#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqz n PHE 1 N 0.00 1.20 -2.71 -1.40 7.35 -1.26 -5.00 117.46 115.64 2aqz n PHE 1 Ca 0.00 -1.73 -0.43 0.00 -0.76 0.00 0.00 57.45 54.53 2aqz n PHE 1 Cb 0.00 -0.27 -0.03 0.00 0.35 0.00 0.00 39.48 39.54 2aqz n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 2aqz s ASN 2 N -3.29 6.93 0.03 -2.13 0.01 -1.26 -5.01 114.94 110.21 2aqz s ASN 2 Ca 0.41 1.07 0.01 0.00 -0.71 0.00 0.00 52.86 53.64 2aqz s ASN 2 Cb 0.38 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.49 2aqz s ASN 2 CO -0.04 -0.76 0.11 -0.76 -1.51 0.00 0.00 177.10 174.14 2aqz s LEU 3 N 3.37 3.96 0.48 0.60 1.43 -1.26 -0.94 118.68 126.33 2aqz s LEU 3 Ca 0.42 0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 53.48 2aqz s LEU 3 Cb -0.13 -2.46 -0.08 0.00 0.03 0.00 0.00 46.19 43.54 2aqz s LEU 3 CO 0.12 0.22 0.95 -2.16 0.23 0.00 0.00 176.35 175.71 2aqz s PRO 4 N -2.08 3.99 0.77 1.29 0.04 -1.26 -4.61 135.00 133.14 2aqz s PRO 4 Ca 0.27 0.93 -0.11 0.00 0.04 0.00 0.00 61.00 62.13 2aqz s PRO 4 Cb -0.12 -2.18 0.05 0.00 0.04 0.00 0.00 34.50 32.30 2aqz s PRO 4 CO 0.19 -0.19 1.08 -1.25 0.04 0.00 0.00 177.00 176.87 2aqz s PRO 5 N -3.86 2.28 0.00 0.56 0.04 -1.26 -4.97 135.00 127.80 2aqz s PRO 5 Ca 0.59 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.43 2aqz s PRO 5 Cb -0.10 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2aqz s PRO 5 CO 0.28 -1.52 0.00 0.41 0.04 0.00 0.00 177.00 176.21 2aqz n GLY 6 N -1.90 2.69 3.54 0.56 0.00 -1.26 -5.13 105.19 103.69 2aqz n GLY 6 Ca 0.07 -2.12 -0.26 0.00 0.00 0.00 0.00 46.02 43.72 2aqz n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aqz s ASN 7 N 0.00 2.92 -0.06 1.61 2.20 -1.26 -5.05 114.94 115.29 2aqz s ASN 7 Ca 0.00 -1.60 0.15 0.00 -0.94 0.00 0.00 52.86 50.47 2aqz s ASN 7 Cb 0.00 0.35 0.47 0.00 -2.00 0.00 0.00 41.25 40.07 2aqz s ASN 7 CO 0.00 -0.83 1.39 -1.22 -2.94 0.00 0.00 177.10 173.50 2aqz n TYR 8 N -0.91 0.83 0.22 1.54 4.01 -1.26 -4.58 117.16 117.01 2aqz n TYR 8 Ca -0.07 -0.61 0.06 0.00 -0.16 0.00 0.00 57.90 57.12 2aqz n TYR 8 Cb 0.66 -0.14 0.52 0.00 -0.31 0.00 0.00 39.34 40.07 2aqz n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2aqz h LYS 9 N 2.58 0.00 -5.23 -0.72 1.57 -1.97 -3.45 116.57 109.36 2aqz h LYS 9 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 2aqz h LYS 9 Cb 1.07 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.23 2aqz h LYS 9 CO 0.10 0.20 -0.72 0.15 -0.57 0.00 0.00 179.45 178.61 2aqz s LYS 10 N -4.53 1.17 0.80 3.15 1.02 -1.26 -5.14 119.74 114.95 2aqz s LYS 10 Ca -0.04 -1.51 -0.11 0.00 0.02 0.00 0.00 55.97 54.33 2aqz s LYS 10 Cb 0.15 -0.78 0.07 0.00 -0.52 0.00 0.00 37.83 36.75 2aqz s LYS 10 CO 0.69 0.10 1.09 -1.25 -0.92 0.00 0.00 175.35 175.05 2aqz s PRO 11 N -3.72 2.03 0.23 -1.68 0.04 -1.26 -4.73 135.00 125.90 2aqz s PRO 11 Ca 0.19 0.92 -0.08 0.00 0.04 0.00 0.00 61.00 62.07 2aqz s PRO 11 Cb 0.02 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 2aqz s PRO 11 CO 0.03 -1.73 0.34 0.15 0.04 0.00 0.00 177.00 175.82 2aqz s LYS 12 N -4.99 1.40 -0.10 4.56 1.02 0.24 -4.06 119.74 117.82 2aqz s LYS 12 Ca 0.61 -1.40 -0.01 0.00 0.02 0.00 0.00 55.97 55.19 2aqz s LYS 12 Cb -0.16 0.39 -0.03 0.00 -0.52 0.00 0.00 37.83 37.51 2aqz s LYS 12 CO 0.56 -0.54 -0.05 -0.51 -0.92 0.00 0.00 175.35 173.89 2aqz s LEU 13 N -3.07 3.23 -0.43 3.17 1.43 0.60 -0.94 118.68 122.67 2aqz s LEU 13 Ca 0.29 -0.05 -0.09 0.00 -1.03 0.00 0.00 54.13 53.26 2aqz s LEU 13 Cb 0.02 -1.73 0.09 0.00 0.03 0.00 0.00 46.19 44.60 2aqz s LEU 13 CO 0.10 0.29 0.27 -0.76 0.23 0.00 0.00 176.35 176.49 2aqz s LEU 14 N -0.39 5.24 -0.38 1.79 1.43 -1.26 -0.01 118.68 125.09 2aqz s LEU 14 Ca 0.06 -1.59 -0.20 0.00 -1.03 0.00 0.00 54.13 51.37 2aqz s LEU 14 Cb -0.12 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 44.12 2aqz s LEU 14 CO 0.02 -0.56 0.62 -0.47 0.23 0.00 0.00 176.35 176.19 2aqz s TYR 15 N 1.40 3.13 0.29 0.29 5.04 -0.67 -1.25 117.35 125.59 2aqz s TYR 15 Ca 0.04 0.20 -0.29 0.00 -2.44 0.00 0.00 57.07 54.58 2aqz s TYR 15 Cb -0.24 -3.17 -0.09 0.00 0.35 0.00 0.00 41.96 38.81 2aqz s TYR 15 CO 0.01 -0.69 1.06 0.00 -1.34 0.00 0.00 175.55 174.60 2aqz n THR 17 N 1.02 0.98 1.18 0.00 -2.24 -0.07 -1.27 114.28 113.87 2aqz n THR 17 Ca -0.00 0.55 0.11 0.00 -2.27 0.00 0.00 64.05 62.44 2aqz n THR 17 Cb 0.46 -1.52 0.60 0.00 -2.10 0.00 0.00 70.33 67.76 2aqz n THR 17 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2aqz n THR 18 N -2.24 0.20 0.00 4.28 -2.24 -1.26 -4.88 114.28 108.14 2aqz n THR 18 Ca -0.00 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2aqz n THR 18 Cb 0.10 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 2aqz n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aqz n GLY 20 N 0.52 1.20 3.13 3.38 0.00 -0.40 -4.63 105.19 108.39 2aqz n GLY 20 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 2aqz n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aqz s HIS 21 N -2.00 0.87 0.04 1.61 0.09 -1.21 -4.54 115.29 110.14 2aqz s HIS 21 Ca 0.00 -0.67 -0.19 0.00 -0.00 0.00 0.00 55.06 54.20 2aqz s HIS 21 Cb 0.00 -0.50 -0.06 0.00 -0.00 0.00 0.00 32.58 32.02 