 45 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2bka s LYS 46 N -3.06 0.34 -0.11 4.33 2.20 -1.25 -5.03 119.74 117.16 2bka s LYS 46 Ca 0.09 0.59 0.02 0.00 -0.36 0.00 0.00 55.97 56.31 2bka s LYS 46 Cb 0.16 0.04 0.02 0.00 -1.51 0.00 0.00 37.83 36.54 2bka s LYS 46 CO 0.69 -0.11 -0.15 0.08 -0.36 0.00 0.00 175.35 175.50 2bka s VAL 47 N 0.85 1.48 -0.07 4.02 1.01 -1.26 -1.36 120.40 125.07 2bka s VAL 47 Ca -0.06 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.33 2bka s VAL 47 Cb -0.06 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.96 2bka s VAL 47 CO -0.06 0.44 -0.17 -0.89 0.00 0.00 0.00 175.10 174.42 2bka s THR 48 N 1.05 1.48 -0.12 3.92 2.01 -0.30 -0.72 115.64 122.97 2bka s THR 48 Ca -0.05 -0.70 -0.05 0.00 0.31 0.00 0.00 61.69 61.20 2bka s THR 48 Cb -0.15 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 2bka s THR 48 CO -0.03 0.43 0.08 -0.76 -0.69 0.00 0.00 174.62 173.66 2bka s LEU 49 N 0.43 4.02 -0.14 4.42 1.43 0.11 -0.92 118.68 128.03 2bka s LEU 49 Ca -0.14 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 2bka s LEU 49 Cb -0.16 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 44.11 2bka s LEU 49 CO 0.05 0.36 -0.17 -0.63 0.23 0.00 0.00 176.35 176.19 2bka s ILE 50 N -0.75 1.71 0.14 -0.59 1.01 -0.54 -0.27 121.20 121.92 2bka s ILE 50 Ca 0.13 -0.75 -0.24 0.00 0.00 0.00 0.00 60.65 59.79 2bka s ILE 50 Cb -0.12 -1.56 0.08 0.00 0.01 0.00 0.00 42.46 40.87 2bka s ILE 50 CO 0.03 0.48 1.09 -0.83 0.00 0.00 0.00 174.94 175.71 2bka s GLY 51 N 1.17 0.04 0.00 6.18 0.00 -0.81 -4.21 107.32 109.69 2bka s GLY 51 Ca -0.01 -0.22 0.22 0.00 0.00 0.00 0.00 44.72 44.71 2bka s GLY 51 CO -0.06 2.80 1.71 -0.96 0.00 0.00 0.00 173.10 176.58 2bka n ARG 52 N -0.72 0.00 -3.69 2.90 1.85 -1.26 -0.51 116.66 115.23 2bka n ARG 52 Ca -0.02 0.12 -0.13 0.00 -1.00 0.00 0.00 57.85 56.82 2bka n ARG 52 Cb 0.59 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.44 2bka n ARG 52 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 2bka s ARG 53 N -3.00 0.87 0.22 2.89 1.70 -1.26 -4.70 118.95 115.67 2bka s ARG 53 Ca 0.11 -0.35 -0.30 0.00 -0.47 0.00 0.00 55.73 54.72 2bka s ARG 53 Cb 0.14 0.38 -0.08 0.00 -0.57 0.00 0.00 34.95 34.83 2bka s ARG 53 CO 0.40 -0.29 1.03 0.21 -1.08 0.00 0.00 175.30 175.58 2bka s LYS 54 N -2.30 4.70 0.07 3.89 2.20 -1.26 -4.91 119.74 122.14 2bka s LYS 54 Ca -0.06 1.64 0.03 0.00 -0.36 0.00 0.00 55.97 57.22 2bka s LYS 54 Cb -0.01 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 33.00 2bka s LYS 54 CO -0.01 0.27 0.06 -0.51 -0.36 0.00 0.00 175.35 174.80 2bka s LEU 55 N -0.88 3.74 -0.09 5.43 1.43 -1.26 -5.12 118.68 121.93 2bka s LEU 55 Ca 0.45 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 2bka s LEU 55 Cb -0.28 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 2bka s LEU 55 CO 0.35 0.18 -0.08 0.42 0.23 0.00 0.00 176.35 177.45 2bka s THR 56 N -1.36 3.53 0.37 5.49 -4.23 -1.26 -5.12 115.64 113.06 2bka s THR 56 Ca 0.28 -0.53 0.08 0.00 -1.18 0.00 0.00 61.69 60.35 2bka s THR 56 Cb -0.12 -2.46 -0.06 0.00 1.34 0.00 0.00 72.50 71.20 2bka s THR 56 CO 0.21 0.57 0.02 -0.36 -0.54 0.00 0.00 174.62 174.52 2bka s PHE 57 N -0.41 2.53 0.00 3.99 0.40 -1.26 -5.11 117.98 118.12 2bka s PHE 57 Ca 0.06 -0.54 0.00 0.00 -0.60 0.00 0.00 56.93 55.85 2bka s PHE 57 Cb -0.12 -1.64 0.00 0.00 0.51 0.00 0.00 43.02 41.77 2bka s PHE 57 CO 0.02 0.43 0.00 -0.40 0.70 0.00 0.00 175.22 175.97 2bka n ASP 58 N -0.98 0.00 -4.39 1.36 5.75 -1.26 -5.04 116.55 111.99 2bka n ASP 58 Ca -0.04 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.41 2bka n ASP 58 Cb 0.64 0.00 0.13 0.00 -1.03 0.00 0.00 41.12 40.86 2bka n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2bka n GLU 59 N -0.59 -0.56 -0.15 0.11 1.02 -1.26 -4.96 120.64 114.25 2bka n GLU 59 Ca 0.00 -0.13 -0.09 0.00 -0.02 0.00 0.00 57.16 56.93 2bka n GLU 59 Cb 0.00 -1.83 0.05 0.00 -0.02 0.00 0.00 31.44 29.64 2bka n GLU 59 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2bka h GLU 60 N -1.67 0.94 -0.27 3.49 4.39 -2.03 -3.15 114.58 116.29 2bka h GLU 60 Ca -0.45 -0.35 0.08 0.00 0.34 0.00 0.00 59.36 58.98 2bka h GLU 60 Cb 1.30 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 2bka h GLU 60 CO 0.35 1.01 0.23 0.00 -1.16 0.00 0.00 179.01 179.44 2bka h ALA 61 N 1.01 2.05 0.00 3.43 0.00 -2.00 0.82 119.26 124.57 2bka h ALA 61 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2bka h ALA 61 Cb 0.67 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2bka h ALA 61 CO 0.05 -0.37 0.00 0.66 0.00 0.00 0.00 179.25 179.59 2bka n TYR 62 N -4.08 0.86 0.30 0.00 4.02 -1.19 -2.87 117.16 114.21 2bka n TYR 62 Ca 0.04 0.34 0.16 0.00 -0.01 0.00 0.00 57.90 58.43 2bka n TYR 62 Cb 0.39 -1.06 0.97 0.00 -0.02 0.00 0.00 39.34 39.62 2bka n TYR 62 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 2bka h LYS 63 N 0.00 0.00 -0.06 -0.72 1.57 -1.01 -1.56 116.57 114.79 2bka h LYS 63 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2bka h LYS 63 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2bka h LYS 63 CO 0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 2bka n ASN 64 N -3.70 2.34 -4.70 0.86 3.02 -1.14 -4.91 115.26 107.04 2bka n ASN 64 Ca -0.03 -1.78 -0.42 0.00 -0.03 0.00 0.00 54.58 52.32 2bka n ASN 64 Cb 0.08 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 2bka n ASN 64 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2bka s VAL 65 N -1.94 4.46 0.15 2.41 1.01 -0.59 -4.67 120.40 121.24 2bka s VAL 65 Ca 0.33 1.76 -0.20 0.00 0.00 0.00 0.00 61.98 63.87 2bka s VAL 65 Cb 0.20 -4.13 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 2bka s VAL 65 CO 0.31 0.07 0.67 0.20 0.00 0.00 0.00 175.10 176.35 2bka s ASN 66 N 1.19 7.11 -0.06 3.32 -0.87 0.10 -4.97 114.94 120.76 2bka s ASN 66 Ca 0.54 1.38 0.04 0.00 -1.57 0.00 0.00 52.86 53.25 2bka s ASN 66 Cb -0.24 -2.40 0.00 0.00 -0.02 0.00 0.00 41.25 38.59 2bka s ASN 66 CO 0.24 0.16 -0.17 -1.10 -2.57 0.00 0.00 177.10 173.66 2bka s GLN 67 N -1.52 2.04 -0.27 -0.60 -0.21 -1.26 0.04 119.66 117.88 2bka s GLN 67 Ca 0.36 -0.61 0.01 0.00 0.02 0.00 0.00 55.36 55.14 2bka s GLN 67 Cb -0.19 -1.68 0.05 0.00 1.00 0.00 0.00 33.01 32.20 2bka s GLN 67 CO 0.21 0.17 -0.08 -1.21 -2.12 0.00 0.00 175.29 172.26 2bka s GLU 68 N 0.28 2.37 -0.22 2.91 0.41 0.63 -4.94 118.70 120.15 2bka s GLU 68 Ca -0.10 -1.28 -0.18 0.00 -0.41 0.00 0.00 54.97 53.00 2bka s GLU 68 Cb -0.14 -2.96 -0.03 0.00 -1.78 0.00 0.00 34.13 29.22 2bka s GLU 68 CO 0.04 -0.55 0.53 0.08 -0.49 0.00 0.00 175.26 174.86 2bka s VAL 69 N 1.17 5.09 0.28 2.63 1.01 -1.26 -1.92 120.40 127.39 2bka s VAL 69 Ca -0.07 0.95 0.06 0.00 0.00 0.00 0.00 61.98 62.92 2bka s VAL 69 Cb -0.19 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 2bka s VAL 69 CO -0.04 0.14 -0.03 0.68 0.00 0.00 0.00 175.10 175.84 2bka s VAL 70 N 1.89 1.48 -0.37 2.92 -7.23 0.33 -4.96 120.40 114.45 2bka s VAL 70 Ca 0.23 -2.09 -0.07 0.00 -1.81 0.00 0.00 61.98 58.25 2bka s VAL 70 Cb -0.15 -2.48 0.06 0.00 0.56 0.00 0.00 36.38 34.37 2bka s VAL 70 CO 0.09 -0.27 0.17 -0.62 -0.31 0.00 0.00 175.10 174.16 2bka s ASP 71 N -3.42 5.42 0.58 4.85 3.68 -1.26 -4.14 116.67 122.38 2bka s ASP 71 Ca 0.30 -1.34 0.32 0.00 2.13 0.00 0.00 52.55 53.96 2bka s ASP 71 Cb 0.05 -1.91 1.80 0.00 -1.45 0.00 0.00 42.92 41.42 2bka s ASP 71 CO 0.12 -0.42 2.21 -0.26 0.13 0.00 0.00 175.17 176.95 2bka h PHE 72 N 8.27 0.00 0.00 -5.34 0.04 -1.96 -0.74 116.94 117.20 2bka h PHE 72 Ca -0.22 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.55 2bka h PHE 72 Cb 1.