#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1axj n LEU 2 N 0.00 4.23 -4.82 4.03 4.32 -1.26 -4.90 117.00 118.60 1axj n LEU 2 Ca 0.00 0.67 -0.30 0.00 -0.02 0.00 0.00 56.01 56.36 1axj n LEU 2 Cb 0.00 -1.46 0.08 0.00 -1.62 0.00 0.00 43.42 40.42 1axj n LEU 2 CO 0.00 -1.75 0.72 -2.16 -1.22 0.00 0.00 177.39 172.97 1axj s PRO 3 N -3.58 2.21 0.23 3.23 0.04 -1.26 -4.98 135.00 130.89 1axj s PRO 3 Ca 0.75 0.61 -0.06 0.00 0.04 0.00 0.00 61.00 62.34 1axj s PRO 3 Cb -0.33 -1.94 0.22 0.00 0.04 0.00 0.00 34.50 32.49 1axj s PRO 3 CO 0.49 -1.52 1.76 0.78 0.04 0.00 0.00 177.00 178.54 1axj h GLY 4 N -1.02 1.12 0.61 0.56 0.00 -2.01 -2.91 103.07 99.42 1axj h GLY 4 Ca -0.47 -0.67 0.10 0.00 0.00 0.00 0.00 47.33 46.29 1axj h GLY 4 CO 0.60 0.63 0.63 -0.84 0.00 0.00 0.00 176.54 177.56 1axj h THR 5 N 0.99 0.98 -0.05 4.70 2.02 -1.99 -1.15 112.91 118.42 1axj h THR 5 Ca 0.21 -0.35 0.03 0.00 0.77 0.00 0.00 66.41 67.08 1axj h THR 5 Cb 0.34 -0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 66.55 1axj h THR 5 CO -0.00 0.19 -0.41 0.15 0.37 0.00 0.00 175.52 175.81 1axj h PHE 6 N 1.02 -1.17 -0.18 3.16 3.04 -1.90 -0.61 116.94 120.31 1axj h PHE 6 Ca 0.46 0.04 0.01 0.00 3.98 0.00 0.00 57.97 62.47 1axj h PHE 6 Cb 0.38 0.52 -0.02 0.00 2.56 0.00 0.00 35.95 39.39 1axj h PHE 6 CO -0.00 -0.48 0.07 0.74 -2.02 0.00 0.00 178.31 176.62 1axj h PHE 7 N -0.54 0.13 -0.90 0.41 0.04 -1.32 -1.07 116.94 113.70 1axj h PHE 7 Ca 0.06 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.86 1axj h PHE 7 Cb 0.64 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.70 1axj h PHE 7 CO -0.44 0.07 0.59 0.93 -0.60 0.00 0.00 178.31 178.86 1axj h GLU 8 N 0.17 1.13 -0.41 1.51 4.39 -1.13 0.00 114.58 120.24 1axj h GLU 8 Ca 0.08 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.56 1axj h GLU 8 Cb 0.03 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 1axj h GLU 8 CO -0.07 0.75 -0.32 0.28 -1.16 0.00 0.00 179.01 178.49 1axj h VAL 9 N 1.16 1.27 -0.55 3.13 2.07 -0.66 -2.76 116.25 119.92 1axj h VAL 9 Ca 0.35 -1.49 0.03 0.00 0.82 0.00 0.00 66.70 66.41 1axj h VAL 9 Cb -0.05 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1axj h VAL 9 CO -0.10 0.50 0.33 -0.07 0.02 0.00 0.00 177.57 178.25 1axj h LEU 10 N 0.77 0.53 -1.83 2.57 -0.00 -0.74 -1.22 115.31 115.40 1axj h LEU 10 Ca 0.08 0.01 0.03 0.00 -0.00 0.00 0.00 57.88 58.00 1axj h LEU 10 Cb 0.90 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.45 1axj h LEU 10 CO 0.08 0.37 0.42 0.11 -0.00 0.00 0.00 178.44 179.42 1axj h LYS 11 N 0.65 0.00 -6.14 1.13 1.57 -0.72 -3.43 116.57 109.62 1axj h LYS 11 Ca 0.22 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.45 1axj h LYS 11 Cb 0.03 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1axj h LYS 11 CO -0.10 0.00 -0.24 -0.80 -0.57 0.00 0.00 179.45 177.73 1axj s ASN 12 N -4.48 4.77 0.06 0.86 0.01 -0.46 -5.09 114.94 110.61 1axj s ASN 12 Ca -0.03 -1.13 -0.31 0.00 -0.71 0.00 0.00 52.86 50.69 1axj s ASN 12 Cb 0.10 0.37 -0.06 0.00 0.41 0.00 0.00 41.25 42.07 1axj s ASN 12 CO 0.31 -1.17 1.23 -0.70 -1.51 0.00 0.00 177.10 175.26 1axj s GLU 13 N -4.39 4.41 0.23 -0.60 2.12 -1.26 -4.74 118.70 114.46 1axj s GLU 13 Ca 0.42 1.81 -0.19 0.00 0.36 0.00 0.00 54.97 57.37 1axj s GLU 13 Cb -0.03 -3.36 0.02 0.00 0.26 0.00 0.00 34.13 31.02 1axj s GLU 13 CO 0.26 -0.31 0.60 0.20 -0.54 0.00 0.00 175.26 175.48 1axj s GLY 14 N 1.13 -0.04 0.01 -1.50 0.00 -1.26 -4.65 107.32 101.01 1axj s GLY 14 Ca 0.59 -0.29 -0.02 0.00 0.00 0.00 0.00 44.72 45.00 1axj s GLY 14 CO 0.29 -0.21 0.16 0.14 0.00 0.00 0.00 173.10 173.48 1axj s VAL 15 N -3.90 5.27 0.16 1.40 1.01 -0.11 -1.03 120.40 123.19 1axj s VAL 15 Ca 0.11 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.88 1axj s VAL 15 Cb -0.03 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1axj s VAL 15 CO 0.02 0.29 -0.11 -0.69 0.00 0.00 0.00 175.10 174.61 1axj s VAL 16 N -1.33 1.29 0.08 2.92 1.01 0.12 -0.68 120.40 123.81 1axj s VAL 16 Ca 0.28 -2.08 -0.06 0.00 0.00 0.00 0.00 61.98 60.12 1axj s VAL 16 Cb -0.13 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 1axj s VAL 16 