#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukr n ILE 4 N 0.00 0.08 -1.06 -0.61 2.08 -1.26 -4.90 119.36 113.70 1ukr n ILE 4 Ca 0.00 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.30 1ukr n ILE 4 Cb 0.00 -1.62 0.00 0.00 -0.75 0.00 0.00 39.64 37.27 1ukr n ILE 4 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1ukr n ASN 5 N 3.90 0.16 -3.82 4.38 6.94 -0.51 -4.92 115.26 121.38 1ukr n ASN 5 Ca 0.18 -1.21 -0.13 0.00 -0.02 0.00 0.00 54.58 53.39 1ukr n ASN 5 Cb 0.29 -0.03 -0.14 0.00 -2.36 0.00 0.00 39.78 37.54 1ukr n ASN 5 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1ukr s TYR 6 N -0.10 -0.05 -0.19 -2.53 5.04 -0.81 -4.68 117.35 114.04 1ukr s TYR 6 Ca 0.00 0.18 -0.01 0.00 -2.44 0.00 0.00 57.07 54.80 1ukr s TYR 6 Cb 0.00 -0.04 -0.00 0.00 0.35 0.00 0.00 41.96 42.27 1ukr s TYR 6 CO 0.00 -0.06 -0.11 0.08 -1.34 0.00 0.00 175.55 174.12 1ukr s VAL 7 N 0.38 2.88 -0.21 3.14 1.01 -1.26 -1.41 120.40 124.92 1ukr s VAL 7 Ca -0.03 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.10 1ukr s VAL 7 Cb -0.04 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1ukr s VAL 7 CO -0.01 0.48 0.50 -1.58 0.00 0.00 0.00 175.10 174.49 1ukr s GLN 8 N 1.17 4.16 -0.32 2.72 2.00 0.05 -4.99 119.66 124.46 1ukr s GLN 8 Ca 0.02 0.36 -0.01 0.00 -2.00 0.00 0.00 55.36 53.73 1ukr s GLN 8 Cb -0.14 -3.58 0.13 0.00 0.80 0.00 0.00 33.01 30.22 1ukr s GLN 8 CO -0.04 -0.17 0.23 1.21 -0.50 0.00 0.00 175.29 176.01 1ukr s ASN 9 N 1.21 2.60 -0.26 6.67 3.84 -1.26 -1.80 114.94 125.95 1ukr s ASN 9 Ca 0.23 -1.47 -0.00 0.00 0.21 0.00 0.00 52.86 51.83 1ukr s ASN 9 Cb -0.15 -0.03 0.04 0.00 -0.55 0.00 0.00 41.25 40.56 1ukr s ASN 9 CO 0.09 -0.36 -0.07 -0.47 -2.79 0.00 0.00 177.10 173.50 1ukr s TYR 10 N 1.77 3.15 -1.48 0.43 5.04 -0.14 -4.68 117.35 121.44 1ukr s TYR 10 Ca 0.13 -1.87 -0.13 0.00 -2.44 0.00 0.00 57.07 52.76 1ukr s TYR 10 Cb -0.17 -2.02 0.09 0.00 0.35 0.00 0.00 41.96 40.21 1ukr s TYR 10 CO -0.20 -0.80 0.74 0.09 -1.34 0.00 0.00 175.55 174.04 1ukr n ASN 11 N 4.58 -4.20 0.29 4.32 3.02 -1.26 -1.50 115.26 120.51 1ukr n ASN 11 Ca -0.15 -0.65 0.18 0.00 -0.03 0.00 0.00 54.58 53.93 1ukr n ASN 11 Cb 0.45 -3.41 0.94 0.00 -0.61 0.00 0.00 39.78 37.15 1ukr n ASN 11 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1ukr h GLY 12 N -1.51 0.00 2.00 7.41 0.00 -1.87 -1.59 103.07 107.52 1ukr h GLY 12 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1ukr h GLY 12 CO 0.64 0.00 0.00 3.45 0.00 0.00 0.00 176.54 180.63 1ukr h ASN 13 N 0.00 0.00 0.66 0.19 -1.07 -1.98 -2.68 115.58 110.71 1ukr h ASN 13 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.40 1ukr h ASN 13 Cb 0.42 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.67 1ukr h ASN 13 CO -0.00 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.68 1ukr n LEU 14 N -2.95 0.38 0.00 6.14 4.77 -0.60 -4.85 117.00 119.90 1ukr n LEU 14 Ca -0.01 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 1ukr n LEU 14 Cb 0.15 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1ukr n LEU 14 CO 0.21 -0.41 0.00 0.61 -1.33 0.00 0.00 177.39 176.47 1ukr n GLY 15 N 0.07 4.70 3.10 -0.72 0.00 -1.01 -4.88 105.19 106.45 1ukr n GLY 15 Ca 0.03 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 1ukr n GLY 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ukr s ASP 16 N 1.23 5.09 -0.28 1.61 2.15 0.01 -4.94 116.67 121.54 1ukr s ASP 16 Ca 0.00 -2.00 -0.11 0.00 0.43 0.00 0.00 52.55 50.87 1ukr s ASP 16 Cb 0.00 -1.76 -0.05 0.00 -0.30 0.00 0.00 42.92 40.81 1ukr s ASP 16 CO 0.00 -0.47 0.21 0.12 -0.17 0.00 0.00 175.17 174.85 1ukr s PHE 17 N 1.08 3.23 0.05 -5.34 5.36 -1.26 -2.05 117.98 119.04 1ukr s PHE 17 Ca 0.08 0.16 0.07 0.00 -0.96 0.00 0.00 56.93 56.28 1ukr s PHE 17 Cb -0.21 -2.40 -0.03 0.00 -0.34 0.00 0.00 43.02 40.04 1ukr s PHE 17 CO -0.05 -0.16 -0.21 0.99 -1.46 0.00 0.00 175.22 174.33 1ukr s THR 18 N 1.77 1.67 0.17 0.12 2.01 -0.70 -5.00 115.64 115.69 1ukr s THR 18 Ca 0.08 -1.23 -0.19 0.00 0.31 0.00 0.00 61.69 60.66 1ukr s THR 18 Cb -0.16 -1.46 0.04 0.00 0.01 0.00 0.00 72.50 70.93 1ukr s THR 18 CO 0.11 0.19 0.53 -0.72 -0.69 0.00 0.00 174.62 174.03 1ukr s TYR 19 N -0.83 -0.27 -0.25 4.92 1.13 -1.26 -0.94 117.35 119.85 1ukr s TYR 19 Ca 0.07 -0.04 -0.02 0.00 -1.41 0.00 0.00 57.07 55.68 1ukr s TYR 19 Cb -0.09 0.43 0.13 0.00 -1.10 0.00 0.00 41.96 41.32 1ukr s TYR 19 CO 0.02 -0.86 0.31 0.34 -2.51 0.00 0.00 175.55 172.85 1ukr s ASP 20 N -2.82 1.00 0.40 -0.18 -1.08 -0.63 -4.99 116.67 108.37 1ukr s ASP 20 Ca 0.05 -0.26 0.15 0.00 -0.52 0.00 0.00 52.55 51.97 1ukr s ASP 20 Cb -0.01 0.74 0.83 0.00 -1.46 0.00 0.00 42.92 43.02 1ukr s ASP 20 CO -0.07 -0.34 1.86 -0.33 0.52 0.00 0.00 175.17 176.81 1ukr h GLU 21 N 8.24 0.00 -0.19 4.34 3.07 -1.96 -0.88 114.58 127.20 1ukr h GLU 21 Ca -0.16 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.49 1ukr h GLU 21 Cb 1.13 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.04 1ukr h GLU 21 CO 0.29 0.33 -0.71 0.77 -1.40 0.00 0.00 179.01 178.29 1ukr h SER 22 N 0.00 0.96 1.49 1.42 0.02 -1.94 -3.03 113.55 112.46 1ukr h SER 22 Ca -0.00 -0.60 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 1ukr h SER 22 Cb 0.62 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1ukr h SER 22 CO 0.04 1.40 -0.07 0.00 -1.14 0.00 0.00 176.83 177.06 1ukr h ALA 23 N 0.58 0.96 -1.99 3.77 0.00 -1.95 -3.48 119.26 117.15 1ukr h ALA 23 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 1ukr h ALA 23 Cb 1.34 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.14 1ukr h ALA 23 CO 0.15 0.00 -0.28 0.41 0.00 0.00 0.00 179.25 179.53 1ukr n GLY 24 N 1.28 0.05 3.35 0.00 0.00 -0.39 -4.77 105.19 104.71 1ukr n GLY 24 Ca 0.05 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 1ukr n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ukr s THR 25 N -2.70 1.94 0.17 2.61 -4.23 -0.85 -0.61 115.64 111.98 1ukr s THR 25 Ca 0.08 -1.95 -0.22 0.00 -1.18 0.00 0.00 61.69 58.42 1ukr s THR 25 Cb -0.04 -1.91 0.06 0.00 1.34 0.00 0.00 72.50 71.95 1ukr s THR 25 CO 0.11 -0.28 0.58 0.72 -0.54 0.00 0.00 174.62 175.20 1ukr s PHE 26 N -2.00 -0.46 0.05 3.99 -0.12 -0.65 -1.60 117.98 117.20 