#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bvb s THR 2 N 0.00 5.15 -0.04 3.15 2.01 -1.26 -5.04 115.64 119.61 2bvb s THR 2 Ca 0.00 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.12 2bvb s THR 2 Cb 0.00 -3.43 0.02 0.00 0.01 0.00 0.00 72.50 69.10 2bvb s THR 2 CO 0.00 0.29 -0.04 -0.70 -0.69 0.00 0.00 174.62 173.48 2bvb s GLU 3 N 1.52 0.80 -0.14 4.92 2.12 -1.26 -4.20 118.70 122.47 2bvb s GLU 3 Ca 0.07 -0.09 0.01 0.00 0.36 0.00 0.00 54.97 55.31 2bvb s GLU 3 Cb -0.15 -0.83 0.02 0.00 0.26 0.00 0.00 34.13 33.43 2bvb s GLU 3 CO 0.08 -0.09 -0.14 0.42 -0.54 0.00 0.00 175.26 174.99 2bvb s ILE 4 N 0.95 1.50 -0.70 -3.70 1.01 -1.26 -4.99 121.20 114.00 2bvb s ILE 4 Ca -0.11 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 59.98 2bvb s ILE 4 Cb -0.14 -1.41 0.19 0.00 0.01 0.00 0.00 42.46 41.11 2bvb s ILE 4 CO -0.00 0.45 0.87 1.41 0.00 0.00 0.00 174.94 177.66 2bvb n HIS 5 N 4.67 0.54 0.00 3.97 8.25 -1.26 -4.32 115.22 127.07 2bvb n HIS 5 Ca -0.17 -0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.01 2bvb n HIS 5 Cb 0.50 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.38 2bvb n HIS 5 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bvb n GLY 6 N 0.14 -0.12 0.00 -1.41 0.00 -1.26 -4.42 105.19 98.12 2bvb n GLY 6 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2bvb n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2bvb n ASP 7 N -1.71 0.00 -4.32 1.61 2.03 -1.26 -4.14 116.55 108.77 2bvb n ASP 7 Ca 0.00 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.04 2bvb n ASP 7 Cb 0.00 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.26 2bvb n ASP 7 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2bvb s SER 8 N -0.68 2.87 -0.16 1.67 0.15 -1.26 -1.75 113.70 114.54 2bvb s SER 8 Ca 0.00 -0.63 -0.04 0.00 0.70 0.00 0.00 55.95 55.99 2bvb s SER 8 Cb 0.00 -0.22 0.05 0.00 -1.71 0.00 0.00 66.02 64.15 2bvb s SER 8 CO 0.00 0.17 0.06 0.28 1.20 0.00 0.00 173.24 174.95 2bvb s THR 9 N -0.94 0.18 0.10 6.45 -1.32 0.21 -4.61 115.64 115.71 2bvb s THR 9 Ca 0.10 -0.21 0.04 0.00 -1.21 0.00 0.00 61.69 60.41 2bvb s THR 9 Cb -0.10 -0.69 -0.04 0.00 -1.51 0.00 0.00 72.50 70.17 2bvb s THR 9 CO 0.03 -0.15 0.06 -0.54 -2.21 0.00 0.00 174.62 171.81 2bvb s LYS 10 N 2.03 2.77 -0.30 7.08 1.02 -1.26 -1.61 119.74 129.47 2bvb s LYS 10 Ca 0.02 -0.78 -0.14 0.00 0.02 0.00 0.00 55.97 55.08 2bvb s LYS 10 Cb -0.16 -2.64 0.16 0.00 -0.52 0.00 0.00 37.83 34.67 2bvb s LYS 10 CO -0.08 0.54 0.93 0.00 -0.92 0.00 0.00 175.35 175.82 2bvb s ALA 11 N -1.45 -2.54 0.37 5.17 0.00 -0.74 -4.86 121.76 117.72 2bvb s ALA 11 Ca 0.28 2.12 -0.28 0.00 0.00 0.00 0.00 51.96 54.09 2bvb s ALA 11 Cb -0.12 -1.96 -0.10 0.00 0.00 0.00 0.00 23.12 20.94 2bvb s ALA 11 CO 0.21 -0.87 1.40 0.99 0.00 0.00 0.00 175.76 177.50 2bvb s THR 12 N 2.37 2.33 0.11 0.00 2.01 -1.26 -2.65 115.64 118.56 2bvb s THR 12 Ca -0.04 0.33 0.06 0.00 0.31 0.00 0.00 61.69 62.36 2bvb s THR 12 Cb -0.07 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 2bvb s THR 12 CO -0.17 0.07 -0.06 -1.48 -0.69 0.00 0.00 174.62 172.29 2bvb s LEU 13 N -2.08 3.19 0.10 4.42 0.05 0.70 -4.56 118.68 120.51 2bvb s LEU 13 Ca 0.52 -0.33 0.08 0.00 0.05 0.00 0.00 54.13 54.46 2bvb s LEU 13 Cb -0.43 -1.95 -0.03 0.00 -2.05 0.00 0.00 46.19 41.72 2bvb s LEU 13 CO 0.58 0.16 -0.21 -0.70 -0.55 0.00 0.00 176.35 175.63 2bvb s GLU 14 N -2.34 1.14 0.18 1.48 2.12 -1.21 -3.11 118.70 116.97 2bvb s GLU 14 Ca 0.23 -1.16 -0.26 0.00 0.36 0.00 0.00 54.97 54.14 2bvb s GLU 14 Cb -0.11 -1.41 -0.16 0.00 0.26 0.00 0.00 34.13 32.71 2bvb s GLU 14 CO 0.16 0.33 0.50 0.39 -0.54 0.00 0.00 175.26 176.10 2bvb n GLU 15 N 1.11 0.00 -2.93 4.30 1.02 -1.21 -2.81 120.64 120.13 2bvb n GLU 15 Ca -0.19 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.83 2bvb n GLU 15 Cb 0.53 -0.95 0.06 0.00 -0.02 0.00 0.00 31.44 31.07 2bvb n GLU 15 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bvb n GLY 16 N 1.86 -0.18 3.32 0.62 0.00 -1.24 -4.86 105.19 104.70 2bvb n GLY 16 Ca 0.17 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 2bvb n GLY 16 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2bvb n GLN 17 N -3.06 0.80 -3.62 1.61 6.02 -0.70 -0.86 117.38 117.58 2bvb n GLN 17 Ca -0.17 -3.08 -0.08 0.00 -0.01 0.00 0.00 57.00 53.66 2bvb n GLN 17 Cb 0.61 0.44 -0.09 0.00 1.02 0.00 0.00 30.24 32.22 2bvb n GLN 17 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2bvb s GLN 18 N -3.91 0.34 -0.50 -1.09 0.74 -0.53 -0.39 119.66 114.32 2bvb s GLN 18 Ca 0.22 1.01 -0.12 0.00 0.05 0.00 0.00 55.36 56.52 2bvb s GLN 