2aqz s HIS 21 CO 0.00 -0.08 0.54 -0.06 -0.00 0.00 0.00 174.74 175.14 2aqz s PHE 22 N -2.37 3.76 0.16 1.40 0.08 0.57 -0.36 117.98 121.22 2aqz s PHE 22 Ca 0.01 1.19 -0.31 0.00 0.12 0.00 0.00 56.93 57.94 2aqz s PHE 22 Cb -0.03 -2.48 -0.09 0.00 -0.57 0.00 0.00 43.02 39.85 2aqz s PHE 22 CO -0.01 0.54 1.47 -1.17 -0.10 0.00 0.00 175.22 175.95 2aqz s LEU 23 N -0.87 4.38 -0.02 -0.37 2.96 -0.38 -1.75 118.68 122.63 2aqz s LEU 23 Ca 0.28 2.50 0.05 0.00 -0.22 0.00 0.00 54.13 56.74 2aqz s LEU 23 Cb -0.19 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.90 2aqz s LEU 23 CO 0.17 -0.72 -0.17 -0.60 -1.32 0.00 0.00 176.35 173.71 2aqz s ARG 24 N 0.83 1.43 -0.24 1.98 3.52 0.11 -4.51 118.95 122.06 2aqz s ARG 24 Ca 0.66 -0.62 0.02 0.00 -0.13 0.00 0.00 55.73 55.66 2aqz s ARG 24 Cb -0.40 -1.37 0.05 0.00 -1.56 0.00 0.00 34.95 31.67 2aqz s ARG 24 CO 0.33 0.36 -0.12 0.42 -0.81 0.00 0.00 175.30 175.49 2aqz s ILE 25 N -0.37 2.01 0.47 4.11 1.01 -0.91 -1.51 121.20 126.01 2aqz s ILE 25 Ca 0.06 -1.40 -0.06 0.00 0.00 0.00 0.00 60.65 59.25 2aqz s ILE 25 Cb -0.07 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 2aqz s ILE 25 CO -0.00 0.08 0.79 -0.76 0.00 0.00 0.00 174.94 175.04 2aqz s LEU 26 N 1.20 3.66 0.29 2.97 1.43 0.65 -4.79 118.68 124.09 2aqz s LEU 26 Ca -0.05 0.99 0.04 0.00 -1.03 0.00 0.00 54.13 54.08 2aqz s LEU 26 Cb -0.18 -3.93 0.70 0.00 0.03 0.00 0.00 46.19 42.81 2aqz s LEU 26 CO -0.07 -0.55 1.75 -0.65 0.23 0.00 0.00 176.35 177.07 2aqz h PRO 27 N 0.43 0.63 0.00 1.29 0.11 -1.99 0.16 132.00 132.63 2aqz h PRO 27 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2aqz h PRO 27 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2aqz h PRO 27 CO 0.62 0.42 0.00 -0.40 -0.21 0.00 0.00 178.00 178.43 2aqz n ASP 28 N -4.85 0.00 0.00 -2.05 5.75 -1.26 -4.84 116.55 109.29 2aqz n ASP 28 Ca 0.22 -1.06 0.00 0.00 -0.01 0.00 0.00 54.79 53.94 2aqz n ASP 28 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 2aqz n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2aqz n GLY 29 N 0.70 0.28 3.75 6.12 0.00 0.04 -4.96 105.19 111.12 2aqz n GLY 29 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2aqz n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aqz s THR 30 N -2.08 2.70 -0.18 2.61 2.01 -1.25 -0.39 115.64 119.07 2aqz s THR 30 Ca 0.00 0.62 -0.01 0.00 0.31 0.00 0.00 61.69 62.61 2aqz s THR 30 Cb 0.00 -3.39 -0.00 0.00 0.01 0.00 0.00 72.50 69.11 2aqz s THR 30 CO 0.00 0.11 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.23 2aqz s VAL 31 N -0.32 2.83 0.00 3.82 1.01 -1.26 -0.25 