1ukr s PHE 26 Ca 0.17 0.21 -0.08 0.00 -0.05 0.00 0.00 56.93 57.19 1ukr s PHE 26 Cb -0.06 0.53 -0.00 0.00 -0.63 0.00 0.00 43.02 42.85 1ukr s PHE 26 CO 0.07 -0.86 0.15 -1.54 -0.05 0.00 0.00 175.22 173.00 1ukr s SER 27 N -2.77 0.12 -0.06 1.98 1.04 -0.12 -1.04 113.70 112.85 1ukr s SER 27 Ca 0.02 -0.52 -0.03 0.00 0.48 0.00 0.00 55.95 55.90 1ukr s SER 27 Cb -0.01 0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.43 1ukr s SER 27 CO -0.11 -0.59 0.12 -0.32 0.98 0.00 0.00 173.24 173.32 1ukr s MET 28 N -2.99 0.00 -0.15 4.02 0.00 0.02 -1.72 119.30 118.48 1ukr s MET 28 Ca -0.02 0.46 -0.01 0.00 0.00 0.00 0.00 55.69 56.12 1ukr s MET 28 Cb 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 34.83 34.50 1ukr s MET 28 CO -0.06 -0.28 -0.11 0.71 0.00 0.00 0.00 175.02 175.28 1ukr s TYR 29 N 2.00 2.86 -0.30 4.11 2.02 -0.87 -0.64 117.35 126.53 1ukr s TYR 29 Ca 0.01 -0.70 0.19 0.00 -0.37 0.00 0.00 57.07 56.20 1ukr s TYR 29 Cb -0.12 -1.90 0.48 0.00 -0.40 0.00 0.00 41.96 40.02 1ukr s TYR 29 CO -0.05 -0.28 1.05 -2.67 -1.57 0.00 0.00 175.55 172.03 1ukr n TRP 30 N 3.78 1.45 0.29 2.71 2.14 -0.14 -0.81 117.44 126.86 1ukr n TRP 30 Ca -0.18 -2.48 0.07 0.00 2.07 0.00 0.00 57.50 56.98 1ukr n TRP 30 Cb 0.52 -0.29 0.33 0.00 -0.81 0.00 0.00 31.31 31.06 1ukr n TRP 30 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1ukr n GLU 31 N -0.37 0.07 0.00 -2.67 1.02 -1.08 -0.87 120.64 116.74 1ukr n GLU 31 Ca 0.12 0.42 0.12 0.00 -0.02 0.00 0.00 57.16 57.80 1ukr n GLU 31 Cb 0.81 -1.67 0.14 0.00 -0.02 0.00 0.00 31.44 30.70 1ukr n GLU 31 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1ukr n ASP 32 N -1.82 1.54 0.00 1.62 8.00 -1.26 -4.72 116.55 119.92 1ukr n ASP 32 Ca 0.01 -1.21 0.00 0.00 0.71 0.00 0.00 54.79 54.30 1ukr n ASP 32 Cb 0.12 0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 1ukr n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ukr n GLY 33 N 1.40 1.22 2.99 0.44 0.00 -0.05 -4.96 105.19 106.22 1ukr n GLY 33 Ca 0.10 -1.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.22 1ukr n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ukr s VAL 34 N -2.98 0.15 -0.04 1.61 1.01 -0.82 -4.96 120.40 114.38 1ukr s VAL 34 Ca 0.00 -0.99 0.12 0.00 0.00 0.00 0.00 61.98 61.11 1ukr s VAL 34 Cb 0.00 -0.38 0.22 0.00 0.00 0.00 0.00 36.38 36.23 1ukr s VAL 34 CO 0.00 -0.53 1.10 -1.54 0.00 0.00 0.00 175.10 174.13 1ukr n SER 35 N 1.48 0.83 -3.85 3.32 3.41 -1.26 -3.42 113.62 114.13 1ukr n SER 35 Ca -0.23 -2.35 -0.09 0.00 -0.26 0.00 0.00 58.87 55.94 1ukr n SER 35 Cb 0.55 -0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 64.14 1ukr n SER 35 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ukr s SER 36 N -1.82 0.09 0.15 4.04 0.15 -1.22 -4.93 113.70 110.15 1ukr s SER 36 Ca 0.19 -0.65 -0.30 0.00 0.70 0.00 0.00 55.95 55.90 1ukr s SER 36 Cb 0.20 0.36 -0.07 0.00 -1.71 0.00 0.00 66.02 64.80 1ukr s SER 36 CO -0.06 -0.75 1.16 -0.62 1.20 0.00 0.00 173.24 174.17 1ukr s ASP 37 N -2.87 7.16 0.09 5.45 2.15 -1.26 -4.34 116.67 123.05 1ukr s ASP 37 Ca 0.06 2.11 0.06 0.00 0.43 0.00 0.00 52.55 55.21 1ukr s ASP 37 Cb 0.04 -2.60 -0.03 0.00 -0.30 0.00 0.00 42.92 40.04 1ukr s ASP 37 CO -0.10 -0.34 -0.15 0.72 -0.17 0.00 0.00 175.17 175.13 1ukr s PHE 38 N 0.19 1.32 -0.11 -5.34 -0.12 -0.54 -4.69 117.98 108.70 1ukr s PHE 38 Ca 0.53 -0.49 -0.03 0.00 -0.05 0.00 0.00 56.93 56.90 1ukr s PHE 38 Cb -0.30 -0.73 0.04 0.00 -0.63 0.00 0.00 43.02 41.40 1ukr s PHE 38 CO 0.34 0.09 0.05 0.08 -0.05 0.00 0.00 175.22 175.73 1ukr s VAL 39 N -1.53 0.16 0.11 -2.49 1.01 -0.56 -2.41 120.40 114.68 1ukr s VAL 39 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.06 1ukr s VAL 39 Cb -0.08 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1ukr s VAL 39 CO 0.03 0.01 -0.15 0.68 0.00 0.00 0.00 175.10 175.66 1ukr s VAL 40 N 2.05 1.35 -3.02 2.92 -7.23 -0.62 -0.97 120.40 114.88 1ukr s VAL 40 Ca 0.03 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 1ukr s VAL 40 Cb -0.14 -1.44 0.00 0.00 0.56 0.00 0.00 36.38 35.36 1ukr s VAL 40 CO -0.06 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.02 1ukr n GLY 41 N 0.76 -1.72 3.22 2.32 0.00 -0.74 -1.20 105.19 107.83 1ukr n GLY 41 Ca -0.17 -1.12 -0.21 0.00 0.00 0.00 0.00 46.02 44.52 1ukr n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ukr s LEU 42 N 0.00 2.28 0.00 0.99 1.43 -1.06 -0.77 118.68 121.56 1ukr s LEU 42 Ca 0.00 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1ukr s LEU 42 Cb 0.00 -0.68 0.00 0.00 0.03 0.00 0.00 46.19 45.54 1ukr s LEU 42 CO 0.00 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.17 1ukr n GLY 43 N 1.21 -1.03 3.08 -3.19 0.00 -0.50 -1.55 105.19 103.21 1ukr n GLY 43 Ca -0.20 0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 1ukr n GLY 43 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ukr s TRP 44 N -3.70 0.98 0.36 1.61 0.51 -0.18 -1.43 118.94 117.08 1ukr s TRP 44 Ca 0.00 -0.28 0.22 0.00 -2.12 0.00 0.00 56.10 53.92 1ukr s TRP 44 Cb 0.00 -0.60 1.12 0.00 -0.81 0.00 0.00 33.47 33.18 1ukr s TRP 44 CO 0.00 -0.00 1.96 1.79 -0.51 0.00 0.00 176.95 180.18 1ukr h THR 45 N 4.69 0.80 -3.22 2.01 1.35 -1.86 -1.68 112.91 115.01 1ukr h THR 45 Ca -0.34 -0.85 -0.56 0.00 -0.55 0.00 0.00 66.41 64.11 1ukr h THR 45 Cb 1.18 1.51 -0.36 0.00 -1.73 0.00 0.00 68.15 68.76 1ukr h THR 45 CO 0.46 0.21 -0.82 -0.89 -0.25 0.00 0.00 175.52 174.23 1ukr s THR 46 N -4.14 1.30 0.91 6.82 2.01 -1.26 -2.80 115.64 118.49 1ukr s THR 46 Ca -0.02 -0.50 -0.12 0.00 0.31 0.00 0.00 61.69 61.36 1ukr s THR 46 Cb 0.13 -1.24 0.14 0.00 0.01 0.00 0.00 72.50 71.54 1ukr s THR 46 CO 0.64 0.41 1.11 -0.83 -0.69 0.00 0.00 174.62 175.26 1ukr s GLY 47 N 1.31 1.59 0.36 4.40 0.00 0.32 -4.77 107.32 110.51 1ukr s GLY 47 Ca -0.01 -0.38 -0.12 0.00 0.00 0.00 0.00 44.72 44.21 1ukr s GLY 47 CO -0.05 0.16 0.68 -1.35 0.00 0.00 0.00 173.10 172.53 1ukr s SER 48 N -3.81 0.25 -0.03 1.64 1.04 -1.26 -4.79 113.70 106.75 1ukr s SER 48 Ca 0.64 -1.20 0.15 0.00 0.48 0.00 0.00 55.95 56.02 1ukr s SER 48 Cb -0.16 0.78 0.48 0.00 0.10 0.00 0.00 66.02 67.22 1ukr s SER 48 CO 0.55 -1.52 1.39 -1.54 0.98 0.00 0.00 173.24 173.09 1ukr n SER 