18 Cb -0.02 0.28 0.12 0.00 1.10 0.00 0.00 33.01 34.50 2bvb s GLN 18 CO 0.14 -0.29 0.41 -0.51 -0.55 0.00 0.00 175.29 174.49 2bvb s LEU 19 N 2.62 5.90 -0.67 3.68 1.43 -0.01 -3.13 118.68 128.49 2bvb s LEU 19 Ca -0.00 -1.87 -0.13 0.00 -1.03 0.00 0.00 54.13 51.10 2bvb s LEU 19 Cb -0.12 -2.09 0.17 0.00 0.03 0.00 0.00 46.19 44.18 2bvb s LEU 19 CO -0.13 -0.76 0.59 -0.89 0.23 0.00 0.00 176.35 175.39 2bvb s THR 20 N 1.44 5.10 -0.38 5.49 2.01 -0.53 -1.08 115.64 127.70 2bvb s THR 20 Ca 0.05 -2.13 -0.10 0.00 0.31 0.00 0.00 61.69 59.82 2bvb s THR 20 Cb -0.28 -4.23 0.04 0.00 0.01 0.00 0.00 72.50 68.05 2bvb s THR 20 CO 0.01 -0.93 0.20 -0.22 -0.69 0.00 0.00 174.62 172.98 2bvb s LEU 21 N 0.75 4.73 -0.52 4.42 2.96 -0.13 -1.66 118.68 129.23 2bvb s LEU 21 Ca 0.12 -1.13 -0.15 0.00 -0.22 0.00 0.00 54.13 52.75 2bvb s LEU 21 Cb -0.19 -1.99 0.12 0.00 0.50 0.00 0.00 46.19 44.63 2bvb s LEU 21 CO -0.04 -0.41 0.46 -0.89 -1.32 0.00 0.00 176.35 174.15 2bvb s THR 22 N 1.50 5.02 0.21 3.68 2.01 -1.07 -1.29 115.64 125.70 2bvb s THR 22 Ca 0.01 -1.49 0.10 0.00 0.31 0.00 0.00 61.69 60.62 2bvb s THR 22 Cb -0.20 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.06 2bvb s THR 22 CO 0.05 -0.81 -0.19 0.72 -0.69 0.00 0.00 174.62 173.70 2bvb s PHE 23 N 1.56 2.02 -0.77 4.92 -0.71 -0.85 -3.20 117.98 120.96 2bvb s PHE 23 Ca 0.04 -0.43 0.03 0.00 -1.04 0.00 0.00 56.93 55.53 2bvb s PHE 23 Cb -0.29 -0.95 0.19 0.00 -1.21 0.00 0.00 43.02 40.77 2bvb s PHE 23 CO 0.03 0.48 0.61 -0.89 -1.34 0.00 0.00 175.22 174.11 2bvb n ILE 24 N -0.14 2.15 -3.93 -4.49 5.41 -1.26 -0.42 119.36 116.67 2bvb n ILE 24 Ca -0.09 -4.98 -0.08 0.00 1.00 0.00 0.00 62.75 58.59 2bvb n ILE 24 Cb 0.58 -2.24 -0.04 0.00 -0.71 0.00 0.00 39.64 37.24 2bvb n ILE 24 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2bvb s SER 25 N -1.16 -0.15 -0.06 4.38 0.15 -1.00 -4.84 113.70 111.01 2bvb s SER 25 Ca 0.27 -0.80 0.13 0.00 0.70 0.00 0.00 55.95 56.25 2bvb s SER 25 Cb -0.04 0.66 0.40 0.00 -1.71 0.00 0.00 66.02 65.33 2bvb s SER 25 CO -0.15 -1.25 1.32 0.35 1.20 0.00 0.00 173.24 174.72 2bvb n THR 26 N -0.42 1.46 -3.74 6.45 -2.24 -1.26 -4.72 114.28 109.80 2bvb n THR 26 Ca -0.03 -1.30 -0.13 0.00 -2.27 0.00 0.00 64.05 60.32 2bvb n THR 26 Cb 0.61 0.23 -0.10 0.00 -2.10 0.00 0.00 70.33 68.97 2bvb n THR 26 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2bvb s LYS 27 N -1.64 0.45 -0.28 -0.78 0.00 -1.26 -0.56 119.74 115.67 2bvb s LYS 27 Ca 0.30 0.51 -0.01 0.00 0.00 0.00 0.00 55.97 56.78 2bvb s LYS 27 Cb 0.20 0.22 0.13 0.00 0.00 0.00 0.00 37.83 38.39 2bvb s LYS 27 CO 0.14 -0.06 0.30 -1.17 0.00 0.00 0.00 175.35 174.56 2bvb s LEU 28 N 0.15 -0.30 -0.77 2.77 1.98 -0.08 -4.64 118.68 117.79 2bvb s LEU 28 Ca -0.00 -0.62 -0.25 0.00 -2.89 0.00 0.00 54.13 50.36 2bvb s LEU 28 Cb -0.03 0.59 0.04 0.00 0.66 0.00 0.00 46.19 47.45 2bvb s LEU 28 CO 0.01 -0.38 1.24 -0.62 -1.89 0.00 0.00 176.35 174.71 2bvb s ASP 29 N 2.39 6.22 -0.03 3.68 -1.08 0.19 -1.63 116.67 126.41 2bvb s ASP 29 Ca 0.09 -0.72 -0.08 0.00 -0.52 0.00 0.00 52.55 51.33 2bvb s ASP 29 Cb -0.14 -2.53 -0.05 0.00 -1.46 0.00 0.00 42.92 38.74 2bvb s ASP 29 CO -0.30 -1.70 0.25 -0.69 0.52 0.00 0.00 175.17 173.24 2bvb s VAL 30 N 5.25 5.33 -0.44 1.11 1.01 -0.90 -1.52 120.40 130.25 2bvb s VAL 30 Ca 0.34 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.61 2bvb s VAL 30 Cb -0.08 -3.54 0.16 0.00 0.00 0.00 0.00 36.38 32.92 2bvb s VAL 30 CO 0.10 0.46 0.34 0.00 0.00 0.00 0.00 175.10 176.00 2bvb s ALA 31 N -1.20 1.64 -0.57 5.51 0.00 0.02 -3.27 121.76 123.89 2bvb s ALA 31 Ca 0.23 -2.54 -0.26 0.00 0.00 0.00 0.00 51.96 49.39 2bvb s ALA 31 Cb -0.13 -1.67 -0.07 0.00 0.00 0.00 0.00 23.12 21.24 2bvb s ALA 31 CO 0.12 -2.01 2.31 0.08 0.00 0.00 0.00 175.76 176.27 2bvb s VAL 32 N 0.03 3.07 0.00 0.00 1.01 -1.23 -1.49 120.40 121.79 2bvb s VAL 32 Ca 0.29 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.29 2bvb s VAL 32 Cb -0.02 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2bvb s VAL 32 CO -0.16 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.36 2bvb n GLY 33 N 6.13 3.34 0.00 4.51 0.00 -0.42 -2.73 105.19 116.01 2bvb n GLY 33 Ca 0.36 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.45 2bvb n GLY 33 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bvb n SER 34 N 4.71 0.22 -0.73 1.61 7.64 -1.26 -4.76 113.62 121.05 2bvb n SER 34 Ca 0.00 -0.85 0.06 0.00 1.01 0.00 0.00 58.87 59.10 2bvb n SER 34 Cb 0.00 0.05 0.18 0.00 -1.01 0.00 0.00 64.21 63.43 2bvb n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bvb s HIS 36 