#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1axj s LEU 2 N 0.00 2.39 0.63 4.03 1.02 -1.26 -4.15 118.68 121.34 1axj s LEU 2 Ca 0.00 -0.78 -0.15 0.00 0.02 0.00 0.00 54.13 53.21 1axj s LEU 2 Cb 0.00 -0.47 -0.01 0.00 0.02 0.00 0.00 46.19 45.73 1axj s LEU 2 CO 0.00 -0.17 1.10 -2.16 0.02 0.00 0.00 176.35 175.13 1axj s PRO 3 N -2.57 2.99 0.29 1.29 0.04 -1.26 -4.95 135.00 130.82 1axj s PRO 3 Ca 0.06 1.35 -0.02 0.00 0.04 0.00 0.00 61.00 62.43 1axj s PRO 3 Cb -0.05 -1.98 0.44 0.00 0.04 0.00 0.00 34.50 32.95 1axj s PRO 3 CO 0.02 -1.10 1.93 0.78 0.04 0.00 0.00 177.00 178.68 1axj h GLY 4 N 0.22 1.29 -0.04 0.56 0.00 -2.01 -1.43 103.07 101.66 1axj h GLY 4 Ca -0.47 -0.45 0.23 0.00 0.00 0.00 0.00 47.33 46.65 1axj h GLY 4 CO 0.55 0.39 0.62 -0.84 0.00 0.00 0.00 176.54 177.26 1axj h THR 5 N 1.13 0.59 -0.22 4.70 2.02 -1.98 -0.17 112.91 118.98 1axj h THR 5 Ca 0.36 -0.19 0.06 0.00 0.77 0.00 0.00 66.41 67.40 1axj h THR 5 Cb 0.01 -0.03 -0.07 0.00 -1.74 0.00 0.00 68.15 66.32 1axj h THR 5 CO -0.11 0.10 -0.32 0.15 0.37 0.00 0.00 175.52 175.72 1axj h PHE 6 N 0.56 -0.88 -0.14 3.16 3.04 -1.63 -0.77 116.94 120.29 1axj h PHE 6 Ca 0.60 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.59 1axj h PHE 6 Cb 1.22 0.42 -0.01 0.00 2.56 0.00 0.00 35.95 40.15 1axj h PHE 6 CO -0.00 -0.39 0.08 0.74 -2.02 0.00 0.00 178.31 176.72 1axj h PHE 7 N -0.34 0.18 -0.40 0.41 -1.00 -1.17 -1.18 116.94 113.44 1axj h PHE 7 Ca 0.12 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.89 1axj h PHE 7 Cb 0.54 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 40.02 1axj h PHE 7 CO -0.45 0.17 0.22 0.93 -1.61 0.00 0.00 178.31 177.58 1axj h GLU 8 N 0.14 0.54 -0.15 1.51 4.39 -1.06 0.75 114.58 120.70 1axj h GLU 8 Ca 0.05 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 1axj h GLU 8 Cb 0.04 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1axj h GLU 8 CO -0.01 0.40 -0.52 0.28 -1.16 0.00 0.00 179.01 177.99 1axj h VAL 9 N 0.55 1.33 -0.99 3.13 2.07 -0.80 -3.20 116.25 118.35 1axj h VAL 9 Ca 0.14 -1.79 0.03 0.00 0.82 0.00 0.00 66.70 65.91 1axj h VAL 9 Cb 0.01 2.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.75 1axj h VAL 9 CO -0.02 0.55 0.65 -0.07 0.02 0.00 0.00 177.57 178.69 1axj h LEU 10 N 0.28 1.08 -1.89 2.57 -0.00 -0.55 -1.47 115.31 115.33 1axj h LEU 10 Ca -0.02 -0.01 0.12 0.00 -0.00 0.00 0.00 57.88 57.96 1axj h LEU 10 Cb 1.15 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 41.54 1axj h LEU 10 CO 0.11 0.75 0.50 0.11 -0.00 0.00 0.00 178.44 179.90 1axj h LYS 11 N 1.26 0.00 -6.18 1.13 1.57 -0.87 -3.42 116.57 110.07 1axj h LYS 11 Ca 0.39 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.70 1axj h LYS 11 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1axj h LYS 11 CO -0.12 0.00 -0.43 -0.80 -0.57 0.00 0.00 179.45 177.53 1axj s ASN 12 N -5.02 6.32 0.42 0.86 0.01 -0.56 -5.09 114.94 111.89 1axj s ASN 12 Ca -0.04 0.10 -0.24 0.00 -0.71 0.00 0.00 52.86 51.97 1axj s ASN 12 Cb 0.14 -1.87 -0.09 0.00 0.41 0.00 0.00 41.25 39.85 1axj s ASN 12 CO 0.50 -0.06 1.09 -0.70 -1.51 0.00 0.00 177.10 176.42 1axj s GLU 13 N -3.87 4.04 -0.09 -0.60 2.56 -1.26 -4.84 118.70 114.64 1axj s GLU 13 Ca 0.34 1.59 -0.32 0.00 0.00 0.00 0.00 54.97 56.58 1axj s GLU 13 Cb -0.09 -2.50 0.14 0.00 2.00 0.00 0.00 34.13 33.68 1axj s GLU 13 CO 0.29 -0.26 1.42 0.20 -0.56 0.00 0.00 175.26 176.34 1axj s GLY 14 N -1.50 -0.46 0.04 -1.50 0.00 -1.26 -2.73 107.32 99.91 1axj s GLY 14 Ca 0.59 0.83 -0.00 0.00 0.00 0.00 0.00 44.72 46.15 1axj s GLY 14 CO 0.30 1.00 0.16 0.14 0.00 0.00 0.00 173.10 174.70 1axj s VAL 15 N -2.06 5.15 0.21 1.40 1.01 -1.25 -0.83 120.40 124.02 1axj s VAL 15 Ca 0.17 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.83 1axj s VAL 15 Cb 0.07 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 1axj s VAL 15 CO -0.06 0.21 -0.17 -0.69 0.00 0.00 0.00 175.10 174.39 1axj s VAL 16 N -1.40 1.93 0.03 2.92 1.01 0.08 -1.81 120.40 123.16 1axj s VAL 16 Ca 0.31 -2.16 -0.00 0.00 0.00 0.00 