49 N -1.29 3.06 -4.75 7.02 3.41 -1.26 -4.94 113.62 114.87 1ukr n SER 49 Ca -0.05 -2.10 -0.36 0.00 -0.26 0.00 0.00 58.87 56.10 1ukr n SER 49 Cb 0.60 -0.40 0.04 0.00 -0.26 0.00 0.00 64.21 64.19 1ukr n SER 49 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ukr s ASN 50 N -0.93 5.17 0.44 4.04 0.02 -1.26 -2.86 114.94 119.56 1ukr s ASN 50 Ca 0.36 2.43 -0.24 0.00 -1.02 0.00 0.00 52.86 54.38 1ukr s ASN 50 Cb 0.20 -2.60 -0.08 0.00 0.02 0.00 0.00 41.25 38.79 1ukr s ASN 50 CO 0.22 -1.61 1.26 0.00 0.02 0.00 0.00 177.10 176.99 1ukr s ALA 51 N -1.55 3.09 -0.10 0.60 0.00 -1.26 -4.40 121.76 118.13 1ukr s ALA 51 Ca 0.77 1.14 0.04 0.00 0.00 0.00 0.00 51.96 53.91 1ukr s ALA 51 Cb -0.32 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.34 1ukr s ALA 51 CO 0.34 -0.84 -0.23 0.42 0.00 0.00 0.00 175.76 175.45 1ukr s ILE 52 N -1.37 2.17 -0.11 0.00 1.01 -0.59 -4.96 121.20 117.36 1ukr s ILE 52 Ca 0.61 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 60.29 1ukr s ILE 52 Cb -0.35 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.28 1ukr s ILE 52 CO 0.43 0.56 -0.16 -0.89 0.00 0.00 0.00 174.94 174.89 1ukr s THR 53 N 0.29 2.84 0.15 2.92 2.01 -1.26 -0.92 115.64 121.67 1ukr s THR 53 Ca -0.17 -0.75 -0.04 0.00 0.31 0.00 0.00 61.69 61.05 1ukr s THR 53 Cb -0.17 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 1ukr s THR 53 CO 0.08 0.54 0.14 -0.72 -0.69 0.00 0.00 174.62 173.98 1ukr s TYR 54 N 0.15 0.76 -0.07 4.92 1.13 -0.64 -1.15 117.35 122.47 1ukr s TYR 54 Ca -0.08 -1.11 -0.04 0.00 -1.41 0.00 0.00 57.07 54.42 1ukr s TYR 54 Cb -0.15 -0.35 0.03 0.00 -1.10 0.00 0.00 41.96 40.38 1ukr s TYR 54 CO 0.05 -0.61 0.16 0.45 -2.51 0.00 0.00 175.55 173.09 1ukr s SER 55 N -3.04 -0.14 0.05 -0.18 0.15 -0.27 -1.83 113.70 108.43 1ukr s SER 55 Ca 0.24 0.32 -0.09 0.00 0.70 0.00 0.00 55.95 57.13 1ukr s SER 55 Cb 0.06 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1ukr s SER 55 CO 0.03 -0.11 0.18 0.00 1.20 0.00 0.00 173.24 174.54 1ukr s ALA 56 N 0.72 -0.29 -0.22 5.45 0.00 0.79 -0.76 121.76 127.45 1ukr s ALA 56 Ca -0.05 -0.37 -0.05 0.00 0.00 0.00 0.00 51.96 51.48 1ukr s ALA 56 Cb -0.07 0.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 1ukr s ALA 56 CO -0.04 -0.37 0.00 -1.21 0.00 0.00 0.00 175.76 174.14 1ukr s GLU 57 N -2.74 3.52 -0.05 0.00 0.41 -0.17 -4.68 118.70 114.98 1ukr s GLU 57 Ca -0.04 -0.56 -0.02 0.00 -0.41 0.00 0.00 54.97 53.95 1ukr s GLU 57 Cb -0.00 -3.12 0.04 0.00 -1.78 0.00 0.00 34.13 29.26 1ukr s GLU 57 CO -0.05 -0.14 0.10 -0.47 -0.49 0.00 0.00 175.26 174.21 1ukr s TYR 58 N 1.41 -0.07 -0.22 1.61 5.04 -1.26 -1.00 117.35 122.85 1ukr s TYR 58 Ca 0.05 0.38 -0.03 0.00 -2.44 0.00 0.00 57.07 55.03 1ukr s TYR 58 Cb -0.15 -0.25 0.07 0.00 0.35 0.00 0.00 41.96 41.99 1ukr s TYR 58 CO 0.00 -0.18 0.06 0.45 -1.34 0.00 0.00 175.55 174.55 1ukr s SER 59 N 1.63 3.12 -0.03 4.32 0.15 0.11 -5.01 113.70 117.99 1ukr s SER 59 Ca -0.03 -1.00 0.20 0.00 0.70 0.00 0.00 55.95 55.82 1ukr s SER 59 Cb -0.12 -0.58 0.34 0.00 -1.71 0.00 0.00 66.02 63.95 1ukr s SER 59 CO -0.05 -0.34 1.14 0.00 1.20 0.00 0.00 173.24 175.19 1ukr n ALA 60 N 5.06 2.71 -2.10 5.45 0.00 -1.26 -1.55 120.51 128.82 1ukr n ALA 60 Ca -0.07 -1.97 -0.41 0.00 0.00 0.00 0.00 53.44 50.98 1ukr n ALA 60 Cb 0.46 -0.66 -0.03 0.00 0.00 0.00 0.00 19.45 19.22 1ukr n ALA 60 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ukr s SER 61 N -1.88 7.09 0.00 0.00 1.04 -1.26 -1.27 113.70 117.41 1ukr s SER 61 Ca 0.25 2.20 0.00 0.00 0.48 0.00 0.00 55.95 58.89 1ukr s SER 61 Cb 0.30 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.82 1ukr s SER 61 CO -0.12 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1ukr n GLY 62 N 2.33 1.10 3.52 7.32 0.00 -1.26 -4.78 105.19 113.43 1ukr n GLY 62 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1ukr n GLY 62 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ukr s SER 63 N -3.08 4.95 -0.80 1.61 0.15 -0.40 -4.26 113.70 111.87 1ukr s SER 63 Ca 0.00 -0.10 -0.26 0.00 0.70 0.00 0.00 55.95 56.30 1ukr s SER 63 Cb 0.00 -1.82 0.02 0.00 -1.71 0.00 0.00 66.02 62.51 1ukr s SER 63 CO 0.00 0.16 1.52 0.00 1.20 0.00 0.00 173.24 176.12 1ukr s ALA 64 N 0.41 2.49 0.07 5.45 0.00 -1.08 -1.95 121.76 127.16 1ukr s ALA 64 Ca -0.02 -1.46 -0.09 0.00 0.00 0.00 0.00 51.96 50.38 1ukr s ALA 64 Cb -0.14 -4.37 0.00 0.00 0.00 0.00 0.00 23.12 18.61 1ukr s ALA 64 CO 0.02 -3.68 0.21 0.45 0.00 0.00 0.00 175.76 172.76 1ukr s SER 65 N 5.46 0.07 0.02 0.00 0.15 -1.26 -1.48 113.70 116.66 1ukr s SER 65 Ca 0.49 -0.54 0.02 0.00 0.70 0.00 0.00 55.95 56.62 1ukr s SER 65 Cb -0.07 0.33 -0.01 0.00 -1.71 0.00 0.00 66.02 64.56 1ukr s SER 65 CO 0.08 -0.68 -0.07 -0.31 1.20 0.00 0.00 173.24 173.46 1ukr s TYR 66 N -3.45 0.59 -0.31 3.44 2.02 -0.29 -1.40 117.35 117.96 1ukr s TYR 66 Ca 0.02 -0.27 -0.07 0.00 -0.37 0.00 0.00 57.07 56.38 1ukr s TYR 66 Cb 0.03 -0.37 0.02 0.00 -0.40 0.00 0.00 41.96 41.24 1ukr s TYR 66 CO -0.09 -0.04 0.10 -1.17 -1.57 0.00 0.00 175.55 172.78 1ukr s LEU 67 N -0.75 4.04 0.06 -1.29 2.96 -0.34 -1.87 118.68 121.48 1ukr s LEU 67 Ca -0.03 -0.84 -0.11 0.00 -0.22 0.00 0.00 54.13 52.93 1ukr s LEU 67 Cb -0.05 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.76 1ukr s LEU 67 CO 0.00 -0.24 0.24 0.00 -1.32 0.00 0.00 176.35 175.03 1ukr s ALA 68 N 1.48 -0.46 -0.05 5.97 0.00 -0.60 -1.54 121.76 126.56 1ukr s ALA 68 Ca 0.01 -0.26 -0.23 0.00 0.00 0.00 0.00 51.96 51.49 1ukr s ALA 68 Cb -0.18 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 1ukr s ALA 68 CO 0.03 -0.43 0.68 0.08 0.00 0.00 0.00 175.76 176.12 1ukr s VAL 69 N -2.93 5.00 0.02 0.00 1.01 -0.51 -0.70 120.40 122.30 1ukr s VAL 69 Ca -0.02 1.40 0.01 0.00 0.00 0.00 0.00 61.98 63.37 1ukr s VAL 69 Cb 0.01 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 1ukr s VAL 69 CO -0.06 0.29 -0.05 -0.47 0.00 0.00 0.00 175.10 174.82 1ukr s TYR 70 N 0.55 0.41 -0.04 5.22 5.04 -0.08 -0.90 117.35 127.56 1ukr s TYR 70 Ca 0.36 -0.40 -0.13 0.00 -2.44 0.00 0.00 57.07 54.46 1ukr s TYR 70 Cb -0.18 -0.26 0.04 0.00 0.35 0.00 0.00 41.96 41.91 1ukr s TYR 70 CO 0.18 -0.10 0.58 0.41 -1.34 0.00 0.00 175.55 175.28 1ukr