120.40 126.23 2aqz s VAL 31 Ca 0.56 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.84 2aqz s VAL 31 Cb -0.41 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 33.75 2aqz s VAL 31 CO 0.46 0.49 0.00 -0.90 0.00 0.00 0.00 175.10 175.15 2aqz n ASP 32 N 4.32 0.00 -4.17 3.32 5.75 -0.57 -4.47 116.55 120.73 2aqz n ASP 32 Ca -0.19 0.00 -0.17 0.00 -0.01 0.00 0.00 54.79 54.42 2aqz n ASP 32 Cb 0.51 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.49 2aqz n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2aqz s GLY 33 N 0.00 0.85 0.02 6.12 0.00 0.47 0.05 107.32 114.83 2aqz s GLY 33 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.67 2aqz s GLY 33 CO 0.00 -1.09 -0.03 -1.08 0.00 0.00 0.00 173.10 170.90 2aqz s THR 34 N -1.62 0.13 -0.59 0.90 -1.32 -0.71 -4.79 115.64 107.63 2aqz s THR 34 Ca -0.00 -0.79 0.24 0.00 -1.21 0.00 0.00 61.69 59.93 2aqz s THR 34 Cb -0.08 -0.25 0.06 0.00 -1.51 0.00 0.00 72.50 70.72 2aqz s THR 34 CO 0.02 -0.42 1.31 0.03 -2.21 0.00 0.00 174.62 173.35 2aqz h ARG 35 N 4.85 0.00 -6.46 7.08 3.08 -1.89 0.16 114.38 121.21 2aqz h ARG 35 Ca -0.31 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.19 2aqz h ARG 35 Cb 1.21 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.20 2aqz h ARG 35 CO 0.42 0.00 1.09 0.34 -1.07 0.00 0.00 179.97 180.75 2aqz s ASP 36 N -4.45 6.21 0.33 7.04 2.15 -1.26 -4.87 116.67 121.81 2aqz s ASP 36 Ca 0.06 0.47 0.26 0.00 0.43 0.00 0.00 52.55 53.76 2aqz s ASP 36 Cb 0.13 -2.54 1.10 0.00 -0.30 0.00 0.00 42.92 41.30 2aqz s ASP 36 CO 0.72 -1.61 1.77 -0.09 -0.17 0.00 0.00 175.17 175.80 2aqz h ARG 37 N 10.92 0.00 -0.25 4.34 1.12 -2.02 -2.24 114.38 126.25 2aqz h ARG 37 Ca -0.27 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.60 2aqz h ARG 37 Cb 1.10 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.06 2aqz h ARG 37 CO 1.15 0.00 0.00 -1.13 -3.11 0.00 0.00 179.97 176.88 2aqz n SER 38 N -2.42 1.55 -4.75 -3.80 3.41 -1.26 -4.89 113.62 101.46 2aqz n SER 38 Ca 0.01 -1.89 -0.41 0.00 -0.26 0.00 0.00 58.87 56.33 2aqz n SER 38 Cb 0.23 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 63.99 2aqz n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2aqz s ASP 39 N -1.19 6.76 0.00 4.04 -1.08 -0.84 -4.91 116.67 119.45 2aqz s ASP 39 Ca 0.24 2.58 0.10 0.00 -0.52 0.00 0.00 52.55 54.96 2aqz s ASP 39 Cb 0.13 -2.62 0.30 0.00 -1.46 0.00 0.00 42.92 39.27 2aqz s ASP 39 CO 0.18 -0.61 1.25 0.00 0.52 0.00 0.00 175.17 176.51 2aqz n GLN 40 N 2.10 1.77 -0.06 4.34 1.13 -1.26 -3.86 117.38 121.54 2aqz n GLN 40 Ca 0.05 -1.20 