0.00 61.98 60.12 1axj s VAL 16 Cb -0.13 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 1axj s VAL 16 CO 0.23 -0.46 -0.03 0.00 0.00 0.00 0.00 175.10 174.83 1axj s ALA 17 N -2.57 0.31 -0.09 5.51 0.00 0.02 -1.15 121.76 123.79 1axj s ALA 17 Ca 0.22 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.32 1axj s ALA 17 Cb -0.03 0.18 0.04 0.00 0.00 0.00 0.00 23.12 23.31 1axj s ALA 17 CO 0.08 -0.22 0.06 0.42 0.00 0.00 0.00 175.76 176.10 1axj s ILE 18 N -2.33 -0.02 -0.48 0.00 1.01 -0.52 -0.36 121.20 118.50 1axj s ILE 18 Ca -0.07 0.19 -0.23 0.00 0.00 0.00 0.00 60.65 60.54 1axj s ILE 18 Cb -0.04 -0.35 0.03 0.00 0.01 0.00 0.00 42.46 42.12 1axj s ILE 18 CO -0.04 0.05 0.79 0.00 0.00 0.00 0.00 174.94 175.74 1axj s ALA 19 N 2.12 3.28 -0.46 9.38 0.00 0.15 -0.92 121.76 135.30 1axj s ALA 19 Ca 0.04 -1.17 -0.22 0.00 0.00 0.00 0.00 51.96 50.60 1axj s ALA 19 Cb -0.13 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.51 1axj s ALA 19 CO -0.05 -2.03 0.76 0.99 0.00 0.00 0.00 175.76 175.43 1axj s THR 20 N 3.32 4.67 0.32 0.00 2.01 -0.38 -1.12 115.64 124.46 1axj s THR 20 Ca 0.27 0.28 -0.28 0.00 0.31 0.00 0.00 61.69 62.27 1axj s THR 20 Cb -0.13 -4.32 -0.09 0.00 0.01 0.00 0.00 72.50 67.96 1axj s THR 20 CO 0.20 -0.74 1.11 -1.58 -0.69 0.00 0.00 174.62 172.91 1axj s GLN 21 N 3.22 4.46 0.14 4.92 2.00 -0.61 -0.96 119.66 132.83 1axj s GLN 21 Ca 0.27 1.76 0.00 0.00 -2.00 0.00 0.00 55.36 55.40 1axj s GLN 21 Cb -0.13 -2.99 0.00 0.00 0.80 0.00 0.00 33.01 30.69 1axj s GLN 21 CO 0.21 0.06 0.00 0.41 -0.50 0.00 0.00 175.29 175.47 1axj n GLY 22 N 0.93 -0.11 0.00 2.59 0.00 -1.26 -4.14 105.19 103.20 1axj n GLY 22 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.44 0.00 -0.79 1.61 0.00 -1.26 -3.83 120.64 112.93 1axj n GLU 23 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.08 1axj n GLU 23 Cb 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.36 1axj n GLU 23 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1axj n ASP 24 N 0.00 4.93 -0.10 4.31 5.75 -1.26 -4.83 116.55 125.35 1axj n ASP 24 Ca 0.00 -2.39 0.00 0.00 -0.01 0.00 0.00 54.79 52.39 1axj n ASP 24 Cb 0.00 -1.25 -0.00 0.00 -1.03 0.00 0.00 41.12 38.84 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 2.23 -2.85 3.80 6.12 0.00 -1.26 -4.98 105.19 108.25 1axj n GLY 25 Ca 0.28 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.99 2.42 -0.32 1.61 0.04 -1.26 -4.25 135.00 129.24 1axj s PRO 26 Ca 0.00 0.82 0.03 0.00 0.04 0.00 0.00 61.00 61.89 1axj s PRO 26 Cb 0.00 -1.94 0.09 0.00 0.04 0.00 0.00 34.50 32.69 1axj s PRO 26 CO 0.00 -1.43 0.03 -1.58 0.04 0.00 0.00 177.00 174.05 1axj s HIS 27 N -3.08 3.52 -0.99 0.56 2.46 -0.13 -4.84 115.29 112.80 1axj s HIS 27 Ca 0.60 -2.79 -0.24 0.00 0.47 0.00 0.00 55.06 53.10 1axj s HIS 27 Cb -0.15 -2.67 -0.01 0.00 -0.13 0.00 0.00 32.58 29.63 1axj s HIS 27 CO 0.55 -0.93 1.75 -1.17 -2.47 0.00 0.00 174.74 172.47 1axj s LEU 28 N 0.99 3.32 0.86 8.88 2.96 -1.25 -1.25 118.68 133.18 1axj s LEU 28 Ca 0.08 -1.12 -0.12 0.00 -0.22 0.00 0.00 54.13 52.74 1axj s LEU 28 Cb -0.19 -2.57 0.11 0.00 0.50 0.00 0.00 46.19 44.04 1axj s LEU 28 CO -0.09 -2.23 1.15 0.68 -1.32 0.00 0.00 176.35 174.54 1axj s VAL 29 N 7.98 2.08 0.37 1.68 -7.23 -0.10 -4.82 120.40 120.37 1axj s VAL 29 Ca 0.60 0.03 0.08 0.00 -1.81 0.00 0.00 61.98 60.88 1axj s VAL 29 Cb -0.03 -2.90 -0.07 0.00 0.56 0.00 0.00 36.38 33.94 1axj s VAL 29 CO -0.03 -0.04 -0.03 0.20 -0.31 0.00 0.00 175.10 174.90 1axj s ASN 30 N -4.28 3.68 0.12 4.85 0.02 -1.26 -1.43 114.94 116.64 1axj s ASN 30 Ca 0.63 -1.30 -0.26 0.00 -1.02 0.00 0.00 52.86 50.91 1axj s ASN 30 Cb -0.13 -0.35 0.07 0.00 0.02 0.00 0.00 41.25 40.86 1axj s ASN 30 CO 0.51 -0.37 1.02 0.28 0.02 0.00 0.00 177.10 178.57 1axj s THR 31 N -2.73 0.00 -0.01 1.60 -1.32 -0.30 -4.93 115.64 107.96 1axj s THR 31 Ca 0.34 -0.59 0.06 0.00 -1.21 0.00 0.00 61.69 60.29 1axj s THR 31 Cb 0.07 -2.02 -0.03 0.00 -1.51 0.00 0.00 72.50 69.01 1axj s THR 31 CO 0.17 0.00 -0.20 0.26 -2.21 0.00 0.00 174.62 