#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bpb s PHE 2 N 0.00 3.63 -0.19 2.03 2.99 -1.26 -4.99 117.98 120.20 3bpb s PHE 2 Ca 0.00 0.68 0.06 0.00 0.00 0.00 0.00 56.93 57.67 3bpb s PHE 2 Cb 0.00 -2.07 -0.08 0.00 0.00 0.00 0.00 43.02 40.87 3bpb s PHE 2 CO 0.00 0.68 0.21 1.63 -0.00 0.00 0.00 175.22 177.75 3bpb n LYS 3 N 2.01 3.33 -3.92 0.44 5.02 0.89 -4.72 118.16 121.22 3bpb n LYS 3 Ca -0.18 -0.02 -0.10 0.00 -2.02 0.00 0.00 58.31 55.99 3bpb n LYS 3 Cb 0.54 -0.91 -0.10 0.00 -0.02 0.00 0.00 35.03 34.54 3bpb n LYS 3 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3bpb s HIS 4 N -1.87 0.15 0.06 2.13 3.76 -0.15 -2.65 115.29 116.71 3bpb s HIS 4 Ca 0.01 -0.33 0.05 0.00 -0.15 0.00 0.00 55.06 54.64 3bpb s HIS 4 Cb 0.04 -0.12 -0.03 0.00 1.11 0.00 0.00 32.58 33.59 3bpb s HIS 4 CO 0.25 -0.24 -0.14 0.42 -0.85 0.00 0.00 174.74 174.18 3bpb s ILE 5 N -1.44 1.07 -0.04 0.60 1.09 -0.67 -2.06 121.20 119.74 3bpb s ILE 5 Ca -0.15 -1.15 0.02 0.00 -1.10 0.00 0.00 60.65 58.27 3bpb s ILE 5 Cb -0.09 -1.01 0.02 0.00 -1.06 0.00 0.00 42.46 40.32 3bpb s ILE 5 CO 0.00 -0.13 -0.07 -0.63 -0.10 0.00 0.00 174.94 174.01 3bpb s ILE 6 N -1.08 0.69 0.06 2.92 1.01 -0.58 -1.42 121.20 122.80 3bpb s ILE 6 Ca -0.01 -0.25 -0.05 0.00 0.00 0.00 0.00 60.65 60.34 3bpb s ILE 6 Cb -0.09 -0.67 -0.02 0.00 0.01 0.00 0.00 42.46 41.70 3bpb s ILE 6 CO 0.02 0.25 0.10 0.00 0.00 0.00 0.00 174.94 175.30 3bpb s ALA 7 N 0.65 0.03 -0.04 9.38 0.00 -0.95 -1.36 121.76 129.48 3bpb s ALA 7 Ca -0.10 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.14 3bpb s ALA 7 Cb -0.13 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.33 3bpb s ALA 7 CO 0.01 -0.40 -0.13 0.50 0.00 0.00 0.00 175.76 175.74 3bpb s ARG 8 N -3.43 1.36 0.33 0.00 3.52 -1.26 0.14 118.95 119.61 3bpb s ARG 8 Ca 0.02 -0.45 -0.29 0.00 -0.13 0.00 0.00 55.73 54.89 3bpb s ARG 8 Cb 0.04 -1.21 -0.11 0.00 -1.56 0.00 0.00 34.95 32.11 3bpb s ARG 8 CO -0.08 0.17 1.43 0.99 -0.81 0.00 0.00 175.30 176.99 3bpb s THR 9 N 0.15 2.39 0.19 4.11 2.01 0.57 -4.55 115.64 120.50 3bpb s THR 9 Ca -0.04 0.38 -0.32 0.00 0.31 0.00 0.00 61.69 62.02 3bpb s THR 9 Cb -0.10 -3.24 -0.11 0.00 0.01 0.00 0.00 72.50 69.06 3bpb s THR 9 CO 0.01 0.08 1.65 -2.16 -0.69 0.00 0.00 174.62 173.51 3bpb s PRO 10 N -1.51 4.17 0.63 4.92 0.04 -1.26 -3.88 135.00 138.11 3bpb s PRO 10 Ca 0.54 2.49 -0.13 0.00 0.04 0.00 0.00 61.00 63.93 3bpb s PRO 10 Cb -0.43 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 30.97 3bpb s PRO 10 CO 0.54 -0.68 1.05 0.00 0.04 0.00 0.00 177.00 177.95 3bpb s ALA 11 N 1.16 2.77 0.26 8.56 0.00 -1.26 -4.86 121.76 128.38 3bpb s ALA 11 Ca 0.73 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.90 3bpb s ALA 11 Cb -0.47 -3.19 0.33 0.00 0.00 0.00 0.00 23.12 19.80 3bpb s ALA 11 CO 0.32 -0.91 1.68 0.00 0.00 0.00 0.00 175.76 176.84 3bpb h ARG 12 N -0.04 0.55 -0.00 0.00 3.08 -1.91 -1.78 114.38 114.26 3bpb h ARG 12 Ca -0.45 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.37 3bpb h ARG 12 Cb 1.21 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3bpb h ARG 12 CO 0.58 0.77 0.00 -1.13 -1.07 0.00 0.00 179.97 179.12 3bpb n SER 13 N -4.10 0.00 0.25 7.04 3.41 -1.26 -3.21 113.62 115.75 3bpb n SER 13 Ca -0.00 -0.66 0.10 0.00 -0.26 0.00 0.00 58.87 58.04 3bpb n SER 13 Cb 0.43 -0.00 0.70 0.00 -0.26 0.00 0.00 64.21 65.08 3bpb n SER 13 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3bpb h LEU 14 N 0.01 0.00 -2.36 1.04 5.85 -1.54 -1.05 115.31 117.25 3bpb h LEU 14 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3bpb h LEU 14 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 3bpb h LEU 14 CO 0.00 0.00 -0.03 -0.37 -0.34 0.00 0.00 178.44 177.70 3bpb h VAL 15 N 0.00 0.46 -1.14 1.05 -1.51 -1.81 -1.65 116.25 111.66 3bpb h VAL 15 Ca 0.02 -0.16 -0.68 0.00 -1.23 0.00 0.00 66.70 64.64 3bpb h VAL 15 Cb 0.07 1.11 -0.30 0.00 -2.13 0.00 0.00 31.29 30.04 3bpb h VAL 15 CO -0.00 0.03 0.78 0.47 -1.23 0.00 0.00 177.57 177.62 3bpb n ASP 16 N -3.67 7.48 -4.46 4.19 8.00 -0.40 -4.61 116.55 123.09 3bpb n ASP 16 Ca -0.03 -3.79 -0.29 0.00 0.71 0.00 0.00 54.79 51.39 3bpb n ASP 16 Cb 0.13 -0.95 0.15 0.00 -0.02 0.00 0.00 41.12 40.44 3bpb n ASP 16 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3bpb s GLY 17 N -1.85 1.66 -1.09 0.44 0.00 -0.62 -4.81 107.32 101.04 3bpb s GLY 17 Ca 0.62 -0.86 -0.17 0.00 0.00 0.00 0.00 44.72 44.31 3bpb s GLY 17 CO -0.07 -0.20 1.35 1.08 0.00 0.00 0.00 173.10 175.26 3bpb s LEU 18 N -5.97 4.75 0.67 0.66 1.43 -1.26 -4.99 118.68 113.96 3bpb s LEU 18 Ca 0.68 -2.38 -0.02 0.00 -1.03 0.00 0.00 54.13 51.38 3bpb s LEU 18 Cb -0.09 -2.44 0.09 0.00 0.03 0.00 0.00 46.19 43.78 3bpb s LEU 18 CO 0.52 -1.00 0.94 0.28 0.23 0.00 0.00 176.35 177.32 3bpb s THR 19 N 2.69 2.33 0.00 5.49 -1.32 -1.26 -4.74 115.64 118.83 3bpb s THR 19 Ca 0.40 -0.53 0.08 0.00 -1.21 0.00 0.00 61.69 60.43 3bpb s THR 19 Cb -0.03 -2.80 0.13 0.00 -1.51 0.00 0.00 72.50 68.29 3bpb s THR 19 CO -0.04 0.00 0.95 -1.54 -2.21 0.00 0.00 174.62 171.78 3bpb n SER 20 N -2.73 -0.05 -3.83 8.08 3.41 -1.26 -5.06 113.62 112.18 3bpb n SER 20 Ca 0.11 -1.80 -0.10 0.00 -0.26 0.00 0.00 58.87 56.82 3bpb n SER 20 Cb 0.60 -0.02 -0.08 0.00 -0.26 0.00 0.00 64.21 64.45 3bpb n SER 20 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3bpb s SER 21 N -1.10 0.03 0.50 4.04 1.04 -1.26 -5.05 113.70 111.90 3bpb s SER 21 Ca 0.10 -0.42 0.34 0.00 0.48 0.00 0.00 55.95 56.44 3bpb s SER 21 Cb 0.11 0.32 1.61 0.00 0.10 0.00 0.00 66.02 68.17 3bpb s SER 21 CO -0.05 -0.62 2.01 1.12 0.98 0.00 0.00 173.24 176.68 3bpb h HIS 22 N 3.19 0.00 -1.20 5.02 2.07 -2.00 -3.37 115.15 118.87 3bpb h HIS 22 Ca -0.33 0.00 0.35 0.00 -2.85 0.00 0.00 60.37 57.54 3bpb h HIS 22 Cb 1.20 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.13 3bpb h HIS 22 CO 0.47 0.00 1.13 1.28 -3.07 0.00 0.00 177.93 177.74 3bpb n LEU 23 N -2.80 0.00 0.00 6.12 4.77 -1.26 -4.89 117.00 118.93 3bpb n LEU 23 Ca -0.01 0.73 0.00 0.00 -0.03 0.00 0.00 56.01 56.71 3bpb n LEU 23 Cb 0.17 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3bpb n LEU 23 CO 0.21 -0.73 0.00 0.61 -1.33 0.00 0.00 177.39 176.15 3bpb n GLY 24 N -1.67 1.63 3.82 -0.72 0.00 -1.26 -5.01 105.19 101.98 3bpb n GLY 24 Ca 0.27 -2.14 -0.38 0.00 0.00 0.00 0.00 46.02 43.76 3bpb n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bpb s LYS 25 N -1.68 4.08 0.61 1.61 1.02 -1.26 -4.86 119.74 119.27 3bpb s LYS 25 Ca 0.00 0.60 -0.18 0.00 0.02 0.00 0.00 55.97 56.42 3bpb s LYS 25 Cb 0.00 -3.23 -0.02 0.00 -0.52 0.00 0.00 37.83 34.05 3bpb s LYS 25 CO 0.00 0.66 1.17 -1.25 -0.92 0.00 0.00 175.35 175.01 3bpb s PRO 26 N -1.09 2.92 -0.51 -1.68 0.04 -1.26 -5.00 135.00 128.41 3bpb s PRO 26 Ca 0.27 1.70 -0.16 0.00 0.04 0.00 0.00 61.00 62.84 3bpb s PRO 26 Cb -0.18 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.52 3bpb s PRO 26 CO 0.17 -1.22 0.47 0.34 0.04 0.00 0.00 177.00 176.80 3bpb s ASP 27 N -1.86 6.17 0.25 6.66 2.15 -1.26 -4.64 116.67 124.15 3bpb s ASP 27 Ca 0.74 -1.50 -0.13 0.00 0.43 0.00 0.00 52.55 52.09 3bpb s ASP 27 Cb -0.27 -2.21 0.34 0.00 -0.30 0.00 0.00 42.92 40.48 3bpb s ASP 27 CO 0.35 -0.78 1.56 0.22 -0.17 0.00 0.00 175.17 176.35 3bpb h TYR 28 N 8.85 -0.80 -0.71 -5.34 3.20 -1.94 0.60 116.97 120.83 3bpb h TYR 28 Ca -0.29 0.10 0.10 0.00 3.14 0.00 0.00 58.73 61.78 3bpb h TYR 28 Cb 1.10 0.50 -0.08 0.00 1.54 0.00 0.00 36.73 39.80 3bpb h TYR 28 CO 0.69 -0.41 0.34 0.00 -1.64 0.00 0.00 178.16 177.14 3bpb h ALA 29 N 1.66 0.99 -0.05 1.82 0.00 -1.99 0.37 119.26 122.06 3bpb h ALA 29 Ca 0.40 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.23 3bpb h ALA 29 Cb 0.65 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.44 3bpb h ALA 29 CO -0.99 -0.09 -0.55 -0.22 0.00 0.00 0.00 179.25 177.40 3bpb h LYS 30 N 0.56 0.46 -0.74 0.00 3.64 -0.85 -3.18 116.57 116.47 3bpb h LYS 30 Ca 0.36 -0.43 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3bpb h LYS 30 Cb 0.42 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 3bpb h LYS 30 CO -0.30 1.07 0.49 0.00 -2.27 0.00 0.00 179.45 178.44 3bpb h ALA 31 N 0.40 0.94 0.00 5.00 0.00 0.49 -1.06 119.26 125.03 3bpb h ALA 31 Ca -0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3bpb h ALA 31 Cb 1.22 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3bpb h ALA 31 CO 0.11 0.34 -0.08 1.25 0.00 0.00 0.00 179.25 180.87 3bpb h LEU 32 N 0.99 0.00 0.03 0.00 5.85 -0.34 -0.61 115.31 121.23 3bpb h LEU 32 Ca 0.27 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.83 3bpb h LEU 32 Cb -0.10 0.00 0.02 0.00 0.37 0.00 0.00 40.66 40.94 3bpb h LEU 32 CO -0.06 0.08 -0.67 -0.33 -0.34 0.00 0.00 178.44 177.11 3bpb h GLU 33 N 0.00 0.40 -0.79 1.25 4.39 -1.26 -2.83 114.58 