CO 0.19 -0.71 0.11 0.00 0.00 0.00 0.00 175.10 174.70 1axj s ALA 17 N -3.21 0.03 -0.04 5.51 0.00 0.18 -1.00 121.76 123.22 1axj s ALA 17 Ca 0.18 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.29 1axj s ALA 17 Cb 0.02 0.41 0.03 0.00 0.00 0.00 0.00 23.12 23.58 1axj s ALA 17 CO 0.02 -0.46 0.05 0.42 0.00 0.00 0.00 175.76 175.79 1axj s ILE 18 N -3.88 -0.03 -0.46 0.00 1.01 -0.43 -0.73 121.20 116.68 1axj s ILE 18 Ca 0.06 0.37 -0.20 0.00 0.00 0.00 0.00 60.65 60.88 1axj s ILE 18 Cb 0.06 -0.21 0.03 0.00 0.01 0.00 0.00 42.46 42.35 1axj s ILE 18 CO -0.11 0.19 0.62 0.00 0.00 0.00 0.00 174.94 175.64 1axj s ALA 19 N 2.09 3.36 -0.32 9.38 0.00 0.50 -0.89 121.76 135.87 1axj s ALA 19 Ca 0.04 -1.43 -0.21 0.00 0.00 0.00 0.00 51.96 50.37 1axj s ALA 19 Cb -0.12 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 1axj s ALA 19 CO -0.03 -1.85 0.66 0.99 0.00 0.00 0.00 175.76 175.53 1axj s THR 20 N 2.70 4.89 0.20 0.00 2.01 -0.12 -1.04 115.64 124.27 1axj s THR 20 Ca 0.19 0.82 -0.30 0.00 0.31 0.00 0.00 61.69 62.71 1axj s THR 20 Cb -0.16 -4.05 -0.08 0.00 0.01 0.00 0.00 72.50 68.21 1axj s THR 20 CO 0.16 -0.22 1.17 -1.58 -0.69 0.00 0.00 174.62 173.45 1axj s GLN 21 N 2.71 4.53 0.00 4.92 2.00 -0.68 -0.80 119.66 132.34 1axj s GLN 21 Ca 0.26 1.84 0.00 0.00 -2.00 0.00 0.00 55.36 55.46 1axj s GLN 21 Cb -0.15 -3.24 0.00 0.00 0.80 0.00 0.00 33.01 30.42 1axj s GLN 21 CO 0.13 -0.02 0.00 0.41 -0.50 0.00 0.00 175.29 175.31 1axj n GLY 22 N 2.03 0.12 2.22 2.59 0.00 -1.26 -3.95 105.19 106.95 1axj n GLY 22 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1axj n GLY 22 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1axj n GLU 23 N -0.84 0.00 -0.43 1.61 2.13 -1.26 -4.31 120.64 117.53 1axj n GLU 23 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1axj n GLU 23 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1axj n GLU 23 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1axj n ASP 24 N -3.43 4.86 0.00 4.31 5.75 -1.26 -4.85 116.55 121.93 1axj n ASP 24 Ca 0.00 -2.29 0.00 0.00 -0.01 0.00 0.00 54.79 52.49 1axj n ASP 24 Cb 0.00 -1.02 0.00 0.00 -1.03 0.00 0.00 41.12 39.07 1axj n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1axj n GLY 25 N 1.45 -0.94 3.75 6.12 0.00 -1.26 -4.96 105.19 109.35 1axj n GLY 25 Ca 0.00 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 44.17 1axj n GLY 25 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1axj s PRO 26 N -3.85 3.08 -0.39 1.61 0.04 -1.26 -4.16 135.00 130.06 1axj s PRO 26 Ca 0.00 1.88 -0.01 0.00 0.04 0.00 0.00 61.00 62.91 1axj s PRO 26 Cb 0.00 -2.03 0.11 0.00 0.04 0.00 0.00 34.50 32.62 1axj s PRO 26 CO 0.00 -1.13 0.16 -1.58 0.04 0.00 0.00 177.00 174.49 1axj s HIS 27 N -1.54 3.64 -0.63 0.56 2.46 0.02 -4.82 115.29 114.98 1axj s HIS 27 Ca 0.75 -2.63 -0.26 0.00 0.47 0.00 0.00 55.06 53.39 1axj s HIS 27 Cb -0.32 -3.13 0.04 0.00 -0.13 0.00 0.00 32.58 29.04 1axj s HIS 27 CO 0.35 -0.96 1.15 -1.17 -2.47 0.00 0.00 174.74 171.64 1axj s LEU 28 N 1.02 3.59 0.40 8.88 2.96 -1.25 -0.95 118.68 133.33 1axj s LEU 28 Ca 0.09 -0.27 0.08 0.00 -0.22 0.00 0.00 54.13 53.81 1axj s LEU 28 Cb -0.22 -2.83 -0.01 0.00 0.50 0.00 0.00 46.19 43.63 1axj s LEU 28 CO -0.05 -1.54 0.43 0.68 -1.32 0.00 0.00 176.35 174.54 1axj s VAL 29 N 4.90 3.05 0.26 1.68 -7.23 -0.07 -4.91 120.40 118.08 1axj s VAL 29 Ca 0.36 -1.22 0.06 0.00 -1.81 0.00 0.00 61.98 59.37 1axj s VAL 29 Cb -0.10 -3.07 -0.05 0.00 0.56 0.00 0.00 36.38 33.72 1axj s VAL 29 CO 0.19 -0.05 -0.06 0.20 -0.31 0.00 0.00 175.10 175.07 1axj s ASN 30 N -4.17 2.60 0.14 4.85 0.02 -1.26 -1.32 114.94 115.79 1axj s ASN 30 Ca 0.48 -1.17 -0.25 0.00 -1.02 0.00 0.00 52.86 50.91 1axj s ASN 30 Cb -0.06 -0.14 0.08 0.00 0.02 0.00 0.00 41.25 41.15 1axj s ASN 30 CO 0.29 -0.34 1.03 0.28 0.02 0.00 0.00 177.10 178.38 1axj s THR 31 N -3.07 0.00 0.01 1.60 -1.32 -0.17 -4.94 115.64 107.75 1axj s THR 31 Ca 0.28 -0.58 0.08 0.00 -1.21 0.00 0.00 61.69 60.26 1axj s THR 31 Cb 0.03 -2.25 -0.02 0.00 -1.51 0.00 0.00 72.50 68.75 1axj s THR 31 CO 0.11 0.00 -0.24 0.26 -2.21 0.00 0.00 174.62 172.53 1axj s TRP 32 N -2.85 2.17 