N -1.29 -0.40 -0.01 0.00 5.65 -1.11 -4.70 115.29 113.42 2bvb s HIS 36 Ca 0.28 0.57 -0.00 0.00 0.25 0.00 0.00 55.06 56.16 2bvb s HIS 36 Cb 0.16 0.28 0.02 0.00 -1.18 0.00 0.00 32.58 31.86 2bvb s HIS 36 CO 0.16 -0.56 0.02 0.45 -0.65 0.00 0.00 174.74 174.16 2bvb s SER 37 N -1.57 0.02 -0.23 9.88 0.15 -1.26 -3.51 113.70 117.18 2bvb s SER 37 Ca -0.09 0.04 -0.05 0.00 0.70 0.00 0.00 55.95 56.55 2bvb s SER 37 Cb -0.02 -0.02 0.12 0.00 -1.71 0.00 0.00 66.02 64.40 2bvb s SER 37 CO 0.03 -0.07 0.44 -0.22 1.20 0.00 0.00 173.24 174.62 2bvb s LEU 38 N 0.56 -0.75 -0.30 3.45 0.20 -1.20 -1.20 118.68 119.42 2bvb s LEU 38 Ca -0.05 0.73 -0.04 0.00 0.69 0.00 0.00 54.13 55.47 2bvb s LEU 38 Cb -0.07 1.41 0.04 0.00 -0.43 0.00 0.00 46.19 47.14 2bvb s LEU 38 CO -0.02 -0.26 0.03 -0.69 -0.29 0.00 0.00 176.35 175.13 2bvb s VAL 39 N 2.63 3.34 -0.84 1.68 1.01 0.95 -2.11 120.40 127.06 2bvb s VAL 39 Ca 0.06 -1.16 -0.17 0.00 0.00 0.00 0.00 61.98 60.71 2bvb s VAL 39 Cb -0.14 -2.85 0.17 0.00 0.00 0.00 0.00 36.38 33.57 2bvb s VAL 39 CO -0.15 -0.06 0.91 0.00 0.00 0.00 0.00 175.10 175.80 2bvb s ALA 40 N 1.34 3.71 -0.80 5.51 0.00 -0.64 -1.39 121.76 129.49 2bvb s ALA 40 Ca -0.02 -2.97 -0.15 0.00 0.00 0.00 0.00 51.96 48.82 2bvb s ALA 40 Cb -0.19 -3.74 0.20 0.00 0.00 0.00 0.00 23.12 19.40 2bvb s ALA 40 CO 0.00 -2.58 0.75 -0.80 0.00 0.00 0.00 175.76 173.14 2bvb s ASN 41 N 2.94 6.69 0.21 0.00 0.02 -0.84 -0.90 114.94 123.06 2bvb s ASN 41 Ca 0.23 -2.55 0.26 0.00 -1.02 0.00 0.00 52.86 49.78 2bvb s ASN 41 Cb -0.10 -2.22 0.84 0.00 0.02 0.00 0.00 41.25 39.79 2bvb s ASN 41 CO -0.07 -0.63 1.77 0.49 0.02 0.00 0.00 177.10 178.67 2bvb n PHE 42 N 4.26 0.91 -0.22 2.20 3.72 -0.69 -1.87 117.46 125.76 2bvb n PHE 42 Ca 0.11 0.28 -0.04 0.00 -0.05 0.00 0.00 57.45 57.75 2bvb n PHE 42 Cb 0.46 -0.95 0.07 0.00 -0.94 0.00 0.00 39.48 38.12 2bvb n PHE 42 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2bvb h LEU 43 N 0.00 0.61 0.06 4.37 3.38 -1.15 -3.07 115.31 119.50 2bvb h LEU 43 Ca 0.00 0.01 -0.34 0.00 0.09 0.00 0.00 57.88 57.64 2bvb h LEU 43 Cb 0.69 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 2bvb h LEU 43 CO 0.00 0.42 -1.95 -0.67 0.09 0.00 0.00 178.44 176.33 2bvb n ASP 44 N -4.74 1.45 0.00 -0.43 -0.08 -1.22 -5.02 116.55 106.51 2bvb n ASP 44 Ca 0.07 0.25 0.00 0.00 -1.51 0.00 0.00 54.79 53.60 2bvb n ASP 44 Cb 0.11 -0.37 0.00 0.00 2.34 0.00 0.00 41.12 43.20 2bvb n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2bvb n GLY 45 N 1.82 0.73 3.57 0.27 0.00 -0.98 -5.02 105.19 105.57 2bvb n GLY 45 Ca -0.27 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 2bvb n GLY 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bvb s PHE 46 N -0.56 -0.64 -0.37 1.61 -0.71 -0.78 -1.96 117.98 114.57 2bvb s PHE 46 Ca 0.00 1.28 0.03 0.00 -1.04 0.00 0.00 56.93 57.20 2bvb s PHE 46 Cb 0.00 0.37 0.11 0.00 -1.21 0.00 0.00 43.02 42.29 2bvb s PHE 46 CO 0.00 -0.48 0.09 -1.17 -1.34 0.00 0.00 175.22 172.32 2bvb s LEU 47 N -0.64 4.32 -0.23 -1.99 0.20 -0.31 -1.99 118.68 118.03 2bvb s LEU 47 Ca -0.06 -2.24 -0.29 0.00 0.69 0.00 0.00 54.13 52.23 2bvb s LEU 47 Cb -0.02 -1.52 0.01 0.00 -0.43 0.00 0.00 46.19 44.23 2bvb s LEU 47 CO 0.05 -0.36 1.07 -0.75 -0.29 0.00 0.00 176.35 176.07 2bvb s LYS 48 N 0.79 4.23 -0.00 1.98 2.20 -0.49 -3.23 119.74 125.22 2bvb s LYS 48 Ca 0.12 1.36 0.01 0.00 -0.36 0.00 0.00 55.97 57.10 2bvb s LYS 48 Cb -0.20 -3.67 -0.00 0.00 -1.51 0.00 0.00 37.83 32.45 2bvb s LYS 48 CO -0.09 -0.67 -0.04 -0.59 -0.36 0.00 0.00 175.35 173.60 2bvb s PHE 49 N 3.29 0.37 -0.76 4.03 -0.71 -1.06 -0.03 117.98 123.10 2bvb s PHE 49 Ca 0.45 -0.08 -0.02 0.00 -1.04 0.00 0.00 56.93 56.24 2bvb s PHE 49 Cb -0.15 -0.23 0.19 0.00 -1.21 0.00 0.00 43.02 41.61 2bvb s PHE 49 CO 0.08 -0.01 0.61 -1.14 -1.34 0.00 0.00 175.22 173.42 2bvb s GLN 50 N -0.14 2.92 0.00 1.99 0.74 -0.34 -0.65 119.66 124.18 2bvb s GLN 50 Ca 0.01 -2.95 0.00 0.00 0.05 0.00 0.00 55.36 52.47 2bvb s GLN 50 Cb -0.02 -3.83 0.00 0.00 1.10 0.00 0.00 33.01 30.26 2bvb s GLN 50 CO -0.00 -1.23 0.00 0.25 -0.55 0.00 0.00 175.29 173.76 2bvb n THR 51 N 2.83 0.00 -2.20 -0.34 -2.24 -1.26 -4.35 114.28 106.72 2bvb n THR 51 Ca 0.15 0.30 -0.01 0.00 -2.27 0.00 0.00 64.05 62.22 2bvb n THR 51 Cb 0.37 -1.27 -0.02 0.00 -2.10 0.00 0.00 70.33 67.32 2bvb n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bvb n GLY 52 N 1.93 0.76 0.03 3.38 0.00 -1.26 -4.52 105.19 105.51 2bvb n GLY 52 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2bvb n GLY 52 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bvb n SER 