115.73 3bpb h GLU 33 Ca -0.00 -0.47 -0.02 0.00 0.34 0.00 0.00 59.36 59.21 3bpb h GLU 33 Cb 0.15 0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 3bpb h GLU 33 CO 0.01 1.14 0.43 1.96 -1.16 0.00 0.00 179.01 181.39 3bpb h GLN 34 N -0.14 1.11 -0.58 2.33 4.20 -0.63 -1.15 115.11 120.25 3bpb h GLN 34 Ca -0.09 -0.13 0.03 0.00 0.06 0.00 0.00 58.65 58.51 3bpb h GLN 34 Cb 1.41 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.93 3bpb h GLN 34 CO 0.13 0.82 0.35 1.25 -0.67 0.00 0.00 178.83 180.71 3bpb h HIS 35 N 1.10 0.65 -0.21 2.96 2.76 -1.18 0.12 115.15 121.36 3bpb h HIS 35 Ca 0.28 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.46 3bpb h HIS 35 Cb 0.05 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.78 3bpb h HIS 35 CO 0.00 0.37 0.13 -0.97 -1.30 0.00 0.00 177.93 176.16 3bpb h ASN 36 N 0.69 0.25 -0.50 3.26 -1.24 -1.15 0.86 115.58 117.76 3bpb h ASN 36 Ca 0.23 -0.05 0.04 0.00 0.71 0.00 0.00 56.30 57.23 3bpb h ASN 36 Cb 0.02 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 38.98 3bpb h ASN 36 CO -0.10 0.23 0.33 0.00 -1.29 0.00 0.00 177.43 176.60 3bpb h ALA 37 N 1.03 1.81 -0.08 1.57 0.00 -0.79 -0.02 119.26 122.78 3bpb h ALA 37 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3bpb h ALA 37 Cb 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3bpb h ALA 37 CO -0.01 0.13 0.02 -0.92 0.00 0.00 0.00 179.25 178.46 3bpb h TYR 38 N 0.53 0.13 -0.45 0.00 3.20 0.54 -1.96 116.97 118.96 3bpb h TYR 38 Ca 0.21 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 3bpb h TYR 38 Cb 0.16 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3bpb h TYR 38 CO -0.00 0.32 0.24 0.82 -1.64 0.00 0.00 178.16 177.90 3bpb h ILE 39 N -0.09 1.17 -0.47 1.81 1.08 0.05 -2.23 117.51 118.82 3bpb h ILE 39 Ca 0.02 -0.44 0.03 0.00 -0.39 0.00 0.00 64.86 64.09 3bpb h ILE 39 Cb 0.25 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 34.61 3bpb h ILE 39 CO 0.00 0.18 0.31 0.03 -0.69 0.00 0.00 178.15 177.98 3bpb h ARG 40 N 0.59 0.49 -0.21 2.37 3.08 -0.98 -0.23 114.38 119.50 3bpb h ARG 40 Ca 0.16 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 3bpb h ARG 40 Cb 0.07 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3bpb h ARG 40 CO -0.02 0.33 0.10 0.00 -1.07 0.00 0.00 179.97 179.30 3bpb h ALA 41 N 1.73 0.27 0.00 0.04 0.00 -0.77 -2.32 119.26 118.21 3bpb h ALA 41 Ca 0.19 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3bpb h ALA 41 Cb 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3bpb h ALA 41 CO -0.05 -0.17 -0.02 -0.07 0.00 0.00 0.00 179.25 178.94 3bpb h LEU 42 N 0.20 0.00 -1.25 0.00 3.38 -0.77 -2.19 115.31 114.69 3bpb h LEU 42 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3bpb h LEU 42 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3bpb h LEU 42 CO -0.01 0.02 0.00 1.56 0.09 0.00 0.00 178.44 180.10 3bpb h GLN 43 N 0.00 0.00 -0.45 1.13 4.20 -0.50 -2.06 115.11 117.43 3bpb h GLN 43 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3bpb h GLN 43 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3bpb h GLN 43 CO 0.00 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.41 3bpb n THR 44 N -2.48 2.27 -1.09 -0.54 -2.24 -0.82 -4.46 114.28 104.93 3bpb n THR 44 Ca 0.00 -1.53 0.05 0.00 -2.27 0.00 0.00 64.05 60.31 3bpb n THR 44 Cb 0.18 -0.13 0.25 0.00 -2.10 0.00 0.00 70.33 68.53 3bpb n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bpb n ASP 46 N -0.60 -5.50 -4.34 0.00 8.00 -1.26 -4.67 116.55 108.18 3bpb n ASP 46 Ca 0.25 -0.60 -0.18 0.00 0.71 0.00 0.00 54.79 54.98 3bpb n ASP 46 Cb 0.97 -4.38 -0.10 0.00 -0.02 0.00 0.00 41.12 37.59 3bpb n ASP 46 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3bpb s VAL 47 N -3.26 1.42 -0.04 2.53 -7.23 -1.26 -4.80 120.40 107.75 3bpb s VAL 47 Ca 0.58 -2.12 -0.00 0.00 -1.81 0.00 0.00 61.98 58.63 3bpb s VAL 47 Cb -0.27 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 3bpb s VAL 47 CO 0.71 -0.50 0.02 1.51 -0.31 0.00 0.00 175.10 176.53 3bpb s ASP 48 N -3.31 5.29 -0.14 4.85 1.47 -1.08 -4.89 116.67 118.86 3bpb s ASP 48 Ca 0.24 0.09 -0.05 0.00 1.18 0.00 0.00 52.55 54.01 3bpb s ASP 48 Cb 0.03 -1.46 -0.04 0.00 -0.34 0.00 0.00 42.92 41.11 3bpb s ASP 48 CO 0.07 0.32 0.04 -0.63 0.68 0.00 0.00 175.17 175.65 3bpb s ILE 49 N -1.03 4.66 -0.53 2.11 1.01 -1.26 -1.68 121.20 124.48 3bpb s ILE 49 Ca 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.71 3bpb s ILE 49 Cb -0.12 -3.04 0.14 0.00 0.01 0.00 0.00 42.46 39.45 3bpb s ILE 49 CO 0.08 0.53 0.33 -0.89 0.00 0.00 0.00 174.94 174.99 3bpb s THR 50 N -0.24 3.40 -0.36 2.92 2.01 -0.51 -4.98 115.64 117.89 3bpb s THR 50 Ca 0.07 -2.65 -0.21 0.00 0.31 0.00 0.00 61.69 59.21 3bpb s THR 50 Cb -0.12 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.11 3bpb s THR 50 CO 0.02 -0.79 0.69 -0.22 -0.69 0.00 0.00 174.62 173.62 3bpb s LEU 51 N 0.38 4.21 0.28 4.42 2.96 -1.26 -2.25 118.68 127.42 3bpb s LEU 51 Ca 0.14 0.23 -0.13 0.00 -0.22 0.00 0.00 54.13 54.15 3bpb s LEU 51 Cb -0.22 -2.88 -0.08 0.00 0.50 0.00 0.00 46.19 43.51 3bpb s LEU 51 CO -0.04 -0.64 0.66 -0.76 -1.32 0.00 0.00 176.35 174.26 3bpb s LEU 52 N 2.85 4.12 0.69 -0.68 1.43 0.38 -4.93 118.68 122.54 3bpb s LEU 52 Ca 0.27 1.15 -0.14 0.00 -1.03 0.00 0.00 54.13 54.38 3bpb s LEU 52 Cb -0.14 -3.90 0.02 0.00 0.03 0.00 0.00 46.19 42.20 3bpb s LEU 52 CO 0.15 -0.14 1.11 -2.16 0.23 0.00 0.00 176.35 175.55 3bpb s PRO 53 N -2.86 2.62 0.19 1.29 0.04 -1.26 -0.32 135.00 134.70 3bpb s PRO 53 Ca 0.51 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 62.63 3bpb s PRO 53 Cb -0.11 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 3bpb s PRO 53 CO 0.19 -1.39 1.04 -1.25 0.04 0.00 0.00 177.00 175.63 3bpb s PRO 54 N -4.24 4.67 -0.27 0.56 0.04 -1.25 -4.40 135.00 130.11 3bpb s PRO 54 Ca 0.66 1.64 0.02 0.00 0.04 0.00 0.00 61.00 63.36 3bpb s PRO 54 Cb -0.21 -3.28 0.06 0.00 0.04 0.00 0.00 34.50 31.11 3bpb s PRO 54 CO 0.45 0.21 -0.08 0.34 0.04 0.00 0.00 177.00 177.96 3bpb s ASP 55 N -0.42 4.58 0.65 6.66 -1.08 -1.26 -4.98 116.67 120.82 3bpb s ASP 55 Ca 0.46 -1.39 0.42 0.00 -0.52 0.00 0.00 52.55 51.53 3bpb s ASP 55 Cb -0.28 -1.60 2.24 0.00 -1.46 0.00 0.00 42.92 41.83 3bpb s ASP 55 CO 0.34 -0.21 2.31 -0.33 0.52 0.00 0.00 175.17 177.80 3bpb h GLU 56 N 7.83 0.00 0.00 4.34 4.39 -1.96 -2.45 114.58 126.72 3bpb h GLU 56 Ca -0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.51 3bpb h GLU 56 Cb 1.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 3bpb h GLU 56 CO 0.48 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.87 3bpb n ARG 57 N -3.15 0.17 -3.67 2.33 1.74 -1.26 -4.34 116.66 108.48 3bpb n ARG 57 Ca -0.03 0.43 -0.30 0.00 -0.77 0.00 0.00 57.85 57.19 3bpb n ARG 57 Cb 0.10 -1.84 -0.14 0.00 -1.02 0.00 0.00 32.46 29.56 3bpb n ARG 57 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3bpb s PHE 58 N -3.31 1.47 0.22 -1.55 0.40 -0.92 -5.01 117.98 109.27 3bpb s PHE 58 Ca 0.04 -1.76 -0.10 0.00 -0.60 0.00 0.00 56.93 54.51 3bpb s PHE 58 Cb 0.09 -1.55 0.32 0.00 0.51 0.00 0.00 43.02 42.39 3bpb s PHE 58 CO 0.36 -0.85 1.67 -1.35 0.70 0.00 0.00 175.22 175.75 3bpb h PRO 59 N 7.71 0.14 -0.24 0.24 0.11 -1.79 -1.75 132.00 136.42 3bpb h PRO 59 Ca -0.09 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3bpb h PRO 59 Cb 0.99 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3bpb h PRO 59 CO 0.44 0.09 0.00 -0.25 -0.21 0.00 0.00 178.00 178.08 3bpb n ASP 60 N -5.26 1.21 0.30 -2.05 8.00 -1.26 -4.20 116.55 113.29 3bpb n ASP 60 Ca 0.10 -2.01 0.17 0.00 0.71 0.00 0.00 54.79 53.75 3bpb n ASP 60 Cb 0.37 -0.16 0.96 0.00 -0.02 0.00 0.00 41.12 42.27 3bpb n ASP 60 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3bpb h SER 61 N 1.27 0.00 -0.10 -2.24 4.64 -1.66 0.13 113.55 115.60 3bpb h SER 61 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3bpb h SER 61 Cb 0.