0.09 0.00 -1.94 0.00 0.00 57.00 54.00 2aqz n GLN 40 Cb 0.41 -1.26 0.13 0.00 0.11 0.00 0.00 30.24 29.63 2aqz n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2aqz n HIS 41 N 0.47 0.00 0.51 1.08 8.25 -1.26 -4.61 115.22 119.67 2aqz n HIS 41 Ca 0.11 -0.95 0.05 0.00 -0.26 0.00 0.00 57.72 56.68 2aqz n HIS 41 Cb 0.28 -0.14 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 2aqz n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2aqz n ILE 42 N -1.35 0.00 -2.45 1.59 -5.35 -1.25 -2.13 119.36 108.42 2aqz n ILE 42 Ca 0.14 -0.31 -0.43 0.00 -0.27 0.00 0.00 62.75 61.89 2aqz n ILE 42 Cb 0.60 1.06 -0.02 0.00 -1.74 0.00 0.00 39.64 39.54 2aqz n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2aqz s GLN 43 N -1.78 4.14 -0.04 6.28 1.11 -1.26 -4.50 119.66 123.61 2aqz s GLN 43 Ca 0.07 1.50 0.06 0.00 0.01 0.00 0.00 55.36 57.00 2aqz s GLN 43 Cb 0.09 -3.78 -0.01 0.00 -1.01 0.00 0.00 33.01 28.29 2aqz s GLN 43 CO 0.37 -0.82 -0.22 -0.51 0.01 0.00 0.00 175.29 174.13 2aqz s LEU 44 N 3.72 2.01 -0.30 2.90 1.43 -0.12 -2.63 118.68 125.68 2aqz s LEU 44 Ca 0.54 -0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 53.12 2aqz s LEU 44 Cb -0.19 -1.19 0.00 0.00 0.03 0.00 0.00 46.19 44.84 2aqz s LEU 44 CO 0.16 0.22 0.11 -1.58 0.23 0.00 0.00 176.35 175.49 2aqz s GLN 45 N -0.17 3.21 0.17 1.70 2.00 0.75 -0.59 119.66 126.74 2aqz s GLN 45 Ca -0.01 -0.78 -0.07 0.00 -2.00 0.00 0.00 55.36 52.50 2aqz s GLN 45 Cb -0.12 -3.44 -0.06 0.00 0.80 0.00 0.00 33.01 30.19 2aqz s GLN 45 CO 0.02 -0.42 0.44 -0.51 -0.50 0.00 0.00 175.29 174.32 2aqz s LEU 46 N 1.55 4.23 -0.04 3.68 1.02 -1.26 -0.89 118.68 126.97 2aqz s LEU 46 Ca 0.04 0.71 -0.12 0.00 0.02 0.00 0.00 54.13 54.78 2aqz s LEU 46 Cb -0.17 -3.44 0.02 0.00 0.02 0.00 0.00 46.19 42.62 2aqz s LEU 46 CO 0.04 0.01 0.27 -0.94 0.02 0.00 0.00 176.35 175.74 2aqz s SER 47 N -2.40 -0.17 -0.03 2.29 1.04 -0.88 -4.78 113.70 108.77 2aqz s SER 47 Ca 0.43 0.16 -0.06 0.00 0.48 0.00 0.00 55.95 56.96 2aqz s SER 47 Cb -0.12 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 2aqz s SER 47 CO 0.23 -0.33 0.22 0.00 0.98 0.00 0.00 173.24 174.34 2aqz s ALA 48 N -0.93 3.88 -0.11 5.32 0.00 -1.26 -0.34 121.76 128.31 2aqz s ALA 48 Ca -0.10 -0.62 -0.10 0.00 0.00 0.00 0.00 51.96 51.14 2aqz s ALA 48 Cb -0.05 -2.01 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 2aqz s ALA 48 CO 0.03 0.66 -0.19 -1.91 0.00 0.00 0.00 175.76 174.35 2aqz n GLU 49 N 1.34 0.35 -4.55 0.00 4.07 -0.52 -4.95 120.64 116.39 2aqz n GLU 49 Ca -0.14 0.31 -0.25 0.00 -0.06 0.00 0.00 57.16 57.02 2aqz