0.52 9.09 0.52 -1.26 -0.70 118.94 126.43 1axj s TRP 32 Ca 0.15 -0.41 0.26 0.00 0.02 0.00 0.00 56.10 56.12 1axj s TRP 32 Cb -0.01 -1.36 1.39 0.00 -1.15 0.00 0.00 33.47 32.34 1axj s TRP 32 CO 0.02 0.02 1.97 -0.91 0.02 0.00 0.00 176.95 178.07 1axj h ASN 33 N 5.25 0.03 0.00 2.95 2.35 -1.37 -0.10 115.58 124.69 1axj h ASN 33 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 1axj h ASN 33 Cb 1.13 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.50 1axj h ASN 33 CO 0.46 0.02 0.08 -0.24 -1.65 0.00 0.00 177.43 176.09 1axj n SER 34 N -4.36 0.39 -0.06 5.81 2.88 -1.26 -1.56 113.62 115.44 1axj n SER 34 Ca 0.12 0.65 0.01 0.00 -1.33 0.00 0.00 58.87 58.32 1axj n SER 34 Cb 0.68 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1axj n SER 34 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1axj n TYR 35 N -2.03 0.00 -3.27 0.66 4.01 -0.05 -5.06 117.16 111.43 1axj n TYR 35 Ca -0.01 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.55 1axj n TYR 35 Cb 0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.13 1axj n TYR 35 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1axj s LEU 36 N -0.64 3.73 -0.04 7.72 1.43 -0.60 -4.27 118.68 126.01 1axj s LEU 36 Ca 0.02 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1axj s LEU 36 Cb 0.02 -2.60 0.03 0.00 0.03 0.00 0.00 46.19 43.66 1axj s LEU 36 CO 0.04 -0.61 -0.01 -1.59 0.23 0.00 0.00 176.35 174.40 1axj s LYS 37 N -4.25 0.44 -0.06 1.70 -2.85 -0.70 -5.01 119.74 109.01 1axj s LYS 37 Ca 0.50 0.04 -0.04 0.00 -1.00 0.00 0.00 55.97 55.47 1axj s LYS 37 Cb -0.09 -0.60 -0.04 0.00 -2.06 0.00 0.00 37.83 35.04 1axj s LYS 37 CO 0.31 -0.14 0.13 0.08 0.10 0.00 0.00 175.35 175.84 1axj s VAL 38 N 1.10 5.26 0.45 1.79 1.01 -1.26 -0.76 120.40 127.98 1axj s VAL 38 Ca -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1axj s VAL 38 Cb -0.14 -3.36 -0.00 0.00 0.00 0.00 0.00 36.38 32.88 1axj s VAL 38 CO -0.02 0.48 0.01 0.18 0.00 0.00 0.00 175.10 175.75 1axj n LEU 39 N 1.52 0.00 0.00 3.92 4.77 0.58 -4.98 117.00 122.80 1axj n LEU 39 Ca -0.16 -2.86 -0.27 0.00 -0.03 0.00 0.00 56.01 52.70 1axj n LEU 39 Cb 0.54 0.38 0.21 0.00 -2.33 0.00 0.00 43.42 42.22 1axj n LEU 39 CO 0.36 -0.41 0.64 -0.67 -1.33 0.00 0.00 177.39 175.99 1axj n ASP 40 N -1.31 -1.19 -2.34 -1.43 2.03 -1.26 -3.62 116.55 107.43 1axj n ASP 40 Ca -0.18 -1.23 -0.21 0.00 0.52 0.00 0.00 54.79 53.70 1axj n ASP 40 Cb 0.57 -0.91 -0.02 0.00 -0.72 0.00 0.00 41.12 40.05 1axj n ASP 40 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1axj n GLY 41 N -3.57 -0.30 2.52 0.27 0.00 -1.26 -1.73 105.19 101.12 1axj n GLY 41 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 1axj n GLY 41 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1axj n ASN 42 N -1.96 -4.12 -4.77 1.61 0.23 -1.26 -4.81 115.26 100.18 1axj n ASN 42 Ca -0.24 0.12 -0.39 0.00 -0.53 0.00 0.00 54.58 53.53 1axj n ASN 42 Cb 0.69 -2.93 -0.04 0.00 -2.08 0.00 0.00 39.78 35.42 1axj n ASN 42 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1axj s ARG 43 N -2.00 4.43 0.14 -3.83 3.52 -0.71 -4.29 118.95 116.21 1axj s ARG 43 Ca 0.00 1.80 0.07 0.00 -0.13 0.00 0.00 55.73 57.46 1axj s ARG 43 Cb 0.00 -2.98 -0.04 0.00 -1.56 0.00 0.00 34.95 30.37 1axj s ARG 43 CO 0.00 0.03 -0.15 0.42 -0.81 0.00 0.00 175.30 174.78 1axj s ILE 44 N -1.29 1.50 -0.02 4.11 1.01 -0.58 -0.31 121.20 125.62 1axj s ILE 44 Ca 0.49 -1.80 -0.05 0.00 0.00 0.00 0.00 60.65 59.30 1axj s ILE 44 Cb -0.31 -1.65 0.01 0.00 0.01 0.00 0.00 42.46 40.52 1axj s ILE 44 CO 0.39 -0.39 0.11 -0.69 0.00 0.00 0.00 174.94 174.37 1axj s VAL 45 N -2.13 0.04 -0.05 2.92 1.01 0.06 -0.39 120.40 121.86 1axj s VAL 45 Ca 0.11 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.83 1axj s VAL 45 Cb -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.07 1axj s VAL 45 CO 0.04 -0.17 -0.16 -0.69 0.00 0.00 0.00 175.10 174.13 1axj s VAL 46 N -0.52 1.33 -0.23 2.92 1.01 -0.15 -1.72 120.40 123.03 1axj s VAL 46 Ca -0.06 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 1axj s VAL 46 Cb -0.04 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.18 1axj s VAL 46 CO 0.00 