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3bpb h SER 61 CO 0.01 0.01 0.13 1.62 -0.87 0.00 0.00 176.83 177.73 3bpb h VAL 62 N 0.00 0.38 -0.61 0.95 3.04 -1.80 -3.01 116.25 115.21 3bpb h VAL 62 Ca -0.00 0.00 -0.64 0.00 -1.01 0.00 0.00 66.70 65.05 3bpb h VAL 62 Cb 0.04 0.89 -0.07 0.00 -2.01 0.00 0.00 31.29 30.14 3bpb h VAL 62 CO 0.00 0.00 2.47 0.49 -1.01 0.00 0.00 177.57 179.52 3bpb n PHE 63 N -3.64 2.18 0.31 3.17 0.99 0.03 -4.38 117.46 116.11 3bpb n PHE 63 Ca -0.00 -2.71 0.13 0.00 -0.00 0.00 0.00 57.45 54.87 3bpb n PHE 63 Cb 0.23 -2.01 0.72 0.00 -1.00 0.00 0.00 39.48 37.42 3bpb n PHE 63 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.76 176.37 3bpb h VAL 64 N 2.63 0.00 -0.73 -4.37 -1.51 -1.47 -2.66 116.25 108.14 3bpb h VAL 64 Ca 0.69 0.00 0.12 0.00 -1.23 0.00 0.00 66.70 66.28 3bpb h VAL 64 Cb 0.45 0.58 -0.08 0.00 -2.13 0.00 0.00 31.29 30.11 3bpb h VAL 64 CO 1.41 0.00 0.31 -0.08 -1.23 0.00 0.00 177.57 177.98 3bpb h GLU 65 N 0.00 0.48 0.15 5.19 4.81 -1.55 -3.20 114.58 120.46 3bpb h GLU 65 Ca 0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3bpb h GLU 65 Cb 0.69 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.96 3bpb h GLU 65 CO 0.00 0.32 -0.07 -0.44 -0.73 0.00 0.00 179.01 178.09 3bpb h ASP 66 N 0.50 -0.17 -1.21 1.04 3.32 -1.71 -3.32 116.42 114.87 3bpb h ASP 66 Ca 0.38 -0.22 0.35 0.00 0.02 0.00 0.00 57.03 57.56 3bpb h ASP 66 Cb 0.52 0.04 -0.10 0.00 0.22 0.00 0.00 39.33 40.02 3bpb h ASP 66 CO -0.35 0.14 0.80 -0.65 -1.72 0.00 0.00 179.24 177.46 3bpb h PRO 67 N -0.49 0.19 -3.48 3.56 0.11 -1.75 -1.26 132.00 128.89 3bpb h PRO 67 Ca -0.02 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.94 3bpb h PRO 67 Cb 0.38 -0.04 -0.20 0.00 0.11 0.00 0.00 31.00 31.25 3bpb h PRO 67 CO 0.03 0.13 -0.46 0.08 -0.21 0.00 0.00 178.00 177.57 3bpb s VAL 68 N -5.29 0.09 -0.17 3.15 1.01 -1.25 -0.66 120.40 117.26 3bpb s VAL 68 Ca -0.07 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 3bpb s VAL 68 Cb 0.26 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 3bpb s VAL 68 CO 0.81 -0.39 -0.03 -0.22 0.00 0.00 0.00 175.10 175.28 3bpb s LEU 69 N -1.47 3.21 -0.30 3.92 2.96 -0.65 -4.73 118.68 121.61 3bpb s LEU 69 Ca -0.14 -0.18 -0.02 0.00 -0.22 0.00 0.00 54.13 53.57 3bpb s LEU 69 Cb -0.07 -1.79 0.04 0.00 0.50 0.00 0.00 46.19 44.88 3bpb s LEU 69 CO 0.01 0.12 0.00 0.00 -1.32 0.00 0.00 176.35 175.17 3bpb s THR 71 N 1.29 2.14 -0.83 0.00 -4.23 0.43 -4.82 115.64 109.62 3bpb s THR 71 Ca -0.04 -1.34 0.23 0.00 -1.18 0.00 0.00 61.69 59.36 3bpb s THR 71 Cb -0.19 -2.48 0.21 0.00 1.34 0.00 0.00 72.50 71.38 3bpb s THR 71 CO -0.01 0.00 1.70 -1.54 -0.54 0.00 0.00 174.62 174.23 3bpb n SER 72 N -1.77 0.30 -0.02 3.99 3.41 -1.26 -3.53 113.62 114.74 3bpb n SER 72 Ca 0.04 0.55 -0.01 0.00 -0.26 0.00 0.00 58.87 59.19 3bpb n SER 72 Cb 0.63 -0.62 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 3bpb n SER 72 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3bpb n ARG 73 N -1.80 1.96 -0.68 4.33 5.12 -1.26 -5.11 116.66 119.21 3bpb n ARG 73 Ca 0.04 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 3bpb n ARG 73 Cb 0.28 -1.14 0.00 0.00 -1.16 0.00 0.00 32.46 30.43 3bpb n ARG 73 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3bpb s ALA 75 N -1.00 -0.19 -0.23 0.00 0.00 -1.08 -0.43 121.76 118.83 3bpb s ALA 75 Ca 0.00 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.19 3bpb s ALA 75 Cb 0.00 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.04 3bpb s ALA 75 CO 0.00 -0.04 -0.13 0.42 0.00 0.00 0.00 175.76 176.01 3bpb s ILE 76 N 0.02 2.21 -0.21 0.00 1.09 0.47 -0.59 121.20 124.19 3bpb s ILE 76 Ca -0.00 -1.36 -0.29 0.00 -1.10 0.00 0.00 60.65 57.90 3bpb s ILE 76 Cb -0.01 -2.17 -0.03 0.00 -1.06 0.00 0.00 42.46 39.20 3bpb s ILE 76 CO 0.00 0.17 1.61 -0.63 -0.10 0.00 0.00 174.94 175.99 3bpb s ILE 77 N 1.18 3.70 0.00 2.92 -1.09 0.11 -1.64 121.20 126.38 3bpb s ILE 77 Ca -0.04 0.79 0.00 0.00 -2.23 0.00 0.00 60.65 59.18 3bpb s ILE 77 Cb -0.17 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 3bpb s ILE 77 CO -0.07 -0.27 0.00 0.35 -1.23 0.00 0.00 174.94 173.72 3bpb n THR 78 N 6.31 0.00 -3.36 2.92 -2.24 0.16 -1.31 114.28 116.76 3bpb n THR 78 Ca 0.19 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.81 3bpb n THR 78 Cb 0.45 -1.75 -0.08 0.00 -2.10 0.00 0.00 70.33 66.85 3bpb n THR 78 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3bpb s ARG 79 N -0.77 0.56 -0.07 -0.78 3.52 -0.94 -4.44 118.95 116.03 3bpb s ARG 79 Ca 0.00 -0.62 -0.39 0.00 -0.13 0.00 0.00 55.73 54.60 3bpb s ARG 79 Cb 0.00 -0.66 -0.17 0.00 -1.56 0.00 0.00 34.95 32.56 3bpb s ARG 79 CO 0.00 -1.15 1.46 -2.30 -0.81 0.00 0.00 175.30 172.50 3bpb n PRO 80 N 4.57 0.98 -0.09 5.12 -0.02 -1.17 -0.40 135.00 143.98 3bpb n PRO 80 Ca 0.07 0.36 -0.09 0.00 -2.02 0.00 0.00 63.50 61.82 3bpb n PRO 80 Cb 0.46 -1.99 -0.02 0.00 -0.02 0.00 0.00 33.50 31.93 3bpb n PRO 80 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3bpb h GLY 81 N 5.29 0.46 -4.99 -1.23 0.00 -1.76 -3.40 103.07 97.44 3bpb h GLY 81 Ca -0.47 -0.22 -0.55 0.00 0.00 0.00 0.00 47.33 46.09 3bpb h GLY 81 CO 0.83 0.21 0.91 0.00 0.00 0.00 0.00 176.54 178.49 3bpb s ALA 82 N -5.81 3.61 0.29 3.60 0.00 -1.26 -4.91 121.76 117.27 3bpb s ALA 82 Ca -0.13 0.86 0.05 0.00 0.00 0.00 0.00 51.96 52.74 3bpb s ALA 82 Cb 0.09 -3.64 0.44 0.00 0.00 0.00 0.00 23.12 20.01 3bpb s ALA 82 CO 0.72 -1.06 1.70 0.93 0.00 0.00 0.00 175.76 178.05 3bpb h GLU 83 N 8.27 0.31 0.00 0.00 5.08 -2.01 -2.48 114.58 123.75 3bpb h GLU 83 Ca -0.37 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3bpb h GLU 83 Cb 1.17 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3bpb h GLU 83 CO 0.92 0.64 0.00 -1.13 -1.00 0.00 0.00 179.01 178.45 3bpb n SER 84 N -4.05 0.04 -0.00 1.42 3.41 -1.26 -1.85 113.62 111.32 3bpb n SER 84 Ca -0.01 0.52 0.04 0.00 -0.26 0.00 0.00 58.87 59.15 3bpb n SER 84 Cb 0.46 -0.52 -0.05 0.00 -0.26 0.00 0.00 64.21 63.84 3bpb n SER 84 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3bpb n ARG 85 N -1.55 1.39 -0.21 4.33 1.74 -0.96 -4.71 116.66 116.69 3bpb n ARG 85 Ca 0.01 -0.05 0.26 0.00 -0.77 0.00 0.00 57.85 57.30 3bpb n ARG 85 Cb 0.04 -1.08 0.66 0.00 -1.02 0.00 0.00 32.46 31.05 3bpb n ARG 85 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3bpb h ARG 86 N 0.00 0.12 -0.06 5.56 2.43 -1.08 -0.23 114.38 121.12 3bpb h ARG 86 Ca 0.00 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 3bpb h ARG 86 Cb 0.29 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3bpb h ARG 86 CO 0.00 0.08 -0.37 0.78 -1.51 0.00 0.00 179.97 178.95 3bpb h GLY 87 N 0.12 0.12 -1.12 2.80 0.00 -1.84 -3.18 103.07 99.96 3bpb h GLY 87 Ca 0.46 -0.10 0.45 0.00 0.00 0.00 0.00 47.33 48.13 3bpb h GLY 87 CO -0.07 0.09 1.09 0.83 0.00 0.00 0.00 176.54 178.49 3bpb h GLU 88 N 0.10 0.03 -0.77 4.80 5.08 -1.37 0.34 114.58 122.79 3bpb h GLU 88 Ca 0.01 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3bpb h GLU 88 Cb 0.71 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 3bpb h GLU 88 CO 0.05 0.02 0.38 1.79 -1.00 0.00 0.00 179.01 180.25 3bpb h THR 89 N 0.03 1.24 -0.26 1.13 1.35 -1.74 -3.00 112.91 111.66 3bpb h THR 89 Ca 0.76 -0.66 -0.12 0.00 -0.55 0.00 0.00 66.41 65.84 3bpb h THR 89 Cb 2.91 0.24 -0.01 0.00 -1.73 0.00 0.00 68.15 69.56 3bpb h THR 89 CO -0.07 0.28 -0.33 -0.33 -0.25 0.00 0.00 175.52 174.83 3bpb h GLU 90 N 1.09 0.55 0.00 4.72 5.08 -0.55 -2.26 114.58 123.22 3bpb h GLU 90 Ca 0.27 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3bpb h GLU 90 Cb 0.09 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3bpb h GLU 90 CO -0.04 0.81 0.00 0.44 -1.00 0.00 0.00 179.01 179.23 3bpb n ILE 91 N -4.07 0.00 0.03 3.13 -5.35 -1.14 -3.51 119.36 108.45 3bpb n ILE 91 Ca -0.01 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.49 3bpb n ILE 91 Cb 0.47 -0.50 -0.03 0.00 -1.74 0.00 0.00 39.64 37.84 3bpb n ILE 91 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3bpb n ILE 92 N -1.11 0.00 0.10 7.28 3.06 -1.11 -4.70 119.36 122.89 3bpb n ILE 92 Ca 0.20 -0.14 0.19 0.00 -2.50 0.00 0.00 62.75 60.50 3bpb n ILE 92 Cb 0.16 0.51 0.76 0.00 0.54 0.00 0.00 39.64 41.61 3bpb n ILE 92 CO 0.00 0.00 0.00 -0.08 -2.50 0.00 0.00 176.55 173.97 3bpb h GLU 93 N 0.00 0.00 -0.31 9.51 4.81 -1.45 -0.99 114.58 126.15 3bpb h GLU 93 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 3bpb h GLU 93 Cb 0.