n GLY 71 N 1.91 0.26 3.08 8.97 0.00 -1.05 -0.63 105.19 117.73 1ukr n GLY 71 Ca -0.21 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 1ukr n GLY 71 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ukr s TRP 72 N -2.02 0.60 -0.07 1.61 0.52 -0.94 -1.58 118.94 117.06 1ukr s TRP 72 Ca 0.14 -0.79 0.06 0.00 0.02 0.00 0.00 56.10 55.52 1ukr s TRP 72 Cb -0.00 -0.38 -0.01 0.00 -1.15 0.00 0.00 33.47 31.93 1ukr s TRP 72 CO -0.01 -0.21 -0.25 0.08 0.02 0.00 0.00 176.95 176.58 1ukr s VAL 73 N -2.78 2.08 0.01 4.03 1.01 0.47 -0.91 120.40 124.31 1ukr s VAL 73 Ca -0.00 -1.05 -0.25 0.00 0.00 0.00 0.00 61.98 60.68 1ukr s VAL 73 Cb -0.00 -1.76 -0.17 0.00 0.00 0.00 0.00 36.38 34.45 1ukr s VAL 73 CO -0.04 0.57 1.27 0.78 0.00 0.00 0.00 175.10 177.68 1ukr h ASN 74 N 6.21 -0.35 -3.50 3.32 2.35 -1.27 -2.36 115.58 119.98 1ukr h ASN 74 Ca -0.29 -0.17 -0.21 0.00 -0.55 0.00 0.00 56.30 55.08 1ukr h ASN 74 Cb 1.19 0.09 -0.30 0.00 0.05 0.00 0.00 38.32 39.35 1ukr h ASN 74 CO 0.47 -0.00 -0.54 -0.47 -1.65 0.00 0.00 177.43 175.24 1ukr s TYR 75 N -4.78 -0.22 0.29 1.19 5.04 -1.26 -2.99 117.35 114.62 1ukr s TYR 75 Ca -0.14 0.57 -0.30 0.00 -2.44 0.00 0.00 57.07 54.75 1ukr s TYR 75 Cb 0.02 -0.01 -0.12 0.00 0.35 0.00 0.00 41.96 42.21 1ukr s TYR 75 CO 0.56 -0.17 1.55 -2.30 -1.34 0.00 0.00 175.55 173.85 1ukr n PRO 76 N 3.90 2.55 -1.92 4.97 -0.02 -1.26 -4.83 135.00 138.39 1ukr n PRO 76 Ca -0.23 0.91 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 1ukr n PRO 76 Cb 0.54 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 1ukr n PRO 76 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1ukr s GLN 77 N -0.58 4.18 -0.06 -0.52 0.74 -1.16 -4.71 119.66 117.55 1ukr s GLN 77 Ca 0.64 2.31 -0.05 0.00 0.05 0.00 0.00 55.36 58.31 1ukr s GLN 77 Cb -0.53 -3.97 0.01 0.00 1.10 0.00 0.00 33.01 29.63 1ukr s GLN 77 CO 0.50 -0.85 0.15 0.00 -0.55 0.00 0.00 175.29 174.53 1ukr s ALA 78 N 3.93 -0.37 -0.15 1.58 0.00 -0.89 -2.31 121.76 123.55 1ukr s ALA 78 Ca 0.77 0.43 -0.07 0.00 0.00 0.00 0.00 51.96 53.09 1ukr s ALA 78 Cb -0.36 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 1ukr s ALA 78 CO 0.33 -0.07 0.09 -2.00 0.00 0.00 0.00 175.76 174.11 1ukr s GLU 79 N 0.09 3.69 0.05 0.00 2.12 -0.17 -0.40 118.70 124.08 1ukr s GLU 79 Ca -0.00 -0.25 0.02 0.00 0.36 0.00 0.00 54.97 55.10 1ukr s GLU 79 Cb -0.01 -3.18 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 1ukr s GLU 79 CO 0.00 0.52 -0.08 1.52 -0.54 0.00 0.00 175.26 176.68 1ukr s TYR 80 N -0.31 0.73 -0.00 5.30 -0.85 -0.62 -1.83 117.35 119.77 1ukr s TYR 80 Ca 0.10 -0.57 0.02 0.00 -0.52 0.00 0.00 57.07 56.09 1ukr s TYR 80 Cb -0.12 -0.43 -0.00 0.00 0.38 0.00 0.00 41.96 41.79 1ukr s TYR 80 CO 0.01 -0.09 -0.05 0.71 -1.52 0.00 0.00 175.55 174.61 1ukr s TYR 81 N -1.76 0.46 -0.35 -3.49 1.51 -0.39 -2.52 117.35 110.82 1ukr s TYR 81 Ca -0.06 -0.10 0.04 0.00 -1.01 0.00 0.00 57.07 55.94 1ukr s TYR 81 Cb -0.07 -0.30 0.10 0.00 -0.11 0.00 0.00 41.96 41.58 1ukr s TYR 81 CO -0.00 -0.01 0.07 0.42 -1.11 0.00 0.00 175.55 174.92 1ukr s ILE 82 N -0.16 2.22 -0.42 2.71 1.01 -0.07 -1.77 121.20 124.71 1ukr s ILE 82 Ca 0.02 -2.38 -0.25 0.00 0.00 0.00 0.00 60.65 58.03 1ukr s ILE 82 Cb -0.02 -2.63 0.02 0.00 0.01 0.00 0.00 42.46 39.84 1ukr s ILE 82 CO -0.00 -0.62 0.92 -0.69 0.00 0.00 0.00 174.94 174.54 1ukr s VAL 83 N 0.84 4.52 -0.00 2.92 1.01 0.35 -1.42 120.40 128.62 1ukr s VAL 83 Ca 0.11 0.92 -0.05 0.00 0.00 0.00 0.00 61.98 62.97 1ukr s VAL 83 Cb -0.20 -4.39 -0.29 0.00 0.00 0.00 0.00 36.38 31.51 1ukr s VAL 83 CO -0.08 -0.71 0.85 -0.33 0.00 0.00 0.00 175.10 174.83 1ukr h GLU 84 N 8.83 0.29 -3.44 2.72 4.39 -1.58 -1.00 114.58 124.80 1ukr h GLU 84 Ca -0.24 -0.50 -0.06 0.00 0.34 0.00 0.00 59.36 58.90 1ukr h GLU 84 Cb 1.08 0.19 -0.14 0.00 -0.10 0.00 0.00 28.75 29.78 1ukr h GLU 84 CO 1.00 1.17 -0.14 0.34 -1.16 0.00 0.00 179.01 180.23 1ukr s ASP 85 N -7.07 -0.17 0.32 1.42 -1.08 -1.19 -1.97 116.67 106.93 1ukr s ASP 85 Ca -0.10 -0.35 -0.19 0.00 -0.52 0.00 0.00 52.55 51.39 1ukr s ASP 85 Cb 0.06 0.44 0.03 0.00 -1.46 0.00 0.00 42.92 42.00 1ukr s ASP 85 CO 0.86 -0.81 0.75 -0.72 0.52 0.00 0.00 175.17 175.77 1ukr s TYR 86 N -3.67 -0.06 0.00 -5.34 1.13 -1.26 -1.20 117.35 106.95 1ukr s TYR 86 Ca 0.02 -0.49 0.00 0.00 -1.41 0.00 0.00 57.07 55.20 1ukr s TYR 86 Cb 0.02 0.76 0.00 0.00 -1.10 0.00 0.00 41.96 41.64 1ukr s TYR 86 CO -0.11 -1.37 0.00 0.41 -2.51 0.00 0.00 175.55 171.97 1ukr n GLY 87 N -0.49 0.55 1.11 5.49 0.00 -0.49 -4.88 105.19 106.48 1ukr n GLY 87 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.07 1ukr n GLY 87 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ukr n ASP 88 N 0.00 3.26 -4.12 1.61 9.92 -0.82 -4.84 116.55 121.56 1ukr n ASP 88 Ca 0.00 -1.97 -0.30 0.00 -0.53 0.00 0.00 54.79 51.99 1ukr n ASP 88 Cb 0.00 -0.32 -0.17 0.00 -0.64 0.00 0.00 41.12 39.99 1ukr n ASP 88 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1ukr s TYR 89 N -1.36 2.32 -0.31 1.24 5.04 -1.26 -4.99 117.35 118.03 1ukr s TYR 89 Ca 0.40 -1.12 -0.09 0.00 -2.44 0.00 0.00 57.07 53.83 1ukr s TYR 89 Cb 0.22 -1.61 0.00 0.00 0.35 0.00 0.00 41.96 40.92 1ukr s TYR 89 CO 0.30 -0.53 0.13 1.21 -1.34 0.00 0.00 175.55 175.32 1ukr s ASN 90 N 0.87 5.40 0.49 4.32 3.84 -1.26 -4.84 114.94 123.76 1ukr s ASN 90 Ca -0.08 -0.64 0.17 0.00 0.21 0.00 0.00 52.86 52.53 1ukr s ASN 90 Cb -0.15 -1.96 1.21 0.00 -0.55 0.00 0.00 41.25 39.80 1ukr s ASN 90 CO -0.01 -0.21 2.09 1.55 -2.79 0.00 0.00 177.10 177.73 1ukr h PRO 91 N 8.31 0.00 0.00 0.43 0.13 -2.00 -2.53 132.00 136.34 1ukr h PRO 91 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1ukr h PRO 91 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1ukr h PRO 91 CO 0.61 0.08 0.00 0.00 -0.23 0.00 0.00 178.00 178.47 1ukr h SER 93 N 0.00 0.30 0.00 0.00 4.64 -1.88 -3.05 113.55 113.55 1ukr h SER 93 Ca 0.00 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 1ukr h SER 93 Cb 0.60 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 1ukr h SER 93 CO 0.00 0.22 -1.96 -1.20 -0.87 0.00 0.00 176.83 173.02 1ukr n SER 94 N -4.49 0.66 -4.86 4.97 7.64 -1.14 -5.04 113.62 111.35 1ukr n SER 94 Ca 0.01 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.66 1ukr n SER 94 Cb 0.07 1.63 0.07 0.00 -1.01 0.00 0.00 64.21 64.97 1ukr n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ukr s ALA 95 N -3.09 3.68 -0.22 -0.43 0.00 -1.09 -5.02 121.76 115.60 1ukr s ALA 95 Ca -0.07 -1.39 -0.29 0.00 0.00 0.00 0.00 51.96 50.21 1ukr s ALA 95 Cb 0.10 -2.