n GLU 49 Cb 0.53 -1.30 -0.11 0.00 -0.06 0.00 0.00 31.44 30.50 2aqz n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2aqz s SER 50 N -5.23 3.24 0.05 4.31 0.01 -1.26 -5.02 113.70 109.81 2aqz s SER 50 Ca -0.15 -1.37 -0.34 0.00 1.31 0.00 0.00 55.95 55.40 2aqz s SER 50 Cb 0.02 -0.27 -0.13 0.00 0.21 0.00 0.00 66.02 65.86 2aqz s SER 50 CO 0.23 -0.51 1.72 0.52 0.41 0.00 0.00 173.24 175.60 2aqz n VAL 51 N -0.85 0.27 -0.61 3.43 0.31 -1.26 -1.25 118.33 118.36 2aqz n VAL 51 Ca -0.04 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2aqz n VAL 51 Cb 0.67 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 2aqz n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2aqz n GLY 52 N 3.87 1.38 3.46 2.92 0.00 -1.26 -5.01 105.19 110.54 2aqz n GLY 52 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2aqz n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2aqz s GLU 53 N -0.15 3.57 0.12 1.61 2.02 -0.38 -1.44 118.70 124.04 2aqz s GLU 53 Ca 0.00 -0.58 0.03 0.00 0.02 0.00 0.00 54.97 54.45 2aqz s GLU 53 Cb 0.00 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.37 2aqz s GLU 53 CO 0.00 0.24 -0.09 0.14 0.02 0.00 0.00 175.26 175.57 2aqz s VAL 54 N 0.34 0.95 0.09 2.63 -7.23 -0.12 -1.43 120.40 115.63 2aqz s VAL 54 Ca -0.06 -1.90 0.04 0.00 -1.81 0.00 0.00 61.98 58.25 2aqz s VAL 54 Cb -0.15 -1.65 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 2aqz s VAL 54 CO 0.04 -0.73 0.03 -0.31 -0.31 0.00 0.00 175.10 173.82 2aqz s TYR 55 N -3.16 3.05 -0.23 2.82 2.02 0.54 -1.66 117.35 120.73 2aqz s TYR 55 Ca 0.12 0.00 0.01 0.00 -0.37 0.00 0.00 57.07 56.83 2aqz s TYR 55 Cb 0.02 -1.56 0.06 0.00 -0.40 0.00 0.00 41.96 40.08 2aqz s TYR 55 CO -0.01 0.50 -0.06 0.42 -1.57 0.00 0.00 175.55 174.82 2aqz s ILE 56 N -1.36 1.58 -0.04 2.71 1.01 -1.26 -2.07 121.20 121.77 2aqz s ILE 56 Ca 0.27 -1.23 0.04 0.00 0.00 0.00 0.00 60.65 59.73 2aqz s ILE 56 Cb -0.12 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 2aqz s ILE 56 CO 0.20 -0.08 -0.15 -0.75 0.00 0.00 0.00 174.94 174.16 2aqz s LYS 57 N 1.38 2.46 -0.20 2.79 2.20 -0.07 -0.27 119.74 128.02 2aqz s LYS 57 Ca -0.06 -0.72 -0.29 0.00 -0.36 0.00 0.00 55.97 54.54 2aqz s LYS 57 Cb -0.19 -2.36 -0.02 0.00 -1.51 0.00 0.00 37.83 33.76 2aqz s LYS 57 CO -0.06 0.62 1.38 0.45 -0.36 0.00 0.00 175.35 177.38 2aqz s SER 58 N -0.81 6.73 0.27 1.43 0.15 0.52 -0.18 113.70 121.81 2aqz s SER 58 Ca 0.12 1.60 0.25 0.00 0.70 0.00 0.00 55.95 58.62 2aqz s SER 58 Cb -0.11 -2.54 0.91 0.00 -1.71 0.00 0.00 66.02 62.58 2aqz s SER 58 CO 0.01 -0.96 1.75 0.71 1.20 0.00 