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3bpb h GLU 93 CO 0.00 0.00 -0.02 1.49 -0.73 0.00 0.00 179.01 179.75 3bpb h GLU 94 N 0.00 0.56 -0.79 1.92 4.81 -1.84 0.12 114.58 119.36 3bpb h GLU 94 Ca 0.17 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3bpb h GLU 94 Cb 0.87 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.16 3bpb h GLU 94 CO -0.00 0.71 0.35 1.15 -0.73 0.00 0.00 179.01 180.48 3bpb h THR 95 N 0.35 1.26 -0.68 0.32 2.02 -1.53 -2.03 112.91 112.62 3bpb h THR 95 Ca 0.09 -0.77 -0.06 0.00 0.77 0.00 0.00 66.41 66.44 3bpb h THR 95 Cb 0.47 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 3bpb h THR 95 CO 0.02 0.32 0.17 0.58 0.37 0.00 0.00 175.52 176.98 3bpb h VAL 96 N 1.13 1.26 0.67 3.16 2.07 -1.17 -2.75 116.25 120.62 3bpb h VAL 96 Ca 0.27 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 3bpb h VAL 96 Cb 0.17 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3bpb h VAL 96 CO -0.03 0.36 -0.35 1.56 0.02 0.00 0.00 177.57 179.13 3bpb h GLN 97 N 1.03 -0.91 -1.36 1.57 1.08 -0.23 0.18 115.11 116.48 3bpb h GLN 97 Ca 0.22 0.06 0.41 0.00 -1.45 0.00 0.00 58.65 57.89 3bpb h GLN 97 Cb 0.35 0.21 -0.10 0.00 -0.05 0.00 0.00 27.48 27.89 3bpb h GLN 97 CO 0.00 -0.61 0.92 0.00 -0.95 0.00 0.00 178.83 178.19 3bpb h ARG 98 N -0.94 0.11 0.01 1.46 3.08 -1.15 -0.70 114.38 116.24 3bpb h ARG 98 Ca -0.09 -0.01 -0.33 0.00 0.07 0.00 0.00 59.98 59.63 3bpb h ARG 98 Cb 0.74 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.71 3bpb h ARG 98 CO 0.13 0.07 -1.97 1.19 -1.07 0.00 0.00 179.97 178.31 3bpb n PHE 99 N -4.44 0.68 -3.07 3.04 3.01 -0.95 -4.54 117.46 111.19 3bpb n PHE 99 Ca 0.34 0.23 -0.26 0.00 1.01 0.00 0.00 57.45 58.77 3bpb n PHE 99 Cb 1.39 -1.12 -0.05 0.00 -0.01 0.00 0.00 39.48 39.69 3bpb n PHE 99 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3bpb n TYR 100 N -3.01 3.57 -1.67 1.38 4.02 0.60 -5.07 117.16 116.98 3bpb n TYR 100 Ca -0.24 -4.01 -0.44 0.00 -0.01 0.00 0.00 57.90 53.19 3bpb n TYR 100 Cb 1.08 -0.50 -0.04 0.00 -0.02 0.00 0.00 39.34 39.87 3bpb n TYR 100 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3bpb n PRO 101 N 0.08 2.59 -0.65 -0.72 -0.04 -0.61 -1.48 135.00 134.16 3bpb n PRO 101 Ca 0.30 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.71 3bpb n PRO 101 Cb 0.42 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 31.03 3bpb n PRO 101 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bpb n GLY 102 N 4.38 0.92 2.42 0.55 0.00 -1.26 -4.85 105.19 107.34 3bpb n GLY 102 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 3bpb n GLY 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bpb n LYS 103 N -2.00 3.29 -4.66 1.61 5.02 -0.55 -5.03 118.16 115.84 3bpb n LYS 103 Ca 0.00 -4.36 -0.33 0.00 -2.02 0.00 0.00 58.31 51.60 3bpb n LYS 103 Cb 0.00 -2.18 -0.14 0.00 -0.02 0.00 0.00 35.03 32.69 3bpb n LYS 103 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3bpb s VAL 104 N -5.20 3.11 0.42 -0.18 1.01 -1.25 -2.64 120.40 115.68 3bpb s VAL 104 Ca 0.47 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.89 3bpb s VAL 104 Cb 0.40 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 3bpb s VAL 104 CO -0.13 0.51 0.19 -1.61 0.00 0.00 0.00 175.10 174.06 3bpb s GLU 105 N 0.47 2.24 -0.19 2.72 0.41 0.24 -4.99 118.70 119.59 3bpb s GLU 105 Ca -0.09 -1.86 -0.27 0.00 -0.41 0.00 0.00 54.97 52.34 3bpb s GLU 105 Cb -0.16 -1.99 0.07 0.00 -1.78 0.00 0.00 34.13 30.27 3bpb s GLU 105 CO 0.04 -0.15 0.71 -0.98 -0.49 0.00 0.00 175.26 174.39 3bpb s ARG 106 N -3.93 0.91 0.09 1.61 1.70 -1.26 0.08 118.95 118.16 3bpb s ARG 106 Ca 0.40 0.74 -0.30 0.00 -0.47 0.00 0.00 55.73 56.10 3bpb s ARG 106 Cb 0.03 0.44 -0.05 0.00 -0.57 0.00 0.00 34.95 34.80 3bpb s ARG 106 CO 0.22 -0.18 0.97 0.42 -1.08 0.00 0.00 175.30 175.65 3bpb s ILE 107 N -0.17 4.56 0.06 4.99 -1.09 -0.43 -4.94 121.20 124.18 3bpb s ILE 107 Ca -0.04 2.07 0.04 0.00 -2.23 0.00 0.00 60.65 60.49 3bpb s ILE 107 Cb -0.03 -4.32 -0.04 0.00 -1.58 0.00 0.00 42.46 36.49 3bpb s ILE 107 CO 0.04 0.29 -0.02 -1.61 -1.23 0.00 0.00 174.94 172.41 3bpb s GLU 108 N 0.17 2.54 0.82 2.79 8.01 -1.26 -4.72 118.70 127.06 3bpb s GLU 108 Ca 0.48 -0.80 -0.14 0.00 0.01 0.00 0.00 54.97 54.52 3bpb s GLU 108 Cb -0.23 -2.53 0.00 0.00 -4.31 0.00 0.00 34.13 27.07 3bpb s GLU 108 CO 0.30 0.56 0.55 0.00 0.01 0.00 0.00 175.26 176.68 3bpb n ALA 109 N 0.92 -1.78 1.04 5.21 0.00 -1.26 -3.22 120.51 121.41 3bpb n ALA 109 Ca -0.13 -0.40 0.13 0.00 0.00 0.00 0.00 53.44 53.04 3bpb n ALA 109 Cb 0.52 -1.88 0.43 0.00 0.00 0.00 0.00 19.45 18.52 3bpb n ALA 109 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3bpb n PRO 110 N -1.40 0.07 -1.44 0.00 -0.04 -1.26 -5.08 135.00 125.85 3bpb n PRO 110 Ca 0.09 -0.03 -0.36 0.00 -0.04 0.00 0.00 63.50 63.16 3bpb n PRO 110 Cb 0.51 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.56 3bpb n PRO 110 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bpb n GLY 111 N 1.48 -0.05 2.97 0.55 0.00 -1.20 -4.86 105.19 104.08 3bpb n GLY 111 Ca 0.07 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 3bpb n GLY 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bpb s THR 112 N -1.72 0.10 -0.04 2.61 -4.23 -1.26 -4.64 115.64 106.46 3bpb s THR 112 Ca 0.76 -0.80 -0.16 0.00 -1.18 0.00 0.00 61.69 60.31 3bpb s THR 112 Cb -0.35 -0.24 0.03 0.00 1.34 0.00 0.00 72.50 73.28 3bpb s THR 112 CO 0.47 -0.44 0.36 -0.69 -0.54 0.00 0.00 174.62 173.78 3bpb s VAL 113 N -1.29 0.04 -0.18 2.29 1.01 0.47 -2.27 120.40 120.46 3bpb s VAL 113 Ca -0.14 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 3bpb s VAL 113 Cb -0.09 -0.64 0.06 0.00 0.00 0.00 0.00 36.38 35.71 3bpb s VAL 113 CO -0.01 -0.20 0.06 -1.61 0.00 0.00 0.00 175.10 173.35 3bpb s GLU 114 N -1.10 0.36 0.21 2.72 2.02 -1.26 -2.22 118.70 119.43 3bpb s GLU 114 Ca -0.11 -0.25 0.03 0.00 0.02 0.00 0.00 54.97 54.66 3bpb s GLU 114 Cb -0.04 -1.97 0.18 0.00 0.10 0.00 0.00 34.13 32.40 3bpb s GLU 114 CO 0.04 -0.66 0.84 0.00 0.02 0.00 0.00 175.26 175.51 3bpb n ALA 115 N 5.16 0.25 0.30 5.21 0.00 -0.48 -0.00 120.51 130.95 3bpb n ALA 115 Ca -0.08 0.03 0.17 0.00 0.00 0.00 0.00 53.44 53.56 3bpb n ALA 115 Cb 0.48 -0.29 0.68 0.00 0.00 0.00 0.00 19.45 20.32 3bpb n ALA 115 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3bpb h GLY 116 N 0.00 0.00 -1.36 0.00 0.00 -1.80 -1.70 103.07 98.21 3bpb h GLY 116 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3bpb h GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 3bpb n ASP 117 N -2.95 2.16 -4.30 0.19 8.00 1.00 -2.64 116.55 118.00 3bpb n ASP 117 Ca 0.01 -1.89 -0.32 0.00 0.71 0.00 0.00 54.79 53.29 3bpb n ASP 117 Cb 0.28 -0.22 -0.16 0.00 -0.02 0.00 0.00 41.12 41.01 3bpb n ASP 117 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3bpb s ILE 118 N -1.57 2.37 -0.12 0.53 1.01 -0.64 -1.27 121.20 121.51 3bpb s ILE 118 Ca 0.31 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 60.03 3bpb s ILE 118 Cb 0.16 -1.91 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 3bpb s ILE 118 CO 0.23 0.56 -0.17 -0.32 0.00 0.00 0.00 174.94 175.25 3bpb s MET 119 N -0.00 3.23 -0.38 2.79 -2.45 -0.87 -4.83 119.30 116.79 3bpb s MET 119 Ca -0.07 -0.75 -0.15 0.00 -1.25 0.00 0.00 55.69 53.48 3bpb s MET 119 Cb -0.15 -2.52 0.01 0.00 1.25 0.00 0.00 34.83 33.42 3bpb s MET 119 CO 0.05 0.23 0.31 1.41 1.05 0.00 0.00 175.02 178.06 3bpb s MET 120 N 0.29 3.21 -0.30 4.11 1.75 -1.26 -1.75 119.30 125.35 3bpb s MET 120 Ca -0.12 -0.81 0.01 0.00 -1.25 0.00 0.00 55.69 53.52 3bpb s MET 120 Cb -0.16 -3.91 0.07 0.00 2.84 0.00 0.00 34.83 33.67 3bpb s MET 120 CO 0.06 -0.64 -0.01 0.08 -0.65 0.00 0.00 175.02 173.86 3bpb s VAL 121 N 1.79 2.63 0.00 10.11 1.01 0.12 -4.93 120.40 131.13 3bpb s VAL 121 Ca 0.07 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.38 3bpb s VAL 121 Cb -0.18 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.59 3bpb s VAL 121 CO 0.11 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.62 3bpb n GLY 122 N 4.50 3.87 0.82 4.51 0.00 -1.26 0.13 105.19 117.76 3bpb n GLY 122 Ca -0.10 0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.10 3bpb n GLY 122 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bpb n ASP 123 N 9.30 3.27 -4.62 1.61 9.92 -1.26 -4.95 116.55 129.81 3bpb n ASP 123 Ca 0.00 -2.12 -0.33 0.00 -0.53 0.00 0.00 54.79 51.81 3bpb n ASP 123 Cb 0.00 -0.32 -0.10 0.00 -0.64 0.00 0.00 41.12 40.06 3bpb n ASP 123 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 3bpb s HIS 124 N -1.22 2.96 -0.12 1.24 2.46 0.12 -2.80 115.29 117.93 3bpb s HIS 124 Ca 0.30 0.02 0.00 0.00 0.47 0.00 0.00 55.06 55.85 3bpb s HIS 124 Cb 0.17 -1.65 0.02 0.00 -0.13 0.00 0.00 32.58 30.99 3bpb s HIS 124 CO 0.18 0.40 -0.12 -0.06 -2.47 0.00 0.00 174.74 172.67 3bpb s PHE 125 N -0.99 1.80 -0.18 3.88 0.40 -1.14 0.14 117.98 121.90 3bpb s PHE 125 Ca 0.17 -0.92 -0.21 0.00 -0.60 0.00 0.00 56.93 55.37 3bpb s PHE 125 Cb -0.11 -1.37 -0.02 0.00 0.51 0.00 0.00 43.02 42.02 3bpb s PHE 125 CO 0.07 -0.54 0.65 0.71 0.70 0.00 0.00 175.22 176.82 3bpb s TYR 126 N 1.40 3.40 -0.55 0.36 1.51 -0.72 -2.33 117.35 120.42 3bpb s TYR 126 Ca 0.01 0.98 -0.06 0.00 -1.01 0.00 0.00 57.07 56.99 3bpb s TYR 126 Cb -0.13 -2.82 0.14 0.00 -0.11 0.00 0.00 41.96 39.04 3bpb s TYR 126 CO -0.07 -0.16 0.39 0.42 -1.11 0.00 0.00 175.55 175.03 3bpb s ILE 127 N 1.84 3.94 0.25 2.71 1.01 -0.50 -2.05 121.20 128.40 3bpb s ILE 127 Ca 0.30 -2.36 -0.30 0.00 0.00 0.00 0.00 60.65 58.29 3bpb s ILE 127 Cb -0.16 -3.59 -0.09 0.00 0.01 0.00 0.00 42.46 38.63 3bpb s ILE 127 CO 0.11 -0.82 1.16 -0.83 0.00 0.00 0.00 174.94 174.56 3bpb s GLY 128 N 1.67 2.92 0.11 6.18 0.00 -0.40 -2.41 107.32 115.40 3bpb s GLY 128 Ca 0.12 0.96 -0.25 0.00 0.00 0.00 0.00 44.72 45.55 3bpb s GLY 128 CO -0.03 1.68 0.76 -0.54 0.00 0.00 0.00 173.10 174.96 3bpb s GLU 129 N -1.04 4.52 0.00 2.90 2.02 -0.74 -4.78 118.70 121.58 3bpb s GLU 129 Ca 0.48 1.10 0.00 