0.39 1.25 -2.16 0.00 0.00 0.00 175.10 174.58 1axj s PRO 47 N 0.16 4.11 -0.43 2.72 0.04 -1.26 -0.50 135.00 139.84 1axj s PRO 47 Ca -0.06 1.45 -0.29 0.00 0.04 0.00 0.00 61.00 62.14 1axj s PRO 47 Cb -0.12 -3.79 0.02 0.00 0.04 0.00 0.00 34.50 30.65 1axj s PRO 47 CO 0.02 -0.86 1.16 0.54 0.04 0.00 0.00 177.00 177.91 1axj s VAL 48 N 3.79 4.23 -0.05 -0.36 0.11 -0.71 -4.85 120.40 122.56 1axj s VAL 48 Ca 0.54 1.30 0.18 0.00 -2.93 0.00 0.00 61.98 61.07 1axj s VAL 48 Cb -0.19 -4.51 -0.28 0.00 -1.53 0.00 0.00 36.38 29.87 1axj s VAL 48 CO 0.17 -0.86 0.35 0.61 -3.33 0.00 0.00 175.10 172.03 1axj n GLY 49 N 4.66 -0.85 0.44 6.54 0.00 -1.26 0.28 105.19 115.00 1axj n GLY 49 Ca 0.13 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1axj n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1axj n GLY 50 N 1.52 0.94 2.78 -0.02 0.00 -1.26 -4.86 105.19 104.29 1axj n GLY 50 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1axj n GLY 50 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1axj n MET 51 N 0.00 3.26 0.08 1.61 2.00 -1.26 -4.74 117.12 118.06 1axj n MET 51 Ca 0.00 -3.52 -0.13 0.00 0.00 0.00 0.00 57.70 54.05 1axj n MET 51 Cb 0.51 -2.30 -0.08 0.00 0.00 0.00 0.00 33.22 31.35 1axj n MET 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1axj h HIS 52 N 3.29 -0.16 -0.93 2.03 3.86 -1.98 0.58 115.15 121.84 1axj h HIS 52 Ca 0.54 -0.00 0.16 0.00 -1.16 0.00 0.00 60.37 59.91 1axj h HIS 52 Cb 0.21 0.05 -0.10 0.00 1.06 0.00 0.00 27.41 28.63 1axj h HIS 52 CO 1.28 0.07 0.54 -0.22 0.86 0.00 0.00 177.93 180.45 1axj h LYS 53 N -0.37 0.72 -0.83 2.45 3.64 -2.00 -0.81 116.57 119.37 1axj h LYS 53 Ca -0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1axj h LYS 53 Cb 0.30 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 1axj h LYS 53 CO 0.03 0.47 0.53 1.15 -2.27 0.00 0.00 179.45 179.36 1axj h THR 54 N 0.74 1.22 -0.61 1.00 2.02 -1.74 0.31 112.91 115.85 1axj h THR 54 Ca 0.51 -0.44 0.07 0.00 0.77 0.00 0.00 66.41 67.33 1axj h THR 54 Cb 0.72 0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 1axj h THR 54 CO -0.36 0.22 0.28 -0.08 0.37 0.00 0.00 175.52 175.96 1axj h GLU 55 N 1.14 0.50 -0.43 6.66 4.81 0.48 0.93 114.58 128.66 1axj h GLU 55 Ca 0.30 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.37 1axj h GLU 55 Cb -0.10 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1axj h GLU 55 CO -0.06 0.33 -0.27 0.00 -0.73 0.00 0.00 179.01 178.28 1axj h ALA 56 N 1.37 0.70 -0.84 2.92 0.00 -0.60 -1.85 119.26 120.97 1axj h ALA 56 Ca 0.29 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1axj h ALA 56 Cb 0.28 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1axj h ALA 56 CO -0.24 0.67 0.55 -0.91 0.00 0.00 0.00 179.25 179.32 1axj h ASN 57 N 0.79 0.94 -0.13 0.00 4.21 0.59 0.69 115.58 122.67 1axj h ASN 57 Ca 0.09 -0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.57 1axj h ASN 57 Cb 0.84 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.80 1axj h ASN 57 CO 0.07 0.67 0.04 0.58 -1.29 0.00 0.00 177.43 177.50 1axj h VAL 58 N 1.11 1.19 -0.44 2.81 2.07 -0.80 0.17 116.25 122.37 1axj h VAL 58 Ca 0.32 -0.59 0.13 0.00 0.82 0.00 0.00 66.70 67.38 1axj h VAL 58 Cb -0.09 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1axj h VAL 58 CO -0.08 0.17 0.46 0.00 0.02 0.00 0.00 177.57 178.15 1axj h ALA 59 N 0.84 2.16 0.07 1.67 0.00 -0.60 -2.81 119.26 120.59 1axj h ALA 59 Ca 0.04 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 1axj h ALA 59 Cb 0.24 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1axj h ALA 59 CO -0.00 -0.69 -1.11 0.00 0.00 0.00 0.00 179.25 177.45 1axj h ARG 60 N 0.00 0.14 -2.68 0.00 2.47 0.28 -3.49 114.38 111.10 1axj h ARG 60 Ca 0.21 -0.24 -0.12 0.00 -1.26 0.00 0.00 59.98 58.57 1axj h ARG 60 Cb 1.13 0.09 -0.25 0.00 -1.65 0.00 0.00 29.97 29.28 1axj h ARG 60 CO -0.00 1.11 -0.27 0.34 0.56 0.00 0.00 179.97 181.71 1axj s ASP 61 N -6.84 -0.48 0.47 7.04 2.15 0.50 -4.97 116.67 114.53 1axj s ASP 61 Ca -0.22 0.87 0.27 0.00 0.43 0.00 0.00 52.55 53.90 1axj s ASP 61 Cb 0.03 0.80 0.71 0.00 -0.30 0.00 0.00 42.92 44.16 1axj s ASP 61 CO 0.71 -0.17 