#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bjo h LEU 3 N 0.00 0.74 -7.05 0.00 4.07 -2.14 -3.48 115.31 107.46 2bjo h LEU 3 Ca 0.00 -0.58 0.26 0.00 0.08 0.00 0.00 57.88 57.63 2bjo h LEU 3 Cb 0.00 -0.23 -0.17 0.00 1.08 0.00 0.00 40.66 41.34 2bjo h LEU 3 CO 0.00 1.38 0.79 0.72 -1.08 0.00 0.00 178.44 180.25 2bjo s PHE 4 N -3.33 -0.13 -0.13 1.13 -0.12 -1.26 -5.16 117.98 108.99 2bjo s PHE 4 Ca -0.08 0.06 -0.00 0.00 -0.05 0.00 0.00 56.93 56.86 2bjo s PHE 4 Cb 0.08 0.52 0.02 0.00 -0.63 0.00 0.00 43.02 43.02 2bjo s PHE 4 CO 0.90 -0.25 -0.11 0.99 -0.05 0.00 0.00 175.22 176.70 2bjo s THR 5 N -2.48 1.30 -0.05 -4.49 2.01 -1.26 -5.13 115.64 105.54 2bjo s THR 5 Ca 0.10 -0.48 -0.19 0.00 0.31 0.00 0.00 61.69 61.43 2bjo s THR 5 Cb -0.00 -1.27 -0.05 0.00 0.01 0.00 0.00 72.50 71.19 2bjo s THR 5 CO -0.05 0.40 0.53 0.00 -0.69 0.00 0.00 174.62 174.81 2bjo s ALA 6 N 1.59 3.50 -0.09 7.40 0.00 -1.26 -5.09 121.76 127.81 2bjo s ALA 6 Ca 0.05 -0.08 0.03 0.00 0.00 0.00 0.00 51.96 51.96 2bjo s ALA 6 Cb -0.13 -2.68 -0.01 0.00 0.00 0.00 0.00 23.12 20.31 2bjo s ALA 6 CO -0.09 0.13 -0.20 0.15 0.00 0.00 0.00 175.76 175.74 2bjo s LYS 7 N 0.07 2.92 -0.01 0.00 1.02 -1.26 -5.09 119.74 117.39 2bjo s LYS 7 Ca 0.29 -0.81 -0.00 0.00 0.02 0.00 0.00 55.97 55.46 2bjo s LYS 7 Cb -0.17 -2.36 0.01 0.00 -0.52 0.00 0.00 37.83 34.80 2bjo s LYS 7 CO 0.14 0.30 0.03 0.08 -0.92 0.00 0.00 175.35 174.98 2bjo s VAL 8 N 0.06 -0.02 -0.17 3.17 1.01 -1.26 -1.06 120.40 122.12 2bjo s VAL 8 Ca -0.08 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 2bjo s VAL 8 Cb -0.15 -0.06 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 2bjo s VAL 8 CO 0.05 0.04 -0.01 -0.89 0.00 0.00 0.00 175.10 174.29 2bjo s THR 9 N 0.45 4.15 -0.15 3.92 2.01 -0.85 -4.97 115.64 120.20 2bjo s THR 9 Ca -0.04 -0.26 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 2bjo s THR 9 Cb -0.05 -2.84 -0.01 0.00 0.01 0.00 0.00 72.50 69.60 2bjo s THR 9 CO -0.01 0.48 -0.11 0.00 -0.69 0.00 0.00 174.62 174.29 2bjo s ALA 10 N 0.40 2.70 -0.09 7.40 0.00 -1.26 -1.82 121.76 129.09 2bjo s ALA 10 Ca -0.02 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 2bjo s ALA 10 Cb -0.14 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 2bjo s ALA 10 CO 0.02 0.12 -0.05 1.03 0.00 0.00 0.00 175.76 176.89 2bjo s ARG 11 N 0.55 3.00 -0.54 0.00 0.52 0.17 -4.88 118.95 117.77 2bjo s ARG 11 Ca -0.07 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 54.63 2bjo s ARG 11 Cb -0.15 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 32.61 2bjo s ARG 11 CO 0.03 0.59 0.00 0.41 0.02 0.00 0.00 175.30 176.35 2bjo n GLY 12 N 2.47 0.47 7.00 -3.53 0.00 -1.26 -0.69 105.19 109.65 2bjo n GLY 12 Ca -0.18 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2bjo n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bjo n GLY 13 N -1.65 1.05 0.08 -0.02 0.00 -1.26 -3.45 105.19 99.94 2bjo n GLY 13 Ca -0.06 -0.74 0.13 0.00 0.00 0.00 0.00 46.02 45.35 2bjo n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bjo n ARG 14 N 12.52 0.18 -0.79 1.61 5.12 -1.26 -2.76 116.66 131.27 2bjo n ARG 14 Ca 0.00 0.17 -0.01 0.00 -1.93 0.00 0.00 57.85 56.08 2bjo n ARG 14 Cb 0.00 -1.72 0.19 0.00 -1.16 0.00 0.00 32.46 29.77 2bjo n ARG 14 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2bjo n ALA 15 N -1.70 4.11 -1.66 7.54 0.00 -1.25 -4.20 120.51 123.35 2bjo n ALA 15 Ca 0.06 -3.27 0.00 0.00 0.00 0.00 0.00 53.44 50.23 2bjo n ALA 15 Cb 0.39 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.28 2bjo n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bjo n GLY 16 N -1.10 1.56 3.26 0.00 0.00 -1.11 -4.71 105.19 103.08 2bjo n GLY 16 Ca 0.28 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 2bjo n GLY 16 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2bjo s HIS 17 N 2.49 -0.27 -0.08 1.61 2.46 0.13 -0.89 115.29 120.75 2bjo s HIS 17 Ca 0.00 0.52 0.04 0.00 0.47 0.00 0.00 55.06 56.09 2bjo s HIS 17 Cb 0.00 0.12 -0.01 0.00 -0.13 0.00 0.00 32.58 32.56 2bjo s HIS 17 CO 0.00 -0.34 -0.20 0.96 -2.47 0.00 0.00 174.74 172.69 2bjo s ILE 18 N -0.86 2.46 -0.08 0.89 -4.36 0.11 -0.66 121.20 118.70 2bjo s ILE 18 Ca -0.09 -0.91 -0.00 0.00 -0.26 0.00 0.00 60.65 59.38 2bjo s ILE 18 Cb -0.04 -1.94 0.02 0.00 1.25 0.00 0.00 42.46 41.75 2bjo s ILE 18 CO 0.03 0.56 -0.04 -0.89 0.24 0.00 0.00 174.94 174.85 2bjo s THR 19 N -0.12 0.67 0.69 8.37 2.01 -0.76 -0.99 115.64 125.52 2bjo s THR 19 Ca -0.04 -0.09 -0.14 0.00 0.31 0.00 0.00 61.69 61.72 2bjo s THR 19 Cb -0.14 -0.74 0.02 0.00 0.01 0.00 0.00 72.50 71.64 2bjo s