0.00 0.02 0.00 0.00 54.97 56.57 3bpb s GLU 129 Cb -0.33 -3.30 0.00 0.00 0.10 0.00 0.00 34.13 30.60 3bpb s GLU 129 CO 0.41 0.47 0.00 -1.13 0.02 0.00 0.00 175.26 175.03 3bpb n SER 130 N 2.06 0.00 0.22 -0.19 3.41 -0.99 -4.18 113.62 113.95 3bpb n SER 130 Ca -0.05 -0.89 0.10 0.00 -0.26 0.00 0.00 58.87 57.77 3bpb n SER 130 Cb 0.49 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.84 3bpb n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bpb h ALA 131 N 1.30 0.96 0.00 7.33 0.00 -1.97 -3.13 119.26 123.76 3bpb h ALA 131 Ca 0.00 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.54 3bpb h ALA 131 Cb 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3bpb h ALA 131 CO 0.00 0.25 -1.50 0.54 0.00 0.00 0.00 179.25 178.54 3bpb n ARG 132 N -3.28 0.62 -3.95 0.00 5.12 -1.26 -4.70 116.66 109.22 3bpb n ARG 132 Ca 0.01 0.22 -0.30 0.00 -1.93 0.00 0.00 57.85 55.85 3bpb n ARG 132 Cb 0.47 -1.79 -0.14 0.00 -1.16 0.00 0.00 32.46 29.83 3bpb n ARG 132 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3bpb s THR 133 N -2.87 2.34 0.77 0.55 2.01 -1.18 -3.05 115.64 114.21 3bpb s THR 133 Ca -0.03 -2.90 -0.11 0.00 0.31 0.00 0.00 61.69 58.95 3bpb s THR 133 Cb 0.09 -2.66 0.06 0.00 0.01 0.00 0.00 72.50 69.99 3bpb s THR 133 CO 0.82 -0.74 1.14 0.54 -0.69 0.00 0.00 174.62 175.68 3bpb s ASN 134 N 0.18 4.81 0.18 3.53 2.20 -0.96 -2.34 114.94 122.54 3bpb s ASN 134 Ca 0.15 0.86 -0.20 0.00 -0.94 0.00 0.00 52.86 52.73 3bpb s ASN 134 Cb -0.23 -1.46 0.12 0.00 -2.00 0.00 0.00 41.25 37.68 3bpb s ASN 134 CO -0.03 -1.71 1.61 0.00 -2.94 0.00 0.00 177.10 174.02 3bpb h ALA 135 N -0.90 0.01 0.01 3.54 0.00 -1.91 -1.69 119.26 118.32 3bpb h ALA 135 Ca -0.46 0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.63 3bpb h ALA 135 Cb 1.31 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 19.71 3bpb h ALA 135 CO 0.65 -0.63 -0.20 1.49 0.00 0.00 0.00 179.25 180.56 3bpb h GLU 136 N -0.16 -0.31 -0.00 0.00 4.57 -1.93 -1.18 114.58 115.56 3bpb h GLU 136 Ca 0.22 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.44 3bpb h GLU 136 Cb 0.51 0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 29.12 3bpb h GLU 136 CO -0.59 -0.21 -0.52 0.78 -1.18 0.00 0.00 179.01 177.30 3bpb h GLY 137 N -0.32 -1.14 0.29 1.92 0.00 -1.54 -0.90 103.07 101.37 3bpb h GLY 137 Ca 0.05 0.66 0.18 0.00 0.00 0.00 0.00 47.33 48.23 3bpb h GLY 137 CO -0.18 -0.24 0.60 0.00 0.00 0.00 0.00 176.54 176.72 3bpb h ALA 138 N -0.47 1.90 0.55 3.60 0.00 -1.21 -1.25 119.26 122.39 3bpb h ALA 138 Ca 0.01 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3bpb h ALA 138 Cb 0.70 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.41 3bpb h ALA 138 CO -0.35 -0.21 -0.26 -0.09 0.00 0.00 0.00 179.25 178.34 3bpb h ARG 139 N 0.63 -0.71 -0.94 0.00 2.43 0.06 -1.16 114.38 114.69 3bpb h ARG 139 Ca 0.51 0.05 0.12 0.00 -0.81 0.00 0.00 59.98 59.85 3bpb h ARG 139 Cb 0.95 0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 30.58 3bpb h ARG 139 CO -0.26 -0.47 0.60 1.96 -1.51 0.00 0.00 179.97 180.29 3bpb h GLN 140 N -0.74 0.86 0.66 0.20 4.20 -0.32 -0.51 115.11 119.46 3bpb h GLN 140 Ca -0.08 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 3bpb h GLN 140 Cb 0.57 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3bpb h GLN 140 CO 0.12 0.57 -0.35 1.98 -0.67 0.00 0.00 178.83 180.48 3bpb h MET 141 N 0.88 -0.90 -0.40 1.46 4.05 -0.79 0.98 114.93 120.21 3bpb h MET 141 Ca 0.46 0.06 0.06 0.00 -0.28 0.00 0.00 59.70 60.00 3bpb h MET 141 Cb 0.53 0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 31.51 3bpb h MET 141 CO -0.22 -0.60 0.27 0.82 0.23 0.00 0.00 176.91 177.40 3bpb h ILE 142 N -0.94 0.94 -0.17 1.77 2.04 -0.80 0.25 117.51 120.61 3bpb h ILE 142 Ca -0.09 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 3bpb h ILE 142 Cb 0.74 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3bpb h ILE 142 CO 0.12 0.05 0.10 0.00 0.00 0.00 0.00 178.15 178.43 3bpb h ALA 143 N 1.79 0.21 -0.19 1.87 0.00 -0.33 0.64 119.26 123.25 3bpb h ALA 143 Ca 0.18 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3bpb h ALA 143 Cb 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3bpb h ALA 143 CO -0.04 -0.28 -0.09 0.82 0.00 0.00 0.00 179.25 179.66 3bpb h ILE 144 N 0.20 1.31 -0.54 0.00 2.04 0.11 -1.34 117.51 119.29 3bpb h ILE 144 Ca 0.06 -1.14 0.07 0.00 1.00 0.00 0.00 64.86 64.86 3bpb h ILE 144 Cb 0.01 1.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.68 3bpb h ILE 144 CO -0.01 0.34 0.21 -0.07 0.00 0.00 0.00 178.15 178.62 3bpb h LEU 145 N 0.10 0.23 -0.21 1.44 3.38 -0.49 -1.64 115.31 118.12 3bpb h LEU 145 Ca 0.04 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3bpb h LEU 145 Cb 0.57 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3bpb h LEU 145 CO 0.03 0.15 0.13 -0.33 0.09 0.00 0.00 178.44 178.51 3bpb h GLU 146 N 0.40 0.25 -0.94 1.13 5.08 0.16 0.59 114.58 121.25 3bpb h GLU 146 Ca 0.26 -0.02 0.24 0.00 -1.00 0.00 0.00 59.36 58.84 3bpb h GLU 146 Cb 0.28 -0.06 -0.13 0.00 0.50 0.00 0.00 28.75 29.34 3bpb h GLU 146 CO -0.25 0.17 0.47 -0.22 -1.00 0.00 0.00 179.01 178.18 3bpb h LYS 147 N 0.26 0.44 -1.10 2.33 3.64 -0.29 0.11 116.57 121.97 3bpb h LYS 147 Ca 0.08 -0.03 -0.46 0.00 -1.27 0.00 0.00 60.65 58.98 3bpb h LYS 147 Cb -0.01 -0.10 -0.23 0.00 -0.41 0.00 0.00 32.23 31.48 3bpb h LYS 147 CO -0.04 0.29 0.59 0.72 -2.27 0.00 0.00 179.45 178.74 3bpb n HIS 148 N -4.99 2.45 -2.23 1.91 8.25 -0.98 -4.86 115.22 114.77 3bpb n HIS 148 Ca 0.24 -2.00 -0.17 0.00 -0.26 0.00 0.00 57.72 55.53 3bpb n HIS 148 Cb 0.71 -0.99 -0.01 0.00 1.12 0.00 0.00 29.99 30.81 3bpb n HIS 148 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bpb n GLY 149 N -0.61 -0.12 3.44 -1.41 0.00 0.37 -4.94 105.19 101.93 3bpb n GLY 149 Ca 0.48 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 46.09 3bpb n GLY 149 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bpb s LEU 150 N -4.72 2.59 0.49 0.99 1.43 0.20 -4.98 118.68 114.67 3bpb s LEU 150 Ca 0.00 -1.09 0.05 0.00 -1.03 0.00 0.00 54.13 52.06 3bpb s LEU 150 Cb 0.00 -0.88 -0.01 0.00 0.03 0.00 0.00 46.19 45.33 3bpb s LEU 150 CO 0.00 -0.13 0.20 -0.94 0.23 0.00 0.00 176.35 175.72 3bpb s SER 151 N -3.46 4.40 0.00 2.29 1.04 -1.12 -1.57 113.70 115.27 3bpb s SER 151 Ca 0.28 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.40 3bpb s SER 151 Cb -0.01 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.25 3bpb s SER 151 CO 0.12 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.12 3bpb n GLY 152 N -1.43 -0.92 2.95 7.32 0.00 -1.26 -2.88 105.19 108.98 3bpb n GLY 152 Ca -0.07 0.91 -0.23 0.00 0.00 0.00 0.00 46.02 46.63 3bpb n GLY 152 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bpb n SER 153 N 0.00 -0.55 -4.31 1.61 3.41 -0.98 -4.79 113.62 108.01 3bpb n SER 153 Ca 0.00 -1.27 -0.26 0.00 -0.26 0.00 0.00 58.87 57.09 3bpb n SER 153 Cb 0.00 -0.80 -0.13 0.00 -0.26 0.00 0.00 64.21 63.02 3bpb n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3bpb s VAL 154 N -3.06 1.87 -0.01 -3.33 1.01 -1.26 -1.41 120.40 114.21 3bpb s VAL 154 Ca 0.58 -1.56 0.04 0.00 0.00 0.00 0.00 61.98 61.05 3bpb s VAL 154 Cb -0.03 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 3bpb s VAL 154 CO 0.42 0.02 -0.14 -0.69 0.00 0.00 0.00 175.10 174.71 3bpb s VAL 155 N -1.09 1.12 -0.14 2.92 1.01 -1.01 -4.83 120.40 118.38 3bpb s VAL 155 Ca 0.09 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.26 3bpb s VAL 155 Cb -0.10 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 3bpb s VAL 155 CO 0.04 0.29 0.38 -0.60 0.00 0.00 0.00 175.10 175.21 3bpb s ARG 156 N -0.41 4.28 -0.24 2.72 3.00 -1.26 -1.79 118.95 125.25 3bpb s ARG 156 Ca 0.05 0.27 -0.13 0.00 -1.00 0.00 0.00 55.73 54.92 3bpb s ARG 156 Cb -0.06 -3.42 -0.05 0.00 0.00 0.00 0.00 34.95 31.42 3bpb s ARG 156 CO -0.00 0.22 0.25 -0.51 0.00 0.00 0.00 175.30 175.26 3bpb s LEU 157 N 0.49 4.11 0.00 -0.88 1.43 -1.26 -4.97 118.68 117.60 3bpb s LEU 157 Ca 0.21 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 3bpb s LEU 157 Cb -0.14 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.82 3bpb s LEU 157 CO 0.07 -0.02 0.00 -0.62 0.23 0.00 0.00 176.35 176.01 3bpb n GLU 158 N 4.54 0.00 0.00 1.70 -0.58 -1.26 -4.96 120.64 120.09 3bpb n GLU 158 Ca -0.12 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 3bpb n GLU 158 Cb 0.52 -0.53 0.00 0.00 -0.57 0.00 0.00 31.44 30.85 3bpb n GLU 158 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3bpb n LYS 159 N -2.06 0.00 -1.45 3.49 5.02 -1.26 -4.98 118.16 116.93 3bpb n LYS 159 Ca 0.00 0.12 -0.46 0.00 -2.02 0.00 0.00 58.31 55.95 3bpb n LYS 159 Cb 0.00 -0.