1.74 1.05 -0.17 0.00 0.00 175.17 178.33 1axj h GLU 62 N 6.46 0.00 -6.66 4.34 -0.00 -1.83 -3.35 114.58 113.54 1axj h GLU 62 Ca -0.33 0.00 -0.52 0.00 -0.00 0.00 0.00 59.36 58.51 1axj h GLU 62 Cb 1.18 0.00 0.06 0.00 -0.00 0.00 0.00 28.75 29.99 1axj h GLU 62 CO 0.28 0.00 0.95 1.03 -0.00 0.00 0.00 179.01 181.27 1axj s ARG 63 N -3.36 4.16 0.04 1.06 3.00 -1.26 -0.52 118.95 122.07 1axj s ARG 63 Ca 0.05 2.52 -0.04 0.00 0.00 0.00 0.00 55.73 58.27 1axj s ARG 63 Cb 0.07 -3.09 -0.02 0.00 0.00 0.00 0.00 34.95 31.90 1axj s ARG 63 CO 0.62 -0.69 0.05 0.14 0.00 0.00 0.00 175.30 175.42 1axj s VAL 64 N 1.02 0.15 0.08 3.52 -7.23 -0.17 -1.68 120.40 116.10 1axj s VAL 64 Ca 0.72 -1.27 0.01 0.00 -1.81 0.00 0.00 61.98 59.63 1axj s VAL 64 Cb -0.48 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 1axj s VAL 64 CO 0.34 -0.70 0.20 -0.22 -0.31 0.00 0.00 175.10 174.40 1axj s LEU 65 N -2.29 4.24 0.00 1.32 2.96 -0.21 -1.67 118.68 123.04 1axj s LEU 65 Ca -0.03 0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 1axj s LEU 65 Cb 0.00 -2.85 -0.00 0.00 0.50 0.00 0.00 46.19 43.84 1axj s LEU 65 CO -0.06 0.14 -0.01 -0.32 -1.32 0.00 0.00 176.35 174.78 1axj s MET 66 N -2.65 0.12 -0.00 1.98 -2.45 -0.29 -0.37 119.30 115.63 1axj s MET 66 Ca 0.34 -0.12 0.04 0.00 -1.25 0.00 0.00 55.69 54.70 1axj s MET 66 Cb -0.12 -0.06 -0.01 0.00 1.25 0.00 0.00 34.83 35.88 1axj s MET 66 CO 0.27 0.01 -0.14 0.95 1.05 0.00 0.00 175.02 177.17 1axj s THR 67 N -0.23 1.07 0.33 10.11 -4.23 0.10 0.19 115.64 122.97 1axj s THR 67 Ca -0.02 -0.63 0.09 0.00 -1.18 0.00 0.00 61.69 59.96 1axj s THR 67 Cb -0.02 -0.90 -0.05 0.00 1.34 0.00 0.00 72.50 72.87 1axj s THR 67 CO -0.00 0.26 -0.03 -1.48 -0.54 0.00 0.00 174.62 172.83 1axj s LEU 68 N -0.41 2.91 0.02 4.79 0.05 -0.61 -0.65 118.68 124.78 1axj s LEU 68 Ca 0.05 -1.00 -0.27 0.00 0.05 0.00 0.00 54.13 52.95 1axj s LEU 68 Cb -0.05 -1.29 0.09 0.00 -2.05 0.00 0.00 46.19 42.89 1axj s LEU 68 CO -0.00 -0.18 1.24 -0.83 -0.55 0.00 0.00 176.35 176.02 1axj s GLY 69 N -3.67 -0.10 0.24 -3.48 0.00 0.15 -0.68 107.32 99.77 1axj s GLY 69 Ca 0.34 0.01 -0.12 0.00 0.00 0.00 0.00 44.72 44.95 1axj s GLY 69 CO 0.18 4.57 0.45 -0.45 0.00 0.00 0.00 173.10 177.86 1axj s SER 70 N -3.66 -0.08 -0.00 1.64 0.15 -0.49 -0.93 113.70 110.32 1axj s SER 70 Ca 0.27 -0.92 0.22 0.00 0.70 0.00 0.00 55.95 56.22 1axj s SER 70 Cb -0.01 0.57 -0.28 0.00 -1.71 0.00 0.00 66.02 64.60 1axj s SER 70 CO 0.00 -1.11 0.61 0.54 1.20 0.00 0.00 173.24 174.49 1axj n ARG 71 N -0.36 0.55 0.00 5.44 1.74 -1.26 -3.20 116.66 119.56 1axj n ARG 71 Ca -0.02 -0.14 0.13 0.00 -0.77 0.00 0.00 57.85 57.05 1axj n ARG 71 Cb 0.62 -1.55 0.41 0.00 -1.02 0.00 0.00 32.46 30.92 1axj n ARG 71 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1axj n LYS 72 N -2.17 1.52 -4.26 5.56 5.02 -1.26 -4.62 118.16 117.94 1axj n LYS 72 Ca -0.02 -0.97 -0.24 0.00 -2.02 0.00 0.00 58.31 55.06 1axj n LYS 72 Cb 0.53 -1.48 -0.17 0.00 -0.02 0.00 0.00 35.03 33.89 1axj n LYS 72 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1axj s VAL 73 N -2.15 0.89 0.04 -0.18 1.01 -1.26 -5.08 120.40 113.67 1axj s VAL 73 Ca 0.32 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 1axj s VAL 73 Cb 0.20 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 1axj s VAL 73 CO 0.39 0.31 1.00 0.00 0.00 0.00 0.00 175.10 176.80 1axj s ALA 74 N 1.05 3.21 0.00 5.51 0.00 -1.26 -1.04 121.76 129.23 1axj s ALA 74 Ca -0.08 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.47 1axj s ALA 74 Cb -0.14 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1axj s ALA 74 CO -0.01 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1axj n GLY 75 N 2.73 5.02 0.07 0.00 0.00 -1.17 -4.64 105.19 107.19 1axj n GLY 75 Ca 0.05 -1.63 -0.02 0.00 0.00 0.00 0.00 46.02 44.42 1axj n GLY 75 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1axj h ARG 76 N 0.00 -0.05 -5.83 1.61 3.08 -1.80 -3.42 114.38 107.97 1axj h ARG 76 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1axj h ARG 76 Cb 0.00 0.01 -0.12 0.00 0.08 0.00 0.00 29.97 29.94 1axj h ARG 76 CO 0.00 0.06 0.65 0.54 -1.07 0.00 0.00 