172.64 1axj s TRP 32 N -3.10 2.53 0.51 9.09 0.52 -1.26 -0.74 118.94 126.48 1axj s TRP 32 Ca 0.13 -0.28 0.23 0.00 0.02 0.00 0.00 56.10 56.19 1axj s TRP 32 Cb -0.00 -1.53 1.33 0.00 -1.15 0.00 0.00 33.47 32.11 1axj s TRP 32 CO 0.01 0.13 2.00 -0.91 0.02 0.00 0.00 176.95 178.21 1axj h ASN 33 N 5.14 0.07 -0.09 2.95 2.35 -1.31 -0.29 115.58 124.39 1axj h ASN 33 Ca -0.46 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.32 1axj h ASN 33 Cb 1.14 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.50 1axj h ASN 33 CO 0.48 0.04 0.46 -1.28 -1.65 0.00 0.00 177.43 175.48 1axj h SER 34 N 0.07 0.00 -0.00 5.81 0.87 -1.90 -1.74 113.55 116.66 1axj h SER 34 Ca 0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1axj h SER 34 Cb 0.89 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1axj h SER 34 CO -0.02 0.00 -0.04 -1.22 -0.53 0.00 0.00 176.83 175.02 1axj n TYR 35 N -2.98 0.00 -3.11 2.24 4.01 -0.12 -5.06 117.16 112.15 1axj n TYR 35 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 1axj n TYR 35 Cb 0.53 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.57 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 -1.01 3.70 -0.03 7.72 1.43 -0.66 -4.32 118.68 125.53 1axj s LEU 36 Ca 0.02 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1axj s LEU 36 Cb 0.02 -2.86 0.02 0.00 0.03 0.00 0.00 46.19 43.40 1axj s LEU 36 CO 0.05 -0.69 -0.02 -1.59 0.23 0.00 0.00 176.35 174.32 1axj s LYS 37 N -4.41 0.47 -0.07 1.70 -2.85 -0.73 -5.03 119.74 108.82 1axj s LYS 37 Ca 0.50 -0.04 -0.04 0.00 -1.00 0.00 0.00 55.97 55.39 1axj s LYS 37 Cb -0.10 -0.54 -0.04 0.00 -2.06 0.00 0.00 37.83 35.09 1axj s LYS 37 CO 0.34 -0.06 0.13 0.08 0.10 0.00 0.00 175.35 175.94 1axj s VAL 38 N 0.69 5.24 0.51 1.79 1.01 -1.26 -0.96 120.40 127.42 1axj s VAL 38 Ca -0.08 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1axj s VAL 38 Cb -0.11 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 1axj s VAL 38 CO -0.01 0.49 0.02 -0.76 0.00 0.00 0.00 175.10 174.84 1axj s LEU 39 N -1.38 2.21 1.12 3.92 1.02 0.30 -4.99 118.68 120.88 1axj s LEU 39 Ca 0.20 -1.69 -0.17 0.00 0.02 0.00 0.00 54.13 52.49 1axj s LEU 39 Cb -0.12 -0.64 0.25 0.00 0.02 0.00 0.00 46.19 45.70 1axj s LEU 39 CO 0.10 -0.90 1.11 -0.62 0.02 0.00 0.00 176.35 176.06 1axj s ASP 40 N -3.86 1.63 -1.24 2.29 2.15 -1.26 -3.83 116.67 112.56 1axj s ASP 40 Ca 0.05 0.81 0.00 0.00 0.43 0.00 0.00 52.55 53.84 1axj s ASP 40 Cb 0.01 -1.21 0.00 0.00 -0.30 0.00 0.00 42.92 41.42 1axj s ASP 40 CO 0.03 -3.70 0.00 0.61 -0.17 0.00 0.00 175.17 171.94 1axj n GLY 41 N -1.14 -0.19 2.09 2.66 0.00 -1.26 -1.75 105.19 105.61 1axj n GLY 41 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.63 -3.73 -4.74 1.61 2.04 -1.25 -4.91 115.26 102.65 1axj n ASN 42 Ca -0.16 0.35 -0.41 0.00 -0.44 0.00 0.00 54.58 53.92 1axj n ASN 42 Cb 0.60 -3.44 -0.04 0.00 -2.53 0.00 0.00 39.78 34.37 1axj n ASN 42 CO 0.00 0.00 0.00 -0.60 -0.44 0.00 0.00 177.26 176.22 1axj s ARG 43 N -3.18 4.57 0.24 -3.83 3.52 -0.72 -3.99 118.95 115.56 1axj s ARG 43 Ca 0.00 1.77 0.08 0.00 -0.13 0.00 0.00 55.73 57.45 1axj s ARG 43 Cb 0.00 -3.26 -0.05 0.00 -1.56 0.00 0.00 34.95 30.08 1axj s ARG 43 CO 0.00 0.03 -0.14 0.42 -0.81 0.00 0.00 175.30 174.81 1axj s ILE 44 N -0.23 1.88 -0.03 4.11 -1.09 -0.17 -0.54 121.20 125.13 1axj s ILE 44 Ca 0.50 -2.23 -0.07 0.00 -2.23 0.00 0.00 60.65 56.62 1axj s ILE 44 Cb -0.30 -2.19 0.01 0.00 -1.58 0.00 0.00 42.46 38.39 1axj s ILE 44 CO 0.36 -0.49 0.15 -0.69 -1.23 0.00 0.00 174.94 173.04 1axj s VAL 45 N -2.88 0.05 -0.02 2.92 1.01 -0.13 -0.68 120.40 120.65 1axj s VAL 45 Ca 0.26 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.89 1axj s VAL 45 Cb -0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 36.38 36.03 1axj s VAL 45 CO 0.10 -0.21 -0.13 -0.69 0.00 0.00 0.00 175.10 174.16 1axj s VAL 46 N -0.72 1.10 -0.50 2.92 1.01 0.15 -1.77 120.40 122.59 1axj s VAL 46 Ca -0.08 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.07 1axj s VAL 46 Cb -0.05 -0.94 