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.23 2bka h PHE 72 CO 0.60 0.04 0.00 0.93 -0.60 0.00 0.00 178.31 179.28 2bka h GLU 73 N 0.00 0.00 -0.43 1.51 4.39 -2.02 -3.12 114.58 114.91 2bka h GLU 73 Ca -0.00 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.40 2bka h GLU 73 Cb 0.14 0.00 -0.38 0.00 -0.10 0.00 0.00 28.75 28.41 2bka h GLU 73 CO 0.01 0.00 -0.97 1.63 -1.16 0.00 0.00 179.01 178.51 2bka n LYS 74 N -2.55 2.05 -0.27 2.33 5.02 -0.39 -4.94 118.16 119.41 2bka n LYS 74 Ca 0.03 -3.49 0.20 0.00 -2.02 0.00 0.00 58.31 53.03 2bka n LYS 74 Cb 0.33 -1.60 0.51 0.00 -0.02 0.00 0.00 35.03 34.25 2bka n LYS 74 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2bka h LEU 75 N 2.15 0.43 -1.81 -0.35 5.85 -1.21 -0.06 115.31 120.29 2bka h LEU 75 Ca 0.01 0.05 0.17 0.00 0.84 0.00 0.00 57.88 58.95 2bka h LEU 75 Cb 1.41 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.38 2bka h LEU 75 CO 0.33 0.15 0.47 0.44 -0.34 0.00 0.00 178.44 179.49 2bka h ASP 76 N 0.42 0.17 0.49 1.25 3.32 -1.90 0.32 116.42 120.49 2bka h ASP 76 Ca 0.51 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.57 2bka h ASP 76 Cb 1.26 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2bka h ASP 76 CO -0.21 0.08 0.00 0.47 -1.72 0.00 0.00 179.24 177.87 2bka n ASP 77 N -4.41 0.00 -0.64 6.45 8.00 -0.04 -2.29 116.55 123.62 2bka n ASP 77 Ca 0.13 0.36 0.05 0.00 0.71 0.00 0.00 54.79 56.04 2bka n ASP 77 Cb 0.63 -0.43 0.20 0.00 -0.02 0.00 0.00 41.12 41.49 2bka n ASP 77 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2bka n TYR 78 N -1.43 0.42 -0.11 1.24 4.01 0.11 -4.75 117.16 116.65 2bka n TYR 78 Ca 0.05 -1.30 0.16 0.00 -0.16 0.00 0.00 57.90 56.65 2bka n TYR 78 Cb 0.18 -0.30 0.55 0.00 -0.31 0.00 0.00 39.34 39.46 2bka n TYR 78 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2bka h ALA 79 N 0.84 2.20 -0.07 -0.72 0.00 -1.40 -0.94 119.26 119.17 2bka h ALA 79 Ca 0.06 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2bka h ALA 79 Cb 1.24 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2bka h ALA 79 CO 0.13 -0.38 0.06 0.66 0.00 0.00 0.00 179.25 179.73 2bka h SER 80 N 0.30 0.00 0.47 0.00 4.64 -1.87 -0.45 113.55 116.65 2bka h SER 80 Ca 0.32 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2bka h SER 80 Cb 0.83 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2bka h SER 80 CO -0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 176.83 175.87 2bka h ALA 81 N 1.95 1.02 -0.43 5.18 0.00 -1.56 -2.18 119.26 123.24 2bka h ALA 81 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2bka h ALA 81 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2bka h ALA 81 CO -0.00 0.01 0.00 1.19 0.00 0.00 0.00 179.25 180.45 2bka n PHE 82 N -3.13 0.55 -2.84 0.00 3.01 -0.18 -4.98 117.46 109.89 2bka n PHE 82 Ca -0.01 -0.30 -0.41 0.00 1.01 0.00 0.00 57.45 57.74 2bka n PHE 82 Cb 0.18 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.61 2bka n PHE 82 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 2bka s GLN 83 N -1.35 4.53 0.00 -1.08 2.00 -0.82 -4.32 119.66 118.62 2bka s GLN 83 Ca 0.38 1.22 0.00 0.00 -2.00 0.00 0.00 55.36 54.97 2bka s GLN 83 Cb 0.22 -3.43 0.00 0.00 0.80 0.00 0.00 33.01 30.60 2bka s GLN 83 CO 0.30 0.06 0.00 0.41 -0.50 0.00 0.00 175.29 175.56 2bka n GLY 84 N 2.82 1.12 3.78 2.59 0.00 -0.26 -5.04 105.19 110.20 2bka n GLY 84 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 2bka n GLY 84 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bka s HIS 85 N -3.83 3.68 -0.02 1.61 3.76 -1.26 -4.89 115.29 114.34 2bka s HIS 85 Ca 0.00 1.75 -0.12 0.00 -0.15 0.00 0.00 55.06 56.54 2bka s HIS 85 Cb 0.00 -2.90 -0.32 0.00 1.11 0.00 0.00 32.58 30.47 2bka s HIS 85 CO 0.00 0.22 0.80 -0.44 -0.85 0.00 0.00 174.74 174.47 2bka h ASP 86 N 3.18 0.69 -4.29 1.40 3.32 -1.74 -3.17 116.42 115.81 2bka h ASP 86 Ca -0.47 -0.90 -0.53 0.00 0.02 0.00 0.00 57.03 55.15 2bka h ASP 86 Cb 1.19 -0.22 -0.25 0.00 0.22 0.00 0.00 39.33 40.26 2bka h ASP 86 CO 0.65 1.74 -0.82 -0.69 -1.72 0.00 0.00 179.24 178.40 2bka s VAL 87 N -2.59 1.46 0.02 -1.35 1.01 -0.72 -1.13 120.40 117.10 2bka s VAL 87 Ca -0.13 -1.12 0.03 0.00 0.00 0.00 0.00 61.98 60.76 2bka s VAL 87 Cb 0.05 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 2bka s VAL 87 CO 0.89 0.14 -0.10 -0.83 0.00 0.00 0.00 175.10 175.20 2bka s GLY 88 N -1.15 0.54 -0.06 4.51 0.00 -0.01 -0.98 107.32 110.17 2bka s GLY 88 Ca 0.05 -0.60 0.03 0.00 0.00 0.00 0.00 44.72 44.20 2bka s GLY 88 CO 0.02 -0.59 -0.14 -1.36 0.00 0.00 0.00 173.10 171.03 2bka s PHE 89 N -0.70 1.56 -0.25 1.90 0.40 -0.61 -0.59 117.98 119.69 2bka s PHE 89 Ca -0.01 -0.54 0.00 0.00 -0.60 0.00 0.00 56.93 55.78 2bka s PHE 89 Cb -0.06 -1.11 0.04 0.00 0.51 0.00 0.00 43.02 42.40 2bka s PHE 89 CO 0.00 -0.25 -0.10 0.00 0.70 0.00 0.00 175.22 175.58 2bka s LEU 92 N -3.01 3.72 0.00 0.00 1.43 -1.25 -4.65 118.68 114.92 2bka s LEU 92 Ca 0.35 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 55.35 2bka s LEU 92 Cb 0.32 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.98 2bka s LEU 92 CO -0.00 -0.94 0.00 0.61 0.23 0.00 0.00 176.35 176.24 2bka n GLY 93 N -0.49 2.32 0.00 -3.19 0.00 -1.26 -4.91 105.19 97.66 2bka n GLY 93 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2bka n GLY 93 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2bka n THR 94 N -0.45 0.00 -4.15 2.61 5.66 -1.26 -5.02 114.28 111.66 2bka n THR 94 Ca 0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 2bka n THR 94 Cb 0.00 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.68 2bka n THR 94 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2bka