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 1ukr s ALA 95 CO 0.77 -1.10 1.53 0.99 0.00 0.00 0.00 175.76 177.95 1ukr s THR 96 N -2.99 3.82 0.37 0.00 2.01 -0.64 -4.83 115.64 113.38 1ukr s THR 96 Ca 0.61 0.94 -0.27 0.00 0.31 0.00 0.00 61.69 63.28 1ukr s THR 96 Cb -0.09 -3.80 -0.09 0.00 0.01 0.00 0.00 72.50 68.53 1ukr s THR 96 CO 0.42 -0.30 1.21 -0.55 -0.69 0.00 0.00 174.62 174.71 1ukr s SER 97 N 3.70 6.63 0.00 3.53 0.15 -1.26 -0.78 113.70 125.67 1ukr s SER 97 Ca 0.67 2.46 0.00 0.00 0.70 0.00 0.00 55.95 59.78 1ukr s SER 97 Cb -0.24 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.45 1ukr s SER 97 CO 0.27 -0.61 0.00 -0.11 1.20 0.00 0.00 173.24 173.99 1ukr n LEU 98 N 0.38 0.00 0.00 3.45 7.94 -0.19 -4.89 117.00 123.69 1ukr n LEU 98 Ca 0.03 -0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 1ukr n LEU 98 Cb 0.45 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.40 1ukr n LEU 98 CO 0.54 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.43 1ukr n GLY 99 N 2.33 0.69 2.98 -3.96 0.00 -1.18 -4.98 105.19 101.08 1ukr n GLY 99 Ca 0.00 -1.68 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 1ukr n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ukr s THR 100 N -3.39 0.02 0.08 2.61 2.01 -1.26 -1.63 115.64 114.07 1ukr s THR 100 Ca 0.00 -0.16 0.08 0.00 0.31 0.00 0.00 61.69 61.91 1ukr s THR 100 Cb 0.00 -0.17 -0.03 0.00 0.01 0.00 0.00 72.50 72.31 1ukr s THR 100 CO 0.00 -0.09 -0.20 0.54 -0.69 0.00 0.00 174.62 174.18 1ukr s VAL 101 N -0.26 1.65 -0.12 3.82 0.11 -0.91 -4.96 120.40 119.73 1ukr s VAL 101 Ca -0.03 -1.38 -0.01 0.00 -2.93 0.00 0.00 61.98 57.63 1ukr s VAL 101 Cb -0.02 -1.47 -0.02 0.00 -1.53 0.00 0.00 36.38 33.33 1ukr s VAL 101 CO 0.00 0.04 -0.09 -0.47 -3.33 0.00 0.00 175.10 171.25 1ukr s TYR 102 N -1.01 2.89 -0.22 1.54 5.04 -1.26 -0.54 117.35 123.79 1ukr s TYR 102 Ca 0.06 -0.37 -0.27 0.00 -2.44 0.00 0.00 57.07 54.05 1ukr s TYR 102 Cb -0.09 -1.84 0.10 0.00 0.35 0.00 0.00 41.96 40.48 1ukr s TYR 102 CO 0.03 -0.02 0.90 0.45 -1.34 0.00 0.00 175.55 175.57 1ukr s SER 103 N 0.05 -0.53 -1.67 4.32 0.15 -0.04 -4.98 113.70 110.99 1ukr s SER 103 Ca -0.03 0.87 -0.13 0.00 0.70 0.00 0.00 55.95 57.36 1ukr s SER 103 Cb -0.14 0.83 0.12 0.00 -1.71 0.00 0.00 66.02 65.13 1ukr s SER 103 CO 0.04 -0.29 0.54 0.47 1.20 0.00 0.00 173.24 175.20 1ukr n ASP 104 N 1.79 -1.66 0.00 5.45 8.00 -1.26 -1.72 116.55 127.15 1ukr n ASP 104 Ca -0.13 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.25 1ukr n ASP 104 Cb 0.56 -2.31 0.00 0.00 -0.02 0.00 0.00 41.12 39.35 1ukr n ASP 104 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ukr n GLY 105 N -1.62 0.82 3.42 0.44 0.00 -1.26 -4.97 105.19 102.02 1ukr n GLY 105 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1ukr n GLY 105 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ukr s SER 106 N -2.07 -0.56 0.45 1.61 0.15 -0.70 -5.00 113.70 107.59 1ukr s SER 106 Ca 0.00 0.04 -0.09 0.00 0.70 0.00 0.00 55.95 56.60 1ukr s SER 106 Cb 0.00 0.59 -0.05 0.00 -1.71 0.00 0.00 66.02 64.85 1ukr s SER 106 CO 0.00 -0.93 0.80 0.42 1.20 0.00 0.00 173.24 174.73 1ukr s THR 107 N -3.55 4.82 -0.07 6.45 -4.23 -1.26 -0.86 115.64 116.95 1ukr s THR 107 Ca 0.00 0.49 0.02 0.00 -1.18 0.00 0.00 61.69 61.02 1ukr s THR 107 Cb -0.01 -3.79 0.01 0.00 1.34 0.00 0.00 72.50 70.05 1ukr s THR 107 CO -0.11 -0.70 -0.11 -0.31 -0.54 0.00 0.00 174.62 172.84 1ukr s TYR 108 N -2.59 1.41 0.28 3.99 1.51 0.29 -1.51 117.35 120.74 1ukr s TYR 108 Ca 0.50 -0.52 -0.29 0.00 -1.01 0.00 0.00 57.07 55.75 1ukr s TYR 108 Cb -0.10 -1.05 -0.10 0.00 -0.11 0.00 0.00 41.96 40.60 1ukr s TYR 108 CO 0.38 -0.28 1.24 -0.65 -1.11 0.00 0.00 175.55 175.13 1ukr s GLN 109 N 0.73 4.45 -0.08 -0.62 -0.21 -0.27 -2.13 119.66 121.53 1ukr s GLN 109 Ca -0.13 2.04 0.05 0.00 0.02 0.00 0.00 55.36 57.34 1ukr s GLN 109 Cb -0.16 -3.14 -0.01 0.00 1.00 0.00 0.00 33.01 30.71 1ukr s GLN 109 CO 0.03 -0.08 -0.24 0.08 -2.12 0.00 0.00 175.29 172.96 1ukr s VAL 110 N -0.80 2.10 0.24 1.09 1.01 -0.65 -0.30 120.40 123.10 1ukr s VAL 110 Ca 0.50 -1.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 1ukr s VAL 110 Cb -0.36 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 1ukr s VAL 110 CO 0.45 0.56 0.36 0.00 0.00 0.00 0.00 175.10 176.48 1ukr s THR 112 N -3.99 0.19 0.14 0.00 -1.32 0.04 -1.22 115.64 109.49 1ukr s THR 112 Ca 0.29 -1.59 -0.17 0.00 -1.21 0.00 0.00 61.69 59.00 1ukr s THR 112 Cb 0.02 -1.30 0.04 0.00 -1.51 0.00 0.00 72.50 69.75 1ukr s THR 112 CO 0.11 -0.88 0.46 -0.62 -2.21 0.00 0.00 174.62 171.48 1ukr s ASP 113 N -2.68 -0.30 -0.12 8.08 2.15 -0.89 -1.62 116.67 121.30 1ukr s ASP 113 Ca 0.03 -0.29 0.03 0.00 0.43 0.00 0.00 52.55 52.75 1ukr s ASP 113 Cb 0.05 0.51 0.01 0.00 -0.30 0.00 0.00 42.92 43.19 1ukr s ASP 113 CO -0.09 -0.91 -0.22 -0.89 -0.17 0.00 0.00 175.17 172.90 1ukr s THR 114 N -3.81 1.96 -0.23 1.71 2.01 -1.26 -0.67 115.64 115.35 1ukr s THR 114 Ca 0.04 -0.94 -0.07 0.00 0.31 0.00 0.00 61.69 61.03 1ukr s THR 114 Cb 0.01 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 1ukr s THR 114 CO -0.10 0.53 0.06 -0.13 -0.69 0.00 0.00 174.62 174.29 1ukr s ARG 115 N 0.61 3.71 -0.10 4.92 1.81 -0.39 -5.00 118.95 124.50 1ukr s ARG 115 Ca -0.13 -0.46 -0.02 0.00 -1.72 0.00 0.00 55.73 53.40 1ukr s ARG 115 Cb -0.17 -3.27 -0.03 0.00 -0.45 0.00 0.00 34.95 31.04 1ukr s ARG 115 CO 0.03 -0.07 -0.03 0.95 -0.68 0.00 0.00 175.30 175.50 1ukr s THR 116 N 1.29 4.03 -1.11 0.02 -4.23 -1.26 -1.22 115.64 113.16 1ukr s THR 116 Ca 0.05 -0.34 -0.24 0.00 -1.18 0.00 0.00 61.69 59.98 1ukr s THR 116 Cb -0.15 -2.71 0.02 0.00 1.34 0.00 0.00 72.50 71.01 1ukr s THR 116 CO 0.03 0.56 0.70 0.59 -0.54 0.00 0.00 174.62 175.96 1ukr n ASN 117 N 2.63 -4.67 -4.24 3.99 3.02 -0.88 -4.89 115.26 110.22 1ukr n ASN 117 Ca -0.18 -1.14 -0.14 0.00 -0.03 0.00 0.00 54.58 53.09 1ukr n ASN 117 Cb 0.53 -2.17 -0.10 0.00 -0.61 0.00 0.00 39.78 37.43 1ukr n ASN 117 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ukr s GLU 118 N -6.51 1.03 0.22 3.52 2.02 -0.42 -4.80 118.70 113.77 1ukr s GLU 118 Ca 0.39 -1.42 -0.32 0.00 0.02 0.00 0.00 54.97 53.64 1ukr s GLU 118 Cb -0.19 -0.61 -0.13 0.00 0.10 0.00 0.00 34.13 33.30 1ukr s GLU 118 CO 0.93 0.07 1.50 -2.30 0.02 0.00 0.00 175.26 175.48 1ukr n PRO 119 N -0.11 2.20 -4.07 0.39 -0.02 -1.26 -1.24 135.00 130.89 1ukr n PRO 119 Ca -0.11 0.79 -0.13 0.00 -2.02 0.00 0.00 63.50 62.03 1ukr n PRO 119 Cb 0.60 -2.50 -0.05 0.00 -0.02 0.00 0.00 33.50 31.53 1ukr n PRO 119 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1ukr s SER 120 N 0.54 0.61 0.00 2.55 1.04 -0.42 -4.89 113.70 113.13 1ukr s SER 120 Ca 0.71 -1.35 0.04 0.00 0.48 0.00 0.00 55.95 55.84 1ukr s SER 120 Cb -0.63 0.63 0.24 0.00 0.10 0.00 0.00 66.02 66.36 1ukr s SER 120 CO 0.45 -1.24 0.87 2.30 0.98 0.00 0.00 173.24 176.60 1ukr n ILE 121 N -0.50 0.57 -0.16 -1.02 -5.35 -1.26 -1.36 119.36 110.28 1ukr n ILE 121 Ca 0.00 0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.63 1ukr n ILE 121 Cb 0.62 -1.07 0.00 0.00 -1.74 0.00 0.00 39.64 37.45 1ukr n ILE 121 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1ukr n THR 122 N -1.17 0.92 0.00 7.28 -2.24 -1.26 -5.07 114.28 112.74 1ukr n THR 122 Ca 0.03 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 1ukr n THR 122 Cb 0.03 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1ukr n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ukr n GLY 123 N -0.48 1.57 2.80 3.38 0.00 -0.47 -4.90 105.19 107.11 1ukr n GLY 123 Ca 0.01 -0.84 -0.18 0.00 0.00 0.00 0.00 46.02 45.01 1ukr n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ukr s THR 124 N 0.00 0.21 0.19 2.61 2.01 -1.26 -1.30 115.64 118.10 1ukr s THR 124 Ca 0.00 0.10 -0.22 0.00 0.31 0.00 0.00 61.69 61.88 1ukr s THR 124 Cb 0.00 -0.32 0.08 0.00 0.01 0.00 0.00 72.50 72.26 1ukr s THR 124 CO 0.00 0.17 1.04 -0.94 -0.69 0.00 0.00 174.62 174.20 1ukr s SER 125 N 1.25 0.01 -0.19 3.53 1.04 -0.38 -4.85 113.70 114.11 1ukr s SER 125 Ca -0.07 -0.68 -0.10 0.00 0.48 0.00 0.00 55.95 55.59 1ukr s SER 125 Cb -0.13 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.44 1ukr s SER 125 CO -0.02 -1.00 0.13 -0.89 0.98 0.00 0.00 173.24 172.44 1ukr s THR 126 N -2.15 5.39 0.16 2.02 2.01 -1.26 -1.30 115.64 120.52 1ukr s THR 126 Ca 0.22 0.18 -0.12 0.00 0.31 0.00 0.00 61.69 62.28 1ukr s THR 126 Cb -0.03 -3.45 0.01 0.00 0.01 0.00 0.00 72.50 69.04 1ukr s THR 126 CO 0.05 0.46 0.36 0.72 -0.69 0.00 0.00 174.62 175.52 1ukr s PHE 127 N 0.21 0.17 -0.00 4.92 -0.71 -0.36 -4.91 117.98 117.29 1ukr s PHE 127 Ca 0.09 -0.53 -0.03 0.00 -1.04 0.00 0.00 56.93 55.41 1ukr s PHE 127 Cb -0.11 0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.76 1ukr s PHE 127 CO -0.01 -0.76 0.19 0.99 -1.34 0.00 0.00 175.22 174.29 1ukr s THR 128 N -3.92 5.42 -0.06 -4.49 2.01 -0.98 -1.26 115.64 112.37 1ukr s THR 128 Ca 0.12 -0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.02 1ukr s THR 128 Cb 0.02 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.96 1ukr s THR 128 CO -0.03 0.32 -0.14 -1.10 -0.69 0.00 0.00 174.62 172.98 1ukr s GLN 129 N -1.95 2.58 -0.06 4.92 -0.21 0.15 -1.00 119.66 124.08 1ukr s GLN 129 Ca 0.28 -0.70 0.06 0.00 0.02 0.00 0.00 55.36 55.01 1ukr s GLN 129 Cb -0.13 -2.39 -0.01 0.00 1.00 0.00 0.00 33.01 31.48 1ukr s GLN 129 CO 0.19 0.58 -0.24 0.71 -2.12 0.00 0.00 175.29 174.41 1ukr s TYR 130 N -0.62 2.41 -0.02 0.91 2.02 -0.76 -2.08 117.35 119.20 1ukr s TYR 130 Ca 0.09 -0.75 0.03 0.00 -0.37 0.00 0.00 57.07 56.07 1ukr s TYR 130 Cb -0.11 -1.59 -0.00 0.00 -0.40 0.00 0.00 41.96 39.86 1ukr s TYR 130 CO 0.01 -0.24 -0.11 -0.06 -1.57 0.00 0.00 175.55 173.57 1ukr s PHE 131 N -0.09 1.12 -0.23 2.71 0.40 -0.36 -1.26 117.98 120.28 1ukr s PHE 131 Ca -0.06 -0.26 -0.00 0.00 -0.60 0.00 0.00 56.93 56.01 1ukr s PHE 131 Cb -0.14 -0.76 0.03 0.00 0.51 0.00 0.00 43.02 42.65 1ukr s PHE 131 CO 0.04 -0.08 -0.11 -1.12 0.70 0.00 0.00 175.22 174.65 1ukr s SER 132 N -0.00 3.98 -0.23 1.36 0.01 -0.73 -1.40 113.70 116.70 1ukr s SER 132 Ca -0.00 -0.87 -0.04 0.00 1.31 0.00 0.00 55.95 56.35 1ukr s SER 132 Cb -0.08 -1.59 -0.01 0.00 0.21 0.00 0.00 66.02 64.55 1ukr s SER 132 CO 0.00 -0.09 -0.03 -0.69 0.41 0.00 0.00 173.24 172.84 1ukr s VAL 133 N 1.29 3.46 0.13 3.43 1.01 0.59 -0.50 120.40 129.81 1ukr s VAL 133 Ca 0.00 -0.49 -0.31 0.00 0.00 0.00 0.00 61.98 61.18 1ukr s VAL 133 Cb -0.16 -2.60 -0.09 0.00 0.00 0.00 0.00 36.38 33.54 1ukr s VAL 133 CO -0.07 0.40 1.50 -0.60 0.00 0.00 0.00 175.10 176.33 1ukr s ARG 134 N 1.49 4.26 0.11 2.72 3.52 -0.38 -1.11 118.95 129.55 1ukr s ARG 134 Ca 0.06 2.23 -0.08 0.00 -0.13 0.00 0.00 55.73 57.81 1ukr s ARG 134 Cb -0.14 -3.25 -0.16 0.00 -1.56 0.00 0.00 34.95 29.84 1ukr s ARG 134 CO -0.02 -0.56 1.25 0.93 -0.81 0.00 0.00 175.30 176.09 1ukr h GLU 135 N 7.01 0.50 -3.67 5.12 5.08 -1.62 -3.35 114.58 123.65 1ukr h GLU 135 Ca -0.42 -0.56 -0.74 0.00 -1.00 0.00 0.00 59.36 56.63 1ukr h GLU 135 Cb 1.20 0.16 -0.31 0.00 0.50 0.00 0.00 28.75 30.31 1ukr h GLU 135 CO 0.90 1.19 -0.11 -1.12 -1.00 0.00 0.00 179.01 178.87 1ukr s SER 136 N -7.17 6.04 0.59 1.42 0.01 -1.26 -5.05 113.70 108.28 1ukr s SER 136 Ca -0.07 -2.86 -0.20 0.00 1.31 0.00 0.00 55.95 54.13 1ukr s SER 136 Cb 0.08 -2.03 -0.03 0.00 0.21 0.00 0.00 66.02 64.25 1ukr s SER 136 CO 0.89 -0.45 1.32 0.35 0.41 0.00 0.00 173.24 175.76 1ukr n THR 137 N 3.60 4.34 -4.13 1.44 -2.24 -1.26 -4.99 114.28 111.05 1ukr n THR 137 Ca 0.12 -0.50 -0.11 0.00 -2.27 0.00 0.00 64.05 61.29 1ukr n THR 137 Cb 0.42 -1.57 -0.08 0.00 -2.10 0.00 0.00 70.33 67.00 1ukr n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ukr s ARG 138 N -3.10 1.30 -0.02 -0.78 1.04 -0.83 -5.01 118.95 111.56 1ukr s ARG 138 Ca 0.77 -1.49 0.02 0.00 -1.04 0.00 0.00 55.73 53.99 1ukr s ARG 138 Cb -0.40 0.34 0.04 0.00 -2.04 0.00 0.00 34.95 32.88 1ukr s ARG 138 CO 0.45 -0.47 0.90 0.25 -0.04 0.00 0.00 175.30 176.39 1ukr n THR 139 N -0.30 0.83 -3.66 4.99 -2.24 -1.26 -3.99 