0.00 173.24 175.95 2aqz h THR 59 N 5.76 0.00 0.14 6.45 1.35 -1.83 0.31 112.91 125.10 2aqz h THR 59 Ca -0.29 -0.39 -0.36 0.00 -0.55 0.00 0.00 66.41 64.83 2aqz h THR 59 Cb 1.12 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.79 2aqz h THR 59 CO 0.99 0.00 -1.89 -0.08 -0.25 0.00 0.00 175.52 174.30 2aqz h GLU 60 N 0.00 0.31 0.00 4.72 4.57 -1.83 -3.41 114.58 118.94 2aqz h GLU 60 Ca 0.00 -0.52 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 2aqz h GLU 60 Cb 0.55 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 2aqz h GLU 60 CO 0.00 1.23 -0.59 0.25 -1.18 0.00 0.00 179.01 178.72 2aqz n THR 61 N -3.51 0.00 -0.84 0.32 -2.24 -1.22 -5.01 114.28 101.78 2aqz n THR 61 Ca -0.28 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 2aqz n THR 61 Cb 1.06 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 70.12 2aqz n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aqz n GLY 62 N 1.40 1.28 3.81 3.38 0.00 0.11 -5.01 105.19 110.16 2aqz n GLY 62 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2aqz n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aqz s GLN 63 N -0.02 3.11 -0.03 1.61 -0.21 -1.25 -4.69 119.66 118.18 2aqz s GLN 63 Ca 0.00 1.09 0.02 0.00 0.02 0.00 0.00 55.36 56.49 2aqz s GLN 63 Cb 0.00 -2.01 -0.03 0.00 1.00 0.00 0.00 33.01 31.97 2aqz s GLN 63 CO 0.00 -0.97 -0.05 0.71 -2.12 0.00 0.00 175.29 172.86 2aqz s TYR 64 N -2.74 2.96 0.29 0.91 1.51 0.44 -0.35 117.35 120.37 2aqz s TYR 64 Ca 0.61 0.03 -0.29 0.00 -1.01 0.00 0.00 57.07 56.40 2aqz s TYR 64 Cb -0.15 -1.67 -0.10 0.00 -0.11 0.00 0.00 41.96 39.93 2aqz s TYR 64 CO 0.46 0.39 1.29 -1.17 -1.11 0.00 0.00 175.55 175.41 2aqz s LEU 65 N -1.20 4.44 0.10 -1.29 2.96 0.63 0.02 118.68 124.32 2aqz s LEU 65 Ca 0.16 2.57 -0.05 0.00 -0.22 0.00 0.00 54.13 56.59 2aqz s LEU 65 Cb -0.11 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 42.92 2aqz s LEU 65 CO 0.06 -0.50 0.11 0.00 -1.32 0.00 0.00 176.35 174.70 2aqz s ALA 66 N -0.75 0.24 -0.09 5.97 0.00 0.03 -4.37 121.76 122.78 2aqz s ALA 66 Ca 0.51 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2aqz s ALA 66 Cb -0.38 0.55 0.02 0.00 0.00 0.00 0.00 23.12 23.32 2aqz s ALA 66 CO 0.47 -0.49 -0.07 1.41 0.00 0.00 0.00 175.76 177.09 2aqz s MET 67 N -3.93 1.30 0.92 0.00 1.75 -0.81 -1.22 119.30 117.30 2aqz s MET 67 Ca 0.11 -0.19 -0.14 0.00 -1.25 0.00 0.00 55.69 54.21 2aqz s MET 67 Cb 0.06 -1.34 0.21 0.00 2.84 0.00 0.00 34.83 36.59 2aqz s MET 67 CO -0.06 -0.20 1.25 -0.40 -0.65 0.00 0.00 175.02 174.96 2aqz n ASP 68 N 4.67 0.23 0.00 1.11 5.68 -0.17 -4.84 