s THR 95 N -0.59 0.15 0.24 1.09 -4.23 -1.26 -4.99 115.64 106.04 2bka s THR 95 Ca 0.00 -1.90 -0.02 0.00 -1.18 0.00 0.00 61.69 58.58 2bka s THR 95 Cb 0.00 -1.98 0.06 0.00 1.34 0.00 0.00 72.50 71.92 2bka s THR 95 CO 0.00 -0.54 1.68 -0.09 -0.54 0.00 0.00 174.62 175.13 2bka h ARG 96 N 2.89 0.71 -0.46 3.99 2.43 -1.95 -0.64 114.38 121.35 2bka h ARG 96 Ca -0.35 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 58.55 2bka h ARG 96 Cb 1.19 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 2bka h ARG 96 CO 0.60 0.85 0.24 0.78 -1.51 0.00 0.00 179.97 180.93 2bka h GLY 97 N 0.98 0.68 0.84 2.80 0.00 -1.96 0.31 103.07 106.73 2bka h GLY 97 Ca 0.10 -0.30 -0.31 0.00 0.00 0.00 0.00 47.33 46.82 2bka h GLY 97 CO 0.05 0.29 -1.81 0.28 0.00 0.00 0.00 176.54 175.34 2bka n LYS 98 N -4.40 0.66 0.00 4.80 5.02 -1.08 -4.59 118.16 118.57 2bka n LYS 98 Ca 0.04 0.27 0.01 0.00 -2.02 0.00 0.00 58.31 56.60 2bka n LYS 98 Cb 0.11 -1.76 -0.00 0.00 -0.02 0.00 0.00 35.03 33.36 2bka n LYS 98 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bka n ALA 99 N -2.64 2.36 0.00 7.82 0.00 -0.27 -4.99 120.51 122.79 2bka n ALA 99 Ca -0.21 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2bka n ALA 99 Cb 1.06 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.45 2bka n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bka n GLY 100 N 0.54 -1.48 0.05 0.00 0.00 0.11 -3.23 105.19 101.19 2bka n GLY 100 Ca 0.01 -1.57 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 2bka n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bka h ALA 101 N 0.00 0.03 -0.63 4.61 0.00 -1.91 -1.24 119.26 120.11 2bka h ALA 101 Ca 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2bka h ALA 101 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2bka h ALA 101 CO 0.00 -0.41 0.09 0.93 0.00 0.00 0.00 179.25 179.86 2bka h GLU 102 N -0.08 1.04 -0.28 0.00 5.08 -1.97 -2.52 114.58 115.85 2bka h GLU 102 Ca 0.01 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.04 2bka h GLU 102 Cb 0.12 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2bka h GLU 102 CO -0.00 0.96 -0.06 0.78 -1.00 0.00 0.00 179.01 179.69 2bka h GLY 103 N 1.04 0.48 0.86 -3.84 0.00 -1.51 -0.64 103.07 99.46 2bka h GLY 103 Ca 0.19 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 2bka h GLY 103 CO 0.01 0.28 0.00 -2.75 0.00 0.00 0.00 176.54 174.08 2bka h PHE 104 N 0.42 0.50 -0.77 5.60 3.57 -0.88 -2.22 116.94 123.16 2bka h PHE 104 Ca 0.09 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2bka h PHE 104 Cb 0.38 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 2bka h PHE 104 CO 0.01 0.61 0.40 0.28 -2.23 0.00 0.00 178.31 177.38 2bka h VAL 105 N 0.24 1.24 -0.77 1.41 2.07 -1.15 -0.96 116.25 118.33 2bka h VAL 105 Ca 0.08 -0.63 0.08 0.00 0.82 0.00 0.00 66.70 67.05 2bka h VAL 105 Cb 0.41 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 30.35 2bka h VAL 105 CO 0.01 0.27 0.43 -0.09 0.02 0.00 0.00 177.57 178.21 2bka h ARG 106 N 1.08 0.72 0.00 1.57 9.65 -0.89 -0.22 114.38 126.28 2bka h ARG 106 Ca 0.27 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.11 2bka h ARG 106 Cb 0.07 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.49 2bka h ARG 106 CO -0.04 0.47 -0.05 0.28 2.80 0.00 0.00 179.97 183.43 2bka h VAL 107 N 0.74 0.00 0.00 0.20 2.07 -1.10 0.02 116.25 118.18 2bka h VAL 107 Ca 0.36 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 2bka h VAL 107 Cb 0.31 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2bka h VAL 107 CO -0.23 0.00 -0.14 0.44 0.02 0.00 0.00 177.57 177.66 2bka h ASP 108 N -0.92 0.00 0.00 0.57 5.19 -1.25 -3.01 116.42 117.00 2bka h ASP 108 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2bka h ASP 108 Cb 0.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.56 2bka h ASP 108 CO 0.00 0.14 -0.57 -1.14 -3.12 0.00 0.00 179.24 174.55 2bka n ARG 109 N -4.15 0.30 0.18 3.56 0.63 -0.15 -4.52 116.66 112.50 2bka n ARG 109 Ca -0.02 0.12 -0.14 0.00 -0.92 0.00 0.00 57.85 56.88 2bka n ARG 109 Cb 0.22 -1.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.05 2bka n ARG 109 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2bka h ASP 110 N -0.57 -0.40 -0.67 6.15 3.32 -1.21 0.59 116.42 123.62 2bka h ASP 110 Ca 0.00 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 2bka h ASP 110 Cb 0.57 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 2bka h ASP 110 CO 0.00 -0.26 0.12 1.88 -1.72 0.00 0.00 179.24 179.26 2bka h TYR 111 N -0.42 1.16 -0.17 4.55 0.05 -0.90 -0.99 116.97 120.26 2bka h TYR 111 Ca -0.03 -0.16 -0.02 0.00 0.05 0.00 0.00 58.73 58.57 2bka h TYR 111 Cb 0.34 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 2bka h TYR 111 CO -0.08 0.97 0.02 0.28 -1.05 0.00 0.00 178.16 178.29 2bka h VAL 112 N 1.02 1.23 -0.59 -2.88 2.07 -1.46 -1.02 116.25 114.62 2bka h VAL 112 Ca 0.20 -0.77 -0.07 0.00 0.82 0.00 0.00 66.70 66.89 2bka h VAL 112 Cb 0.42 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 2bka h VAL 112 CO 0.01 0.23 0.11 0.25 0.02 0.00 0.00 177.57 178.20 2bka h LEU 113 N 0.06 0.93 -0.69 2.57 5.85 -0.78 -0.70 115.31 122.55 2bka h LEU 113 Ca 0.05 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 2bka h LEU 113 Cb 0.34 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2bka h LEU 113 CO 0.01 0.94 0.28 0.50 -0.34 0.00 0.00 178.44 179.83 2bka h LYS 114 N 0.88 1.03 -0.54 1.25 1.63 -1.13 0.40 116.57 120.08 2bka h LYS 114 Ca 0.18 -0.18 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 2bka h LYS 114 Cb 0.40 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.83 2bka h LYS 114 CO 0.01 0.85 0.25 0.77 -3.45 0.00 0.00 179.45 177.87 2bka h SER 115 N 0.98 0.71 -0.70 4.20 0.02 -0.89 -1.26 113.55 116.61 2bka h SER 115 Ca 0.23 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 2bka h SER 115 Cb 0.20 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 2bka h SER 115 CO -0.02 0.65 0.33 0.00 -1.14 0.00 0.00 176.83 176.65 2bka h ALA 116 N 1.09 0.90 -0.51 3.77 0.00 -0.67 0.19 119.26 124.02 2bka h ALA 116 Ca 0.18 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2bka h ALA 116 Cb 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2bka h ALA 116 CO -0.02 0.47 0.32 0.93 0.00 0.00 0.00 179.25 180.95 2bka h GLU 117 N 0.98 0.69 -0.15 0.00 5.08 -0.53 -0.01 114.58 120.64 2bka h GLU 117 Ca 0.24 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.44 2bka h GLU 117 Cb 0.13 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2bka h GLU 117 CO -0.03 0.49 -0.37 -0.07 -1.00 0.00 0.00 179.01 178.03 2bka h LEU 118 N 0.69 0.33 -0.36 1.33 3.38 -0.93 -1.66 115.31 118.10 2bka h LEU 118 Ca 0.19 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 2bka h LEU 118 Cb -0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2bka h LEU 118 CO -0.04 0.68 -0.04 0.00 0.09 0.00 0.00 178.44 179.13 2bka h ALA 119 N 1.34 0.48 -0.49 1.53 0.00 -0.48 0.48 119.26 122.13 2bka h ALA 119 Ca 0.03 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2bka h ALA 119 Cb 0.78 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2bka h ALA 119 CO 0.06 0.29 0.29 -0.22 0.00 0.00 0.00 179.25 179.67 2bka h LYS 120 N 0.46 0.67 0.00 0.00 1.63 -0.81 -1.08 116.57 117.44 2bka h LYS 120 Ca 0.10 -0.07 -0.05 0.00 -0.85 0.00 0.00 60.65 59.78 2bka h LYS 120 Cb 0.53 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 2bka h LYS 120 CO 0.03 0.50 -0.22 0.00 -3.45 0.00 0.00 179.45 176.30 2bka h ALA 121 N 1.13 1.24 -0.01 5.00 0.00 -1.16 -2.65 119.26 122.82 2bka h ALA 121 Ca 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2bka h ALA 121 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2bka h ALA 121 CO -0.03 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.91 2bka n GLY 122 N -0.41 -0.56 0.00 0.00 0.00 0.15 -4.92 105.19 99.46 2bka n GLY 122 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2bka n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bka n GLY 123 N 1.06 0.48 3.69 -0.02 0.00 -0.90 -1.10 105.19 108.39 2bka n GLY 123 Ca 0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 2bka n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bka n LYS 125 N 3.27 0.81 -3.79 0.00 4.76 -0.28 -4.69 118.16 118.23 2bka n LYS 125 Ca 0.15 -0.08 -0.28 0.00 -2.87 0.00 0.00 58.31 55.23 2bka n LYS 125 Cb 0.31 -1.48 -0.16 0.00 -1.84 0.00 0.00 35.03 31.86 2bka n LYS 125 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2bka s HIS 126 N -2.85 1.37 -0.15 2.13 2.46 -0.89 -1.26 115.29 116.10 2bka s HIS 126 Ca -0.08 -1.05 -0.04 0.00 0.47 0.00 0.00 55.06 54.35 2bka s HIS 126 Cb 0.09 -1.16 -0.03 0.00 -0.13 0.00 0.00 32.58 31.34 2bka s HIS 126 CO 0.79 -0.64 -0.00 0.12 -2.47 0.00 0.00 174.74 172.55 2bka s PHE 127 N 1.74 3.12 -0.17 3.88 5.36 -0.49 -0.83 117.98 130.60 2bka s PHE 127 Ca -0.02 -0.08 0.00 0.00 -0.96 0.00 0.00 56.93 55.87 2bka s PHE 127 Cb -0.17 -1.95 0.00 0.00 -0.34 0.00 0.00 43.02 40.56 2bka s PHE 127 CO -0.07 0.13 -0.16 -0.80 -1.46 0.00 0.00 175.22 172.86 2bka s ASN 128 N 0.08 3.57 -0.16 6.13 0.01 0.24 -1.24 114.94 123.57 2bka s ASN 128 Ca 0.02 -0.51 -0.01 0.00 -0.71 0.00 0.00 52.86 51.65 2bka s ASN 128 Cb -0.13 -1.55 -0.01 0.00 0.41 0.00 0.00 41.25 39.97 2bka s ASN 128 CO 0.02 0.05 -0.12 -0.22 -1.51 0.00 0.00 177.10 175.32 2bka s LEU 129 N 1.01 2.66 -0.42 0.60 2.96 0.16 -0.62 118.68 125.02 2bka s LEU 129 Ca -0.02 -0.39 -0.22 0.00 -0.22 0.00 0.00 54.13 53.28 2bka s LEU 129 Cb -0.15 -1.62 0.02 0.00 0.50 0.00 0.00 46.19 44.95 2bka s LEU 129 CO -0.04 0.10 0.75 -0.22 -1.32 0.00 0.00 176.35 175.63 2bka s LEU 130 N 0.72 4.26 0.00 -0.68 2.96 -0.83 -1.26 118.68 123.86 2bka s LEU 130 Ca -0.06 -0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 2bka s LEU 130 Cb -0.15 -2.92 0.00 0.00 0.50 0.00 0.00 46.19 43.61 2bka s LEU 130 CO 0.02 -0.83 0.00 -0.24 -1.32 0.00 0.00 176.35 173.97 2bka n SER 131 N 6.53 0.00 -3.81 3.68 2.88 0.64 -4.90 113.62 118.65 2bka n SER 131 Ca 0.02 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.43 2bka n SER 131 Cb 0.48 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.84 2bka n SER 131 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2bka s SER 132 N 0.10 -0.12 0.33 -3.46 0.15 -1.25 -4.33 113.70 105.13 2bka s SER 132 Ca 0.00 0.05 -0.28 0.00 0.70 0.00 0.00 55.95 56.41 2bka s SER 132 Cb 0.00 0.31 -0.12 0.00 -1.71 0.00 0.00 66.02 64.50 2bka s SER 132 CO 0.00 -0.35 1.32 1.17 1.20 0.00 0.00 173.24 176.58 2bka n LYS 133 N 1.67 2.16 -0.22 5.44 4.81 -0.31 -1.70 118.16 130.01 2bka n LYS 133 Ca -0.20 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 2bka n LYS 133 Cb 0.56 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.25 2bka n LYS 133 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2bka n GLY 134 N 0.90 1.18 3.62 3.14 0.00 -1.26 -4.97 105.19 107.80 2bka n GLY 134 Ca 0.05 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.58 2bka n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bka n ALA 135 N -0.76 0.02 -3.29 4.61 0.00 -0.69 -4.88 120.51 115.52 2bka n ALA 135 Ca 0.00 0.49 0.03 0.00 0.00 0.00 0.00 53.44 53.95 2bka n ALA 135 Cb 0.00 -2.19 -0.02 0.00 0.00 0.00 0.00 19.45 17.24 2bka n ALA 135 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bka s ASP 136 N 0.64 -1.19 0.12 0.00 -1.08 -0.65 -4.71 116.67 109.80 2bka s ASP 136 Ca 0.82 1.00 0.11 0.00 -0.52 0.00 0.00 52.55 53.95 2bka s ASP 136 Cb -0.83 2.10 0.54 0.00 -1.46 0.00 0.00 42.92 43.27 2bka s ASP 136 CO 0.43 -0.22 1.34 2.29 0.52 0.00 0.00 175.17 179.53 2bka n LYS 137 N 5.41 0.06 0.00 4.34 2.85 -1.26 -1.11 118.16 128.45 2bka n LYS 137 Ca -0.05 0.49 0.12 0.00 -1.05 0.00 0.00 58.31 57.82 2bka n LYS 137 Cb 0.51 -1.67 0.10 0.00 -0.65 0.00 0.00 35.03 33.31 2bka n LYS 137 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2bka n SER 138 N -1.80 2.35 -4.74 -5.58 7.64 -1.26 -4.84 113.62 105.40 2bka n SER 138 Ca 0.00 -1.68 -0.37 0.00 1.01 0.00 0.00 58.87 57.82 2bka n SER 138 Cb 0.06 0.22 0.05 0.00 -1.01 0.00 0.00 64.21 63.53 2bka n SER 138 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2bka s SER 139 N -2.24 4.91 0.00 6.43 0.15 -0.27 -4.92 113.70 117.76 2bka s SER 139 Ca 0.24 2.66 0.27 0.00 0.70 0.00 0.00 55.95 59.82 2bka s SER 139 Cb 0.19 -2.62 0.89 0.00 -1.71 0.00 0.00 66.02 62.77 2bka s SER 139 CO 0.44 -1.80 1.65 0.59 1.20 0.00 0.00 173.24 175.31 2bka n ASN 140 N -1.54 0.85 -4.56 5.45 3.02 -1.26 -4.56 115.26 112.66 2bka n ASN 140 Ca 0.14 -0.78 -0.40 0.00 -0.03 0.00 0.00 54.58 53.50 2bka n ASN 140 Cb 0.47 0.07 -0.09 0.00 -0.61 0.00 0.00 39.78 39.62 2bka n ASN 140 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2bka s PHE 141 N -2.51 3.21 0.25 3.10 5.99 -1.26 -4.98 117.98 121.79 2bka s PHE 141 Ca 0.25 0.14 -0.07 0.00 0.00 0.00 0.00 56.93 57.25 2bka s PHE 141 Cb 0.19 -2.70 0.45 0.00 0.00 0.00 0.00 43.02 40.97 2bka s PHE 141 CO 0.51 -0.40 1.62 1.25 -0.00 0.00 0.00 175.22 178.20 2bka h LEU 142 N 8.78 -0.46 0.14 6.12 5.85 -1.99 -0.14 115.31 133.61 2bka h LEU 142 Ca -0.30 0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.65 2bka h LEU 142 Cb 1.14 0.40 -0.02 0.00 0.37 0.00 0.00 40.66 42.55 2bka h LEU 142 CO 0.70 -0.22 -0.19 