THR 19 CO 0.04 0.30 1.12 -0.94 -0.69 0.00 0.00 174.62 174.45 2bjo s SER 20 N 1.63 4.85 0.28 3.53 1.04 0.24 -2.00 113.70 123.27 2bjo s SER 20 Ca 0.01 2.04 0.03 0.00 0.48 0.00 0.00 55.95 58.51 2bjo s SER 20 Cb -0.13 -2.55 0.67 0.00 0.10 0.00 0.00 66.02 64.10 2bjo s SER 20 CO -0.05 -1.81 1.73 -2.24 0.98 0.00 0.00 173.24 171.86 2bjo h ASP 21 N -0.18 0.49 -0.04 7.02 2.03 -1.45 -2.05 116.42 122.24 2bjo h ASP 21 Ca -0.46 0.12 0.00 0.00 -0.73 0.00 0.00 57.03 55.96 2bjo h ASP 21 Cb 1.25 0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.81 2bjo h ASP 21 CO 0.53 0.13 0.00 -0.90 -1.03 0.00 0.00 179.24 177.96 2bjo n ASP 22 N -4.93 1.37 0.00 4.15 5.68 -1.26 -4.95 116.55 116.60 2bjo n ASP 22 Ca 0.21 -1.49 0.00 0.00 -0.50 0.00 0.00 54.79 53.01 2bjo n ASP 22 Cb 0.57 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 2bjo n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bjo n GLY 23 N 1.14 1.53 0.23 6.12 0.00 -0.77 -4.89 105.19 108.56 2bjo n GLY 23 Ca 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 2bjo n GLY 23 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2bjo h VAL 24 N 0.00 1.11 -3.69 1.61 2.07 -1.93 -3.38 116.25 112.04 2bjo h VAL 24 Ca 0.00 -0.25 -0.62 0.00 0.82 0.00 0.00 66.70 66.64 2bjo h VAL 24 Cb 0.00 0.31 -0.15 0.00 -1.52 0.00 0.00 31.29 29.94 2bjo h VAL 24 CO 0.00 0.13 -0.40 -0.76 0.02 0.00 0.00 177.57 176.57 2bjo s LEU 25 N -10.17 4.08 -0.34 2.57 1.43 -1.26 -4.98 118.68 110.00 2bjo s LEU 25 Ca -0.13 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.19 2bjo s LEU 25 Cb 0.13 -2.25 0.16 0.00 0.03 0.00 0.00 46.19 44.26 2bjo s LEU 25 CO 0.75 -0.05 0.42 -0.62 0.23 0.00 0.00 176.35 177.08 2bjo s ASP 26 N 1.39 0.56 -0.03 2.29 3.68 -1.25 -0.60 116.67 122.71 2bjo s ASP 26 Ca 0.11 -1.00 -0.12 0.00 2.13 0.00 0.00 52.55 53.67 2bjo s ASP 26 Cb -0.15 0.94 0.02 0.00 -1.45 0.00 0.00 42.92 42.28 2bjo s ASP 26 CO 0.08 -0.29 0.27 -0.36 0.13 0.00 0.00 175.17 175.00 2bjo s PHE 27 N 1.94 -0.16 0.64 -5.34 0.40 -0.16 -4.99 117.98 110.30 2bjo s PHE 27 Ca 0.14 0.30 -0.16 0.00 -0.60 0.00 0.00 56.93 56.60 2bjo s PHE 27 Cb -0.13 0.07 -0.01 0.00 0.51 0.00 0.00 43.02 43.46 2bjo s PHE 27 CO -0.15 -0.31 1.14 -0.51 0.70 0.00 0.00 175.22 176.08 2bjo s ASP 28 N -1.00 5.12 -0.24 1.36 1.01 -1.26 0.09 116.67 121.74 2bjo s ASP 28 Ca -0.11 2.12 -0.10 0.00 0.71 0.00 0.00 52.55 55.18 2bjo s ASP 28 Cb -0.05 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 2bjo s ASP 28 CO 0.03 -1.63 0.14 -0.63 0.21 0.00 0.00 175.17 173.29 2bjo s ILE 29 N -2.10 5.14 0.21 0.77 -1.09 -0.07 -1.14 121.20 122.93 2bjo s ILE 29 Ca 0.70 0.10 0.10 0.00 -2.23 0.00 0.00 60.65 59.33 2bjo s ILE 29 Cb -0.23 -3.40 -0.04 0.00 -1.58 0.00 0.00 42.46 37.20 2bjo s ILE 29 CO 0.38 0.34 -0.12 0.68 -1.23 0.00 0.00 174.94 174.99 2bjo s VAL 30 N 1.19 2.96 0.43 2.92 -7.23 0.34 -3.53 120.40 117.48 2bjo s VAL 30 Ca 0.07 -1.89 0.05 0.00 -1.81 0.00 0.00 61.98 58.39 2bjo s VAL 30 Cb -0.14 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.31 2bjo s VAL 30 CO 0.05 -0.20 0.61 -0.04 -0.31 0.00 0.00 175.10 175.21 2bjo s MET 31 N -3.05 2.90 0.55 4.82 1.00 -1.26 -4.74 119.30 119.52 2bjo s MET 31 Ca 0.26 -0.92 0.35 0.00 0.00 0.00 0.00 55.69 55.38 2bjo s MET 31 Cb -0.08 -2.68 1.51 0.00 0.00 0.00 0.00 34.83 33.59 2bjo s MET 31 CO 0.15 -0.27 1.79 -1.35 0.00 0.00 0.00 175.02 175.34 2bjo h PRO 32 N 0.54 0.00 -0.75 2.03 0.11 -2.01 -2.24 132.00 129.69 2bjo h PRO 32 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2bjo h PRO 32 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2bjo h PRO 32 CO 0.51 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.57 2bjo n ASN 33 N -4.07 3.00 -0.20 -2.05 6.94 -1.26 -4.66 115.26 112.96 2bjo n ASN 33 Ca 0.23 -2.37 -0.01 0.00 -0.02 0.00 0.00 54.58 52.41 2bjo n ASN 33 Cb 1.19 -0.54 0.09 0.00 -2.36 0.00 0.00 39.78 38.17 2bjo n ASN 33 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2bjo h ALA 34 N 3.01 0.76 0.25 -2.53 0.00 -1.72 -0.81 119.26 118.22 2bjo h ALA 34 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2bjo h ALA 34 Cb 1.09 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2bjo h ALA 34 CO 0.20 -0.14 -0.16 0.00 0.00 0.00 0.00 179.25 179.16 2bjo h ALA 35 N 1.37 -0.38 -0.64 0.00 0.00 -1.83 0.17 119.26 117.95 2bjo h ALA 35 Ca 0.28 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.20 2bjo h ALA 35 Cb 0.29 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 2bjo h ALA 35 CO -0.25 -0.72 0.32 0.00 0.00 0.00 0.00 179.25 178.60 2bjo h ALA 36 N 0.35 0.86 -0.00 0.00 0.00 -1.82 -2.10 119.26 116.54 2bjo h ALA 36 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2bjo h ALA 36 Cb 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2bjo h ALA 36 CO 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.22 2bjo n ALA 37 N -2.39 2.67 -2.44 0.00 0.00 -0.35 -4.94 120.51 113.06 2bjo n ALA 37 Ca 0.09 -0.21 -0.18 0.00 0.00 0.00 0.00 53.44 53.14 2bjo n ALA 37 Cb 0.22 -1.45 -0.00 0.00 0.00 0.00 0.00 19.45 18.22 2bjo n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bjo n GLY 38 N 0.98 -0.34 3.87 0.00 0.00 -0.33 -5.02 105.19 104.35 2bjo n GLY 38 Ca 0.22 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 2bjo n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bjo s GLN 39 N -4.99 3.16 0.03 1.61 -1.52 0.45 -5.02 119.66 113.37 2bjo s GLN 39 Ca 0.05 -0.71 0.07 0.00 -1.95 0.00 0.00 55.36 52.82 2bjo s GLN 39 Cb -0.02 -2.81 -0.02 0.00 -0.22 0.00 0.00 33.01 29.93 2bjo s GLN 39 CO 0.06 0.52 -0.20 0.95 -0.25 0.00 0.00 175.29 176.37 2bjo s THR 40 N -1.70 1.59 -4.31 -0.19 -4.23 -1.26 -4.39 115.64 101.15 2bjo s THR 40 Ca 0.33 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 2bjo s THR 40 Cb -0.11 -1.37 0.00 0.00 1.34 0.00 0.00 72.50 72.36 2bjo s THR 40 CO 0.26 0.26 0.00 0.61 -0.54 0.00 0.00 174.62 175.20 2bjo n GLY 41 N 2.06 -0.67 2.37 3.99 0.00 -1.26 -4.36 105.19 107.32 2bjo n GLY 41 Ca -0.17 -1.07 -0.21 0.00 0.00 0.00 0.00 46.02 44.58 2bjo n GLY 41 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2bjo n THR 42 N 7.75 0.00 -4.02 2.61 5.66 -0.29 -4.82 114.28 121.17 2bjo n THR 42 Ca 0.00 -1.59 -0.10 0.00 -3.05 0.00 0.00 64.05 59.32 2bjo n THR 42 Cb 0.00 0.37 -0.06 0.00 -1.55 0.00 0.00 70.33 69.09 2bjo n THR 42 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2bjo s ASN 43 N -2.81 -0.04 0.45 1.09 2.20 -1.26 -0.50 114.94 114.07 2bjo s ASN 43 Ca 0.03 -0.98 0.13 0.00 -0.94 0.00 0.00 52.86 51.10 2bjo s ASN 43 Cb 0.00 0.54 1.03 0.00 -2.00 0.00 0.00 41.25 40.82 2bjo s ASN 43 CO 0.02 -1.06 2.04 -0.65 -2.94 0.00 0.00 177.10 174.51 2bjo h PRO 44 N 2.35 0.12 0.11 3.55 0.11 -1.99 -1.78 132.00 134.46 2bjo h PRO 44 Ca -0.28 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 2bjo h PRO 44 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2bjo h PRO 44 CO 0.40 0.18 -0.05 0.93 -0.21 0.00 0.00 178.00 179.25 2bjo h GLU 45 N 0.12 -0.15 -0.71 1.05 3.07 -1.97 -1.54 114.58 114.44 2bjo h GLU 45 Ca 0.03 0.01 0.07 0.00 -0.50 0.00 0.00 59.36 58.97 2bjo h GLU 45 Cb 0.18 0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 28.06 2bjo h GLU 45 CO 0.01 0.15 0.39 0.37 -1.40 0.00 0.00 179.01 178.53 2bjo h GLN 46 N -0.45 0.68 -0.97 2.33 4.15 -1.84 0.39 115.11 119.40 2bjo h GLN 46 Ca -0.02 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.37 2bjo h GLN 46 Cb 0.36 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 27.85 2bjo h GLN 46 CO 0.03 0.45 0.63 -0.07 -1.93 0.00 0.00 178.83 177.94 2bjo h LEU 47 N 0.70 1.12 -0.14 -2.39 3.38 -1.25 -0.89 115.31 115.83 2bjo h LEU 47 Ca 0.33 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 2bjo h LEU 47 Cb 0.25 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2bjo h LEU 47 CO -0.21 0.82 0.02 0.15 0.09 0.00 0.00 178.44 179.31 2bjo h PHE 48 N 1.32 0.25 -0.47 1.13 3.57 -0.72 -1.69 116.94 120.32 2bjo h PHE 48 Ca 0.35 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.85 2bjo h PHE 48 Cb -0.14 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 2bjo h PHE 48 CO 0.00 0.41 0.25 0.00 -2.23 0.00 0.00 178.31 176.75 2bjo h ALA 49 N 0.81 0.60 -0.26 2.41 0.00 -0.68 -0.10 119.26 122.03 2bjo h ALA 49 Ca 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2bjo h ALA 49 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2bjo h ALA 49 CO 0.00 -0.08 0.13 0.00 0.00 0.00 0.00 179.25 179.30 2bjo h ALA 50 N 1.24 0.34 -0.30 0.00 0.00 -1.09 -1.53 119.26 117.92 2bjo h ALA 50 Ca 0.20 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2bjo h ALA 50 Cb 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2bjo h ALA 50 CO -0.13 -0.11 0.08 0.78 0.00 0.00 0.00 179.25 179.87 2bjo h GLY 51 N 0.30 0.51 1.13 0.00 0.00 -1.05 -2.43 103.07 101.53 2bjo h GLY 51 Ca 0.09 -0.31 -0.11 0.00 0.00 0.00 0.00 47.33 46.99 2bjo h GLY 51 CO -0.01 0.29 -0.11 -1.82 0.00 0.00 0.00 176.54 174.89 2bjo h TYR 52 N 0.31 1.13 -0.16 5.60 5.03 -1.04 0.18 116.97 128.02 2bjo h TYR 52 Ca 0.09 -0.23 0.00 0.00 2.58 0.00 0.00 58.73 61.17 2bjo h TYR 52 Cb 0.28 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.27 2bjo h TYR 52 CO 0.01 1.05 0.10 0.00 -1.32 