53 N 0.20 0.04 -1.20 1.61 7.64 -1.26 -4.93 113.62 115.71 2bvb n SER 53 Ca -0.07 -1.10 0.00 0.00 1.01 0.00 0.00 58.87 58.71 2bvb n SER 53 Cb 0.86 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 2bvb n SER 53 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2bvb n ASN 54 N -0.45 -6.73 0.00 6.43 6.94 -1.26 -4.65 115.26 115.53 2bvb n ASN 54 Ca 0.00 0.93 0.00 0.00 -0.02 0.00 0.00 54.58 55.49 2bvb n ASN 54 Cb 0.01 -3.31 0.00 0.00 -2.36 0.00 0.00 39.78 34.12 2bvb n ASN 54 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2bvb n SER 55 N -0.78 0.00 -0.64 0.53 7.64 -1.26 -4.70 113.62 114.41 2bvb n SER 55 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2bvb n SER 55 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2bvb n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bvb n ALA 56 N 0.66 0.00 -0.88 -0.43 0.00 -1.26 -5.16 120.51 113.44 2bvb n ALA 56 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2bvb n ALA 56 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.71 2bvb n ALA 56 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2bvb s PHE 57 N -0.74 0.10 -0.04 0.00 -0.12 -1.26 -4.42 117.98 111.50 2bvb s PHE 57 Ca 0.00 0.50 -0.02 0.00 -0.05 0.00 0.00 56.93 57.36 2bvb s PHE 57 Cb 0.00 -3.30 0.03 0.00 -0.63 0.00 0.00 43.02 39.12 2bvb s PHE 57 CO 0.00 -4.24 0.05 0.34 -0.05 0.00 0.00 175.22 171.32 2bvb s ASP 58 N -3.70 1.10 -0.21 1.98 2.15 0.18 -4.93 116.67 113.24 2bvb s ASP 58 Ca 0.71 0.06 -0.23 0.00 0.43 0.00 0.00 52.55 53.52 2bvb s ASP 58 Cb -0.10 -0.16 -0.01 0.00 -0.30 0.00 0.00 42.92 42.34 2bvb s ASP 58 CO 0.57 -0.24 0.76 0.68 -0.17 0.00 0.00 175.17 176.77 2bvb s VAL 59 N 2.07 4.91 -0.21 1.11 -7.23 -1.26 -2.57 120.40 117.22 2bvb s VAL 59 Ca 0.04 1.45 0.00 0.00 -1.81 0.00 0.00 61.98 61.66 2bvb s VAL 59 Cb -0.12 -4.06 0.05 0.00 0.56 0.00 0.00 36.38 32.81 2bvb s VAL 59 CO -0.03 0.01 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.01 2bvb s VAL 60 N 2.39 1.46 0.28 1.32 1.01 -1.20 -4.96 120.40 120.70 2bvb s VAL 60 Ca 0.33 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 2bvb s VAL 60 Cb -0.16 -1.66 -0.13 0.00 0.00 0.00 0.00 36.38 34.43 2bvb s VAL 60 CO 0.10 0.01 1.25 -1.84 0.00 0.00 0.00 175.10 174.62 2bvb n GLU 61 N 4.72 1.84 -4.42 2.72 0.28 -1.26 -1.16 120.64 123.36 2bvb n GLU 61 Ca -0.13 0.65 -0.21 0.00 -0.16 0.00 0.00 57.16 57.31 2bvb n GLU 61 Cb 0.45 -2.20 -0.10 0.00 1.43 0.00 0.00 31.44 31.02 2bvb n GLU 61 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2bvb s VAL 62 N -0.66 1.93 1.21 3.84 1.01 -0.83 -4.82 120.40 122.07 2bvb s VAL 62 Ca 0.62 -2.23 -0.17 0.00 0.00 0.00 0.00 61.98 60.20 2bvb s VAL 62 Cb -0.65 -2.30 0.25 0.00 0.00 0.00 0.00 36.38 33.68 2bvb s VAL 62 CO 0.57 -0.42 0.60 -0.62 0.00 0.00 0.00 175.10 175.23 2bvb n GLU 63 N -0.54 -2.72 -3.47 2.72 -0.58 -1.26 -4.47 120.64 110.31 2bvb n GLU 63 Ca -0.06 -0.78 -0.43 0.00 -0.42 0.00 0.00 57.16 55.46 2bvb n GLU 63 Cb 0.62 -1.90 -0.06 0.00 -0.57 0.00 0.00 31.44 29.53 2bvb n GLU 63 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2bvb s GLU 64 N -4.12 3.02 1.16 3.49 2.02 -1.26 -4.84 118.70 118.18 2bvb s GLU 64 Ca 0.61 -2.22 -0.13 0.00 0.02 0.00 0.00 54.97 53.26 2bvb s GLU 64 Cb -0.17 -4.14 0.27 0.00 0.10 0.00 0.00 34.13 30.20 2bvb s GLU 64 CO 0.61 -1.25 0.98 -0.35 0.02 0.00 0.00 175.26 175.27 2bvb n PRO 65 N 4.25 -2.32 -3.28 0.39 -0.04 -1.26 -0.79 135.00 131.94 2bvb n PRO 65 Ca 0.04 -0.65 -0.25 0.00 -0.04 0.00 0.00 63.50 62.60 2bvb n PRO 65 Cb 0.42 -2.16 -0.08 0.00 -0.04 0.00 0.00 33.50 31.64 2bvb n PRO 65 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bvb n ALA 66 N -4.92 2.63 0.00 0.55 0.00 0.96 -4.34 120.51 115.39 2bvb n ALA 66 Ca 0.03 -3.26 0.00 0.00 0.00 0.00 0.00 53.44 50.21 2bvb n ALA 66 Cb 0.54 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.21 2bvb n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bvb n GLY 67 N 2.07 1.07 3.66 0.00 0.00 -1.26 -4.84 105.19 105.89 2bvb n GLY 67 Ca 0.25 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 2bvb n GLY 67 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2bvb n PRO 68 N 0.00 1.19 -3.46 1.61 -0.02 -1.26 -2.38 135.00 130.68 2bvb n PRO 68 Ca 0.00 0.45 -0.01 0.00 -2.02 0.00 0.00 63.50 61.92 2bvb n PRO 68 Cb 0.00 -2.29 -0.04 0.00 -0.02 0.00 0.00 33.50 31.15 2bvb n PRO 68 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bvb s ALA 69 N -1.41 -1.96 -0.30 3.55 0.00 0.43 -3.71 121.76 118.37 2bvb s ALA 69 Ca 0.74 1.99 -0.12 0.00 0.00 0.00 0.00 51.96 54.57 2bvb s ALA 69 Cb -0.43 