179.97 180.15 1axj s ASN 77 N -5.55 6.26 0.77 7.04 6.03 -1.26 -4.94 114.94 123.29 1axj s ASN 77 Ca -0.03 -0.56 0.00 0.00 -1.03 0.00 0.00 52.86 51.25 1axj s ASN 77 Cb -0.00 -2.45 0.00 0.00 -3.03 0.00 0.00 41.25 35.76 1axj s ASN 77 CO 0.09 -1.40 0.00 0.61 -2.03 0.00 0.00 177.10 174.37 1axj n GLY 78 N 5.22 -0.62 2.79 0.45 0.00 -1.26 -3.71 105.19 108.06 1axj n GLY 78 Ca 0.00 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 1axj n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1axj n PRO 79 N -1.46 2.59 -3.15 1.61 -0.04 -1.26 -3.06 135.00 130.24 1axj n PRO 79 Ca 0.00 -2.40 0.05 0.00 -0.04 0.00 0.00 63.50 61.10 1axj n PRO 79 Cb 0.00 -3.18 -0.01 0.00 -0.04 0.00 0.00 33.50 30.27 1axj n PRO 79 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1axj s GLY 80 N 3.54 -0.80 0.41 0.55 0.00 -1.18 -4.53 107.32 105.31 1axj s GLY 80 Ca 0.50 2.10 0.08 0.00 0.00 0.00 0.00 44.72 47.40 1axj s GLY 80 CO -0.04 3.60 0.51 -1.08 0.00 0.00 0.00 173.10 176.09 1axj s THR 81 N 2.89 3.00 -0.04 0.90 -1.32 -0.21 -4.02 115.64 116.85 1axj s THR 81 Ca 0.13 -1.10 -0.31 0.00 -1.21 0.00 0.00 61.69 59.21 1axj s THR 81 Cb -0.12 -3.03 0.12 0.00 -1.51 0.00 0.00 72.50 67.96 1axj s THR 81 CO -0.18 -0.01 1.33 -0.83 -2.21 0.00 0.00 174.62 172.71 1axj s GLY 82 N -4.27 -0.37 0.07 6.08 0.00 0.48 -1.40 107.32 107.92 1axj s GLY 82 Ca 0.52 0.59 0.04 0.00 0.00 0.00 0.00 44.72 45.88 1axj s GLY 82 CO 0.31 1.65 -0.12 -1.36 0.00 0.00 0.00 173.10 173.58 1axj s PHE 83 N -2.21 1.09 -0.18 1.90 0.40 0.14 -1.43 117.98 117.69 1axj s PHE 83 Ca 0.19 -0.51 -0.09 0.00 -0.60 0.00 0.00 56.93 55.92 1axj s PHE 83 Cb 0.04 -0.61 -0.05 0.00 0.51 0.00 0.00 43.02 42.91 1axj s PHE 83 CO -0.04 0.02 0.11 -1.17 0.70 0.00 0.00 175.22 174.85 1axj s LEU 84 N -1.88 4.14 0.06 -0.37 1.98 -0.08 -1.57 118.68 120.96 1axj s LEU 84 Ca -0.02 0.23 0.02 0.00 -2.89 0.00 0.00 54.13 51.48 1axj s LEU 84 Cb -0.08 -2.06 -0.03 0.00 0.66 0.00 0.00 46.19 44.68 1axj s LEU 84 CO 0.02 0.21 -0.08 -0.63 -1.89 0.00 0.00 176.35 173.98 1axj s ILE 85 N 0.15 0.63 -0.02 6.68 1.01 0.13 -0.76 121.20 129.02 1axj s ILE 85 Ca 0.08 -1.37 0.02 0.00 0.00 0.00 0.00 60.65 59.38 1axj s ILE 85 Cb -0.11 -0.99 0.00 0.00 0.01 0.00 0.00 42.46 41.37 1axj s ILE 85 CO -0.01 -0.53 -0.08 -0.13 0.00 0.00 0.00 174.94 174.19 1axj s ARG 86 N -2.32 0.87 0.00 2.79 0.52 -0.38 -1.14 118.95 119.28 1axj s ARG 86 Ca -0.02 -0.27 0.00 0.00 -0.52 0.00 0.00 55.73 54.92 1axj s ARG 86 Cb -0.05 -0.82 0.00 0.00 0.52 0.00 0.00 34.95 34.60 1axj s ARG 86 CO -0.01 0.09 0.00 0.41 0.02 0.00 0.00 175.30 175.81 1axj n GLY 87 N 3.32 0.81 3.35 -3.53 0.00 -0.67 -0.63 105.19 107.84 1axj n GLY 87 Ca -0.18 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.74 1axj n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1axj s SER 88 N -0.58 3.08 0.29 1.61 0.01 -0.53 -1.00 113.70 116.58 1axj s SER 88 Ca 0.00 -0.68 0.07 0.00 1.31 0.00 0.00 55.95 56.65 1axj s SER 88 Cb 0.00 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 1axj s SER 88 CO 0.00 0.18 0.29 0.00 0.41 0.00 0.00 173.24 174.12 1axj s ALA 89 N -0.99 3.80 -0.29 1.44 0.00 0.33 -0.65 121.76 125.39 1axj s ALA 89 Ca 0.12 -1.46 -0.04 0.00 0.00 0.00 0.00 51.96 50.58 1axj s ALA 89 Cb -0.10 -1.38 0.17 0.00 0.00 0.00 0.00 23.12 21.80 1axj s ALA 89 CO 0.04 0.14 0.60 0.00 0.00 0.00 0.00 175.76 176.54 1axj s ALA 90 N -2.16 -2.11 0.15 0.00 0.00 0.10 -4.78 121.76 112.97 1axj s ALA 90 Ca 0.37 1.93 -0.30 0.00 0.00 0.00 0.00 51.96 53.96 1axj s ALA 90 Cb -0.08 -2.01 -0.07 0.00 0.00 0.00 0.00 23.12 20.96 1axj s ALA 90 CO 0.27 -1.20 1.16 -0.06 0.00 0.00 0.00 175.76 175.93 1axj s PHE 91 N 2.85 3.49 -0.01 0.00 0.40 -1.26 -1.10 117.98 122.35 1axj s PHE 91 Ca 0.12 1.47 -0.01 0.00 -0.60 0.00 0.00 56.93 57.91 1axj s PHE 91 Cb -0.14 -3.37 0.00 0.00 0.51 0.00 0.00 43.02 40.03 1axj s PHE 91 CO -0.20 -0.98 0.04 1.03 0.70 0.00 0.00 175.22 175.81 1axj s ARG 92 N -0.01 0.08 -0.37 0.44 1.81 -0.20 -4.96 118.95 115.74 1axj s ARG 92 Ca 0.53 -0.01 0.05 0.00 -1.72 0.00 0.00 55.73 54.58 1axj s ARG 92 Cb -0.31 0.03 0.45 0.00 -0.45 0.00 0.00 34.95 34.68 1axj s