0.00 0.00 178.16 178.01 2bjo h ALA 53 N 0.96 0.21 -0.20 1.82 0.00 -1.26 0.22 119.26 121.00 2bjo h ALA 53 Ca 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2bjo h ALA 53 Cb 0.68 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2bjo h ALA 53 CO 0.05 -0.32 0.08 0.00 0.00 0.00 0.00 179.25 179.06 2bjo h ALA 54 N 1.06 0.26 -0.64 0.00 0.00 -1.36 -0.75 119.26 117.83 2bjo h ALA 54 Ca 0.06 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.92 2bjo h ALA 54 Cb -0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 2bjo h ALA 54 CO -0.02 -0.15 0.35 0.00 0.00 0.00 0.00 179.25 179.44 2bjo h PHE 56 N 0.65 0.88 -0.82 0.00 3.04 -0.71 -1.57 116.94 118.41 2bjo h PHE 56 Ca 0.29 -0.31 0.10 0.00 3.98 0.00 0.00 57.97 62.04 2bjo h PHE 56 Cb 0.18 -0.17 -0.08 0.00 2.56 0.00 0.00 35.95 38.44 2bjo h PHE 56 CO -0.08 1.08 0.46 0.78 -2.02 0.00 0.00 178.31 178.53 2bjo h GLY 57 N 0.43 1.29 1.01 2.40 0.00 -1.05 0.18 103.07 107.33 2bjo h GLY 57 Ca 0.02 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 2bjo h GLY 57 CO 0.09 0.09 0.20 -1.33 0.00 0.00 0.00 176.54 175.60 2bjo h GLY 58 N 0.75 1.04 1.03 4.60 0.00 -1.10 -1.23 103.07 108.15 2bjo h GLY 58 Ca 0.41 -0.61 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 2bjo h GLY 58 CO -0.27 0.57 -0.11 0.00 0.00 0.00 0.00 176.54 176.73 2bjo h ALA 59 N 1.07 0.63 -0.53 3.60 0.00 -0.90 -0.51 119.26 122.62 2bjo h ALA 59 Ca 0.20 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2bjo h ALA 59 Cb 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2bjo h ALA 59 CO -0.01 0.52 0.12 1.25 0.00 0.00 0.00 179.25 181.14 2bjo h LEU 60 N 0.71 0.80 -0.49 0.00 5.85 -0.56 -1.31 115.31 120.31 2bjo h LEU 60 Ca 0.11 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 2bjo h LEU 60 Cb 0.65 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2bjo h LEU 60 CO 0.05 0.83 0.21 -0.08 -0.34 0.00 0.00 178.44 179.11 2bjo h GLU 61 N 0.74 0.73 -0.68 1.25 4.81 -1.12 -1.94 114.58 118.38 2bjo h GLU 61 Ca 0.16 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2bjo h GLU 61 Cb 0.35 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 2bjo h GLU 61 CO 0.00 0.63 0.22 1.25 -0.73 0.00 0.00 179.01 180.39 2bjo h HIS 62 N 0.66 1.08 -0.14 0.92 2.76 -0.94 -0.81 115.15 118.69 2bjo h HIS 62 Ca 0.17 -0.11 -0.15 0.00 -2.20 0.00 0.00 60.37 58.08 2bjo h HIS 62 Cb 0.16 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.80 2bjo h HIS 62 CO 0.00 0.87 -0.56 -0.39 -1.30 0.00 0.00 177.93 176.55 2bjo h VAL 63 N 0.99 1.34 -0.25 5.26 -1.51 -1.11 -2.72 116.25 118.25 2bjo h VAL 63 Ca 0.22 -1.84 -0.05 0.00 -1.23 0.00 0.00 66.70 63.80 2bjo h VAL 63 Cb 0.28 1.85 -0.01 0.00 -2.13 0.00 0.00 31.29 31.28 2bjo h VAL 63 CO -0.01 0.56 -0.03 0.00 -1.23 0.00 0.00 177.57 176.86 2bjo h ALA 64 N 1.08 0.34 -0.63 5.19 0.00 -1.34 -3.21 119.26 120.71 2bjo h ALA 64 Ca 0.00 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 54.77 2bjo h ALA 64 Cb 1.07 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 2bjo h ALA 64 CO 0.10 0.11 0.23 0.87 0.00 0.00 0.00 179.25 180.56 2bjo h LYS 65 N 0.23 0.39 -0.97 0.00 1.79 -0.96 -0.13 116.57 116.91 2bjo h LYS 65 Ca 0.07 -0.02 0.28 0.00 -2.18 0.00 0.00 60.65 58.80 2bjo h LYS 65 Cb 0.48 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.00 2bjo h LYS 65 CO 0.02 0.26 0.84 0.93 -1.08 0.00 0.00 179.45 180.42 2bjo h GLU 66 N 0.40 0.00 -0.46 3.15 4.39 -1.48 0.40 114.58 120.98 2bjo h GLU 66 Ca 0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.02 2bjo h GLU 66 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2bjo h GLU 66 CO -0.33 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.56 2bjo n GLN 67 N -3.84 2.95 -2.90 2.33 6.02 -0.27 -4.98 117.38 116.70 2bjo n GLN 67 Ca 0.21 -2.37 -0.21 0.00 -0.01 0.00 0.00 57.00 54.62 2bjo n GLN 67 Cb 1.16 -1.47 0.02 0.00 1.02 0.00 0.00 30.24 30.97 2bjo n GLN 67 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2bjo n ASN 68 N 0.73 -5.54 -4.68 1.08 3.02 0.13 -5.00 115.26 104.99 2bjo n ASN 68 Ca 0.17 -0.21 -0.35 0.00 -0.03 0.00 0.00 54.58 54.17 2bjo n ASN 68 Cb 0.57 -4.53 -0.09 0.00 -0.61 0.00 0.00 39.78 35.13 2bjo n ASN 68 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2bjo s ILE 69 N -3.07 5.06 -0.23 2.41 1.01 -0.22 -4.98 121.20 121.18 2bjo s ILE 69 Ca 0.23 0.06 -0.14 0.00 0.00 0.00 0.00 60.65 60.80 2bjo s ILE 69 Cb -0.11 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 2bjo s ILE 69 CO 0.29 0.46 0.32 -1.61 0.00 0.00 0.00 174.94 174.40 2bjo s GLU 70 N 0.27 4.11 0.09 2.79 0.41 -1.26 -3.40 118.70 121.71 