114.28 108.65 1ukr n THR 139 Ca 0.00 -0.88 -0.13 0.00 -2.27 0.00 0.00 64.05 60.77 1ukr n THR 139 Cb 0.65 0.52 -0.07 0.00 -2.10 0.00 0.00 70.33 69.33 1ukr n THR 139 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ukr s SER 140 N -1.01 -0.32 0.00 3.42 1.04 -1.26 -0.14 113.70 115.43 1ukr s SER 140 Ca 0.04 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.56 1ukr s SER 140 Cb 0.04 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1ukr s SER 140 CO 0.00 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1ukr n GLY 141 N 0.64 0.16 3.43 7.32 0.00 -0.76 -5.01 105.19 110.97 1ukr n GLY 141 Ca -0.19 -1.59 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 1ukr n GLY 141 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ukr s THR 142 N -2.69 2.77 -0.28 2.61 2.01 -1.26 -1.62 115.64 117.18 1ukr s THR 142 Ca 0.00 -0.88 -0.01 0.00 0.31 0.00 0.00 61.69 61.11 1ukr s THR 142 Cb 0.00 -2.07 0.05 0.00 0.01 0.00 0.00 72.50 70.49 1ukr s THR 142 CO 0.00 0.55 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.76 1ukr s VAL 143 N -0.73 2.83 -1.04 3.82 1.01 -0.09 -4.83 120.40 121.38 1ukr s VAL 143 Ca 0.12 -1.34 -0.19 0.00 0.00 0.00 0.00 61.98 60.56 1ukr s VAL 143 Cb -0.10 -2.59 0.10 0.00 0.00 0.00 0.00 36.38 33.79 1ukr s VAL 143 CO 0.01 -0.02 1.34 -0.89 0.00 0.00 0.00 175.10 175.53 1ukr s THR 144 N 1.25 4.45 0.36 3.92 2.01 -1.26 -1.54 115.64 124.83 1ukr s THR 144 Ca -0.05 -1.51 0.10 0.00 0.31 0.00 0.00 61.69 60.54 1ukr s THR 144 Cb -0.19 -4.93 0.33 0.00 0.01 0.00 0.00 72.50 67.72 1ukr s THR 144 CO -0.02 -1.71 1.85 0.58 -0.69 0.00 0.00 174.62 174.62 1ukr h VAL 145 N 5.94 0.78 -0.74 3.82 2.07 -1.77 -1.89 116.25 124.47 1ukr h VAL 145 Ca 0.22 -0.22 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1ukr h VAL 145 Cb 0.98 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1ukr h VAL 145 CO 1.27 0.12 0.48 0.00 0.02 0.00 0.00 177.57 179.46 1ukr h ALA 146 N 1.61 1.84 -0.16 1.67 0.00 -1.84 -1.64 119.26 120.74 1ukr h ALA 146 Ca 0.48 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.31 1ukr h ALA 146 Cb 0.85 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1ukr h ALA 146 CO -0.23 0.00 -0.21 -0.91 0.00 0.00 0.00 179.25 177.90 1ukr h ASN 147 N 0.63 0.28 0.07 0.00 -0.26 -1.69 -1.05 115.58 113.56 1ukr h ASN 147 Ca 0.34 -0.07 -0.17 0.00 -0.56 0.00 0.00 56.30 55.83 1ukr h ASN 147 Cb 0.48 -0.07 0.02 0.00 -1.06 0.00 0.00 38.32 37.69 1ukr h ASN 147 CO -0.12 0.50 -0.73 0.45 -1.06 0.00 0.00 177.43 176.47 1ukr h HIS 148 N 0.26 0.59 -0.89 1.19 3.86 -1.46 -2.87 115.15 115.83 1ukr h HIS 148 Ca 0.05 -0.37 -0.02 0.00 -1.16 0.00 0.00 60.37 58.87 1ukr h HIS 148 Cb 0.52 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.90 1ukr h HIS 148 CO 0.01 1.24 0.50 0.74 0.86 0.00 0.00 177.93 181.27 1ukr h PHE 149 N -0.22 1.21 -0.17 2.45 -1.00 -1.13 -1.25 116.94 116.83 1ukr h PHE 149 Ca -0.11 -0.03 -0.13 0.00 2.81 0.00 0.00 57.97 60.51 1ukr h PHE 149 Cb 1.50 -0.39 -0.01 0.00 3.61 0.00 0.00 35.95 40.66 1ukr h PHE 149 CO 0.17 0.83 -0.46 -0.91 -1.61 0.00 0.00 178.31 176.33 1ukr h ASN 150 N 1.24 0.46 -0.03 2.17 -0.26 -1.28 -0.89 115.58 116.99 1ukr h ASN 150 Ca 0.31 -0.22 -0.02 0.00 -0.56 0.00 0.00 56.30 55.82 1ukr h ASN 150 Cb 0.01 -0.13 -0.00 0.00 -1.06 0.00 0.00 38.32 37.14 1ukr h ASN 150 CO -0.05 0.86 -0.04 0.15 -1.06 0.00 0.00 177.43 177.29 1ukr h PHE 151 N 0.35 0.10 -0.09 1.19 3.57 -1.23 -3.19 116.94 117.65 1ukr h PHE 151 Ca 0.02 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1ukr h PHE 151 Cb 0.95 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1ukr h PHE 151 CO 0.03 0.58 -0.10 -1.49 -2.23 0.00 0.00 178.31 175.10 1ukr h TRP 152 N -0.40 0.13 0.00 0.41 6.55 -1.20 -2.06 115.95 119.37 1ukr h TRP 152 Ca 0.00 -0.01 -0.00 0.00 0.95 0.00 0.00 58.89 59.83 1ukr h TRP 152 Cb 0.56 -0.04 -0.00 0.00 -0.86 0.00 0.00 29.16 28.82 1ukr h TRP 152 CO 0.10 0.23 -0.02 0.00 -1.05 0.00 0.00 178.44 177.70 1ukr h ALA 153 N 1.78 1.32 0.00 1.49 0.00 -1.14 0.19 119.26 122.90 1ukr h ALA 153 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ukr h ALA 153 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ukr h ALA 153 CO 0.01 0.02 0.00 0.45 0.00 0.00 0.00 179.25 179.73 1ukr h HIS 154 N 0.00 0.00 -0.12 0.00 3.86 -1.44 -3.18 115.15 114.27 1ukr h HIS 154 Ca -0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1ukr h HIS 154 Cb 0.06 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.50 1ukr h HIS 154 CO 0.00 0.00 -0.25 0.72 0.86 0.00 0.00 177.93 179.26 1ukr n HIS 155 N -2.99 0.37 -0.05 2.45 -0.00 0.01 -4.97 115.22 110.03 1ukr n HIS 155 Ca 0.00 -1.38 0.00 0.00 -0.00 0.00 0.00 57.72 56.34 1ukr n HIS 155 Cb 0.27 -0.30 0.00 0.00 -0.00 0.00 0.00 29.99 29.96 1ukr n HIS 155 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ukr n GLY 156 N -1.14 0.47 3.71 -1.41 0.00 -1.16 -5.05 105.19 100.61 1ukr n GLY 156 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1ukr n GLY 156 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ukr s PHE 157 N -2.19 2.88 0.49 1.61 5.36 -0.91 -4.89 117.98 120.33 1ukr s PHE 157 Ca 0.00 0.56 0.16 0.00 -0.96 0.00 0.00 56.93 56.69 1ukr s PHE 157 Cb 0.00 -3.92 1.19 0.00 -0.34 0.00 0.00 43.02 39.95 1ukr s PHE 157 CO 0.00 -3.48 2.06 0.78 -1.46 0.00 0.00 175.22 173.13 1ukr h GLY 158 N 7.34 0.21 -4.19 13.12 0.00 -1.88 -3.37 103.07 114.30 1ukr h GLY 158 Ca -0.43 -0.07 -0.21 0.00 0.00 0.00 0.00 47.33 46.63 1ukr h GLY 158 CO 0.92 0.05 -0.27 -2.01 0.00 0.00 0.00 176.54 175.23 1ukr n ASN 159 N -4.48 -3.30 -3.60 0.19 5.15 -1.26 -4.85 115.26 103.11 1ukr n ASN 159 Ca 0.04 0.21 -0.03 0.00 -0.60 0.00 0.00 54.58 54.19 1ukr n ASN 159 Cb 0.27 -2.83 -0.00 0.00 -0.53 0.00 0.00 39.78 36.68 1ukr n ASN 159 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1ukr s SER 160 N -2.08 -0.11 -1.12 1.20 1.04 -1.26 -5.02 113.70 106.34 1ukr s SER 160 Ca 0.03 -0.50 -0.10 0.00 0.48 0.00 0.00 55.95 55.86 1ukr s SER 160 Cb -0.02 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1ukr s SER 160 CO 0.04 -0.94 0.85 -0.67 0.98 0.00 0.00 173.24 173.50 1ukr n ASP 161 N -0.73 -5.16 -4.75 7.02 2.03 -1.26 -4.70 116.55 109.00 