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 2bvb s ALA 69 CO 0.48 -1.07 0.20 0.08 0.00 0.00 0.00 175.76 175.45 2bvb s VAL 70 N 2.83 5.26 -0.32 0.00 1.01 -0.88 -2.00 120.40 126.30 2bvb s VAL 70 Ca 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 2bvb s VAL 70 Cb -0.13 -3.58 0.06 0.00 0.00 0.00 0.00 36.38 32.73 2bvb s VAL 70 CO -0.19 0.16 0.04 -0.22 0.00 0.00 0.00 175.10 174.89 2bvb s LEU 71 N 1.74 4.20 -0.33 3.92 2.96 -0.41 -1.27 118.68 129.48 2bvb s LEU 71 Ca 0.07 -1.47 -0.00 0.00 -0.22 0.00 0.00 54.13 52.51 2bvb s LEU 71 Cb -0.16 -1.73 0.08 0.00 0.50 0.00 0.00 46.19 44.87 2bvb s LEU 71 CO 0.11 -0.32 0.05 -0.89 -1.32 0.00 0.00 176.35 173.97 2bvb s THR 72 N 1.21 2.81 -0.38 3.68 2.01 -0.90 -0.96 115.64 123.12 2bvb s THR 72 Ca -0.02 -1.79 -0.06 0.00 0.31 0.00 0.00 61.69 60.13 2bvb s THR 72 Cb -0.20 -2.79 0.07 0.00 0.01 0.00 0.00 72.50 69.58 2bvb s THR 72 CO -0.02 -0.35 0.17 -0.63 -0.69 0.00 0.00 174.62 173.10 2bvb s ILE 73 N 1.13 3.78 -0.26 1.82 1.01 -0.24 -0.69 121.20 127.75 2bvb s ILE 73 Ca 0.01 -1.44 -0.16 0.00 0.00 0.00 0.00 60.65 59.06 2bvb s ILE 73 Cb -0.20 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 2bvb s ILE 73 CO -0.04 -0.40 0.41 -0.83 0.00 0.00 0.00 174.94 174.08 2bvb s GLY 74 N 1.75 1.90 0.14 6.18 0.00 -1.10 -0.83 107.32 115.36 2bvb s GLY 74 Ca 0.02 -0.73 -0.04 0.00 0.00 0.00 0.00 44.72 43.97 2bvb s GLY 74 CO 0.01 1.02 0.36 1.08 0.00 0.00 0.00 173.10 175.57 2bvb s LEU 75 N 2.03 4.27 -0.20 0.66 2.01 0.48 -2.04 118.68 125.88 2bvb s LEU 75 Ca 0.17 0.53 0.08 0.00 0.01 0.00 0.00 54.13 54.91 2bvb s LEU 75 Cb -0.16 -3.26 0.24 0.00 0.01 0.00 0.00 46.19 43.03 2bvb s LEU 75 CO 0.09 0.05 1.13 0.61 1.01 0.00 0.00 176.35 179.25 2bvb n GLY 76 N -0.00 0.90 0.00 -3.19 0.00 -1.20 -1.71 105.19 99.99 2bvb n GLY 76 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2bvb n GLY 76 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2bvb n HIS 77 N -0.92 -0.09 -0.34 1.61 -0.00 -1.26 -4.77 115.22 109.45 2bvb n HIS 77 Ca -0.12 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.71 2bvb n HIS 77 Cb 0.73 0.00 0.31 0.00 -0.00 0.00 0.00 29.99 31.03 2bvb n HIS 77 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.34 177.91 2bvb h LYS 78 N 0.00 0.79 0.00 1.57 2.10 -1.89 -3.37 116.57 115.77 2bvb h LYS 78 Ca 0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2bvb h LYS 78 Cb 0.00 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 31.15 2bvb h LYS 78 CO 0.00 0.53 0.00 0.41 -2.00 0.00 0.00 179.45 178.39 2bvb n GLY 79 N -1.37 0.99 3.71 0.07 0.00 -1.25 -3.36 105.19 103.98 2bvb n GLY 79 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2bvb n GLY 79 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2bvb s ARG 80 N 0.00 4.16 0.09 1.61 3.52 0.66 -3.17 118.95 125.82 2bvb s ARG 80 Ca 0.00 2.51 0.05 0.00 -0.13 0.00 0.00 55.73 58.16 2bvb s ARG 80 Cb 0.00 -3.26 -0.03 0.00 -1.56 0.00 0.00 34.95 30.10 2bvb s ARG 80 CO 0.00 -0.73 -0.14 -0.48 -0.81 0.00 0.00 175.30 173.14 2bvb s LEU 81 N 1.65 2.33 -0.54 -0.88 0.05 -0.46 -3.24 118.68 117.59 2bvb s LEU 81 Ca 0.75 -0.70 0.04 0.00 0.05 0.00 0.00 54.13 54.27 2bvb s LEU 81 Cb -0.46 -0.53 0.17 0.00 -2.05 0.00 0.00 46.19 43.31 2bvb s LEU 81 CO 0.33 -0.11 0.40 0.00 -0.55 0.00 0.00 176.35 176.42 2bvb s ALA 82 N -1.65 2.52 -0.81 1.48 0.00 -0.87 -2.63 121.76 119.81 2bvb s ALA 82 Ca 0.03 -3.07 -0.25 0.00 0.00 0.00 0.00 51.96 48.67 2bvb s ALA 82 Cb -0.08 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.17 2bvb s ALA 82 CO 0.02 -2.04 1.64 0.08 0.00 0.00 0.00 175.76 175.47 2bvb s VAL 83 N -0.57 3.60 -0.46 0.00 1.01 -0.27 -2.73 120.40 120.98 2bvb s VAL 83 Ca 0.28 -0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.10 2bvb s VAL 83 Cb -0.03 -4.46 0.12 0.00 0.00 0.00 0.00 36.38 32.01 2bvb s VAL 83 CO -0.16 -1.40 0.29 -0.69 0.00 0.00 0.00 175.10 173.14 2bvb s VAL 84 N 7.52 3.76 -0.15 2.92 1.01 0.13 -0.94 120.40 134.65 2bvb s VAL 84 Ca 0.55 -2.02 -0.01 0.00 0.00 0.00 0.00 61.98 60.50 2bvb s VAL 84 Cb -0.07 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 2bvb s VAL 84 CO 0.07 -0.75 -0.12 -1.48 0.00 0.00 0.00 175.10 172.83 2bvb s LEU 85 N 1.13 2.71 -0.17 3.92 2.34 -0.50 -2.12 118.68 125.99 2bvb s LEU 85 Ca 0.08 -0.36 0.01 0.00 0.06 0.00 0.00 54.13 53.92 2bvb s LEU 85 Cb -0.24 -1.63 0.02 0.00 -0.56 0.00 0.00 46.19 43.78 2bvb s LEU 85 CO -0.03 0.11 -0.19 -0.62 -1.06 0.00 0.00 176.35 174.56 2bvb s ASP 86 N 0.67 3.21 0.18 1.48 2.15 -0.40 -0.96 116.67 123.01 2bvb s ASP 86 Ca -0.06 -0.62 -0.06 0.00 0.43 0.00 0.00 52.55 52.24 2bvb