2bjo s GLU 70 Ca 0.06 0.02 0.08 0.00 -0.41 0.00 0.00 54.97 54.72 2bjo s GLU 70 Cb -0.12 -3.56 -0.04 0.00 -1.78 0.00 0.00 34.13 28.63 2bjo s GLU 70 CO -0.01 -0.06 -0.19 0.96 -0.49 0.00 0.00 175.26 175.48 2bjo s ILE 71 N 1.39 2.79 -0.32 -1.63 -4.36 -1.26 -5.06 121.20 112.74 2bjo s ILE 71 Ca 0.15 -1.40 0.04 0.00 -0.26 0.00 0.00 60.65 59.17 2bjo s ILE 71 Cb -0.15 -2.24 0.09 0.00 1.25 0.00 0.00 42.46 41.42 2bjo s ILE 71 CO 0.07 0.19 0.02 -0.62 0.24 0.00 0.00 174.94 174.84 2bjo s ASP 72 N -1.88 4.71 0.13 4.36 2.15 -1.26 -5.05 116.67 119.84 2bjo s ASP 72 Ca 0.17 -2.00 0.07 0.00 0.43 0.00 0.00 52.55 51.21 2bjo s ASP 72 Cb -0.11 -1.62 -0.04 0.00 -0.30 0.00 0.00 42.92 40.86 2bjo s ASP 72 CO 0.08 -0.34 -0.15 -0.94 -0.17 0.00 0.00 175.17 173.64 2bjo s SER 73 N 0.96 2.16 -0.07 -0.34 1.04 -1.26 -3.71 113.70 112.49 2bjo s SER 73 Ca 0.07 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.69 2bjo s SER 73 Cb -0.19 -0.09 0.02 0.00 0.10 0.00 0.00 66.02 65.86 2bjo s SER 73 CO -0.07 -0.11 -0.05 -1.61 0.98 0.00 0.00 173.24 172.38 2bjo s GLU 74 N -2.63 1.00 -0.21 4.02 2.02 0.12 -5.02 118.70 118.01 2bjo s GLU 74 Ca 0.10 -0.11 0.01 0.00 0.02 0.00 0.00 54.97 54.99 2bjo s GLU 74 Cb -0.05 -1.08 0.03 0.00 0.10 0.00 0.00 34.13 33.13 2bjo s GLU 74 CO 0.04 -0.16 -0.16 0.42 0.02 0.00 0.00 175.26 175.42 2bjo s ILE 75 N 1.31 2.23 -0.42 -1.63 1.01 -1.26 -0.08 121.20 122.36 2bjo s ILE 75 Ca -0.04 -1.09 -0.18 0.00 0.00 0.00 0.00 60.65 59.34 2bjo s ILE 75 Cb -0.14 -2.05 0.02 0.00 0.01 0.00 0.00 42.46 40.31 2bjo s ILE 75 CO -0.02 0.37 0.51 -0.70 0.00 0.00 0.00 174.94 175.09 2bjo s GLU 76 N 1.26 3.21 -0.02 2.79 2.12 -0.47 -4.85 118.70 122.73 2bjo s GLU 76 Ca 0.01 -0.58 -0.26 0.00 0.36 0.00 0.00 54.97 54.50 2bjo s GLU 76 Cb -0.15 -3.94 -0.04 0.00 0.26 0.00 0.00 34.13 30.26 2bjo s GLU 76 CO -0.10 -0.88 0.81 0.20 -0.54 0.00 0.00 175.26 174.75 2bjo s GLY 77 N 1.86 2.75 -0.25 -1.50 0.00 -1.26 -1.54 107.32 107.39 2bjo s GLY 77 Ca 0.16 0.30 0.01 0.00 0.00 0.00 0.00 44.72 45.19 2bjo s GLY 77 CO 0.15 1.34 -0.02 1.20 0.00 0.00 0.00 173.10 175.76 2bjo s GLN 78 N 0.70 1.45 -0.23 2.90 -0.21 0.57 -4.85 119.66 119.99 2bjo s GLN 78 Ca 0.43 -1.04 -0.03 0.00 0.02 0.00 0.00 55.36 54.73 2bjo s GLN 78 Cb -0.19 -2.55 0.00 0.00 1.00 0.00 0.00 33.01 31.26 2bjo s GLN 78 CO 0.22 -0.67 -0.05 0.08 -2.12 0.00 0.00 175.29 172.75 2bjo s VAL 79 N 1.40 3.20 -0.14 1.09 1.01 -1.26 -0.46 120.40 125.25 2bjo s VAL 79 Ca -0.02 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 2bjo s VAL 79 Cb -0.19 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 2bjo s VAL 79 CO -0.08 0.38 0.06 -0.44 0.00 0.00 0.00 175.10 175.01 2bjo s SER 80 N 1.44 5.63 0.03 3.32 0.01 0.23 -4.83 113.70 119.53 2bjo s SER 80 Ca 0.05 0.17 -0.22 0.00 1.31 0.00 0.00 55.95 57.25 2bjo s SER 80 Cb -0.15 -1.84 -0.06 0.00 0.21 0.00 0.00 66.02 64.19 2bjo s SER 80 CO -0.04 0.28 0.67 -0.22 0.41 0.00 0.00 173.24 174.34 2bjo s LEU 81 N -0.27 4.45 0.04 2.44 2.96 -1.26 -1.29 118.68 125.76 2bjo s LEU 81 Ca 0.08 1.31 -0.01 0.00 -0.22 0.00 0.00 54.13 55.29 2bjo s LEU 81 Cb -0.12 -3.07 -0.03 0.00 0.50 0.00 0.00 46.19 43.47 2bjo s LEU 81 CO 0.02 0.09 -0.02 -0.04 -1.32 0.00 0.00 176.35 175.07 2bjo s MET 82 N -0.27 0.51 0.31 1.98 -1.94 0.44 -4.99 119.30 115.34 2bjo s MET 82 Ca 0.34 -0.99 -0.29 0.00 -1.71 0.00 0.00 55.69 53.04 2bjo s MET 82 Cb -0.20 0.18 -0.10 0.00 2.01 0.00 0.00 34.83 36.73 2bjo s MET 82 CO 0.20 -0.09 1.19 0.21 -0.01 0.00 0.00 175.02 176.52 2bjo s LYS 83 N -3.04 4.50 -0.55 2.03 2.20 -1.26 -1.10 119.74 122.52 2bjo s LYS 83 Ca -0.01 1.99 -0.09 0.00 -0.36 0.00 0.00 55.97 57.50 2bjo s LYS 83 Cb 0.02 -3.12 0.14 0.00 -1.51 0.00 0.00 37.83 33.36 2bjo s LYS 83 CO -0.07 0.02 0.42 0.34 -0.36 0.00 0.00 175.35 175.70 2bjo s ASP 84 N -0.72 5.77 0.52 1.43 -1.08 -0.26 -4.65 116.67 117.68 2bjo s ASP 84 Ca 0.47 -2.19 0.22 0.00 -0.52 0.00 0.00 52.55 50.53 2bjo s ASP 84 Cb -0.35 -2.01 1.39 0.00 -1.46 0.00 0.00 42.92 40.49 2bjo s ASP 84 CO 0.46 -0.62 2.11 -0.33 0.52 0.00 0.00 175.17 177.31 2bjo h GLU 85 N 8.11 0.00 -0.46 4.34 5.08 -1.94 0.28 114.58 129.99 2bjo h GLU 85 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2bjo h GLU 85 Cb 1.