0.03 0.00 0.00 0.00 0.00 36.38 35.42 1axj s VAL 46 CO 0.01 0.32 1.02 -2.16 0.00 0.00 0.00 175.10 174.29 1axj s PRO 47 N -0.08 3.53 -0.42 2.72 0.04 -1.26 -0.39 135.00 139.14 1axj s PRO 47 Ca 0.01 0.18 -0.25 0.00 0.04 0.00 0.00 61.00 60.97 1axj s PRO 47 Cb -0.08 -3.96 0.02 0.00 0.04 0.00 0.00 34.50 30.52 1axj s PRO 47 CO 0.00 -1.39 0.87 0.54 0.04 0.00 0.00 177.00 177.06 1axj s VAL 48 N 4.16 4.58 -0.01 -0.36 0.11 -0.59 -4.86 120.40 123.43 1axj s VAL 48 Ca 0.39 0.82 0.04 0.00 -2.93 0.00 0.00 61.98 60.31 1axj s VAL 48 Cb -0.09 -4.35 -0.07 0.00 -1.53 0.00 0.00 36.38 30.34 1axj s VAL 48 CO 0.26 -0.67 0.08 0.61 -3.33 0.00 0.00 175.10 172.05 1axj n GLY 49 N 4.74 -0.20 2.64 6.54 0.00 -1.26 -0.25 105.19 117.39 1axj n GLY 49 Ca 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.95 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 2.34 1.87 2.81 -0.02 0.00 -1.26 -4.61 105.19 106.31 1axj n GLY 50 Ca -0.02 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.40 3.53 0.19 1.61 2.00 -1.26 -4.97 117.12 116.82 1axj n MET 51 Ca -0.16 -4.59 -0.08 0.00 0.00 0.00 0.00 57.70 52.87 1axj n MET 51 Cb 0.86 -2.41 -0.04 0.00 0.00 0.00 0.00 33.22 31.64 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 5.06 -0.47 -0.99 2.03 3.86 -1.98 0.17 115.15 122.83 1axj h HIS 52 Ca 0.20 -0.01 0.18 0.00 -1.16 0.00 0.00 60.37 59.57 1axj h HIS 52 Cb 0.66 0.15 -0.10 0.00 1.06 0.00 0.00 27.41 29.18 1axj h HIS 52 CO 0.87 -0.29 0.60 -0.22 0.86 0.00 0.00 177.93 179.74 1axj h LYS 53 N -0.60 0.76 -0.78 2.45 3.64 -1.99 -0.95 116.57 119.09 1axj h LYS 53 Ca -0.05 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 1axj h LYS 53 Cb 0.39 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1axj h LYS 53 CO 0.08 0.50 0.31 1.15 -2.27 0.00 0.00 179.45 179.23 1axj h THR 54 N 0.78 1.26 0.03 1.00 2.02 -1.91 0.27 112.91 116.36 1axj h THR 54 Ca 0.56 -0.81 0.01 0.00 0.77 0.00 0.00 66.41 66.94 1axj h THR 54 Cb 0.82 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1axj h THR 54 CO -0.37 0.33 -0.07 -0.08 0.37 0.00 0.00 175.52 175.70 1axj h GLU 55 N 1.13 -0.13 -0.19 6.66 4.81 0.65 0.61 114.58 128.12 1axj h GLU 55 Ca 0.26 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1axj h GLU 55 Cb 0.21 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1axj h GLU 55 CO -0.02 -0.09 0.12 0.00 -0.73 0.00 0.00 179.01 178.29 1axj h ALA 56 N 0.83 0.25 -0.76 2.92 0.00 -1.23 -1.96 119.26 119.31 1axj h ALA 56 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1axj h ALA 56 Cb 0.15 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1axj h ALA 56 CO -0.05 -0.26 0.45 -0.91 0.00 0.00 0.00 179.25 178.48 1axj h ASN 57 N 0.24 0.92 -0.14 0.00 4.21 0.00 -0.33 115.58 120.49 1axj h ASN 57 Ca 0.07 -0.07 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 1axj h ASN 57 Cb 0.01 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 36.97 1axj h ASN 57 CO -0.01 0.72 0.03 0.58 -1.29 0.00 0.00 177.43 177.46 1axj h VAL 58 N 1.04 1.20 -0.55 2.81 2.07 -0.85 0.14 116.25 122.10 1axj h VAL 58 Ca 0.27 -0.61 0.16 0.00 0.82 0.00 0.00 66.70 67.33 1axj h VAL 58 Cb -0.02 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1axj h VAL 58 CO -0.05 0.18 0.40 0.00 0.02 0.00 0.00 177.57 178.12 1axj h ALA 59 N 0.84 2.49 0.05 1.67 0.00 -0.57 -3.11 119.26 120.62 1axj h ALA 59 Ca 0.04 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 1axj h ALA 59 Cb 0.25 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1axj h ALA 59 CO 0.00 -0.64 -1.24 0.00 0.00 0.00 0.00 179.25 177.37 1axj h ARG 60 N 0.03 0.11 -3.31 0.00 3.08 -0.45 -3.48 114.38 110.36 1axj h ARG 60 Ca 0.26 -0.18 -0.26 0.00 0.07 0.00 0.00 59.98 59.87 1axj h ARG 60 Cb 1.02 0.07 -0.33 0.00 0.08 0.00 0.00 29.97 30.81 1axj h ARG 60 CO -0.01 1.09 -0.64 0.34 -1.07 0.00 0.00 179.97 179.68 1axj s ASP 61 N -6.86 0.04 0.43 7.04 2.15 0.44 -5.03 116.67 114.88 1axj s ASP 61 Ca -0.24 0.23 0.27 0.00 0.43 0.00 0.00 52.55 53.24 1axj s ASP 61 Cb 0.04 0.12 0.76 0.00 -0.30 0.00 0.00 