0.22 -0.34 0.00 0.00 178.44 178.60 2bka h TYR 143 N 0.07 -0.51 -0.01 1.25 3.20 -1.97 -1.31 116.97 117.69 2bka h TYR 143 Ca 0.43 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.19 2bka h TYR 143 Cb 0.75 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 2bka h TYR 143 CO -0.48 -0.29 -0.53 -0.07 -1.64 0.00 0.00 178.16 175.15 2bka h LEU 144 N -0.39 0.02 -0.10 2.82 3.38 -1.74 -1.93 115.31 117.38 2bka h LEU 144 Ca 0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2bka h LEU 144 Cb 0.39 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2bka h LEU 144 CO -0.09 0.55 0.02 -0.61 0.09 0.00 0.00 178.44 178.40 2bka h GLN 145 N 0.02 0.16 -0.71 1.13 -0.00 -0.83 -1.01 115.11 113.85 2bka h GLN 145 Ca -0.00 -0.04 -0.05 0.00 -0.00 0.00 0.00 58.65 58.55 2bka h GLN 145 Cb 0.94 -0.02 -0.03 0.00 0.00 0.00 0.00 27.48 28.37 2bka h GLN 145 CO 0.07 0.34 0.24 0.28 0.00 0.00 0.00 178.83 179.76 2bka h VAL 146 N -0.05 1.26 -0.60 2.39 2.07 -1.15 0.19 116.25 120.36 2bka h VAL 146 Ca 0.03 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 2bka h VAL 146 Cb 0.25 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 2bka h VAL 146 CO 0.00 0.34 0.27 0.11 0.02 0.00 0.00 177.57 178.31 2bka h LYS 147 N 1.04 0.88 -0.60 1.57 1.79 -1.24 -0.16 116.57 119.86 2bka h LYS 147 Ca 0.23 -0.14 -0.08 0.00 -2.18 0.00 0.00 60.65 58.49 2bka h LYS 147 Cb 0.28 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 2bka h LYS 147 CO -0.01 0.73 0.07 0.78 -1.08 0.00 0.00 179.45 179.93 2bka h GLY 148 N 0.83 1.07 0.77 3.86 0.00 -0.85 -1.97 103.07 106.77 2bka h GLY 148 Ca 0.21 -0.71 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 2bka h GLY 148 CO -0.02 0.66 -0.02 -2.09 0.00 0.00 0.00 176.54 175.06 2bka h GLU 149 N 0.93 0.28 -0.14 4.80 4.81 -0.49 -2.70 114.58 122.07 2bka h GLU 149 Ca 0.18 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 2bka h GLU 149 Cb 0.44 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2bka h GLU 149 CO 0.01 0.54 -0.27 -0.24 -0.73 0.00 0.00 179.01 178.32 2bka h VAL 150 N -0.00 1.25 -0.49 0.32 3.04 -0.99 -1.15 116.25 118.23 2bka h VAL 150 Ca 0.04 -1.18 0.02 0.00 -1.01 0.00 0.00 66.70 64.57 2bka h VAL 150 Cb 0.43 1.45 -0.03 0.00 -2.01 0.00 0.00 31.29 31.13 2bka h VAL 150 CO 0.01 0.36 0.29 -0.33 -1.01 0.00 0.00 177.57 176.89 2bka h GLU 151 N 0.22 0.56 -0.49 4.17 5.08 -1.27 -0.89 114.58 121.96 2bka h GLU 151 Ca 0.03 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2bka h GLU 151 Cb 0.61 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2bka h GLU 151 CO 0.04 0.37 -0.10 0.00 -1.00 0.00 0.00 179.01 178.32 2bka h ALA 152 N 1.21 0.68 -0.22 3.43 0.00 -1.11 -1.92 119.26 121.34 2bka h ALA 152 Ca 0.19 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2bka h ALA 152 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2bka h ALA 152 CO -0.09 0.58 -0.33 0.87 0.00 0.00 0.00 179.25 180.29 2bka h LYS 153 N 0.80 0.45 -0.02 0.00 1.57 -0.96 -2.51 116.57 115.90 2bka h LYS 153 Ca 0.13 -0.20 -0.15 0.00 -1.87 0.00 0.00 60.65 58.56 2bka h LYS 153 Cb 0.66 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 2bka h LYS 153 CO 0.05 0.73 -0.69 0.28 -0.57 0.00 0.00 179.45 179.25 2bka h VAL 154 N 0.39 1.45 -0.45 0.50 2.07 -1.08 -2.92 116.25 116.21 2bka h VAL 154 Ca 0.05 -2.26 -0.00 0.00 0.82 0.00 0.00 66.70 65.30 2bka h VAL 154 Cb 0.76 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 2bka h VAL 154 CO 0.06 0.66 0.27 -0.08 0.02 0.00 0.00 177.57 178.49 2bka h GLU 155 N 0.08 0.61 0.00 1.57 4.22 -0.93 -1.68 114.58 118.44 2bka h GLU 155 Ca -0.01 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.38 2bka h GLU 155 Cb 1.22 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2bka h GLU 155 CO 0.10 0.43 0.00 0.93 -2.18 0.00 0.00 179.01 178.29 2bka h GLU 156 N 0.62 0.00 0.00 1.92 5.08 -1.26 -2.26 114.58 118.67 2bka h GLU 156 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2bka h GLU 156 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2bka h GLU 156 CO -0.03 0.00 0.00 -0.07 -1.00 0.00 0.00 179.01 177.91 2bka h LEU 157 N 0.00 0.00 -2.62 1.33 3.38 -1.38 -3.48 115.31 112.54 2bka h LEU 157 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 2bka h LEU 157 Cb 0.26 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.14 2bka h LEU 157 CO 0.00 0.00 -0.89 0.29 0.09 0.00 0.00 178.44 177.93 2bka n LYS 158 N -2.49 -2.45 -1.20 1.13 4.76 -0.85 -4.98 118.16 112.08 2bka n LYS 158 Ca 0.02 0.65 -0.32 0.00 -2.87 0.00 0.00 58.31 55.80 2bka n LYS 158 Cb 0.30 -4.99 0.11 0.00 -1.84 0.00 0.00 35.03 28.60 2bka n LYS 158 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2bka s PHE 159 N -3.47 2.27 0.34 2.13 0.40 -1.26 -4.88 117.98 113.50 2bka s PHE 159 Ca 0.37 1.62 0.03 0.00 -0.60 0.00 0.00 56.93 58.35 2bka s PHE 159 Cb -0.09 -3.19 0.62 0.00 0.51 0.00 0.00 43.02 40.87 2bka s PHE 159 CO 0.80 -2.13 1.96 -0.44 0.70 0.00 0.00 175.22 176.11 2bka h ASP 160 N -1.07 0.78 -3.37 1.36 3.32 -1.82 -3.40 116.42 112.22 2bka h ASP 160 Ca -0.44 -0.01 -0.26 0.00 0.02 0.00 0.00 57.03 56.35 2bka h ASP 160 Cb 1.25 -0.18 -0.33 0.00 0.22 0.00 0.00 39.33 40.30 2bka h ASP 160 CO 0.49 0.53 -0.61 -0.60 -1.72 0.00 0.00 179.24 177.33 2bka s ARG 161 N -5.78 0.08 -0.11 3.56 3.52 -0.39 -4.51 118.95 115.32 2bka s ARG 161 Ca -0.10 0.40 -0.00 0.00 -0.13 0.00 0.00 55.73 55.89 2bka s ARG 161 Cb 0.19 -0.20 0.02 0.00 -1.56 0.00 0.00 34.95 33.40 2bka s ARG 161 CO 0.78 -0.19 -0.08 -0.47 -0.81 0.00 0.00 175.30 174.53 2bka s TYR 162 N 1.38 1.51 -0.14 5.12 5.04 0.26 -1.39 117.35 129.12 2bka s TYR 162 Ca -0.07 -0.76 0.01 0.00 -2.44 0.00 0.00 57.07 53.82 2bka s TYR 162 Cb -0.12 -1.25 0.00 0.00 0.35 0.00 0.00 41.96 40.95 2bka s TYR 162 CO -0.06 -0.52 -0.18 -1.12 -1.34 0.00 0.00 175.55 172.33 2bka s SER 163 N 1.70 3.44 -0.12 4.32 0.01 -0.38 -0.64 113.70 122.03 2bka s SER 163 Ca 0.05 -0.51 -0.00 0.00 1.31 0.00 0.00 55.95 56.79 2bka s SER 163 Cb -0.13 -1.51 -0.02 0.00 0.21 0.00 0.00 66.02 64.57 2bka s SER 163 CO -0.08 0.10 -0.11 -0.69 0.41 0.00 0.00 173.24 172.87 2bka s VAL 164 N 0.73 3.30 -0.15 3.43 1.01 0.19 -0.67 120.40 128.24 2bka s VAL 164 Ca -0.08 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 2bka s VAL 164 Cb -0.16 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 2bka s VAL 164 CO 0.01 0.53 -0.11 -0.36 0.00 0.00 0.00 175.10 175.17 2bka s PHE 165 N 0.13 2.86 -0.72 5.22 0.40 -0.39 -0.85 117.98 124.62 2bka s PHE 165 Ca -0.05 -0.73 0.04 0.00 -0.60 0.00 0.00 56.93 55.59 2bka s PHE 165 Cb -0.14 -1.91 0.27 0.00 0.51 0.00 0.00 43.02 41.75 2bka s