ARG 92 CO 0.34 -0.01 1.33 0.25 -0.68 0.00 0.00 175.30 176.53 1axj n THR 93 N 2.90 2.70 -3.52 0.02 -2.24 -1.26 -0.28 114.28 112.60 1axj n THR 93 Ca -0.13 -4.09 -0.15 0.00 -2.27 0.00 0.00 64.05 57.41 1axj n THR 93 Cb 0.59 -1.16 -0.05 0.00 -2.10 0.00 0.00 70.33 67.62 1axj n THR 93 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1axj s ASP 94 N -3.28 -0.55 0.00 3.42 2.15 -1.26 -5.01 116.67 112.14 1axj s ASP 94 Ca 0.53 0.34 0.00 0.00 0.43 0.00 0.00 52.55 53.85 1axj s ASP 94 Cb 0.42 0.53 0.00 0.00 -0.30 0.00 0.00 42.92 43.58 1axj s ASP 94 CO 0.00 -0.73 0.00 0.61 -0.17 0.00 0.00 175.17 174.88 1axj n GLY 95 N 0.42 -0.59 0.00 2.66 0.00 -1.26 -3.39 105.19 103.03 1axj n GLY 95 Ca -0.18 -1.77 0.03 0.00 0.00 0.00 0.00 46.02 44.10 1axj n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1axj n PRO 96 N -0.61 0.01 0.17 1.61 -0.04 -1.26 -1.56 135.00 133.33 1axj n PRO 96 Ca 0.00 0.38 -0.07 0.00 -0.04 0.00 0.00 63.50 63.77 1axj n PRO 96 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1axj n PRO 96 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1axj h GLU 97 N 0.00 -0.43 -0.13 0.54 4.39 -1.99 -1.66 114.58 115.30 1axj h GLU 97 Ca 0.00 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 1axj h GLU 97 Cb 0.09 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1axj h GLU 97 CO 0.00 -0.29 0.00 0.35 -1.16 0.00 0.00 179.01 177.91 1axj h PHE 98 N -0.64 0.18 0.35 4.33 3.57 -1.33 -1.66 116.94 121.73 1axj h PHE 98 Ca -0.05 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 1axj h PHE 98 Cb 0.35 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1axj h PHE 98 CO 0.07 0.19 -0.17 0.93 -2.23 0.00 0.00 178.31 177.10 1axj h GLU 99 N 0.18 -0.45 0.00 1.11 5.08 -1.36 0.12 114.58 119.26 1axj h GLU 99 Ca 0.04 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1axj h GLU 99 Cb 0.12 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1axj h GLU 99 CO 0.00 -0.13 -0.06 0.00 -1.00 0.00 0.00 179.01 177.82 1axj h ALA 100 N -0.51 1.67 0.00 3.43 0.00 -1.13 -0.68 119.26 122.03 1axj h ALA 100 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1axj h ALA 100 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1axj h ALA 100 CO 0.08 0.08 -0.54 -0.84 0.00 0.00 0.00 179.25 178.03 1axj h ILE 101 N 0.00 0.00 -0.90 0.00 -0.00 -1.24 -3.36 117.51 112.00 1axj h ILE 101 Ca -0.00 -0.82 0.26 0.00 -0.00 0.00 0.00 64.86 64.30 1axj h ILE 101 Cb 0.13 1.52 -0.04 0.00 -0.00 0.00 0.00 36.82 38.43 1axj h ILE 101 CO 0.01 0.00 0.76 0.00 -0.00 0.00 0.00 178.15 178.92 1axj h ALA 102 N 2.18 2.77 -0.18 0.16 0.00 0.87 -0.48 119.26 124.58 1axj h ALA 102 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1axj h ALA 102 Cb 0.91 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1axj h ALA 102 CO 0.00 -1.23 0.51 0.07 0.00 0.00 0.00 179.25 178.60 1axj h ARG 103 N 0.00 0.00 -7.79 0.00 0.11 -1.72 -3.42 114.38 101.56 1axj h ARG 103 Ca 0.43 0.00 -0.45 0.00 0.10 0.00 0.00 59.98 60.06 1axj h ARG 103 Cb 1.95 0.00 0.16 0.00 1.11 0.00 0.00 29.97 33.20 1axj h ARG 103 CO -0.00 0.00 0.40 -0.06 0.10 0.00 0.00 179.97 180.41 1axj s PHE 104 N -4.24 1.48 -0.00 4.08 0.08 -0.19 -5.05 117.98 114.14 1axj s PHE 104 Ca -0.03 0.24 0.01 0.00 0.12 0.00 0.00 56.93 57.26 1axj s PHE 104 Cb 0.10 -4.09 0.01 0.00 -0.57 0.00 0.00 43.02 38.47 1axj s PHE 104 CO 0.32 -2.65 0.70 1.17 -0.10 0.00 0.00 175.22 174.66 1axj n LYS 105 N -3.73 0.90 0.00 0.44 4.81 -1.26 -4.80 118.16 114.52 1axj n LYS 105 Ca 0.16 -0.90 0.00 0.00 -0.87 0.00 0.00 58.31 56.70 1axj n LYS 105 Cb 0.59 -0.68 0.00 0.00 0.02 0.00 0.00 35.03 34.97 1axj n LYS 105 CO 0.00 0.00 0.00 -2.67 1.17 0.00 0.00 177.40 175.90 1axj n TRP 106 N -0.19 0.00 -2.56 5.64 4.27 -1.26 -5.11 117.44 118.22 1axj n TRP 106 Ca 0.01 -0.04 -0.33 0.00 -3.89 0.00 0.00 57.50 53.24 1axj n TRP 106 Cb 0.45 -0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.35 1axj n TRP 106 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1axj s ALA 107 N -0.09 2.99 -0.03 -1.67 0.00 -1.26 -4.26 121.76 117.44 1axj s ALA 107 Ca 0.00 0.37 0.09 0.00 0.00 0.00 0.00 51.96 52.42 1axj s ALA 107 Cb 