42.92 43.55 1axj s ASP 61 CO 0.68 -0.15 1.75 1.05 -0.17 0.00 0.00 175.17 178.33 1axj h GLU 62 N 7.38 0.00 -6.53 4.34 4.11 -1.81 -3.34 114.58 118.73 1axj h GLU 62 Ca -0.41 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.50 1axj h GLU 62 Cb 1.13 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.42 1axj h GLU 62 CO 0.41 0.00 1.05 1.03 0.07 0.00 0.00 179.01 181.57 1axj s ARG 63 N -3.34 4.15 0.00 1.06 3.00 -1.26 -0.44 118.95 122.13 1axj s ARG 63 Ca 0.06 2.52 0.01 0.00 0.00 0.00 0.00 55.73 58.31 1axj s ARG 63 Cb 0.07 -3.46 -0.00 0.00 0.00 0.00 0.00 34.95 31.56 1axj s ARG 63 CO 0.60 -0.78 -0.02 0.14 0.00 0.00 0.00 175.30 175.24 1axj s VAL 64 N 2.30 0.14 0.33 3.52 -7.23 -0.15 -1.57 120.40 117.74 1axj s VAL 64 Ca 0.77 -0.20 -0.08 0.00 -1.81 0.00 0.00 61.98 60.67 1axj s VAL 64 Cb -0.45 -0.15 -0.06 0.00 0.56 0.00 0.00 36.38 36.28 1axj s VAL 64 CO 0.34 -0.04 0.64 -0.22 -0.31 0.00 0.00 175.10 175.52 1axj s LEU 65 N -0.25 3.98 -0.00 1.32 2.96 -0.28 -0.95 118.68 125.45 1axj s LEU 65 Ca -0.02 0.91 -0.00 0.00 -0.22 0.00 0.00 54.13 54.80 1axj s LEU 65 Cb -0.02 -3.75 -0.00 0.00 0.50 0.00 0.00 46.19 42.92 1axj s LEU 65 CO -0.00 -0.27 0.01 -0.32 -1.32 0.00 0.00 176.35 174.45 1axj s MET 66 N -3.60 0.05 -0.04 1.98 -2.45 -0.24 -0.68 119.30 114.32 1axj s MET 66 Ca 0.47 -0.06 0.05 0.00 -1.25 0.00 0.00 55.69 54.90 1axj s MET 66 Cb -0.11 0.02 -0.01 0.00 1.25 0.00 0.00 34.83 35.99 1axj s MET 66 CO 0.29 -0.01 -0.19 0.95 1.05 0.00 0.00 175.02 177.12 1axj s THR 67 N -0.18 1.54 0.34 10.11 -4.23 0.51 -0.32 115.64 123.41 1axj s THR 67 Ca -0.02 -0.78 0.09 0.00 -1.18 0.00 0.00 61.69 59.80 1axj s THR 67 Cb -0.01 -1.31 -0.05 0.00 1.34 0.00 0.00 72.50 72.46 1axj s THR 67 CO -0.00 0.44 -0.00 -1.48 -0.54 0.00 0.00 174.62 173.03 1axj s LEU 68 N -0.05 2.95 0.17 4.79 0.05 -0.63 -0.80 118.68 125.17 1axj s LEU 68 Ca -0.02 -1.01 -0.22 0.00 0.05 0.00 0.00 54.13 52.93 1axj s LEU 68 Cb -0.11 -1.32 0.08 0.00 -2.05 0.00 0.00 46.19 42.79 1axj s LEU 68 CO 0.02 -0.22 1.05 -0.83 -0.55 0.00 0.00 176.35 175.82 1axj s GLY 69 N -3.70 0.10 0.28 -3.48 0.00 -0.75 -1.49 107.32 98.28 1axj s GLY 69 Ca 0.34 -0.31 -0.05 0.00 0.00 0.00 0.00 44.72 44.70 1axj s GLY 69 CO 0.19 2.56 0.40 -0.45 0.00 0.00 0.00 173.10 175.80 1axj s SER 70 N -3.42 0.48 0.00 1.64 0.15 -0.20 -3.79 113.70 108.56 1axj s SER 70 Ca 0.22 -1.30 0.03 0.00 0.70 0.00 0.00 55.95 55.60 1axj s SER 70 Cb -0.02 0.58 -0.02 0.00 -1.71 0.00 0.00 66.02 64.84 1axj s SER 70 CO 0.05 -1.15 0.23 0.54 1.20 0.00 0.00 173.24 174.11 1axj n ARG 71 N -0.45 4.68 0.01 5.44 1.74 -1.11 -3.58 116.66 123.39 1axj n ARG 71 Ca 0.01 -0.14 0.12 0.00 -0.77 0.00 0.00 57.85 57.06 1axj n ARG 71 Cb 0.63 -0.73 0.17 0.00 -1.02 0.00 0.00 32.46 31.50 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 -0.82 0.07 -4.57 5.56 4.76 -1.26 -4.75 118.16 117.14 1axj n LYS 72 Ca 0.01 0.01 -0.23 0.00 -2.87 0.00 0.00 58.31 55.22 1axj n LYS 72 Cb 0.06 -1.53 -0.16 0.00 -1.84 0.00 0.00 35.03 31.56 1axj n LYS 72 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1axj s VAL 73 N -3.04 1.07 0.04 -0.18 1.01 -1.26 -5.02 120.40 113.02 1axj s VAL 73 Ca 0.09 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 1axj s VAL 73 Cb 0.16 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1axj s VAL 73 CO 0.74 0.33 1.00 0.00 0.00 0.00 0.00 175.10 177.17 1axj s ALA 74 N 0.37 3.21 0.00 5.51 0.00 -1.26 -0.67 121.76 128.92 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 -0.12 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1axj s ALA 74 CO 0.02 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1axj n GLY 75 N 2.72 4.68 0.06 0.00 0.00 -1.13 -4.50 105.19 107.03 1axj n GLY 75 Ca 0.05 -1.65 -0.04 0.00 0.00 0.00 0.00 46.02 44.39 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 0.00 -6.34 1.61 -0.00 -0.67 -3.43 114.38 105.55 1axj h ARG 76 Ca 0.00 0.00 -0.54 0.00 -0.50 0.00 0.00 59.98 58.94 1axj h ARG 76 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 29.91 1axj