1ukr n ASP 161 Ca -0.05 -0.83 -0.40 0.00 0.52 0.00 0.00 54.79 54.03 1ukr n ASP 161 Cb 0.60 -4.41 -0.06 0.00 -0.72 0.00 0.00 41.12 36.54 1ukr n ASP 161 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1ukr s PHE 162 N -3.45 3.96 0.00 -0.67 0.08 -1.26 -0.84 117.98 115.80 1ukr s PHE 162 Ca 0.38 1.89 0.00 0.00 0.12 0.00 0.00 56.93 59.31 1ukr s PHE 162 Cb -0.09 -2.98 0.00 0.00 -0.57 0.00 0.00 43.02 39.39 1ukr s PHE 162 CO 0.79 0.43 0.00 -1.71 -0.10 0.00 0.00 175.22 174.63 1ukr n ASN 163 N 1.65 0.00 -4.82 1.36 2.85 -0.09 -4.44 115.26 111.77 1ukr n ASN 163 Ca -0.02 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.15 1ukr n ASN 163 Cb 0.47 0.00 0.07 0.00 1.24 0.00 0.00 39.78 41.56 1ukr n ASN 163 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 1ukr s TYR 164 N 3.78 3.03 -0.05 1.20 -0.85 -1.12 -0.52 117.35 122.81 1ukr s TYR 164 Ca 0.00 1.26 -0.02 0.00 -0.52 0.00 0.00 57.07 57.79 1ukr s TYR 164 Cb 0.00 -3.00 0.03 0.00 0.38 0.00 0.00 41.96 39.38 1ukr s TYR 164 CO 0.00 -1.44 0.12 -1.14 -1.52 0.00 0.00 175.55 171.57 1ukr s GLN 165 N -5.13 0.07 0.08 -3.49 0.74 -0.63 -2.21 119.66 109.10 1ukr s GLN 165 Ca 0.59 0.32 -0.01 0.00 0.05 0.00 0.00 55.36 56.31 1ukr s GLN 165 Cb -0.14 -0.17 -0.04 0.00 1.10 0.00 0.00 33.01 33.77 1ukr s GLN 165 CO 0.54 -0.15 -0.01 0.14 -0.55 0.00 0.00 175.29 175.27 1ukr s VAL 166 N 1.03 0.24 -0.21 1.34 -7.23 0.19 -1.01 120.40 114.76 1ukr s VAL 166 Ca -0.08 -1.85 -0.17 0.00 -1.81 0.00 0.00 61.98 58.06 1ukr s VAL 166 Cb -0.11 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.10 1ukr s VAL 166 CO -0.05 -0.83 0.47 -0.69 -0.31 0.00 0.00 175.10 173.69 1ukr s VAL 167 N -3.93 5.14 0.15 1.32 1.01 -0.59 -0.90 120.40 122.60 1ukr s VAL 167 Ca 0.13 0.84 0.05 0.00 0.00 0.00 0.00 61.98 63.00 1ukr s VAL 167 Cb 0.08 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1ukr s VAL 167 CO -0.06 0.19 -0.11 0.00 0.00 0.00 0.00 175.10 175.12 1ukr s ALA 168 N 1.60 1.54 -0.09 5.51 0.00 0.12 -2.57 121.76 127.86 1ukr s ALA 168 Ca 0.22 -1.47 0.03 0.00 0.00 0.00 0.00 51.96 50.74 1ukr s ALA 168 Cb -0.15 0.00 0.00 0.00 0.00 0.00 0.00 23.12 22.98 1ukr s ALA 168 CO 0.09 -0.04 -0.21 0.08 0.00 0.00 0.00 175.76 175.68 1ukr s VAL 169 N -3.04 1.84 0.07 0.00 1.01 -0.34 -1.56 120.40 118.38 1ukr s VAL 169 Ca 0.16 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.32 1ukr s VAL 169 Cb 0.01 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1ukr s VAL 169 CO 0.02 0.51 -0.19 -0.70 0.00 0.00 0.00 175.10 174.74 1ukr s GLU 170 N 0.45 1.14 -0.05 2.72 2.12 -0.78 -1.58 118.70 122.72 1ukr s GLU 170 Ca -0.17 -1.00 -0.30 0.00 0.36 0.00 0.00 54.97 53.86 1ukr s GLU 170 Cb -0.17 -1.29 0.07 0.00 0.26 0.00 0.00 34.13 32.99 1ukr s GLU 170 CO 0.07 0.31 0.65 0.00 -0.54 0.00 0.00 175.26 175.75 1ukr s ALA 171 N -1.01 -1.69 0.00 6.30 0.00 -1.01 -1.14 121.76 123.21 1ukr s ALA 171 Ca 0.05 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1ukr s ALA 171 Cb -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1ukr s ALA 171 CO 0.03 -0.36 0.39 -2.67 0.00 0.00 0.00 175.76 173.15 1ukr n TRP 172 N 0.98 0.00 -3.53 0.00 2.14 -0.55 -1.47 117.44 115.01 1ukr n TRP 172 Ca -0.19 -0.06 -0.08 0.00 2.07 0.00 0.00 57.50 59.24 1ukr n TRP 172 Cb 0.57 -0.01 -0.02 0.00 -0.81 0.00 0.00 31.31 31.04 1ukr n TRP 172 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 1ukr s SER 173 N -0.11 -0.35 0.09 -0.67 1.04 -1.25 -3.46 113.70 108.98 1ukr s SER 173 Ca 0.00 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1ukr s SER 173 Cb 0.00 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1ukr s SER 173 CO 0.00 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1ukr n GLY 174 N -0.29 -2.02 3.30 7.32 0.00 -1.22 -2.62 105.19 109.66 1ukr n GLY 174 Ca -0.09 -1.40 -0.16 0.00 0.00 0.00 0.00 46.02 44.37 1ukr n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukr s ALA 175 N -1.10 1.71 0.00 4.61 0.00 -1.26 -1.94 121.76 123.77 1ukr s ALA 175 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.30 1ukr s ALA 175 Cb 0.00 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.40 1ukr s ALA 175 CO 0.00 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1ukr n GLY 176 N -0.34 -1.06 3.34 0.00 0.00 -1.10 -4.45 105.19 101.58 1ukr n GLY 176 Ca -0.07 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 1ukr n GLY 176 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ukr s SER 177 N -4.00 -0.22 -0.09 1.61 1.04 -0.59 -0.97 113.70 110.49 1ukr s SER 177 Ca 0.00 -0.37 -0.20 0.00 0.48 0.00 0.00 55.95 55.86 1ukr s SER 177 Cb 0.00 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.65 1ukr s SER 177 CO 0.00 -0.88 0.47 0.00 0.98 0.00 0.00 173.24 173.81 1ukr s ALA 178 N -3.82 -1.19 -0.16 5.32 0.00 0.19 -0.71 121.76 121.38 1ukr s ALA 178 Ca 0.04 0.98 -0.04 0.00 0.00 0.00 0.00 51.96 52.94 1ukr s ALA 178 Cb 0.02 -0.28 0.08 0.00 0.00 0.00 0.00 23.12 22.94 1ukr s ALA 178 CO -0.10 -0.28 0.27 0.45 0.00 0.00 0.00 175.76 176.10 1ukr s SER 179 N -0.69 0.54 0.04 0.00 0.15 -0.17 -0.80 113.70 112.77 1ukr s SER 179 Ca -0.08 0.39 0.08 0.00 0.70 0.00 0.00 55.95 57.05 1ukr s SER 179 Cb -0.03 0.71 -0.03 0.00 -1.71 0.00 0.00 66.02 64.96 1ukr s SER 179 CO 0.04 -0.26 -0.23 -0.69 1.20 0.00 0.00 173.24 173.30 1ukr s VAL 180 N 2.42 1.88 -0.06 4.45 1.01 -0.20 -1.00 120.40 128.90 1ukr s VAL 180 Ca 0.04 -1.27 0.03 0.00 0.00 0.00 0.00 61.98 60.78 1ukr s VAL 180 Cb -0.13 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.64 1ukr s VAL 180 CO -0.10 0.29 -0.16 -0.89 0.00 0.00 0.00 175.10 174.24 1ukr s THR 181 N -0.79 1.37 -0.21 3.92 2.01 0.06 -1.64 115.64 120.36 1ukr s THR 181 Ca 0.09 -0.65 -0.05 0.00 0.31 0.00 0.00 61.69 61.39 1ukr s THR 181 Cb -0.09 -1.20 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 1ukr s THR 181 CO 0.02 0.40 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.71 1ukr s ILE 182 N 0.30 3.84 -2.83 1.82 1.01 0.22 -1.12 121.20 124.45 1ukr s ILE 182 Ca -0.09 -0.35 0.25 0.00 0.00 0.00 0.00 60.65 60.46 1ukr s ILE 182 Cb -0.14 -2.74 0.31 0.00 0.01 0.00 0.00 42.46 39.91 1ukr s ILE 182 CO 0.03 0.42 1.43 -1.20 0.00 0.00 0.00 174.94 175.62