0.00 -3.17 -0.13 0.00 0.00 0.00 0.00 23.12 19.82 1axj s ALA 107 CO 0.00 -0.16 0.17 -2.13 0.00 0.00 0.00 175.76 173.63 1axj n ARG 108 N -1.13 0.73 -3.62 0.00 3.00 0.14 -4.94 116.66 110.84 1axj n ARG 108 Ca 0.07 -0.07 -0.02 0.00 -0.00 0.00 0.00 57.85 57.84 1axj n ARG 108 Cb 0.54 -1.22 -0.02 0.00 0.00 0.00 0.00 32.46 31.76 1axj n ARG 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1axj s ALA 109 N -2.55 -2.21 -0.51 5.13 0.00 -1.26 -4.88 121.76 115.48 1axj s ALA 109 Ca -0.03 1.63 -0.20 0.00 0.00 0.00 0.00 51.96 53.35 1axj s ALA 109 Cb 0.05 -0.19 0.05 0.00 0.00 0.00 0.00 23.12 23.03 1axj s ALA 109 CO 0.37 -0.66 0.69 0.00 0.00 0.00 0.00 175.76 176.16 1axj s ALA 110 N -2.16 3.34 -0.94 0.00 0.00 0.61 -1.75 121.76 120.86 1axj s ALA 110 Ca 0.12 -1.59 -0.24 0.00 0.00 0.00 0.00 51.96 50.24 1axj s ALA 110 Cb 0.01 -3.42 0.04 0.00 0.00 0.00 0.00 23.12 19.74 1axj s ALA 110 CO -0.04 -2.06 1.42 -1.17 0.00 0.00 0.00 175.76 173.91 1axj s LEU 111 N 2.91 3.40 -0.04 0.00 2.96 0.34 -1.03 118.68 127.22 1axj s LEU 111 Ca 0.19 -1.14 -0.27 0.00 -0.22 0.00 0.00 54.13 52.69 1axj s LEU 111 Cb -0.17 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.92 1axj s LEU 111 CO 0.14 -1.64 0.84 -0.69 -1.32 0.00 0.00 176.35 173.68 1axj s VAL 112 N 5.36 4.96 -0.08 1.68 1.01 -0.26 -0.98 120.40 132.08 1axj s VAL 112 Ca 0.44 1.75 0.04 0.00 0.00 0.00 0.00 61.98 64.20 1axj s VAL 112 Cb -0.02 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1axj s VAL 112 CO -0.03 0.20 -0.20 -0.63 0.00 0.00 0.00 175.10 174.45 1axj s ILE 113 N 0.95 2.52 -0.48 2.22 -1.09 0.48 0.00 121.20 125.80 1axj s ILE 113 Ca 0.44 -0.88 -0.04 0.00 -2.23 0.00 0.00 60.65 57.94 1axj s ILE 113 Cb -0.19 -1.98 0.13 0.00 -1.58 0.00 0.00 42.46 38.83 1axj s ILE 113 CO 0.23 0.56 0.29 -0.89 -1.23 0.00 0.00 174.94 173.90 1axj s THR 114 N -0.03 3.54 0.93 2.92 2.01 0.18 -1.52 115.64 123.67 1axj s THR 114 Ca -0.06 -2.28 -0.10 0.00 0.31 0.00 0.00 61.69 59.56 1axj s THR 114 Cb -0.15 -3.38 0.16 0.00 0.01 0.00 0.00 72.50 69.14 1axj s THR 114 CO 0.05 -0.76 1.13 -0.69 -0.69 0.00 0.00 174.62 173.65 1axj s VAL 115 N 0.83 2.18 0.04 3.82 1.01 -1.26 -1.45 120.40 125.56 1axj s VAL 115 Ca 0.10 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 1axj s VAL 115 Cb -0.22 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 1axj s VAL 115 CO -0.04 -0.08 -0.02 0.52 0.00 0.00 0.00 175.10 175.48 1axj n VAL 116 N -4.25 0.73 -3.73 2.92 0.31 0.20 -4.89 118.33 109.62 1axj n VAL 116 Ca 0.10 0.20 -0.13 0.00 -0.01 0.00 0.00 64.34 64.50 1axj n VAL 116 Cb 0.52 -1.59 -0.10 0.00 -0.91 0.00 0.00 33.84 31.77 1axj n VAL 116 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1axj s SER 117 N -5.62 -0.41 -0.07 4.52 0.01 -1.18 -4.76 113.70 106.19 1axj s SER 117 Ca -0.02 0.74 0.02 0.00 1.31 0.00 0.00 55.95 58.00 1axj s SER 117 Cb 0.01 0.78 -0.03 0.00 0.21 0.00 0.00 66.02 66.99 1axj s SER 117 CO 0.03 -0.19 -0.10 0.00 0.41 0.00 0.00 173.24 173.39 1axj s ALA 118 N -0.00 2.83 -0.01 1.44 0.00 -1.26 -1.25 121.76 123.51 1axj s ALA 118 Ca -0.02 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 51.02 1axj s ALA 118 Cb -0.03 -1.14 0.01 0.00 0.00 0.00 0.00 23.12 21.96 1axj s ALA 118 CO 0.01 0.52 0.01 -1.83 0.00 0.00 0.00 175.76 174.48 1axj s GLU 119 N -0.63 -0.01 0.28 0.00 -1.05 0.06 -4.45 118.70 112.90 1axj s GLU 119 Ca 0.09 0.05 -0.29 0.00 -0.15 0.00 0.00 54.97 54.68 1axj s GLU 119 Cb -0.11 -0.06 -0.09 0.00 -0.44 0.00 0.00 34.13 33.42 1axj s GLU 119 CO 0.01 -0.04 1.02 -1.14 0.95 0.00 0.00 175.26 176.06 1axj s GLN 120 N 0.28 4.66 0.17 -4.83 0.74 -1.26 -0.90 119.66 118.52 1axj s GLN 120 Ca -0.02 1.60 0.00 0.00 0.05 0.00 0.00 55.36 56.99 1axj s GLN 120 Cb -0.03 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 30.97 1axj s GLN 120 CO -0.01 0.29 0.00 0.25 -0.55 0.00 0.00 175.29 175.28 1axj n THR 121 N 1.09 0.55 0.44 -0.34 -2.24 -0.51 -4.86 114.28 108.40 1axj n THR 121 Ca -0.00 0.18 0.05 0.00 -2.27 0.00 0.00 64.05 62.01 1axj n THR 121 Cb 0.47 -1.06 0.04 0.00 -2.10 0.00 0.00 70.33 67.68 1axj n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50