h ARG 76 CO 0.00 0.08 1.12 0.54 0.00 0.00 0.00 179.97 181.71 1axj s ASN 77 N -5.73 6.02 0.74 7.04 6.03 -1.24 -4.89 114.94 122.91 1axj s ASN 77 Ca -0.10 0.08 0.00 0.00 -1.03 0.00 0.00 52.86 51.82 1axj s ASN 77 Cb 0.01 -2.55 0.00 0.00 -3.03 0.00 0.00 41.25 35.69 1axj s ASN 77 CO 0.17 -1.84 0.00 0.61 -2.03 0.00 0.00 177.10 174.01 1axj n GLY 78 N 5.35 -0.52 2.35 0.45 0.00 -1.26 -3.42 105.19 108.14 1axj n GLY 78 Ca 0.11 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.33 3.18 -3.66 1.61 -0.04 -1.26 -2.96 135.00 130.54 1axj n PRO 79 Ca 0.00 -1.91 -0.11 0.00 -0.04 0.00 0.00 63.50 61.44 1axj n PRO 79 Cb 0.00 -2.64 -0.11 0.00 -0.04 0.00 0.00 33.50 30.71 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 2.42 -0.24 0.40 0.55 0.00 -1.05 -4.20 107.32 105.20 1axj s GLY 80 Ca 0.63 1.23 0.08 0.00 0.00 0.00 0.00 44.72 46.65 1axj s GLY 80 CO -0.05 2.15 0.16 -1.08 0.00 0.00 0.00 173.10 174.29 1axj s THR 81 N 2.45 2.42 0.09 0.90 -1.32 0.15 -2.84 115.64 117.49 1axj s THR 81 Ca -0.01 -1.72 -0.16 0.00 -1.21 0.00 0.00 61.69 58.60 1axj s THR 81 Cb -0.12 -2.98 0.05 0.00 -1.51 0.00 0.00 72.50 67.95 1axj s THR 81 CO -0.11 -0.04 0.75 0.61 -2.21 0.00 0.00 174.62 173.62 1axj n GLY 82 N -1.21 0.70 3.04 6.08 0.00 -1.26 -1.03 105.19 111.51 1axj n GLY 82 Ca -0.01 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 1axj n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1axj s PHE 83 N -3.09 0.32 -0.20 1.61 0.40 -0.55 -2.24 117.98 114.22 1axj s PHE 83 Ca 0.17 -0.66 -0.09 0.00 -0.60 0.00 0.00 56.93 55.74 1axj s PHE 83 Cb -0.02 -0.23 -0.05 0.00 0.51 0.00 0.00 43.02 43.23 1axj s PHE 83 CO 0.03 -0.28 0.10 -1.17 0.70 0.00 0.00 175.22 174.61 1axj s LEU 84 N -1.98 4.04 0.07 -0.37 1.98 0.27 -1.60 118.68 121.10 1axj s LEU 84 Ca -0.08 0.16 -0.01 0.00 -2.89 0.00 0.00 54.13 51.31 1axj s LEU 84 Cb -0.03 -2.04 -0.04 0.00 0.66 0.00 0.00 46.19 44.74 1axj s LEU 84 CO -0.04 0.17 -0.01 -0.63 -1.89 0.00 0.00 176.35 173.95 1axj s ILE 85 N 0.42 0.19 0.03 6.68 1.09 0.56 -1.04 121.20 129.14 1axj s ILE 85 Ca 0.06 -1.84 0.00 0.00 -1.10 0.00 0.00 60.65 57.78 1axj s ILE 85 Cb -0.12 -1.66 -0.02 0.00 -1.06 0.00 0.00 42.46 39.60 1axj s ILE 85 CO -0.01 -0.85 -0.04 -0.13 -0.10 0.00 0.00 174.94 173.81 1axj s ARG 86 N -3.95 0.39 0.16 2.79 3.00 -1.00 -1.08 118.95 119.25 1axj s ARG 86 Ca 0.12 -0.71 -0.09 0.00 0.00 0.00 0.00 55.73 55.06 1axj s ARG 86 Cb 0.08 0.03 0.03 0.00 0.00 0.00 0.00 34.95 35.10 1axj s ARG 86 CO -0.07 -0.04 0.44 0.41 0.00 0.00 0.00 175.30 176.05 1axj n GLY 87 N 1.41 1.29 3.32 -3.53 0.00 -0.13 -1.63 105.19 105.92 1axj n GLY 87 Ca -0.23 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.10 3.72 0.36 1.61 0.01 -0.36 -0.97 113.70 115.96 1axj s SER 88 Ca 0.09 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1axj s SER 88 Cb -0.02 -1.55 -0.03 0.00 0.21 0.00 0.00 66.02 64.62 1axj s SER 88 CO 0.05 0.15 0.56 0.00 0.41 0.00 0.00 173.24 174.41 1axj s ALA 89 N 0.41 3.68 -0.29 1.44 0.00 0.42 -0.36 121.76 127.07 1axj s ALA 89 Ca -0.12 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 50.85 1axj s ALA 89 Cb -0.16 -2.14 0.12 0.00 0.00 0.00 0.00 23.12 20.94 1axj s ALA 89 CO 0.06 -0.04 0.62 0.00 0.00 0.00 0.00 175.76 176.40 1axj s ALA 90 N -2.34 -1.93 0.27 0.00 0.00 0.25 -4.75 121.76 113.26 1axj s ALA 90 Ca 0.40 2.25 -0.29 0.00 0.00 0.00 0.00 51.96 54.32 1axj s ALA 90 Cb -0.10 -1.70 -0.09 0.00 0.00 0.00 0.00 23.12 21.23 1axj s ALA 90 CO 0.37 -0.87 1.03 -0.06 0.00 0.00 0.00 175.76 176.22 1axj s PHE 91 N 2.78 3.72 -0.01 0.00 0.40 -1.26 -1.01 117.98 122.59 1axj s PHE 91 Ca -0.06 1.78 -0.01 0.00 -0.60 0.00 0.00 56.93 58.04 1axj s PHE 91 Cb -0.12 -3.15 0.01 0.00 0.51 0.00 0.00 43.02 40.27 1axj s PHE 91 CO -0.18 -0.15 0.03 1.03 0.70 0.00 0.00 175.22 176.65 1axj s ARG 92 N -1.44 0.03 -0.29 0.44 1.81 -0.02 -4.95 118.95 114.53 1axj s ARG 92 Ca 0.44 0.05 0.08 0.00 -1.72 0.00 0.00 55.73 54.59 1axj s ARG 92 Cb -0.29 -0.00 0.46 0.00 -0.45 0.00 0.00 34.95 34.67 1axj s ARG 92 CO 