PHE 165 CO 0.04 -0.30 0.93 0.54 0.70 0.00 0.00 175.22 177.14 2bka n ARG 166 N 3.84 3.04 -1.75 0.44 1.74 -0.06 -0.26 116.66 123.65 2bka n ARG 166 Ca -0.18 -4.68 -0.33 0.00 -0.77 0.00 0.00 57.85 51.89 2bka n ARG 166 Cb 0.52 -2.31 0.04 0.00 -1.02 0.00 0.00 32.46 29.70 2bka n ARG 166 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2bka s PRO 167 N -2.70 2.87 0.00 5.56 0.04 -1.26 -2.81 135.00 136.70 2bka s PRO 167 Ca 0.39 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2bka s PRO 167 Cb 0.15 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2bka s PRO 167 CO -0.01 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.26 2bka n GLY 168 N -0.82 -1.05 3.70 0.56 0.00 -1.26 -1.16 105.19 105.16 2bka n GLY 168 Ca 0.10 -1.64 -0.44 0.00 0.00 0.00 0.00 46.02 44.04 2bka n GLY 168 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2bka n VAL 169 N -1.19 0.61 -2.64 1.61 0.31 -0.81 -4.52 118.33 111.70 2bka n VAL 169 Ca 0.00 -0.15 -0.42 0.00 -0.01 0.00 0.00 64.34 63.75 2bka n VAL 169 Cb 0.00 -1.69 -0.03 0.00 -0.91 0.00 0.00 33.84 31.21 2bka n VAL 169 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2bka s LEU 170 N 0.29 4.27 0.39 7.52 1.43 -1.26 -1.70 118.68 129.62 2bka s LEU 170 Ca 0.71 1.62 0.07 0.00 -1.03 0.00 0.00 54.13 55.50 2bka s LEU 170 Cb -0.60 -3.56 -0.00 0.00 0.03 0.00 0.00 46.19 42.06 2bka s LEU 170 CO 0.44 -0.46 0.48 -0.76 0.23 0.00 0.00 176.35 176.29 2bka s LEU 171 N 1.92 3.70 0.18 1.79 1.43 -0.25 -4.88 118.68 122.57 2bka s LEU 171 Ca 0.51 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 2bka s LEU 171 Cb -0.20 -2.55 -0.00 0.00 0.03 0.00 0.00 46.19 43.47 2bka s LEU 171 CO 0.20 -0.61 0.34 0.00 0.23 0.00 0.00 176.35 176.52 2bka n ASP 173 N -0.25 0.20 -2.53 0.00 8.00 -1.26 -1.72 116.55 118.98 2bka n ASP 173 Ca -0.07 -1.18 -0.16 0.00 0.71 0.00 0.00 54.79 54.09 2bka n ASP 173 Cb 0.63 -2.14 -0.00 0.00 -0.02 0.00 0.00 41.12 39.58 2bka n ASP 173 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2bka n ARG 174 N -4.54 -2.34 0.07 -1.24 1.74 -1.26 -4.85 116.66 104.24 2bka n ARG 174 Ca -0.31 0.72 0.18 0.00 -0.77 0.00 0.00 57.85 57.67 2bka n ARG 174 Cb 0.69 -5.36 0.70 0.00 -1.02 0.00 0.00 32.46 27.47 2bka n ARG 174 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2bka h GLN 175 N -0.16 0.00 0.00 5.56 4.20 -1.72 -1.19 115.11 121.80 2bka h GLN 175 Ca -0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.34 2bka h GLN 175 Cb 1.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 2bka h GLN 175 CO 0.44 0.00 0.00 1.05 -0.67 0.00 0.00 178.83 179.65 2bka h GLU 176 N 0.00 0.00 0.00 1.46 9.09 -1.89 -2.86 114.58 120.38 2bka h GLU 176 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.60 2bka h GLU 176 Cb 0.79 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.89 2bka h GLU 176 CO -0.00 0.00 0.00 -1.13 0.05 0.00 0.00 179.01 177.93 2bka n SER 177 N -2.62 1.67 -5.00 3.06 3.41 -0.47 -4.84 113.62 108.83 2bka n SER 177 Ca -0.00 -1.78 -0.19 0.00 -0.26 0.00 0.00 58.87 56.65 2bka n SER 177 Cb 0.17 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.14 2bka n SER 177 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2bka s ARG 178 N -0.78 2.71 0.57 4.33 0.52 -1.06 -4.99 118.95 120.26 2bka s ARG 178 Ca 0.00 -1.07 0.29 0.00 -0.52 0.00 0.00 55.73 54.43 2bka s ARG 178 Cb 0.00 -2.65 1.49 0.00 0.52 0.00 0.00 34.95 34.30 2bka s ARG 178 CO 0.00 -0.45 1.94 -1.35 0.02 0.00 0.00 175.30 175.46 2bka h PRO 179 N 0.42 0.00 -0.22 3.54 0.11 -1.93 -1.59 132.00 132.32 2bka h PRO 179 Ca -0.41 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 2bka h PRO 179 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2bka h PRO 179 CO 0.48 0.00 0.10 0.78 -0.21 0.00 0.00 178.00 179.15 2bka h GLY 180 N 0.00 0.32 1.25 -0.55 0.00 -1.94 -1.65 103.07 100.49 2bka h GLY 180 Ca 0.23 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.34 2bka h GLY 180 CO -0.00 0.13 -0.01 -2.09 0.00 0.00 0.00 176.54 174.57 2bka h GLU 181 N 0.30 0.91 -0.35 4.80 4.22 -1.39 -0.33 114.58 122.74 2bka h GLU 181 Ca 0.08 -0.27 -0.06 0.00 0.08 0.00 0.00 59.36 59.19 2bka h GLU 181 Cb 0.05 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2bka h GLU 181 CO -0.01 0.90 -0.01 2.35 -2.18 0.00 0.00 179.01 180.07 2bka h TRP 182 N 0.84 0.69 -0.26 0.92 7.01 -1.43 -0.44 115.95 123.28 2bka h TRP 182 Ca 0.16 -0.12 -0.01 0.00 2.11 0.00 0.00 58.89 61.03 2bka h TRP 182 Cb 0.51 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 2bka h TRP 182 CO 0.03 0.74 0.14 -0.07 -2.79 0.00 0.00 178.44 176.49 2bka h LEU 183 N 0.44 0.33 -0.42 0.65 3.38 -1.13 -0.21 115.31 118.34 2bka h LEU 183 Ca 0.10 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2bka h LEU 183 Cb 0.47 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2bka h LEU 183 CO 0.02 0.33 -0.04 0.58 0.09 0.00 0.00 178.44 179.42 2bka h VAL 184 N 0.30 1.27 -0.62 1.22 2.07 -1.00 -1.97 116.25 117.52 2bka h VAL 184 Ca 0.09 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 2bka h VAL 184 Cb 0.08 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2bka h VAL 184 CO -0.01 0.38 0.17 -0.09 0.02 0.00 0.00 177.57 178.03 2bka h ARG 185 N 0.60 0.97 -0.21 1.57 2.43 -0.98 -2.64 114.38 116.12 2bka h ARG 185 Ca 0.11 -0.22 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 2bka h ARG 185 Cb 0.55 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2bka h ARG 185 CO 0.03 0.87 -0.22 -0.22 -1.51 0.00 0.00 179.97 178.92 2bka h LYS 186 N 0.89 0.38 -0.66 0.20 1.63 -0.96 -2.23 116.57 115.82 2bka h LYS 186 Ca 0.20 -0.13 -0.00 0.00 -0.85 0.00 0.00 60.65 59.87 2bka h LYS 186 Cb 0.32 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.89 2bka h LYS 186 CO -0.00 0.59 0.40 0.35 -3.45 0.00 0.00 179.45 177.33 2bka h PHE 187 N 0.35 0.87 -0.00 1.91 3.57 -1.01 -1.91 116.94 120.72 2bka h PHE 187 Ca 0.06 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2bka h PHE 187 Cb 0.58 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.04 2bka h PHE 187 CO 0.01 0.58 -0.09 1.19 -2.23 0.00 0.00 178.31 177.78 2bka n PHE 188 N -4.40 0.00 0.00 0.41 3.72 -0.87 -5.04 117.46 111.28 2bka n PHE 188 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 2bka n PHE 188 Cb 0.07 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.18 2bka n PHE 188 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bka n GLY 189 N 1.48 0.70 3.45 1.37 0.00 -0.72 -4.96 105.19 106.52 2bka n GLY 189 Ca 0.07 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 2bka n GLY 189 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bka s SER 190 N -4.00 6.21 0.20 1.61 0.15 -1.26 -4.18 113.70 112.42 2bka s SER 190 Ca 0.00 -0.94 0.07 0.00 0.70 0.00 0.00 55.95 55.78 2bka s SER 190 Cb 0.00 -2.39 -0.05 0.00 -1.71 0.00 0.00 66.02 61.88 2bka s SER 190 CO 0.00 -1.29 -0.14 -0.76 1.20 0.00 0.00 173.24 172.25 2bka s LEU 191 N 3.66 2.55 0.61 3.45 1.43 -1.26 -5.14 118.68 123.98 2bka s LEU 191 Ca 0.21 -1.02 -0.16 0.00 -1.03 0.00 0.00 54.13 52.13 2bka s LEU 191 Cb -0.18 -0.63 -0.02 0.00 0.03 0.00 0.00 46.19 45.39 2bka s LEU 191 CO 0.11 -0.19 1.10 -2.16 0.23 0.00 0.00 176.35 175.45 2bka s PRO 192 N -3.64 3.06 0.12 1.29 0.04 -1.26 -4.92 135.00 129.69 2bka s PRO 192 Ca 0.22 1.41 0.08 0.00 0.04 0.00 0.00 61.00 62.74 2bka s PRO 192 Cb -0.00 -1.98 0.43 0.00 0.04 0.00 0.00 34.50 32.98 2bka s PRO 192 CO 0.06 -1.05 1.22 -0.25 0.04 0.00 0.00 177.00 177.02 2bka n ASP 193 N -2.03 0.20 -1.00 6.66 8.00 -1.26 -1.30 116.55 125.83 2bka n ASP 193 Ca 0.10 0.57 0.09 0.00 0.71 0.00 0.00 54.79 56.27 2bka n ASP 193 Cb 0.52 -0.60 0.23 0.00 -0.02 0.00 0.00 41.12 41.26 2bka n ASP 193 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2bka n SER 194 N -1.76 3.43 -0.19 -2.24 3.41 -1.26 -4.60 113.62 110.40 2bka n SER 194 Ca -0.01 -1.99 -0.03 0.00 -0.26 0.00 0.00 58.87 56.59 2bka n SER 194 Cb 0.04 -0.35 0.07 0.00 -0.26 0.00 0.00 64.21 63.71 2bka n SER 194 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 2bka h TRP 195 N 3.25 0.52 -0.57 7.33 7.01 -1.56 -2.90 115.95 129.02 2bka h TRP 195 Ca 0.00 0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.11 2bka h TRP 195 Cb 0.86 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.74 2bka h TRP 195 CO 0.35 0.24 0.38 0.00 -2.79 0.00 0.00 178.44 176.62 2bka h ALA 196 N 1.31 2.01 0.00 2.65 0.00 -1.82 -2.02 119.26 121.39 2bka h ALA 196 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2bka h ALA 196 Cb 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2bka h ALA 196 CO -0.18 -0.13 0.00 0.77 0.00 0.00 0.00 179.25 179.70 2bka h SER 197 N 0.39 0.00 1.34 0.00 0.02 -1.74 -1.73 113.55 111.83 2bka h SER 197 Ca 0.26 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.11 2bka h SER 197 Cb 0.50 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 2bka h SER 197 CO -0.07 0.00 -0.46 1.23 -1.14 0.00 0.00 176.83 176.39 2bka h GLY 198 N 0.71 0.00 0.00 -3.77 0.00 -1.52 -3.37 103.07 95.12 2bka h GLY 198 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2bka h GLY 198 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.96 2bka n HIS 199 N -3.29 0.00 -4.09 5.60 8.25 -0.90 -4.95 115.22 115.85 2bka n HIS 199 Ca 0.01 -0.04 -0.12 0.00 -0.26 0.00 0.00 57.72 57.32 2bka n HIS 199 Cb 0.67 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.71 2bka n HIS 199 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2bka s SER 200 N -0.09 0.27 -0.28 0.41 1.04 -0.70 -1.93 113.70 112.42 2bka s SER 200 Ca 0.00 -1.22 -0.24 0.00 0.48 0.00 0.00 55.95 54.97 2bka s SER 200 Cb 0.00 0.54 0.11 0.00 0.10 0.00 0.00 66.02 66.78 2bka s SER 200 CO 0.00 -1.09 0.96 0.54 0.98 0.00 0.00 173.24 174.64 2bka s VAL 201 N -3.82 0.00 0.35 5.02 0.11 -0.69 -4.53 120.40 116.85 2bka s VAL 201 Ca 0.30 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 59.07 2bka s VAL 201 Cb 0.02 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.77 2bka s VAL 201 CO 0.13 0.00 1.34 -2.84 -3.33 0.00 0.00 175.10 170.40 2bka s PRO 202 N 0.41 4.26 0.38 1.54 0.02 -1.26 -1.09 135.00 139.26 2bka s PRO 202 Ca 0.01 2.28 0.06 0.00 0.02 0.00 0.00 61.00 63.37 2bka s PRO 202 Cb -0.05 -3.01 0.79 0.00 0.02 0.00 0.00 34.50 32.25 2bka s PRO 202 CO -0.06 -0.29 2.01 -0.24 -0.33 0.00 0.00 177.00 178.08 2bka h VAL 203 N 2.95 1.07 -0.18 3.83 3.04 -1.54 -1.18 116.25 124.23 2bka h VAL 203 Ca -0.49 -0.23 -0.07 0.00 -1.01 0.00 0.00 66.70 64.90 2bka h VAL 203 Cb 1.23 0.34 -0.01 0.00 -2.01 0.00 0.00 31.29 30.83 2bka h VAL 203 CO 0.65 0.12 -0.19 -0.37 -1.01 0.00 0.00 177.57 176.77 2bka h VAL 204 N 0.68 1.22 -0.37 1.51 -1.51 -1.91 -1.17 116.25 114.71 2bka h VAL 204 Ca 0.23 -1.01 -0.13 0.00 -1.23 0.00 0.00 66.70 64.56 2bka h VAL 204 Cb 0.09 1.30 -0.01 0.00 -2.13 0.00 0.00 31.29 30.54 2bka h VAL 204 CO -0.06 0.32 -0.29 0.74 -1.23 0.00 0.00 177.57 177.04 2bka h THR 205 N 0.29 1.28 -0.36 7.19 2.02 -1.52 -0.28 112.91 121.53 2bka h THR 205 Ca 0.05 -1.43 -0.03 0.00 0.77 0.00 0.00 66.41 65.77 2bka h THR 205 Cb 0.51 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 2bka h THR 205 CO 0.03 0.47 0.12 0.58 0.37 0.00 0.00 175.52 177.09 2bka h VAL 206 N 0.67 1.21 -0.56 3.16 2.07 -0.75 -0.51 116.25 121.54 2bka h VAL 206 Ca 0.08 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.87 2bka h VAL 206 Cb 0.82 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 2bka h VAL 206 CO 0.07 0.23 0.12 0.58 0.02 0.00 0.00 177.57 178.59 2bka h VAL 207 N 0.43 1.25 -0.56 2.57 2.07 -1.08 -0.71 116.25 120.21 2bka h VAL 207 Ca 0.12 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 2bka h VAL 207 Cb 0.24 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2bka h VAL 207 CO -0.00 0.33 0.18 0.03 0.02 0.00 0.00 177.57 178.13 2bka h ARG 208 N 0.80 0.84 -0.47 1.57 3.08 -0.86 -0.79 114.38 118.55 2bka h ARG 208 Ca 0.17 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 2bka h ARG 208 Cb 0.37 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2bka h ARG 208 CO 0.01 0.73 0.07 0.00 -1.07 0.00 0.00 179.97 179.70 2bka h ALA 209 N 1.38 0.63 -0.71 0.04 0.00 -0.68 0.16 119.26 120.07 2bka h ALA 209 Ca 0.19 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2bka h ALA 209 Cb 0.23 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2bka h ALA 209 CO -0.01 0.37 0.47 0.52 0.00 0.00 0.00 179.25 180.60 2bka h MET 210 N 0.66 0.92 0.00 0.00 2.86 -0.51 -0.66 114.93 118.20 2bka h MET 210 Ca 0.14 -0.06 -0.16 0.00 -2.06 0.00 0.00 59.70 57.56 2bka h MET 210 Cb 0.41 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 2bka h MET 210 CO 0.01 0.61 -0.78 -0.07 1.06 0.00 0.00 176.91 177.74 2bka h LEU 211 N 0.95 0.00 -0.67 1.22 3.38 -0.96 -1.59 115.31 117.63 2bka h LEU 211 Ca 0.26 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.09 2bka h LEU 211 Cb -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2bka h LEU 211 CO -0.06 0.78 -0.56 0.78 0.09 0.00 0.00 178.44 179.46 2bka h ASN 212 N 0.00 0.34 0.10 -0.43 -0.26 -0.51 -3.10 115.58 111.72 2bka h ASN 212 Ca -0.01 -0.18 -0.20 0.00 -0.56 0.00 0.00 56.30 55.35 2bka h ASN 212 Cb 1.57 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 38.73 2bka h ASN 212 CO 0.10 0.83 -0.75 -1.13 -1.06 0.00 0.00 