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.49 3bpb n LYS 159 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3bpb n VAL 160 N -1.49 1.93 0.07 -0.18 0.24 -1.26 -4.90 118.33 112.75 3bpb n VAL 160 Ca 0.00 -0.50 -0.02 0.00 -2.04 0.00 0.00 64.34 61.78 3bpb n VAL 160 Cb 0.00 -0.30 -0.06 0.00 -1.47 0.00 0.00 33.84 32.01 3bpb n VAL 160 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 3bpb h LEU 161 N 1.23 0.00 -8.87 1.34 -0.00 -1.98 -3.47 115.31 103.57 3bpb h LEU 161 Ca -0.32 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 56.99 3bpb h LEU 161 Cb 1.41 0.00 -0.19 0.00 -0.00 0.00 0.00 40.66 41.88 3bpb h LEU 161 CO 0.57 0.73 -0.80 -0.83 -0.00 0.00 0.00 178.44 178.11 3bpb s GLY 162 N -4.68 1.47 0.04 0.17 0.00 -1.26 -4.53 107.32 98.53 3bpb s GLY 162 Ca 0.01 -1.50 -0.29 0.00 0.00 0.00 0.00 44.72 42.94 3bpb s GLY 162 CO 0.79 -1.54 1.39 -2.00 0.00 0.00 0.00 173.10 171.74 3bpb h LEU 163 N 3.36 -0.88 -1.83 0.66 5.85 -1.80 -3.14 115.31 117.54 3bpb h LEU 163 Ca -0.44 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3bpb h LEU 163 Cb 1.20 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.46 3bpb h LEU 163 CO 0.48 -0.61 0.00 0.29 -0.34 0.00 0.00 178.44 178.26 3bpb n LYS 164 N -4.89 0.81 0.06 1.25 5.02 -1.08 -3.35 118.16 115.97 3bpb n LYS 164 Ca -0.13 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.20 3bpb n LYS 164 Cb 0.41 -1.15 -0.06 0.00 -0.02 0.00 0.00 35.03 34.21 3bpb n LYS 164 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3bpb n THR 165 N 0.51 0.97 -0.50 -0.18 -1.04 -1.19 -4.20 114.28 108.65 3bpb n THR 165 Ca 0.00 -0.64 0.00 0.00 -2.04 0.00 0.00 64.05 61.37 3bpb n THR 165 Cb 0.37 -0.58 0.00 0.00 -1.82 0.00 0.00 70.33 68.30 3bpb n THR 165 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3bpb n GLY 166 N 1.32 -0.04 3.10 3.41 0.00 -1.21 -4.46 105.19 107.31 3bpb n GLY 166 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 3bpb n GLY 166 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bpb s LEU 167 N -0.45 2.38 -0.30 0.99 1.43 -1.24 -0.74 118.68 120.74 3bpb s LEU 167 Ca 0.00 -0.77 -0.08 0.00 -1.03 0.00 0.00 54.13 52.24 3bpb s LEU 167 Cb 0.00 -0.07 0.15 0.00 0.03 0.00 0.00 46.19 46.30 3bpb s LEU 167 CO 0.00 -0.35 0.68 0.00 0.23 0.00 0.00 176.35 176.91 3bpb s ALA 168 N -2.53 -2.20 -0.49 4.21 0.00 -0.83 -4.57 121.76 115.34 3bpb s ALA 168 Ca -0.00 2.18 -0.21 0.00 0.00 0.00 0.00 51.96 53.93 3bpb s ALA 168 Cb -0.02 -1.92 0.04 0.00 0.00 0.00 0.00 23.12 21.22 3bpb s ALA 168 CO -0.03 -1.04 0.70 -0.47 0.00 0.00 0.00 175.76 174.92 3bpb s TYR 169 N 2.85 3.00 -0.38 0.00 5.04 -1.26 -0.58 117.35 126.01 3bpb s TYR 169 Ca 0.01 -0.27 0.05 0.00 -2.44 0.00 0.00 57.07 54.41 3bpb s TYR 169 Cb -0.12 -3.60 0.42 0.00 0.35 0.00 0.00 41.96 39.01 3bpb s TYR 169 CO -0.19 -1.05 1.40 1.28 -1.34 0.00 0.00 175.55 175.65 3bpb n LEU 170 N 6.48 4.59 0.00 6.97 4.77 -0.13 -4.65 117.00 135.03 3bpb n LEU 170 Ca -0.03 -2.39 0.11 0.00 -0.03 0.00 0.00 56.01 53.67 3bpb n LEU 170 Cb 0.47 -0.66 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 3bpb n LEU 170 CO 0.56 0.68 -0.15 -0.62 -1.33 0.00 0.00 177.39 176.53 3bpb n GLU 171 N -0.13 -1.59 -4.08 3.23 -0.58 -1.25 -4.76 120.64 111.48 3bpb n GLU 171 Ca 0.27 1.05 -0.34 0.00 -0.42 0.00 0.00 57.16 57.72 3bpb n GLU 171 Cb 1.03 -1.94 -0.01 0.00 -0.57 0.00 0.00 31.44 29.94 3bpb n GLU 171 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3bpb n HIS 172 N -2.78 -1.88 -3.93 -0.32 8.25 -1.26 -0.64 115.22 112.66 3bpb n HIS 172 Ca 0.01 0.80 -0.29 0.00 -0.26 0.00 0.00 57.72 57.97 3bpb n HIS 172 Cb 0.36 -3.17 0.01 0.00 1.12 0.00 0.00 29.99 28.31 3bpb n HIS 172 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3bpb n ASN 173 N -2.66 -3.48 -4.21 0.41 5.15 -1.26 -4.90 115.26 104.32 3bpb n ASN 173 Ca 0.07 -0.84 -0.33 0.00 -0.60 0.00 0.00 54.58 52.87 3bpb n ASN 173 Cb 0.50 -3.66 -0.15 0.00 -0.53 0.00 0.00 39.78 35.93 3bpb n ASN 173 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3bpb s ASN 174 N -3.60 3.50 0.03 1.20 0.01 0.19 -0.73 114.94 115.54 3bpb s ASN 174 Ca 0.49 -0.54 0.08 0.00 -0.71 0.00 0.00 52.86 52.18 3bpb s ASN 174 Cb -0.25 -1.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.84 3bpb s ASN 174 CO 0.85 0.04 -0.24 -0.22 -1.51 0.00 0.00 177.10 176.02 3bpb s LEU 175 N 1.09 2.15 -0.22 0.60 2.96 -1.18 -0.95 118.68 123.12 3bpb s LEU 175 Ca -0.00 -0.54 -0.08 0.00 -0.22 0.00 0.00 54.13 53.29 3bpb s LEU 175 Cb -0.14 -1.17 -0.04 0.00 0.50 0.00 0.00 46.19 45.34 3bpb s LEU 175 CO -0.05 0.23 0.08 -0.76 -1.32 0.00 0.00 176.35 174.53 3bpb s LEU 176 N -1.10 3.67 -0.00 -0.68 1.43 0.25 0.25 118.68 122.50 3bpb s LEU 176 Ca 0.10 -0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.19 3bpb s LEU 176 Cb -0.09 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 3bpb s LEU 176 CO 0.01 0.07 -0.14 0.00 0.23 0.00 0.00 176.35 176.52 3bpb s ALA 177 N 1.02 1.14 0.02 4.21 0.00 -0.74 -1.96 121.76 125.45 3bpb s ALA 177 Ca 0.04 -0.61 -0.02 0.00 0.00 0.00 0.00 51.96 51.37 3bpb s ALA 177 Cb -0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 3bpb s ALA 177 CO 0.03 0.27 0.02 0.00 0.00 0.00 0.00 175.76 176.09 3bpb s ALA 178 N -0.38 0.02 0.00 0.00 0.00 0.08 -0.85 121.76 120.64 3bpb s ALA 178 Ca 0.05 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.49 3bpb s ALA 178 Cb -0.06 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.22 3bpb s ALA 178 CO -0.00 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 175.96 3bpb n GLY 179 N 1.37 2.17 0.09 0.00 0.00 -1.26 -3.67 105.19 103.89 3bpb n GLY 179 Ca -0.22 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.34 3bpb n GLY 179 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3bpb h GLU 180 N 0.00 -0.20 0.00 1.61 4.11 -1.98 -3.27 114.58 114.85 3bpb h GLU 180 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.44 3bpb h GLU 180 Cb 0.00 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3bpb h GLU 180 CO 0.00 -0.13 0.00 1.19 0.07 0.00 0.00 179.01 180.14 3bpb n PHE 181 N -2.75 0.00 -0.30 2.06 0.99 -1.24 -2.22 117.46 114.00 3bpb n PHE 181 Ca -0.02 0.00 0.33 0.00 -0.00 0.00 0.00 57.45 57.75 3bpb n PHE 181 Cb 0.09 -0.27 0.72 0.00 -1.00 0.00 0.00 39.48 39.01 3bpb n PHE 181 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3bpb h VAL 182 N 0.00 0.44 0.00 -4.37 2.07 -1.76 -1.74 116.25 110.89 3bpb h VAL 182 Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3bpb h VAL 182 Cb 0.00 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3bpb h VAL 182 CO 0.00 0.01 -0.01 -1.54 0.02 0.00 0.00 177.57 176.05 3bpb n SER 183 N -4.25 1.83 -4.65 0.57 3.41 -0.94 -5.03 113.62 104.56 3bpb n SER 183 Ca 0.24 -2.03 -0.42 0.00 -0.26 0.00 0.00 58.87 56.40 3bpb n SER 183 Cb 1.16 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 65.03 3bpb n SER 183 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3bpb s LYS 184 N -1.10 3.97 0.07 4.33 2.20 -0.66 -4.89 119.74 123.67 3bpb s LYS 184 Ca 0.04 2.29 -0.14 0.00 -0.36 0.00 0.00 55.97 57.79 3bpb s LYS 184 Cb 0.03 -4.12 -0.03 0.00 -1.51 0.00 0.00 37.83 32.20 3bpb s LYS 184 CO 0.00 -1.13 0.83 -2.30 -0.36 0.00 0.00 175.35 172.40 3bpb n PRO 185 N 7.61 -0.20 -0.22 4.03 -0.02 -1.26 -1.89 135.00 143.06 3bpb n PRO 185 Ca 0.20 0.82 0.12 0.00 -2.02 0.00 0.00 63.50 62.62 3bpb n PRO 185 Cb 0.43 -1.20 0.22 0.00 -0.02 0.00 0.00 33.50 32.93 3bpb n PRO 185 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3bpb n GLU 186 N -4.21 -0.05 -2.24 -0.52 4.71 -1.26 -1.88 120.64 115.19 3bpb n GLU 186 Ca 0.01 0.93 -0.37 0.00 -0.01 0.00 0.00 57.16 57.72 3bpb n GLU 186 Cb 0.12 -1.52 0.02 0.00 -1.01 0.00 0.00 31.44 29.05 3bpb n GLU 186 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 3bpb n PHE 187 N -4.75 3.09 0.46 -0.32 3.01 -0.79 -4.59 117.46 113.57 3bpb n PHE 187 Ca 0.17 -2.63 0.11 0.00 1.01 0.00 0.00 57.45 56.11 3bpb n PHE 187 Cb 0.55 -0.94 -0.05 0.00 -0.01 0.00 0.00 39.48 39.03 3bpb n PHE 187 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3bpb n GLN 188 N -0.41 0.35 -0.17 -1.08 1.13 -0.79 -3.92 117.38 112.49 3bpb n GLN 188 Ca 0.48 -0.04 0.06 0.00 -1.94 0.00 0.00 57.00 55.56 3bpb n GLN 188 Cb 0.32 -1.57 0.19 0.00 0.11 0.00 0.00 30.24 29.29 3bpb n GLN 188 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3bpb n ASP 189 N -2.01 1.93 -4.78 1.08 8.00 -1.26 -4.86 116.55 114.66 3bpb n ASP 189 Ca 0.01 -1.97 -0.26 0.00 0.71 0.00 0.00 54.79 53.28 3bpb n ASP 189 Cb 0.46 -0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 41.27 3bpb n ASP 189 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3bpb s PHE 190 N -1.54 3.09 -1.41 1.24 0.40 -1.25 -5.00 117.98 113.51 3bpb s PHE 190 Ca 0.25 -0.04 -0.15 0.00 -0.60 0.00 0.00 56.93 56.40 3bpb s PHE 190 Cb 0.13 -1.48 0.06 0.00 0.51 0.00 0.00 43.02 42.24 