0.36 -0.02 1.19 0.25 -0.68 0.00 0.00 175.30 176.40 1axj n THR 93 N 3.15 2.45 -3.54 0.02 -2.24 -1.26 -0.36 114.28 112.49 1axj n THR 93 Ca -0.13 -4.13 -0.17 0.00 -2.27 0.00 0.00 64.05 57.35 1axj n THR 93 Cb 0.59 -0.98 -0.06 0.00 -2.10 0.00 0.00 70.33 67.78 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 -3.61 -0.61 0.00 3.42 2.15 -1.26 -4.99 116.67 111.77 1axj s ASP 94 Ca 0.49 0.64 0.00 0.00 0.43 0.00 0.00 52.55 54.11 1axj s ASP 94 Cb 0.40 0.52 0.00 0.00 -0.30 0.00 0.00 42.92 43.54 1axj s ASP 94 CO 0.03 -0.60 0.00 0.61 -0.17 0.00 0.00 175.17 175.04 1axj n GLY 95 N 0.92 -0.59 0.00 2.66 0.00 -1.26 -3.49 105.19 103.43 1axj n GLY 95 Ca -0.19 -1.77 0.01 0.00 0.00 0.00 0.00 46.02 44.07 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 0.00 0.08 1.61 -0.04 -1.26 -1.48 135.00 133.30 1axj n PRO 96 Ca 0.00 0.44 -0.03 0.00 -0.04 0.00 0.00 63.50 63.87 1axj n PRO 96 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 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 -0.19 -0.15 0.54 4.39 -1.98 -1.67 114.58 115.52 1axj h GLU 97 Ca 0.00 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1axj h GLU 97 Cb 0.03 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1axj h GLU 97 CO 0.00 -0.13 0.02 0.35 -1.16 0.00 0.00 179.01 178.09 1axj h PHE 98 N -0.29 0.20 0.23 4.33 3.57 -1.35 -1.65 116.94 121.98 1axj h PHE 98 Ca -0.02 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1axj h PHE 98 Cb 0.15 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1axj h PHE 98 CO 0.11 0.20 -0.11 0.93 -2.23 0.00 0.00 178.31 177.21 1axj h GLU 99 N 0.21 -0.30 -0.23 1.11 5.08 -1.36 0.48 114.58 119.57 1axj h GLU 99 Ca 0.05 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1axj h GLU 99 Cb 0.11 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1axj h GLU 99 CO -0.00 0.06 0.07 0.00 -1.00 0.00 0.00 179.01 178.13 1axj h ALA 100 N -0.16 1.69 0.00 3.43 0.00 -1.10 -1.22 119.26 121.90 1axj h ALA 100 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1axj h ALA 100 Cb 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1axj h ALA 100 CO 0.05 0.24 0.00 -0.84 0.00 0.00 0.00 179.25 178.71 1axj h ILE 101 N 0.33 0.00 -0.92 0.00 -0.00 -1.23 -3.30 117.51 112.38 1axj h ILE 101 Ca 0.08 -0.75 0.27 0.00 -0.00 0.00 0.00 64.86 64.46 1axj h ILE 101 Cb 0.11 1.74 -0.04 0.00 -0.00 0.00 0.00 36.82 38.63 1axj h ILE 101 CO -0.01 0.00 0.80 0.00 -0.00 0.00 0.00 178.15 178.94 1axj h ALA 102 N 2.21 2.78 -1.14 0.16 0.00 0.39 -0.70 119.26 122.95 1axj h ALA 102 Ca 0.00 -0.03 0.33 0.00 0.00 0.00 0.00 54.91 55.21 1axj h ALA 102 Cb 0.85 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1axj h ALA 102 CO 0.00 -1.27 0.97 0.07 0.00 0.00 0.00 179.25 179.02 1axj h ARG 103 N 0.00 0.00 -7.79 0.00 0.11 -1.70 -3.42 114.38 101.58 1axj h ARG 103 Ca 0.43 0.00 -0.45 0.00 0.10 0.00 0.00 59.98 60.07 1axj h ARG 103 Cb 2.02 0.00 0.16 0.00 1.11 0.00 0.00 29.97 33.27 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 -4.74 1.44 0.00 4.08 0.08 -0.27 -5.05 117.98 113.53 1axj s PHE 104 Ca -0.04 0.22 0.03 0.00 0.12 0.00 0.00 56.93 57.25 1axj s PHE 104 Cb 0.20 -4.09 0.04 0.00 -0.57 0.00 0.00 43.02 38.61 1axj s PHE 104 CO 0.69 -2.67 1.01 1.17 -0.10 0.00 0.00 175.22 175.32 1axj n LYS 105 N -3.73 0.00 0.00 0.44 4.81 -1.26 -4.80 118.16 113.62 1axj n LYS 105 Ca 0.16 -1.08 0.00 0.00 -0.87 0.00 0.00 58.31 56.52 1axj n LYS 105 Cb 0.59 -0.44 0.00 0.00 0.02 0.00 0.00 35.03 35.21 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 0.05 0.00 -2.89 5.64 4.27 -1.26 -5.11 117.44 118.15 1axj n TRP 106 Ca 0.01 -0.07 -0.32 0.00 -3.89 0.00 0.00 57.50 53.23 1axj n TRP 106 Cb 0.74 -0.01 -0.06 0.00 -1.36 0.00 0.00 31.31 30.63 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 -0.13 3.19 -0.00 -1.67 0.00 -1.26 -4.23 121.76 117.65 1axj s ALA 107 Ca 0.00 0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.13 1axj s ALA 107 Cb 0.00 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 1axj s ALA 107 CO 0.00 