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 2bjo h GLU 85 CO 0.82 0.09 0.30 0.66 -1.00 0.00 0.00 179.01 179.88 2bjo h SER 86 N 0.00 0.54 0.00 1.42 4.64 -1.96 -3.34 113.55 114.85 2bjo h SER 86 Ca -0.00 -0.02 -0.20 0.00 -0.47 0.00 0.00 61.79 61.11 2bjo h SER 86 Cb 0.19 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.11 2bjo h SER 86 CO 0.01 0.40 -1.74 -0.67 -0.87 0.00 0.00 176.83 173.97 2bjo n ASP 87 N -4.46 2.57 0.00 4.97 -0.08 -0.96 -4.99 116.55 113.61 2bjo n ASP 87 Ca 0.04 -0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 2bjo n ASP 87 Cb 0.06 0.46 0.00 0.00 2.34 0.00 0.00 41.12 43.98 2bjo n ASP 87 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2bjo n GLY 88 N 2.51 0.81 0.00 0.27 0.00 0.96 -5.01 105.19 104.72 2bjo n GLY 88 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2bjo n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bjo n GLY 89 N -2.29 1.81 3.24 -0.02 0.00 -1.10 -4.86 105.19 101.98 2bjo n GLY 89 Ca 0.00 -1.82 -0.15 0.00 0.00 0.00 0.00 46.02 44.06 2bjo n GLY 89 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bjo s PHE 90 N 3.24 1.26 0.22 1.61 0.40 -1.26 -1.10 117.98 122.35 2bjo s PHE 90 Ca 0.00 -0.72 -0.13 0.00 -0.60 0.00 0.00 56.93 55.48 2bjo s PHE 90 Cb 0.00 -0.65 0.00 0.00 0.51 0.00 0.00 43.02 42.89 2bjo s PHE 90 CO 0.00 0.08 0.46 -1.59 0.70 0.00 0.00 175.22 174.87 2bjo s LYS 91 N -3.51 1.44 -0.01 0.44 -2.85 -0.26 -4.68 119.74 110.33 2bjo s LYS 91 Ca 0.14 -1.15 -0.00 0.00 -1.00 0.00 0.00 55.97 53.96 2bjo s LYS 91 Cb 0.01 0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 36.21 2bjo s LYS 91 CO 0.01 -0.59 0.08 0.42 0.10 0.00 0.00 175.35 175.36 2bjo s ILE 92 N -3.98 4.72 0.04 3.79 -1.09 -1.26 -0.42 121.20 122.99 2bjo s ILE 92 Ca 0.18 -0.40 0.07 0.00 -2.23 0.00 0.00 60.65 58.27 2bjo s ILE 92 Cb -0.00 -3.15 -0.02 0.00 -1.58 0.00 0.00 42.46 37.71 2bjo s ILE 92 CO 0.05 0.36 -0.19 -0.83 -1.23 0.00 0.00 174.94 173.10 2bjo s GLY 93 N -1.70 1.03 -0.04 6.18 0.00 -0.41 -4.82 107.32 107.56 2bjo s GLY 93 Ca 0.22 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.97 2bjo s GLY 93 CO 0.13 -0.91 -0.03 0.14 0.00 0.00 0.00 173.10 172.43 2bjo s VAL 94 N -0.76 0.45 -0.03 1.40 1.01 -1.26 -0.60 120.40 120.60 2bjo s VAL 94 Ca 0.06 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.05 2bjo s VAL 94 Cb -0.08 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 2bjo s VAL 94 CO 0.01 0.21 -0.24 -0.89 0.00 0.00 0.00 175.10 174.19 2bjo s THR 95 N 1.02 2.18 -0.16 3.92 2.01 0.40 -1.70 115.64 123.30 2bjo s THR 95 Ca -0.10 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 60.86 2bjo s THR 95 Cb -0.14 -1.77 0.01 0.00 0.01 0.00 0.00 72.50 70.61 2bjo s THR 95 CO -0.01 0.58 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.55 2bjo s LEU 96 N -0.53 2.21 -0.31 4.42 1.43 0.37 -0.31 118.68 125.96 2bjo s LEU 96 Ca 0.07 -0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 52.51 2bjo s LEU 96 Cb -0.11 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.63 2bjo s LEU 96 CO 0.00 0.04 0.10 -0.69 0.23 0.00 0.00 176.35 176.03 2bjo s VAL 97 N 1.07 4.07 -0.26 -1.59 1.01 -0.59 -1.17 120.40 122.93 2bjo s VAL 97 Ca -0.01 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 2bjo s VAL 97 Cb -0.14 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 2bjo s VAL 97 CO -0.07 0.04 0.11 -0.69 0.00 0.00 0.00 175.10 174.49 2bjo s VAL 98 N 1.51 4.57 -0.36 2.92 1.01 0.23 -1.37 120.40 128.91 2bjo s VAL 98 Ca 0.02 -0.13 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 2bjo s VAL 98 Cb -0.17 -3.18 0.04 0.00 0.00 0.00 0.00 36.38 33.07 2bjo s VAL 98 CO 0.03 0.28 0.17 0.21 0.00 0.00 0.00 175.10 175.79 2bjo s ASN 99 N 1.65 5.54 -0.37 3.32 2.47 0.89 -1.45 114.94 126.98 2bjo s ASN 99 Ca 0.06 -1.13 0.06 0.00 0.42 0.00 0.00 52.86 52.27 2bjo s ASN 99 Cb -0.16 -1.95 0.50 0.00 -1.45 0.00 0.00 41.25 38.20 2bjo s ASN 99 CO 0.06 -0.38 1.55 0.35 -3.72 0.00 0.00 177.10 174.96 2bjo n THR 100 N 4.91 2.80 0.00 -5.21 -2.24 -1.26 -0.70 114.28 112.57 2bjo n THR 100 Ca -0.12 -3.02 0.00 0.00 -2.27 0.00 0.00 64.05 58.64 2bjo n THR 100 Cb 0.45 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 2bjo n THR 100 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2bjo n LYS 101 N -1.01 0.00 -0.05 -0.78 4.76 -1.24 -1.49 118.16 118.34 2bjo n LYS 101 Ca 0.43 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.99 2bjo n LYS 101 Cb 1.02 0.00 0.35 0.00 -1.84 0.00 0.00 35.03 34.56 2bjo n LYS 101 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2bjo n ASP 102 N 5.90 2.14 -4.76 4.39 8.00 -1.26 -4.94 116.55 126.02 2bjo n ASP 102 Ca 0.00 -1.74 -0.41 0.00 0.71 0.00 0.00 54.79 53.35 2bjo n ASP 102 Cb 0.00 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.02 2bjo n ASP 102 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2bjo s LEU 103 N -1.79 4.36 0.29 0.64 2.96 -0.56 -4.91 118.68 119.68 2bjo