3bpb s PHE 190 CO 0.18 0.52 2.09 -1.71 0.70 0.00 0.00 175.22 177.00 3bpb n ASN 191 N -0.35 4.21 -4.66 1.36 5.15 0.09 -4.91 115.26 116.15 3bpb n ASN 191 Ca -0.08 -2.88 -0.49 0.00 -0.60 0.00 0.00 54.58 50.52 3bpb n ASN 191 Cb 0.55 -1.66 -0.05 0.00 -0.53 0.00 0.00 39.78 38.08 3bpb n ASN 191 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 3bpb n ILE 192 N 5.24 0.22 -3.79 -1.44 5.41 -1.26 -3.11 119.36 120.63 3bpb n ILE 192 Ca 0.50 -0.04 -0.37 0.00 1.00 0.00 0.00 62.75 63.84 3bpb n ILE 192 Cb 0.40 -1.46 -0.12 0.00 -0.71 0.00 0.00 39.64 37.75 3bpb n ILE 192 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3bpb s ILE 193 N 2.16 3.46 0.26 1.39 1.01 0.14 -4.94 121.20 124.67 3bpb s ILE 193 Ca 0.87 -1.51 -0.30 0.00 0.00 0.00 0.00 60.65 59.71 3bpb s ILE 193 Cb -0.79 -3.11 -0.10 0.00 0.01 0.00 0.00 42.46 38.48 3bpb s ILE 193 CO 0.48 -0.35 1.32 -0.70 0.00 0.00 0.00 174.94 175.69 3bpb s GLU 194 N 1.28 4.37 -0.26 2.79 2.12 -1.26 -1.78 118.70 125.97 3bpb s GLU 194 Ca 0.01 2.14 -0.05 0.00 0.36 0.00 0.00 54.97 57.42 3bpb s GLU 194 Cb -0.21 -3.14 -0.00 0.00 0.26 0.00 0.00 34.13 31.04 3bpb s GLU 194 CO -0.01 -0.23 0.02 0.42 -0.54 0.00 0.00 175.26 174.93 3bpb s ILE 195 N -0.39 3.75 0.57 -3.70 -1.09 -0.03 -4.92 121.20 115.38 3bpb s ILE 195 Ca 0.54 -0.54 -0.21 0.00 -2.23 0.00 0.00 60.65 58.21 3bpb s ILE 195 Cb -0.38 -2.82 -0.04 0.00 -1.58 0.00 0.00 42.46 37.64 3bpb s ILE 195 CO 0.44 0.26 1.34 -2.16 -1.23 0.00 0.00 174.94 173.59 3bpb s PRO 196 N 1.50 2.99 0.09 2.79 0.04 -1.26 -4.55 135.00 136.59 3bpb s PRO 196 Ca 0.04 2.18 -0.17 0.00 0.04 0.00 0.00 61.00 63.09 3bpb s PRO 196 Cb -0.16 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 3bpb s PRO 196 CO 0.00 -1.29 1.27 -0.85 0.04 0.00 0.00 177.00 176.17 3bpb n GLU 197 N -1.26 -0.24 0.30 4.56 0.28 -1.26 -0.68 120.64 122.33 3bpb n GLU 197 Ca 0.12 1.25 0.16 0.00 -0.16 0.00 0.00 57.16 58.53 3bpb n GLU 197 Cb 0.46 -1.85 0.78 0.00 1.43 0.00 0.00 31.44 32.26 3bpb n GLU 197 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3bpb h GLU 198 N 0.00 0.00 -0.24 3.44 3.07 -2.06 0.02 114.58 118.81 3bpb h GLU 198 Ca 0.09 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.93 3bpb h GLU 198 Cb 0.23 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 3bpb h GLU 198 CO -0.52 0.00 -0.00 0.39 -1.40 0.00 0.00 179.01 177.48 3bpb n GLU 199 N -2.99 2.63 0.27 2.33 1.02 0.14 -4.74 120.64 119.30 3bpb n GLU 199 Ca -0.01 -2.84 0.17 0.00 -0.02 0.00 0.00 57.16 54.47 3bpb n GLU 199 Cb 0.43 -1.80 0.93 0.00 -0.02 0.00 0.00 31.44 30.98 3bpb n GLU 199 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3bpb h SER 200 N 1.51 0.00 0.12 1.62 4.64 -0.49 -1.19 113.55 119.76 3bpb h SER 200 Ca 0.02 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.21 3bpb h SER 200 Cb 1.41 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.49 3bpb h SER 200 CO 0.21 0.00 -0.44 0.22 -0.87 0.00 0.00 176.83 175.95 3bpb h TYR 201 N 0.00 0.47 0.00 4.77 3.20 -1.85 -2.44 116.97 121.13 3bpb h TYR 201 Ca 0.00 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.73 3bpb h TYR 201 Cb 0.10 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3bpb h TYR 201 CO 0.00 0.77 0.00 0.00 -1.64 0.00 0.00 178.16 177.29 3bpb n ALA 202 N -2.49 2.06 0.40 1.82 0.00 -0.45 -2.06 120.51 119.79 3bpb n ALA 202 Ca -0.02 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.46 3bpb n ALA 202 Cb 0.52 -1.22 0.50 0.00 0.00 0.00 0.00 19.45 19.25 3bpb n ALA 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bpb h ALA 203 N 2.86 1.00 -2.60 0.00 0.00 -1.57 -3.36 119.26 115.58 3bpb h ALA 203 Ca 0.00 0.00 -0.75 0.00 0.00 0.00 0.00 54.91 54.16 3bpb h ALA 203 Cb 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.52 3bpb h ALA 203 CO 0.00 0.00 -0.18 1.21 0.00 0.00 0.00 179.25 180.28 3bpb s ASN 204 N -4.36 6.13 0.38 0.00 3.84 -0.88 -3.63 114.94 116.43 3bpb s ASN 204 Ca 0.04 -2.24 0.04 0.00 0.21 0.00 0.00 52.86 50.91 3bpb s ASN 204 Cb 0.09 -2.11 -0.03 0.00 -0.55 0.00 0.00 41.25 38.64 3bpb s ASN 204 CO 0.41 -0.67 0.11 0.00 -2.79 0.00 0.00 177.10 174.16 3bpb s ILE 206 N -3.25 0.34 -0.27 0.00 -4.36 -0.52 -4.60 121.20 108.54 3bpb s ILE 206 Ca 0.27 -0.35 -0.12 0.00 -0.26 0.00 0.00 60.65 60.19 3bpb s ILE 206 Cb 0.04 -0.32 -0.05 0.00 1.25 0.00 0.00 42.46 43.38 3bpb s ILE 206 CO 0.14 -0.01 0.23 0.86 0.24 0.00 0.00 174.94 176.40 3bpb s TRP 207 N -0.36 3.24 -0.16 1.37 -0.00 -1.26 -0.95 118.94 120.81 3bpb s TRP 207 Ca -0.01 0.20 -0.00 0.00 -0.00 0.00 0.00 56.10 56.28 3bpb s TRP 207 Cb -0.03 -2.41 0.04 0.00 -0.00 0.00 0.00 33.47 31.07 3bpb s TRP 207 CO -0.00 -0.14 -0.06 0.08 -0.00 0.00 0.00 176.95 176.83 3bpb s VAL 208 N 1.73 1.10 -0.56 5.86 1.01 -0.10 -4.89 120.40 124.55 3bpb s VAL 208 Ca 0.09 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 3bpb s VAL 208 Cb -0.16 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 34.98 3bpb s VAL 208 CO 0.10 0.16 0.34 0.59 0.00 0.00 0.00 175.10 176.29 3bpb n ASN 209 N 4.88 -2.28 0.00 3.32 3.02 -1.26 0.10 115.26 123.04 3bpb n ASN 209 Ca -0.12 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 3bpb n ASN 209 Cb 0.48 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 3bpb n ASN 209 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3bpb n GLU 210 N -2.57 0.00 -3.70 3.52 -0.58 -1.26 -4.97 120.64 111.08 3bpb n GLU 210 Ca -0.10 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.42 3bpb n GLU 210 Cb 0.32 -3.52 -0.01 0.00 -0.57 0.00 0.00 31.44 27.66 3bpb n GLU 210 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3bpb s ARG 211 N -0.44 3.39 -0.09 3.49 1.81 0.28 -3.45 118.95 123.93 3bpb s ARG 211 Ca 0.00 -0.67 -0.02 0.00 -1.72 0.00 0.00 55.73 53.32 3bpb s ARG 211 Cb 0.00 -2.80 0.04 0.00 -0.45 0.00 0.00 34.95 31.73 3bpb s ARG 211 CO 0.00 0.27 0.03 0.08 -0.68 0.00 0.00 175.30 175.00 3bpb s VAL 212 N -2.12 0.19 -0.14 3.52 1.01 -1.17 -0.92 120.40 120.77 3bpb s VAL 212 Ca 0.38 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 3bpb s VAL 212 Cb -0.09 -0.49 -0.05 0.00 0.00 0.00 0.00 36.38 35.75 3bpb s VAL 212 CO 0.32 0.11 0.29 -0.63 0.00 0.00 0.00 175.10 175.19 3bpb s ILE 213 N 2.04 5.29 0.13 2.22 1.01 -0.13 -0.75 121.20 131.01 3bpb s ILE 213 Ca 0.04 0.55 -0.02 0.00 0.00 0.00 0.00 60.65 61.23 3bpb s ILE 213 Cb -0.13 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 3bpb s ILE 213 CO -0.05 0.44 0.07 0.00 0.00 0.00 0.00 174.94 175.39 3bpb s MET 214 N 0.12 0.93 0.57 2.79 0.23 -0.28 -1.44 119.30 122.22 3bpb s MET 214 Ca 0.17 -1.42 -0.18 0.00 -1.03 0.00 0.00 55.69 53.23 3bpb s MET 214 Cb -0.13 0.25 -0.04 0.00 -1.53 0.00 0.00 34.83 33.37 3bpb s MET 214 CO 0.05 -0.27 1.12 -1.25 -2.03 0.00 0.00 175.02 172.64 3bpb s PRO 215 N -4.04 3.23 0.37 3.16 0.04 -1.25 -0.24 135.00 136.26 3bpb s PRO 215 Ca 0.23 1.53 -0.21 0.00 0.04 0.00 0.00 61.00 62.60 3bpb s PRO 215 Cb 0.07 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 3bpb s PRO 215 CO 0.01 -0.94 0.89 0.00 0.04 0.00 0.00 177.00 177.01 3bpb s ALA 216 N -1.94 3.16 0.00 8.56 0.00 0.16 -4.23 121.76 127.47 3bpb s ALA 216 Ca 0.71 0.34 0.00 0.00 0.00 0.00 0.00 51.96 53.00 3bpb s ALA 216 Cb -0.22 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.84 3bpb s ALA 216 CO 0.31 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.67 3bpb n GLY 217 N -0.21 0.90 2.46 0.00 0.00 -1.26 -4.83 105.19 102.24 3bpb n GLY 217 Ca 0.04 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 3bpb n GLY 217 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3bpb n TYR 218 N -2.19 2.42 -0.05 1.61 4.02 -1.26 -4.99 117.16 116.72 3bpb n TYR 218 Ca 0.00 -3.95 -0.11 0.00 -0.01 0.00 0.00 57.90 53.84 3bpb n TYR 218 Cb 0.00 -0.48 -0.07 0.00 -0.02 0.00 0.00 39.34 38.77 3bpb n TYR 218 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3bpb h PRO 219 N 3.72 -0.35 -0.46 -0.72 0.13 -1.95 0.43 132.00 132.79 3bpb h PRO 219 Ca 0.14 0.02 0.05 0.00 -0.87 0.00 0.00 66.00 65.35 3bpb h PRO 219 Cb 0.71 0.08 -0.08 0.00 0.13 0.00 0.00 31.00 31.85 3bpb h PRO 219 CO 0.71 -0.24 -0.46 0.00 -0.23 0.00 0.00 178.00 177.78 3bpb h ARG 220 N -0.37 -0.23 -0.74 0.86 3.08 -1.99 1.65 114.38 116.65 3bpb h ARG 220 Ca 0.04 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.16 3bpb h ARG 220 Cb 0.47 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.52 3bpb h ARG 220 CO -0.37 -0.15 0.43 1.15 -1.07 0.00 0.00 179.97 179.96 3bpb h THR 221 N -0.24 1.01 -0.21 2.04 2.02 -1.91 -1.51 112.91 114.12 3bpb h THR 221 Ca 0.08 -0.28 0.04 0.00 0.77 0.00 0.00 66.41 67.02 3bpb h THR 221 Cb 0.45 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 3bpb h THR 221 CO -0.56 0.15 -0.02 -0.09 0.37 0.00 0.00 175.52 175.36 3bpb h ARG 222 N 0.80 0.04 