0.14 0.03 -2.13 0.00 0.00 0.00 175.76 173.80 1axj n ARG 108 N -0.75 0.44 -3.55 0.00 0.63 0.65 -4.89 116.66 109.18 1axj n ARG 108 Ca 0.05 -0.01 -0.07 0.00 -0.92 0.00 0.00 57.85 56.90 1axj n ARG 108 Cb 0.54 -1.03 -0.02 0.00 0.45 0.00 0.00 32.46 32.40 1axj n ARG 108 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1axj s ALA 109 N -2.09 -1.85 -0.46 5.13 0.00 -0.65 -4.87 121.76 116.97 1axj s ALA 109 Ca -0.01 0.98 -0.13 0.00 0.00 0.00 0.00 51.96 52.81 1axj s ALA 109 Cb 0.01 0.36 0.08 0.00 0.00 0.00 0.00 23.12 23.57 1axj s ALA 109 CO 0.06 -0.73 0.35 0.00 0.00 0.00 0.00 175.76 175.44 1axj s ALA 110 N -3.01 3.46 -0.90 0.00 0.00 0.51 -1.54 121.76 120.27 1axj s ALA 110 Ca 0.07 -2.18 -0.25 0.00 0.00 0.00 0.00 51.96 49.60 1axj s ALA 110 Cb -0.01 -2.92 0.03 0.00 0.00 0.00 0.00 23.12 20.23 1axj s ALA 110 CO -0.07 -1.73 1.45 -1.17 0.00 0.00 0.00 175.76 174.24 1axj s LEU 111 N 1.54 3.36 0.05 0.00 2.96 0.48 -0.84 118.68 126.22 1axj s LEU 111 Ca 0.04 -0.99 -0.30 0.00 -0.22 0.00 0.00 54.13 52.66 1axj s LEU 111 Cb -0.24 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.84 1axj s LEU 111 CO 0.04 -1.75 1.01 -0.69 -1.32 0.00 0.00 176.35 173.64 1axj s VAL 112 N 5.81 4.61 -0.11 1.68 1.01 -0.18 -0.67 120.40 132.54 1axj s VAL 112 Ca 0.45 1.95 0.03 0.00 0.00 0.00 0.00 61.98 64.42 1axj s VAL 112 Cb -0.04 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1axj s VAL 112 CO 0.00 0.20 -0.22 -0.63 0.00 0.00 0.00 175.10 174.45 1axj s ILE 113 N 0.70 1.95 -0.83 2.22 1.01 0.14 -0.58 121.20 125.81 1axj s ILE 113 Ca 0.52 -0.94 -0.14 0.00 0.00 0.00 0.00 60.65 60.08 1axj s ILE 113 Cb -0.23 -1.70 0.21 0.00 0.01 0.00 0.00 42.46 40.74 1axj s ILE 113 CO 0.29 0.53 0.79 -0.89 0.00 0.00 0.00 174.94 175.66 1axj s THR 114 N 0.54 5.54 0.89 2.92 2.01 0.51 -1.00 115.64 127.05 1axj s THR 114 Ca -0.14 -2.37 -0.11 0.00 0.31 0.00 0.00 61.69 59.38 1axj s THR 114 Cb -0.17 -4.49 0.13 0.00 0.01 0.00 0.00 72.50 67.99 1axj s THR 114 CO 0.05 -1.06 1.16 -0.69 -0.69 0.00 0.00 174.62 173.38 1axj s VAL 115 N 0.40 2.08 0.05 3.82 1.01 -1.26 -1.22 120.40 125.29 1axj s VAL 115 Ca 0.18 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 1axj s VAL 115 Cb -0.10 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 1axj s VAL 115 CO -0.09 -0.03 -0.02 0.52 0.00 0.00 0.00 175.10 175.48 1axj n VAL 116 N -4.08 0.92 -3.76 2.92 0.31 -0.65 -4.76 118.33 109.23 1axj n VAL 116 Ca 0.12 0.27 -0.13 0.00 -0.01 0.00 0.00 64.34 64.59 1axj n VAL 116 Cb 0.52 -1.61 -0.11 0.00 -0.91 0.00 0.00 33.84 31.73 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 -5.75 -0.32 -0.03 4.52 0.01 -1.24 0.21 113.70 111.09 1axj s SER 117 Ca -0.02 0.58 0.07 0.00 1.31 0.00 0.00 55.95 57.89 1axj s SER 117 Cb 0.00 0.62 -0.02 0.00 0.21 0.00 0.00 66.02 66.84 1axj s SER 117 CO 0.03 -0.15 -0.25 0.00 0.41 0.00 0.00 173.24 173.29 1axj s ALA 118 N 0.00 2.06 0.02 1.44 0.00 -1.26 -2.38 121.76 121.65 1axj s ALA 118 Ca -0.02 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 1axj s ALA 118 Cb -0.03 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 1axj s ALA 118 CO 0.01 0.48 -0.01 -1.83 0.00 0.00 0.00 175.76 174.41 1axj s GLU 119 N -0.48 0.37 0.30 0.00 1.03 -0.20 -4.48 118.70 115.25 1axj s GLU 119 Ca 0.06 -0.66 -0.29 0.00 0.03 0.00 0.00 54.97 54.11 1axj s GLU 119 Cb -0.10 0.14 -0.10 0.00 -0.80 0.00 0.00 34.13 33.26 1axj s GLU 119 CO 0.00 -0.07 1.37 -1.14 -1.33 0.00 0.00 175.26 174.09 1axj s GLN 120 N -1.77 4.30 0.00 -4.83 2.00 -1.26 -0.56 119.66 117.53 1axj s GLN 120 Ca -0.13 2.28 0.00 0.00 -2.00 0.00 0.00 55.36 55.51 1axj s GLN 120 Cb -0.07 -3.08 0.00 0.00 0.80 0.00 0.00 33.01 30.66 1axj s GLN 120 CO -0.02 -0.31 0.00 0.25 -0.50 0.00 0.00 175.29 174.72 1axj n THR 121 N 1.34 0.00 0.96 -0.34 -2.24 -0.95 -4.80 114.28 108.26 1axj n THR 121 Ca 0.03 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.88 1axj n THR 121 Cb 0.41 -0.03 0.46 0.00 -2.10 0.00 0.00 70.33 69.06 1axj n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50