s LEU 103 Ca 0.34 2.86 -0.30 0.00 -0.22 0.00 0.00 54.13 56.82 2bjo s LEU 103 Cb 0.20 -3.64 -0.12 0.00 0.50 0.00 0.00 46.19 43.13 2bjo s LEU 103 CO 0.30 -0.80 1.49 0.47 -1.32 0.00 0.00 176.35 176.49 2bjo n ASP 104 N 1.71 3.40 -0.19 3.68 8.00 -1.26 -4.77 116.55 127.12 2bjo n ASP 104 Ca 0.05 1.16 -0.03 0.00 0.71 0.00 0.00 54.79 56.69 2bjo n ASP 104 Cb 0.39 -1.54 0.08 0.00 -0.02 0.00 0.00 41.12 40.03 2bjo n ASP 104 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2bjo h ARG 105 N 4.14 0.48 -0.66 -1.24 2.43 -1.97 0.18 114.38 117.75 2bjo h ARG 105 Ca -0.47 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 58.76 2bjo h ARG 105 Cb 1.25 -0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.62 2bjo h ARG 105 CO 0.74 0.32 0.30 0.93 -1.51 0.00 0.00 179.97 180.76 2bjo h GLU 106 N 0.50 0.51 -0.34 0.20 3.07 -2.00 0.12 114.58 116.64 2bjo h GLU 106 Ca 0.26 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.99 2bjo h GLU 106 Cb 0.22 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 2bjo h GLU 106 CO -0.21 0.34 -0.17 -0.22 -1.40 0.00 0.00 179.01 177.35 2bjo h LYS 107 N 0.53 0.72 -0.34 2.33 1.63 -1.72 -2.52 116.57 117.20 2bjo h LYS 107 Ca 0.32 -0.32 0.07 0.00 -0.85 0.00 0.00 60.65 59.88 2bjo h LYS 107 Cb 0.35 -0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.90 2bjo h LYS 107 CO -0.27 0.92 -0.05 0.00 -3.45 0.00 0.00 179.45 176.60 2bjo h ALA 108 N 0.78 0.26 -0.41 5.00 0.00 0.08 -0.35 119.26 124.63 2bjo h ALA 108 Ca 0.08 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.18 2bjo h ALA 108 Cb 0.71 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 2bjo h ALA 108 CO 0.05 -0.44 0.04 0.37 0.00 0.00 0.00 179.25 179.27 2bjo h GLN 109 N 0.04 0.15 -0.27 0.00 5.75 -0.72 -0.91 115.11 119.14 2bjo h GLN 109 Ca 0.17 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.65 2bjo h GLN 109 Cb 0.24 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 2bjo h GLN 109 CO -0.32 0.10 0.16 1.49 -2.65 0.00 0.00 178.83 177.61 2bjo h GLU 110 N 0.15 0.38 0.00 1.69 4.81 -0.97 -2.54 114.58 118.10 2bjo h GLU 110 Ca 0.20 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 2bjo h GLU 110 Cb 0.27 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2bjo h GLU 110 CO -0.30 0.31 -0.49 -0.07 -0.73 0.00 0.00 179.01 177.72 2bjo h LEU 111 N 0.34 0.00 -0.12 1.64 3.38 -0.74 -1.94 115.31 117.86 2bjo h LEU 111 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2bjo h LEU 111 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2bjo h LEU 111 CO -0.02 0.49 0.06 0.58 0.09 0.00 0.00 178.44 179.64 2bjo h VAL 112 N 0.00 1.13 -0.26 1.22 2.07 -1.12 0.68 116.25 119.98 2bjo h VAL 112 Ca -0.00 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 2bjo h VAL 112 Cb 0.88 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2bjo h VAL 112 CO 0.06 0.12 0.12 0.78 0.02 0.00 0.00 177.57 178.68 2bjo h ASN 113 N 0.06 0.34 -0.57 0.57 2.35 -1.27 -0.56 115.58 116.51 2bjo h ASN 113 Ca 0.04 -0.12 0.03 0.00 -0.55 0.00 0.00 56.30 55.70 2bjo h ASN 113 Cb 0.14 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.38 2bjo h ASN 113 CO -0.00 0.37 0.33 0.00 -1.65 0.00 0.00 177.43 176.48 2bjo h ALA 114 N 0.98 0.74 -1.00 -0.83 0.00 -1.31 -1.99 119.26 115.85 2bjo h ALA 114 Ca 0.09 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2bjo h ALA 114 Cb 0.12 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 2bjo h ALA 114 CO -0.01 0.03 0.64 0.00 0.00 0.00 0.00 179.25 179.92 2bjo h ALA 115 N 1.27 1.45 0.00 0.00 0.00 -0.60 -1.33 119.26 120.05 2bjo h ALA 115 Ca 0.24 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2bjo h ALA 115 Cb 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2bjo h ALA 115 CO -0.12 0.37 -0.19 1.25 0.00 0.00 0.00 179.25 180.56 2bjo h HIS 116 N 1.12 0.00 0.00 0.00 6.17 -0.36 -0.67 115.15 121.40 2bjo h HIS 116 Ca 0.46 0.00 -0.23 0.00 0.71 0.00 0.00 60.37 61.31 2bjo h HIS 116 Cb 0.28 0.00 -0.04 0.00 2.52 0.00 0.00 27.41 30.17 2bjo h HIS 116 CO -0.00 0.19 -1.20 0.93 0.71 0.00 0.00 177.93 178.56 2bjo h GLU 117 N 0.00 0.00 0.13 5.26 4.39 -0.87 -3.40 114.58 120.09 2bjo h GLU 117 Ca -0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 2bjo h GLU 117 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2bjo h GLU 117 CO 0.02 0.81 -1.45 0.35 -1.16 0.00 0.00 179.01 177.59 2bjo h PHE 118 N 0.00 0.51 -1.52 4.33 3.57 -0.94 -3.45 116.94 119.44 2bjo h PHE 118 Ca -0.10 -0.37 -0.67 0.00 3.53 0.00 0.00 57.97 60.37 2bjo h PHE 118 Cb 1.82 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.54 2bjo h PHE 