0.00 6.66 1.12 0.27 -2.70 114.38 120.58 3bpb h ARG 222 Ca 0.32 -0.00 0.02 0.00 -1.11 0.00 0.00 59.98 59.21 3bpb h ARG 222 Cb 0.16 -0.01 -0.05 0.00 -0.01 0.00 0.00 29.97 30.06 3bpb h ARG 222 CO -0.17 0.03 -0.50 1.49 -3.11 0.00 0.00 179.97 177.71 3bpb h GLU 223 N 0.04 -0.60 -1.16 0.20 4.57 0.33 -1.11 114.58 116.85 3bpb h GLU 223 Ca 0.10 0.04 0.33 0.00 -1.18 0.00 0.00 59.36 58.65 3bpb h GLU 223 Cb 0.14 0.14 -0.10 0.00 -0.16 0.00 0.00 28.75 28.76 3bpb h GLU 223 CO -0.18 -0.40 0.76 0.87 -1.18 0.00 0.00 179.01 178.87 3bpb h LYS 224 N -0.63 0.24 -0.05 1.92 1.57 -1.25 0.32 116.57 118.70 3bpb h LYS 224 Ca 0.01 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3bpb h LYS 224 Cb 0.67 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3bpb h LYS 224 CO -0.33 0.16 -0.10 0.82 -0.57 0.00 0.00 179.45 179.43 3bpb h ILE 225 N 0.25 1.43 -0.96 1.86 2.04 -0.90 -2.80 117.51 118.43 3bpb h ILE 225 Ca 0.67 -1.43 0.05 0.00 1.00 0.00 0.00 64.86 65.15 3bpb h ILE 225 Cb 1.96 2.27 -0.06 0.00 -0.74 0.00 0.00 36.82 40.26 3bpb h ILE 225 CO -0.30 0.39 0.63 0.00 0.00 0.00 0.00 178.15 178.86 3bpb h ALA 226 N 0.46 1.42 -0.41 1.87 0.00 -0.40 -2.29 119.26 119.91 3bpb h ALA 226 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3bpb h ALA 226 Cb 0.68 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3bpb h ALA 226 CO 0.02 0.46 -0.24 -2.13 0.00 0.00 0.00 179.25 177.36 3bpb n ARG 227 N -4.47 -0.18 0.00 0.00 3.00 1.00 0.13 116.66 116.14 3bpb n ARG 227 Ca 0.14 1.17 0.00 0.00 -0.00 0.00 0.00 57.85 59.16 3bpb n ARG 227 Cb 0.15 -1.74 0.00 0.00 0.00 0.00 0.00 32.46 30.86 3bpb n ARG 227 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3bpb n LEU 228 N -3.93 0.00 0.00 6.15 4.77 -0.86 -4.75 117.00 118.38 3bpb n LEU 228 Ca 0.01 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3bpb n LEU 228 Cb 0.11 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3bpb n LEU 228 CO -0.07 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.51 3bpb n GLY 229 N -1.00 0.50 3.78 -0.72 0.00 0.35 -5.05 105.19 103.06 3bpb n GLY 229 Ca 0.00 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 3bpb n GLY 229 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bpb s TYR 230 N -2.00 3.84 -1.09 1.61 2.02 -1.22 -4.95 117.35 115.56 3bpb s TYR 230 Ca 0.00 1.47 -0.22 0.00 -0.37 0.00 0.00 57.07 57.95 3bpb s TYR 230 Cb 0.00 -2.68 -0.02 0.00 -0.40 0.00 0.00 41.96 38.86 3bpb s TYR 230 CO 0.00 0.50 1.81 0.50 -1.57 0.00 0.00 175.55 176.78 3bpb s ARG 231 N -0.92 3.02 0.53 -0.62 6.06 -1.22 -4.46 118.95 121.34 3bpb s ARG 231 Ca 0.34 -1.07 -0.22 0.00 -2.50 0.00 0.00 55.73 52.28 3bpb s ARG 231 Cb -0.21 -5.27 -0.05 0.00 0.06 0.00 0.00 34.95 29.47 3bpb s ARG 231 CO 0.23 -3.12 1.34 0.08 -2.50 0.00 0.00 175.30 171.33 3bpb s VAL 232 N 8.22 2.19 -0.08 7.11 1.01 -1.26 -3.02 120.40 134.56 3bpb s VAL 232 Ca 0.62 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.72 3bpb s VAL 232 Cb -0.01 -3.07 0.03 0.00 0.00 0.00 0.00 36.38 33.33 3bpb s VAL 232 CO 0.04 -0.00 0.02 -0.63 0.00 0.00 0.00 175.10 174.53 3bpb s ILE 233 N -1.33 0.28 -0.10 2.22 1.01 0.07 -4.88 121.20 118.47 3bpb s ILE 233 Ca 0.70 0.09 -0.15 0.00 0.00 0.00 0.00 60.65 61.30 3bpb s ILE 233 Cb -0.39 -0.52 -0.05 0.00 0.01 0.00 0.00 42.46 41.51 3bpb s ILE 233 CO 0.47 0.17 0.37 -1.61 0.00 0.00 0.00 174.94 174.34 3bpb s GLU 234 N 2.01 4.15 -0.05 2.79 2.02 -1.26 -1.13 118.70 127.23 3bpb s GLU 234 Ca 0.04 0.28 0.01 0.00 0.02 0.00 0.00 54.97 55.32 3bpb s GLU 234 Cb -0.13 -3.36 0.02 0.00 0.10 0.00 0.00 34.13 30.76 3bpb s GLU 234 CO -0.05 0.37 -0.04 0.08 0.02 0.00 0.00 175.26 175.63 3bpb s VAL 235 N 0.01 0.53 -0.27 2.63 1.01 0.67 -4.81 120.40 120.16 3bpb s VAL 235 Ca 0.21 -0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.80 3bpb s VAL 235 Cb -0.15 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.68 3bpb s VAL 235 CO 0.08 0.23 1.03 -0.62 0.00 0.00 0.00 175.10 175.83 3bpb s ASP 236 N 0.99 7.00 0.00 3.32 2.15 -1.26 -0.66 116.67 128.21 3bpb s ASP 236 Ca -0.10 1.20 0.02 0.00 0.43 0.00 0.00 52.55 54.10 3bpb s ASP 236 Cb -0.14 -2.53 0.07 0.00 -0.30 0.00 0.00 42.92 40.01 3bpb s ASP 236 CO -0.00 -0.74 1.01 0.35 -0.17 0.00 0.00 175.17 175.61 3bpb n THR 237 N 5.55 0.89 -0.15 1.71 -2.24 -1.26 -4.72 114.28 114.05 3bpb n THR 237 Ca 0.11 -0.94 0.02 0.00 -2.27 0.00 0.00 64.05 60.97 3bpb n THR 237 Cb 0.47 0.56 0.06 0.00 -2.10 0.00 0.00 70.33 69.31 3bpb n THR 237 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3bpb n SER 238 N -0.22 -0.15 0.32 3.42 3.41 -1.26 0.24 113.62 119.37 3bpb n SER 238 Ca 0.03 0.70 0.20 0.00 -0.26 0.00 0.00 58.87 59.53 3bpb n SER 238 Cb 0.27 -0.21 1.08 0.00 -0.26 0.00 0.00 64.21 65.08 3bpb n SER 238 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3bpb h GLU 239 N 0.00 0.00 0.00 4.33 4.39 -1.96 -0.05 114.58 121.29 3bpb h GLU 239 Ca 0.19 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.74 3bpb h GLU 239 Cb 0.30 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 3bpb h GLU 239 CO -0.42 0.01 -1.42 0.66 -1.16 0.00 0.00 179.01 176.68 3bpb n TYR 240 N -3.35 0.93 0.26 4.33 4.02 0.64 -3.50 117.16 120.50 3bpb n TYR 240 Ca -0.03 0.31 0.10 0.00 -0.01 0.00 0.00 57.90 58.27 3bpb n TYR 240 Cb 0.10 -1.06 0.69 0.00 -0.02 0.00 0.00 39.34 39.05 3bpb n TYR 240 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 3bpb h ARG 241 N 0.00 0.00 0.00 -0.72 2.43 -0.58 0.36 114.38 115.87 3bpb h ARG 241 Ca -0.16 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 3bpb h ARG 241 Cb 1.54 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.09 3bpb h ARG 241 CO 0.04 0.09 -0.05 0.87 -1.51 0.00 0.00 179.97 179.41 3bpb h LYS 242 N 0.00 0.00 -0.71 0.20 1.57 -1.49 -2.72 116.57 113.42 3bpb h LYS 242 Ca -0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.32 3bpb h LYS 242 Cb 0.19 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 32.08 3bpb h LYS 242 CO 0.01 0.05 -0.91 0.44 -0.57 0.00 0.00 179.45 178.48 3bpb n ILE 243 N -3.39 2.13 -3.85 1.86 -5.35 -0.26 -4.68 119.36 105.82 3bpb n ILE 243 Ca -0.02 -3.87 -0.29 0.00 -0.27 0.00 0.00 62.75 58.30 3bpb n ILE 243 Cb 0.19 -0.42 0.03 0.00 -1.74 0.00 0.00 39.64 37.71 3bpb n ILE 243 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3bpb n ASP 244 N -0.65 -5.05 -4.37 7.28 8.00 -1.02 -4.69 116.55 116.04 3bpb n ASP 244 Ca 0.32 -0.73 -0.29 0.00 0.71 0.00 0.00 54.79 54.80 3bpb n ASP 244 Cb 0.90 -4.02 -0.14 0.00 -0.02 0.00 0.00 41.12 37.84 3bpb n ASP 244 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3bpb s GLY 245 N -3.27 1.51 0.02 0.44 0.00 0.11 -4.97 107.32 101.15 3bpb s GLY 245 Ca 0.65 -1.40 -0.00 0.00 0.00 0.00 0.00 44.72 43.97 3bpb s GLY 245 CO 0.80 -1.35 0.03 0.61 0.00 0.00 0.00 173.10 173.19 3bpb n GLY 246 N 1.19 3.19 0.32 0.20 0.00 -1.26 -2.72 105.19 106.12 3bpb n GLY 246 Ca -0.18 -1.43 0.07 0.00 0.00 0.00 0.00 46.02 44.49 3bpb n GLY 246 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3bpb h VAL 247 N 1.06 0.77 -0.24 1.61 -1.51 -1.94 -1.49 116.25 114.51 3bpb h VAL 247 Ca -0.02 -0.25 -0.16 0.00 -1.23 0.00 0.00 66.70 65.05 3bpb h VAL 247 Cb 0.07 -0.01 -0.01 0.00 -2.13 0.00 0.00 31.29 29.21 3bpb h VAL 247 CO 0.02 0.13 -0.49 0.77 -1.23 0.00 0.00 177.57 176.77 3bpb h SER 248 N 0.72 0.72 0.18 4.19 4.64 -1.82 -3.06 113.55 119.11 3bpb h SER 248 Ca 0.48 -0.36 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 3bpb h SER 248 Cb 0.63 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3bpb h SER 248 CO -0.34 1.09 -0.08 0.00 -0.87 0.00 0.00 176.83 176.63 3bpb n MET 250 N -3.89 2.77 -3.62 0.00 2.81 -0.97 -1.94 117.12 112.28 3bpb n MET 250 Ca -0.02 -1.86 -0.04 0.00 -1.81 0.00 0.00 57.70 53.97 3bpb n MET 250 Cb 0.18 -1.87 -0.02 0.00 -0.71 0.00 0.00 33.22 30.79 3bpb n MET 250 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3bpb s SER 251 N -0.43 -0.10 -0.13 7.83 1.04 -1.20 -4.65 113.70 116.05 3bpb s SER 251 Ca 0.33 0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.77 3bpb s SER 251 Cb 0.26 0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 3bpb s SER 251 CO 0.08 -0.15 -0.10 -0.76 0.98 0.00 0.00 173.24 173.30 3bpb s LEU 252 N -1.90 2.92 -0.09 2.42 1.02 -0.46 -4.15 118.68 118.44 3bpb s LEU 252 Ca 0.09 -0.24 0.03 0.00 0.02 0.00 0.00 54.13 54.03 3bpb s LEU 252 Cb -0.01 -1.67 0.01 0.00 0.02 0.00 0.00 46.19 44.54 3bpb s LEU 252 CO -0.04 0.18 -0.18 -0.13 0.02 0.00 0.00 176.35 176.20 3bpb s ARG 253 N 0.28 2.35 0.00 1.70 0.52 -1.26 -1.52 118.95 121.02 3bpb s ARG 253 Ca -0.07 -0.63 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 3bpb s ARG 253 Cb -0.15 -1.87 0.00 0.00 0.52 0.00 0.00 34.95 33.45 3bpb s ARG 253 CO 0.04 0.07 0.00 1.97 0.02 0.00 0.00 175.30 177.40