s ASP 86 Cb -0.15 -1.49 -0.02 0.00 -0.30 0.00 0.00 42.92 40.95 2bvb s ASP 86 CO 0.02 0.02 0.24 -0.72 -0.17 0.00 0.00 175.17 174.55 2bvb s TYR 87 N 1.20 0.69 0.11 -5.34 -0.85 -0.51 -2.07 117.35 110.59 2bvb s TYR 87 Ca 0.03 -1.02 -0.23 0.00 -0.52 0.00 0.00 57.07 55.33 2bvb s TYR 87 Cb -0.14 -0.23 -0.07 0.00 0.38 0.00 0.00 41.96 41.90 2bvb s TYR 87 CO -0.10 -0.71 0.70 0.99 -1.52 0.00 0.00 175.55 174.91 2bvb s THR 88 N -4.05 4.55 0.36 -3.49 2.01 -1.24 -0.54 115.64 113.25 2bvb s THR 88 Ca 0.26 1.53 0.08 0.00 0.31 0.00 0.00 61.69 63.86 2bvb s THR 88 Cb 0.04 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 2bvb s THR 88 CO 0.06 0.51 0.27 -0.13 -0.69 0.00 0.00 174.62 174.63 2bvb s ARG 89 N -0.94 2.54 0.15 4.92 0.52 -0.65 -0.03 118.95 125.48 2bvb s ARG 89 Ca 0.34 -1.47 0.21 0.00 -0.52 0.00 0.00 55.73 54.29 2bvb s ARG 89 Cb -0.21 -2.33 0.86 0.00 0.52 0.00 0.00 34.95 33.78 2bvb s ARG 89 CO 0.23 0.00 1.64 1.28 0.02 0.00 0.00 175.30 178.48 2bvb n LEU 90 N -1.35 0.42 -0.27 2.53 4.77 0.03 -2.10 117.00 121.02 2bvb n LEU 90 Ca -0.01 0.59 0.02 0.00 -0.03 0.00 0.00 56.01 56.59 2bvb n LEU 90 Cb 0.61 -0.53 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 2bvb n LEU 90 CO 0.43 -0.40 0.52 0.59 -1.33 0.00 0.00 177.39 177.20 2bvb n ASN 91 N -1.95 0.74 -1.86 -1.43 4.13 -1.26 -4.85 115.26 108.77 2bvb n ASN 91 Ca 0.03 -2.02 -0.20 0.00 1.68 0.00 0.00 54.58 54.08 2bvb n ASN 91 Cb 0.23 -0.13 -0.05 0.00 -1.54 0.00 0.00 39.78 38.29 2bvb n ASN 91 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2bvb n ALA 92 N -0.14 -0.43 -2.32 5.41 0.00 -0.89 -4.97 120.51 117.16 2bvb n ALA 92 Ca 0.04 0.24 -0.17 0.00 0.00 0.00 0.00 53.44 53.55 2bvb n ALA 92 Cb 0.13 -2.03 -0.10 0.00 0.00 0.00 0.00 19.45 17.45 2bvb n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bvb s ALA 93 N -2.85 1.81 0.11 0.00 0.00 -1.26 -4.97 121.76 114.60 2bvb s ALA 93 Ca 0.00 -1.67 -0.27 0.00 0.00 0.00 0.00 51.96 50.01 2bvb s ALA 93 Cb 0.00 0.19 -0.06 0.00 0.00 0.00 0.00 23.12 23.24 2bvb s ALA 93 CO 0.00 -0.11 0.86 -0.51 0.00 0.00 0.00 175.76 176.00 2bvb s LEU 94 N -3.28 4.51 -0.30 0.00 1.43 -1.26 -1.63 118.68 118.15 2bvb s LEU 94 Ca 0.23 1.67 0.02 0.00 -1.03 0.00 0.00 54.13 55.03 2bvb s LEU 94 Cb 0.03 -3.42 0.07 0.00 0.03 0.00 0.00 46.19 42.91 2bvb s LEU 94 CO 0.06 0.03 -0.03 -0.83 0.23 0.00 0.00 176.35 175.81 2bvb s GLY 95 N -0.34 1.78 -0.47 -3.19 0.00 0.30 -4.93 107.32 100.46 2bvb s GLY 95 Ca 0.41 -2.05 -0.06 0.00 0.00 0.00 0.00 44.72 43.03 2bvb s GLY 95 CO 0.27 0.74 0.30 -0.45 0.00 0.00 0.00 173.10 173.97 2bvb s SER 96 N 1.09 5.47 0.13 1.64 0.15 -1.26 -1.42 113.70 119.50 2bvb s SER 96 Ca -0.01 -2.10 -0.04 0.00 0.70 0.00 0.00 55.95 54.50 2bvb s SER 96 Cb -0.20 -1.91 -0.05 0.00 -1.71 0.00 0.00 66.02 62.15 2bvb s SER 96 CO -0.05 -0.59 0.35 0.00 1.20 0.00 0.00 173.24 174.14 2bvb s ALA 97 N 1.07 3.84 0.01 5.45 0.00 -0.14 -4.96 121.76 127.03 2bvb s ALA 97 Ca 0.08 -0.63 -0.00 0.00 0.00 0.00 0.00 51.96 51.41 2bvb s ALA 97 Cb -0.24 -2.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.81 2bvb s ALA 97 CO -0.03 0.69 -0.02 0.00 0.00 0.00 0.00 175.76 176.40 2bvb s ALA 98 N -1.64 0.07 -0.03 0.00 0.00 -1.25 -1.41 121.76 117.50 2bvb s ALA 98 Ca 0.40 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.97 2bvb s ALA 98 Cb -0.12 0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.13 2bvb s ALA 98 CO 0.26 -0.11 0.04 0.71 0.00 0.00 0.00 175.76 176.66 2bvb s TYR 99 N -0.98 0.02 -0.31 0.00 2.02 -0.12 -4.97 117.35 113.02 2bvb s TYR 99 Ca -0.11 0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.79 2bvb s TYR 99 Cb -0.07 -0.27 0.09 0.00 -0.40 0.00 0.00 41.96 41.32 2bvb s TYR 99 CO -0.01 -0.11 0.05 0.08 -1.57 0.00 0.00 175.55 173.99 2bvb s VAL 100 N 1.28 1.56 -0.18 0.71 1.01 -1.26 -1.12 120.40 122.39 2bvb s VAL 100 Ca -0.07 -1.74 -0.00 0.00 0.00 0.00 0.00 61.98 60.17 2bvb s VAL 100 Cb -0.13 -2.09 0.05 0.00 0.00 0.00 0.00 36.38 34.20 2bvb s VAL 100 CO -0.03 -0.53 -0.05 -0.69 0.00 0.00 0.00 175.10 173.79 2bvb s VAL 101 N 1.29 1.18 0.00 2.92 1.01 -1.08 -5.01 120.40 120.72 2bvb s VAL 101 Ca 0.07 -0.76 -0.25 0.00 0.00 0.00 0.00 61.98 61.04 2bvb s VAL 101 Cb -0.18 -1.39 -0.16 0.00 0.00 0.00 0.00 36.38 34.64 2bvb s VAL 101 CO -0.15 0.06 1.17 -0.33 0.00 0.00 0.00 175.10 175.86 2bvb h GLU 102 N 8.09 -0.46 -4.95 2.72 5.08 -1.85 -1.22 114.58 121.99 2bvb h GLU 102 Ca -0.23 0.03 -0.70 0.00 -1.00 0.00 0.00 59.36 57.47 2bvb h GLU 102 Cb 1.10 0.10 -0.18 0.00 0.50 0.00 0.00 28.75 30.28 2bvb h GLU 102 CO 0.40 -0.14 0.77 -0.51 -1.00 0.00 