177.43 175.42 2bka h ASN 213 N 0.23 0.67 0.16 5.81 -1.24 -1.03 -3.25 115.58 116.93 2bka h ASN 213 Ca 0.00 -0.44 -0.02 0.00 0.71 0.00 0.00 56.30 56.55 2bka h ASN 213 Cb 1.06 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.91 2bka h ASN 213 CO 0.09 1.20 -0.10 1.62 -1.29 0.00 0.00 177.43 178.95 2bka h VAL 214 N 0.38 0.84 -0.01 2.57 3.04 -1.21 -2.06 116.25 119.80 2bka h VAL 214 Ca -0.04 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 2bka h VAL 214 Cb 1.35 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.84 2bka h VAL 214 CO 0.14 0.10 -0.22 1.33 -1.01 0.00 0.00 177.57 177.91 2bka n VAL 215 N -4.09 0.00 -2.67 1.51 0.24 -1.21 -4.86 118.33 107.26 2bka n VAL 215 Ca -0.03 -0.14 -0.39 0.00 -2.04 0.00 0.00 64.34 61.74 2bka n VAL 215 Cb 0.18 0.39 -0.05 0.00 -1.47 0.00 0.00 33.84 32.88 2bka n VAL 215 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2bka s ARG 216 N -2.44 4.69 0.39 7.34 0.52 -0.78 -4.77 118.95 123.90 2bka s ARG 216 Ca 0.26 1.54 -0.28 0.00 -0.52 0.00 0.00 55.73 56.74 2bka s ARG 216 Cb 0.19 -3.10 -0.10 0.00 0.52 0.00 0.00 34.95 32.46 2bka s ARG 216 CO 0.49 0.34 1.46 -2.14 0.02 0.00 0.00 175.30 175.48 2bka s PRO 217 N -1.53 4.06 0.32 3.54 0.02 -1.26 -4.89 135.00 135.26 2bka s PRO 217 Ca 0.45 2.52 -0.29 0.00 0.02 0.00 0.00 61.00 63.70 2bka s PRO 217 Cb -0.26 -2.92 -0.12 0.00 0.02 0.00 0.00 34.50 31.22 2bka s PRO 217 CO 0.32 -0.55 1.36 -2.13 -0.33 0.00 0.00 177.00 175.67 2bka n ARG 218 N 0.37 2.23 0.00 5.54 0.63 -1.26 -4.91 116.66 119.26 2bka n ARG 218 Ca 0.02 0.78 0.00 0.00 -0.92 0.00 0.00 57.85 57.73 2bka n ARG 218 Cb 0.40 -2.42 0.00 0.00 0.45 0.00 0.00 32.46 30.89 2bka n ARG 218 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2bka n ASP 219 N 1.12 0.00 -4.82 6.15 4.64 -1.26 -5.10 116.55 117.28 2bka n ASP 219 Ca 0.06 0.00 -0.33 0.00 -1.38 0.00 0.00 54.79 53.14 2bka n ASP 219 Cb 0.36 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.37 2bka n ASP 219 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 2bka s LYS 220 N 0.00 4.14 0.24 -0.67 -0.14 -1.26 -4.97 119.74 117.08 2bka s LYS 220 Ca 0.00 1.13 -0.01 0.00 -1.36 0.00 0.00 55.97 55.73 2bka s LYS 220 Cb 0.00 -2.16 0.29 0.00 -1.68 0.00 0.00 37.83 34.28 2bka s LYS 220 CO 0.00 -0.11 1.68 0.37 -0.76 0.00 0.00 175.35 176.52 2bka h GLN 221 N 1.74 0.65 -5.21 1.68 4.15 -1.94 -3.43 115.11 112.75 2bka h GLN 221 Ca -0.49 -0.25 -0.59 0.00 0.77 0.00 0.00 58.65 58.09 2bka h GLN 221 Cb 1.19 -0.04 -0.32 0.00 0.21 0.00 0.00 27.48 28.52 2bka h GLN 221 CO 0.61 0.82 -0.85 1.41 -1.93 0.00 0.00 178.83 178.89 2bka s MET 222 N -4.58 2.09 -0.04 1.69 1.75 -1.26 -0.58 119.30 118.37 2bka s MET 222 Ca -0.08 -0.65 0.04 0.00 -1.25 0.00 0.00 55.69 53.75 2bka s MET 222 Cb 0.13 -1.73 -0.00 0.00 2.84 0.00 0.00 34.83 36.07 2bka s MET 222 CO 0.81 0.20 -0.16 -1.21 -0.65 0.00 0.00 175.02 174.01 2bka s GLU 223 N 0.22 1.70 -0.12 4.11 2.02 0.19 -4.97 118.70 121.84 2bka s GLU 223 Ca -0.09 -0.58 -0.01 0.00 0.02 0.00 0.00 54.97 54.30 2bka s GLU 223 Cb -0.14 -1.49 0.03 0.00 0.10 0.00 0.00 34.13 32.63 2bka s GLU 223 CO 0.04 0.24 -0.04 -1.17 0.02 0.00 0.00 175.26 174.35 2bka s LEU 224 N 0.03 1.11 -0.27 1.80 0.20 -1.26 -0.64 118.68 119.66 2bka s LEU 224 Ca -0.03 -0.37 -0.08 0.00 0.69 0.00 0.00 54.13 54.33 2bka s LEU 224 Cb -0.11 -0.72 -0.02 0.00 -0.43 0.00 0.00 46.19 44.91 2bka s LEU 224 CO 0.02 -0.17 0.10 -0.76 -0.29 0.00 0.00 176.35 175.25 2bka s LEU 225 N 1.78 3.71 0.88 -0.68 1.02 -0.03 -4.98 118.68 120.38 2bka s LEU 225 Ca 0.03 -0.33 -0.13 0.00 0.02 0.00 0.00 54.13 53.73 2bka s LEU 225 Cb -0.13 -1.96 0.15 0.00 0.02 0.00 0.00 46.19 44.27 2bka s LEU 225 CO -0.07 -0.10 1.24 -1.61 0.02 0.00 0.00 176.35 175.83 2bka s GLU 226 N 1.62 1.22 0.25 1.70 0.41 -1.26 -0.88 118.70 121.76 2bka s GLU 226 Ca 0.06 -0.28 -0.03 0.00 -0.41 0.00 0.00 54.97 54.30 2bka s GLU 226 Cb -0.16 -1.93 0.44 0.00 -1.78 0.00 0.00 34.13 30.70 2bka s GLU 226 CO 0.05 -2.02 1.79 -0.97 -0.49 0.00 0.00 175.26 173.62 2bka h ASN 227 N -1.32 0.61 -0.38 -0.19 -1.24 -1.88 -1.43 115.58 109.74 2bka h ASN 227 Ca -0.44 0.06 -0.01 0.00 0.71 0.00 0.00 56.30 56.62 2bka h ASN 227 Cb 1.27 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 40.26 2bka h ASN 227 CO 0.48 0.32 0.19 0.50 -1.29 0.00 0.00 177.43 177.63 2bka h LYS 228 N 0.72 0.55 -0.39 6.67 1.63 -1.91 -1.11 116.57 122.73 2bka h LYS 228 Ca 0.42 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 60.11 2bka h LYS 228 Cb 0.46 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 2bka h LYS 228 CO -0.29 0.48 0.10 0.00 -3.45 0.00 0.00 179.45 176.29 2bka h ALA 229 N 1.04 1.46 -0.27 5.00 0.00 -1.76 -0.57 119.26 124.16 2bka h ALA 229 Ca 0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2bka h ALA 229 Cb 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2bka h ALA 229 CO -0.02 0.40 -0.01 0.82 0.00 0.00 0.00 179.25 180.45 2bka h ILE 230 N 0.56 1.26 -0.62 0.00 2.04 -0.83 0.46 117.51 120.37 2bka h ILE 230 Ca 0.13 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 65.09 2bka h ILE 230 Cb 0.20 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 2bka h ILE 230 CO -0.01 0.30 0.38 0.45 0.00 0.00 0.00 178.15 179.27 2bka h HIS 231 N 0.25 0.72 -0.30 1.37 3.86 -0.69 0.17 115.15 120.53 2bka h HIS 231 Ca 0.08 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 2bka h HIS 231 Cb 0.43 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 2bka h HIS 231 CO 0.04 0.41 0.02 -0.44 0.86 0.00 0.00 177.93 178.82 2bka h ASP 232 N 0.76 0.51 1.04 2.45 3.32 -0.88 -3.02 116.42 120.59 2bka h ASP 232 Ca 0.25 -0.29 -0.15 0.00 0.02 0.00 0.00 57.03 56.85 2bka h ASP 232 Cb 0.02 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2bka h ASP 232 CO -0.10 0.68 -0.74 0.25 -1.72 0.00 0.00 179.24 177.61 2bka h LEU 233 N 0.33 0.00 -0.49 1.55 5.85 -0.76 -3.23 115.31 118.57 2bka h LEU 233 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2bka h LEU 233 Cb 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2bka h LEU 233 CO 0.01 0.74 0.00 0.61 -0.34 0.00 0.00 178.44 179.46 2bka n GLY 234 N 0.99 -0.43 0.73 3.75 0.00 0.59 -4.44 105.19 106.38 2bka n GLY 234 Ca 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 2bka n GLY 234 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2bka n LYS 235 N -0.30 0.00 0.00 1.61 2.85 -1.14 -4.63 118.16 116.54 2bka n LYS 235 Ca 0.15 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.41 2bka n LYS 235 Cb 0.18 -0.22 0.00 0.00 -0.65 0.00 0.00 35.03 34.34 2bka n LYS 235 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35