118 CO 0.00 1.57 1.21 0.00 -2.23 0.00 0.00 178.31 178.86 2bjo h PRO 120 N 10.40 0.17 -0.21 0.00 0.11 -1.91 -1.16 132.00 139.41 2bjo h PRO 120 Ca -0.39 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.63 2bjo h PRO 120 Cb 1.30 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2bjo h PRO 120 CO 0.98 0.11 -0.23 1.88 -0.21 0.00 0.00 178.00 180.54 2bjo h TYR 121 N 0.17 0.41 -0.43 0.65 0.99 -1.94 -0.87 116.97 115.95 2bjo h TYR 121 Ca 0.52 -0.08 -0.13 0.00 2.00 0.00 0.00 58.73 61.04 2bjo h TYR 121 Cb 1.74 -0.10 -0.01 0.00 1.00 0.00 0.00 36.73 39.36 2bjo h TYR 121 CO -0.00 0.58 -0.25 0.77 -0.00 0.00 0.00 178.16 179.25 2bjo h SER 122 N 0.34 0.97 -0.23 3.88 0.02 -1.52 -2.18 113.55 114.83 2bjo h SER 122 Ca 0.05 -0.42 -0.02 0.00 -0.84 0.00 0.00 61.79 60.57 2bjo h SER 122 Cb 0.59 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2bjo h SER 122 CO 0.04 1.18 0.07 0.11 -1.14 0.00 0.00 176.83 177.09 2bjo h LYS 123 N 0.77 0.37 -0.35 3.45 1.57 -1.35 -1.50 116.57 119.53 2bjo h LYS 123 Ca 0.09 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2bjo h LYS 123 Cb 0.83 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 2bjo h LYS 123 CO 0.07 0.46 0.19 0.00 -0.57 0.00 0.00 179.45 179.61 2bjo h ALA 124 N 0.89 1.69 -0.02 3.86 0.00 -0.98 -3.02 119.26 121.67 2bjo h ALA 124 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2bjo h ALA 124 Cb 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2bjo h ALA 124 CO -0.00 0.27 -0.38 0.25 0.00 0.00 0.00 179.25 179.39 2bjo n THR 125 N -4.45 0.00 -1.67 0.00 -2.24 -0.83 -4.97 114.28 100.12 2bjo n THR 125 Ca 0.02 -0.30 -0.47 0.00 -2.27 0.00 0.00 64.05 61.03 2bjo n THR 125 Cb 0.09 1.27 -0.05 0.00 -2.10 0.00 0.00 70.33 69.54 2bjo n THR 125 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2bjo n ARG 126 N 0.22 2.13 -0.77 -0.78 3.00 -0.57 -1.36 116.66 118.53 2bjo n ARG 126 Ca 0.10 0.78 0.00 0.00 -0.00 0.00 0.00 57.85 58.73 2bjo n ARG 126 Cb 0.49 -2.58 0.00 0.00 0.00 0.00 0.00 32.46 30.37 2bjo n ARG 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2bjo n GLY 127 N 3.89 1.33 0.06 5.14 0.00 -1.26 -4.80 105.19 109.55 2bjo n GLY 127 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 2bjo n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bjo n ASN 128 N 0.00 3.03 -4.27 1.61 5.03 -0.46 -5.01 115.26 115.19 2bjo n ASN 128 Ca 0.00 -0.05 -0.29 0.00 0.87 0.00 0.00 54.58 55.10 2bjo n ASN 128 Cb 0.00 -0.04 -0.16 0.00 -1.02 0.00 0.00 39.78 38.56 2bjo n ASN 128 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2bjo s VAL 129 N -2.23 1.87 -1.18 2.41 1.01 -0.94 -5.04 120.40 116.30 2bjo s VAL 129 Ca -0.14 -1.03 -0.08 0.00 0.00 0.00 0.00 61.98 60.72 2bjo s VAL 129 Cb 0.04 -1.56 0.23 0.00 0.00 0.00 0.00 36.38 35.09 2bjo s VAL 129 CO 0.29 0.51 1.53 -0.90 0.00 0.00 0.00 175.10 176.53 2bjo n ASP 130 N 2.45 5.62 -4.62 3.32 5.75 -1.26 -4.77 116.55 123.03 2bjo n ASP 130 Ca -0.16 -3.17 -0.43 0.00 -0.01 0.00 0.00 54.79 51.03 2bjo n ASP 130 Cb 0.52 -1.41 -0.03 0.00 -1.03 0.00 0.00 41.12 39.17 2bjo n ASP 130 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2bjo s VAL 131 N -0.70 3.36 -0.15 2.12 1.01 -1.26 -4.61 120.40 120.17 2bjo s VAL 131 Ca 0.36 0.40 -0.17 0.00 0.00 0.00 0.00 61.98 62.56 2bjo s VAL 131 Cb 0.02 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2bjo s VAL 131 CO 0.02 -0.21 0.45 -0.54 0.00 0.00 0.00 175.10 174.82 2bjo s LYS 132 N 5.34 4.27 -0.19 2.72 1.02 -0.69 -5.00 119.74 127.22 2bjo s LYS 132 Ca 0.84 0.36 -0.03 0.00 0.02 0.00 0.00 55.97 57.16 2bjo s LYS 132 Cb -0.29 -3.48 -0.01 0.00 -0.52 0.00 0.00 37.83 33.53 2bjo s LYS 132 CO 0.34 0.07 -0.07 -0.51 -0.92 0.00 0.00 175.35 174.26 2bjo s LEU 133 N 0.93 2.84 -0.08 3.17 1.43 -1.26 -0.48 118.68 125.22 2bjo s LEU 133 Ca 0.23 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 2bjo s LEU 133 Cb -0.15 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.39 2bjo s LEU 133 CO 0.09 0.04 -0.11 -1.61 0.23 0.00 0.00 176.35 174.98 2bjo s GLU 134 N 1.14 1.70 0.24 1.70 2.02 -0.32 -4.99 118.70 120.19 2bjo s GLU 134 Ca 0.01 -0.39 -0.13 0.00 0.02 0.00 0.00 54.97 54.49 2bjo s GLU 134 Cb -0.14 -1.49 -0.08 0.00 0.10 0.00 0.00 34.13 32.52 2bjo s GLU 134 CO -0.02 -0.05 0.61 -0.51 0.02 0.00 0.00 175.26 175.31 2bjo s LEU 135 N 0.93 4.19 0.00 1.80 1.43 -1.26 0.78 118.68 126.55 2bjo s LEU 135 Ca -0.09 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.09 2bjo s LEU 135 Cb -0.15 -3.69 0.00 0.00 0.03 0.00 0.00 46.19 42.38 2bjo s LEU 135 CO 0.00 -0.06 0.47 2.29 0.23 0.00 0.00 176.35 179.29