0.00 179.01 178.53 2bvb s ASP 103 N -5.02 6.62 0.00 1.42 1.11 -1.26 -0.25 116.67 119.29 2bvb s ASP 103 Ca -0.14 -2.05 0.00 0.00 0.18 0.00 0.00 52.55 50.54 2bvb s ASP 103 Cb 0.02 -2.39 0.00 0.00 1.07 0.00 0.00 42.92 41.62 2bvb s ASP 103 CO 0.51 -1.04 0.00 -1.20 1.18 0.00 0.00 175.17 174.62 2bvb n SER 104 N 6.41 0.00 0.00 0.27 7.64 -1.19 -4.10 113.62 122.64 2bvb n SER 104 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2bvb n SER 104 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 2bvb n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bvb n GLY 105 N 3.60 4.73 0.00 0.23 0.00 -1.25 -4.70 105.19 107.80 2bvb n GLY 105 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2bvb n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bvb n SER 107 N 0.00 0.00 -0.17 0.00 3.41 -1.21 -3.97 113.62 111.67 2bvb n SER 107 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 2bvb n SER 107 Cb 0.00 0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 2bvb n SER 107 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2bvb h SER 108 N 0.00 -1.41 -3.63 4.04 0.02 -1.85 -3.18 113.55 107.54 2bvb h SER 108 Ca 0.00 0.23 -0.61 0.00 -0.84 0.00 0.00 61.79 60.57 2bvb h SER 108 Cb 0.00 0.64 -0.38 0.00 0.14 0.00 0.00 62.40 62.80 2bvb h SER 108 CO 0.00 -0.34 -0.79 -0.44 -1.14 0.00 0.00 176.83 174.12 2bvb s SER 109 N -5.11 3.83 -0.30 3.07 0.01 -1.24 -3.82 113.70 110.15 2bvb s SER 109 Ca -0.14 -1.16 0.01 0.00 1.31 0.00 0.00 55.95 55.97 2bvb s SER 109 Cb 0.13 -1.19 0.19 0.00 0.21 0.00 0.00 66.02 65.36 2bvb s SER 109 CO 0.66 -0.23 0.63 -0.70 0.41 0.00 0.00 173.24 174.01 2bvb s GLU 110 N 1.39 0.54 -0.77 12.44 2.56 -1.18 -4.95 118.70 128.72 2bvb s GLU 110 Ca -0.06 0.76 -0.24 0.00 0.00 0.00 0.00 54.97 55.43 2bvb s GLU 110 Cb -0.19 0.40 0.06 0.00 2.00 0.00 0.00 34.13 36.39 2bvb s GLU 110 CO -0.06 -0.78 1.19 -1.83 -0.56 0.00 0.00 175.26 173.22 2bvb s GLU 111 N 2.85 3.26 0.13 4.30 -1.05 -1.26 -0.22 118.70 126.72 2bvb s GLU 111 Ca 0.16 -0.71 -0.30 0.00 -0.15 0.00 0.00 54.97 53.96 2bvb s GLU 111 Cb -0.12 -4.44 -0.06 0.00 -0.44 0.00 0.00 34.13 29.06 2bvb s GLU 111 CO -0.23 -2.01 0.96 0.08 0.95 0.00 0.00 175.26 175.01 2bvb s VAL 112 N 4.78 4.43 -0.18 1.83 1.01 -1.08 -1.31 120.40 129.87 2bvb s VAL 112 Ca 0.32 2.06 -0.02 0.00 0.00 0.00 0.00 61.98 64.34 2bvb s VAL 112 Cb -0.09 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 2bvb s VAL 112 CO 0.07 0.34 -0.08 -0.44 0.00 0.00 0.00 175.10 174.99 2bvb s SER 113 N -0.13 4.18 -0.36 3.32 0.01 -0.56 -1.79 113.70 118.36 2bvb s SER 113 Ca 0.46 -0.37 -0.03 0.00 1.31 0.00 0.00 55.95 57.33 2bvb s SER 113 Cb -0.24 -1.69 0.08 0.00 0.21 0.00 0.00 66.02 64.38 2bvb s SER 113 CO 0.30 0.05 0.11 -0.36 0.41 0.00 0.00 173.24 173.76 2bvb s PHE 114 N 1.03 3.43 -0.07 2.43 0.08 -0.63 -0.80 117.98 123.45 2bvb s PHE 114 Ca -0.00 -2.11 0.00 0.00 0.12 0.00 0.00 56.93 54.94 2bvb s PHE 114 Cb -0.15 -2.68 -0.03 0.00 -0.57 0.00 0.00 43.02 39.60 2bvb s PHE 114 CO -0.01 -0.88 -0.06 -1.14 -0.10 0.00 0.00 175.22 173.03 2bvb s GLN 115 N 1.21 2.80 0.00 0.44 0.74 -0.58 -0.62 119.66 123.64 2bvb s GLN 115 Ca 0.02 -0.53 0.00 0.00 0.05 0.00 0.00 55.36 54.90 2bvb s GLN 115 Cb -0.21 -2.62 0.00 0.00 1.10 0.00 0.00 33.01 31.28 2bvb s GLN 115 CO -0.02 0.66 0.00 0.41 -0.55 0.00 0.00 175.29 175.79 2bvb n GLY 116 N 2.24 0.68 0.09 2.59 0.00 -0.71 -0.64 105.19 109.45 2bvb n GLY 116 Ca -0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.96 2bvb n GLY 116 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2bvb n VAL 117 N -1.20 0.73 -4.93 1.61 0.24 -1.16 -4.77 118.33 108.86 2bvb n VAL 117 Ca 0.00 0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 2bvb n VAL 117 Cb 0.00 -0.94 0.00 0.00 -1.47 0.00 0.00 33.84 31.43 2bvb n VAL 117 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bvb n GLY 118 N 0.44 0.03 3.28 7.63 0.00 -1.23 -3.99 105.19 111.35 2bvb n GLY 118 Ca 0.04 -0.93 -0.45 0.00 0.00 0.00 0.00 46.02 44.68 2bvb n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bvb s SER 119 N -4.00 6.40 0.00 1.61 0.15 -1.26 -4.27 113.70 112.33 2bvb s SER 119 Ca 0.00 -2.57 0.00 0.00 0.70 0.00 0.00 55.95 54.08 2bvb s SER 119 Cb 0.00 -2.14 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 2bvb s SER 119 CO 0.00 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.47 2bvb n GLY 120 N 4.10 -0.01 3.90 9.45 0.00 -1.26 -5.05 105.19 116.31 2bvb n GLY 120 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2bvb n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bvb s ALA 121 N 0.00 3.94 -0.00 4.61 0.00 -1.26 -4.95 121.76 124.10 2bvb s ALA 121 Ca 0.00 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.19 2bvb s ALA 121 Cb 0.00 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 2bvb s ALA 121 CO 0.00 0.78 -0.12 0.95 0.00 0.00 0.00 175.76 177.37 2bvb s THR 122 N -1.40 3.25 -0.39 0.00 -4.23 -1.19 -4.74 115.64 106.93 2bvb s THR 122 Ca 0.31 -0.88 -0.00 0.00 -1.18 0.00 0.00 61.69 59.94 2bvb s THR 122 Cb -0.13 -2.37 0.11 0.00 1.34 0.00 0.00 72.50 71.45 2bvb s THR 122 CO 0.23 0.43 0.16 -0.22 -0.54 0.00 0.00 174.62 174.68 2bvb s LEU 123 N -1.24 5.06 -0.61 4.79 2.96 -1.26 -2.60 118.68 125.78 2bvb s LEU 123 Ca 0.15 -2.13 -0.23 0.00 -0.22 0.00 0.00 54.13 51.70 2bvb s LEU 123 Cb -0.11 -1.75 0.06 0.00 0.50 0.00 0.00 46.19 44.88 2bvb s LEU 123 CO 0.05 -0.47 0.94 -0.69 -1.32 0.00 0.00 176.35 174.86 2bvb s VAL 124 N 0.98 4.37 -0.37 1.68 1.01 -0.66 -4.04 120.40 123.36 2bvb s VAL 124 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2bvb s VAL 124 Cb -0.21 -4.61 0.10 0.00 0.00 0.00 0.00 36.38 31.66 2bvb s VAL 124 CO -0.05 -1.29 0.12 0.54 0.00 0.00 0.00 175.10 174.42 2bvb s VAL 125 N 3.97 2.84 -0.00 2.92 0.11 -1.26 -1.45 120.40 127.54 2bvb s VAL 125 Ca 0.25 -2.13 0.02 0.00 -2.93 0.00 0.00 61.98 57.20 2bvb s VAL 125 Cb -0.15 -2.98 -0.01 0.00 -1.53 0.00 0.00 36.38 31.71 2bvb s VAL 125 CO 0.14 -0.61 -0.07 0.42 -3.33 0.00 0.00 175.10 171.65 2bvb s THR 126 N 1.05 0.57 -1.21 5.04 -4.23 -1.18 -4.35 115.64 111.32 2bvb s THR 126 Ca 0.08 -0.36 -0.17 0.00 -1.18 0.00 0.00 61.69 60.06 2bvb s THR 126 Cb -0.21 -0.49 0.11 0.00 1.34 0.00 0.00 72.50 73.26 2bvb s THR 126 CO -0.06 0.12 1.54 -0.89 -0.54 0.00 0.00 174.62 174.80 2bvb s THR 127 N -0.26 4.53 0.00 3.99 2.01 0.11 -1.45 115.64 124.57 2bvb s THR 127 Ca 0.02 -2.09 0.00 0.00 0.31 0.00 0.00 61.69 59.93 2bvb s THR 127 Cb -0.03 -5.04 0.00 0.00 0.01 0.00 0.00 72.50 67.44 2bvb s THR 127 CO -0.00 -1.81 0.00 -0.11 -0.69 0.00 0.00 174.62 172.00 2bvb n LEU 128 N 7.16 0.00 -0.04 4.42 7.94 -0.04 -1.61 117.00 134.83 2bvb n LEU 128 Ca 0.41 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 55.26 2bvb n LEU 128 Cb 0.45 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.35 2bvb n LEU 128 CO 0.68 0.00 -0.77 0.61 -1.11 0.00 0.00 177.39 176.80 2bvb n GLY 129 N 0.00 -0.26 3.94 -3.96 0.00 -1.26 -5.05 105.19 98.60 2bvb n GLY 129 Ca 0.00 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 2bvb n GLY 129 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2bvb s GLU 130 N -2.18 2.81 -0.32 1.61 -1.05 -0.63 -5.08 118.70 113.86 2bvb s GLU 130 Ca -0.08 -0.27 -0.07 0.00 -0.15 0.00 0.00 54.97 54.40 2bvb s GLU 130 Cb 0.03 -2.36 0.02 0.00 -0.44 0.00 0.00 34.13 31.38 2bvb s GLU 130 CO 0.26 -0.66 0.10 -1.12 0.95 0.00 0.00 175.26 174.79 2bvb s SER 131 N -4.33 5.24 -1.18 0.83 0.01 -1.26 -0.71 113.70 112.30 2bvb s SER 131 Ca 0.54 -0.92 -0.19 0.00 1.31 0.00 0.00 55.95 56.68 2bvb s SER 131 Cb -0.10 -1.88 0.08 0.00 0.21 0.00 0.00 66.02 64.33 2bvb s SER 131 CO 0.42 -0.26 1.57 -2.16 0.41 0.00 0.00 173.24 173.22 2bvb s PRO 132 N 1.46 3.86 -0.90 12.44 0.04 -1.26 -4.93 135.00 145.71 2bvb s PRO 132 Ca 0.01 -1.82 -0.25 0.00 0.04 0.00 0.00 61.00 58.98 2bvb s PRO 132 Cb -0.18 -5.37 -0.12 0.00 0.04 0.00 0.00 34.50 28.86 2bvb s PRO 132 CO 0.03 -2.14 2.19 0.99 0.04 0.00 0.00 177.00 178.11 2bvb s THR 133 N 3.95 3.18 0.00 1.26 2.01 -1.26 -3.14 115.64 121.64 2bvb s THR 133 Ca 0.49 -0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.29 2bvb s THR 133 Cb 0.01 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 68.94 2bvb s THR 133 CO 0.00 -0.36 0.00 0.00 -0.69 0.00 0.00 174.62 173.57 2bvb n ALA 134 N 17.22 0.00 -2.76 7.40 0.00 -1.26 -3.78 120.51 137.32 2bvb n ALA 134 Ca 0.44 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.70 2bvb n ALA 134 Cb 0.45 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 19.23 2bvb n ALA 134 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2bvb n VAL 135 N -2.00 0.00 -0.10 0.00 0.24 -1.19 -3.79 118.33 111.50 2bvb n VAL 135 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2bvb n VAL 135 Cb 0.00 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.16 2bvb n VAL 135 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2bvb n SER 136 N -0.87 0.00 -0.31 -1.34 3.41 -1.25 -5.01 113.62 108.25 2bvb n SER 136 Ca 0.05 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.70 2bvb n SER 136 Cb 0.24 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.22 2bvb n SER 136 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88