116.55 123.23 2aqz n ASP 68 Ca -0.15 -1.54 0.04 0.00 -0.50 0.00 0.00 54.79 52.65 2aqz n ASP 68 Cb 0.50 -0.94 0.19 0.00 -1.14 0.00 0.00 41.12 39.73 2aqz n ASP 68 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2aqz n THR 69 N -3.67 1.27 1.03 2.12 -2.24 -1.26 -0.60 114.28 110.92 2aqz n THR 69 Ca 0.16 0.32 0.11 0.00 -2.27 0.00 0.00 64.05 62.37 2aqz n THR 69 Cb 0.56 -1.17 0.04 0.00 -2.10 0.00 0.00 70.33 67.67 2aqz n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2aqz n ASP 70 N -1.45 1.96 0.00 3.42 8.00 -1.26 -4.95 116.55 122.26 2aqz n ASP 70 Ca 0.03 -1.47 0.00 0.00 0.71 0.00 0.00 54.79 54.06 2aqz n ASP 70 Cb 0.09 0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2aqz n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aqz n GLY 71 N 1.41 0.80 3.82 0.44 0.00 0.23 -4.58 105.19 107.29 2aqz n GLY 71 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2aqz n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqz s LEU 72 N 0.00 4.51 0.37 0.99 2.01 -1.26 -0.23 118.68 125.07 2aqz s LEU 72 Ca 0.00 1.18 -0.20 0.00 0.01 0.00 0.00 54.13 55.13 2aqz s LEU 72 Cb 0.00 -2.83 -0.10 0.00 0.01 0.00 0.00 46.19 43.27 2aqz s LEU 72 CO 0.00 0.29 0.87 -0.76 1.01 0.00 0.00 176.35 177.75 2aqz s LEU 73 N -1.12 4.05 0.13 1.79 1.43 -1.26 -1.00 118.68 122.70 2aqz s LEU 73 Ca 0.28 1.56 -0.24 0.00 -1.03 0.00 0.00 54.13 54.69 2aqz s LEU 73 Cb -0.19 -4.27 0.08 0.00 0.03 0.00 0.00 46.19 41.83 2aqz s LEU 73 CO 0.18 -0.25 0.65 -0.72 0.23 0.00 0.00 176.35 176.43 2aqz s TYR 74 N -2.01 -0.51 -0.17 0.29 1.13 -0.36 -4.56 117.35 111.16 2aqz s TYR 74 Ca 0.57 0.32 -0.18 0.00 -1.41 0.00 0.00 57.07 56.37 2aqz s TYR 74 Cb -0.11 0.55 -0.04 0.00 -1.10 0.00 0.00 41.96 41.27 2aqz s TYR 74 CO 0.16 -0.79 0.48 0.20 -2.51 0.00 0.00 175.55 173.09 2aqz s GLY 75 N -2.68 2.21 -0.02 5.49 0.00 0.48 -0.79 107.32 112.00 2aqz s GLY 75 Ca 0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 44.72 44.38 2aqz s GLY 75 CO -0.12 0.91 0.14 -0.45 0.00 0.00 0.00 173.10 173.58 2aqz s SER 76 N 0.91 6.11 0.34 1.64 0.15 0.10 -4.77 113.70 118.19 2aqz s SER 76 Ca 0.24 0.28 0.16 0.00 0.70 0.00 0.00 55.95 57.33 2aqz s SER 76 Cb -0.15 -1.87 0.59 0.00 -1.71 0.00 0.00 66.02 62.88 2aqz s SER 76 CO 0.09 0.28 1.70 1.56 1.20 0.00 0.00 173.24 178.08 2aqz h GLN 77 N 4.05 0.00 -5.72 5.44 1.08 -1.92 0.13 115.11 118.17 2aqz h GLN 77 Ca -0.50 0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.23 2aqz h GLN 77 Cb 1.19 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 28.45 2aqz h GLN 77 CO 0.65 0.45 -0.76 0.95 -0.95 0.00 0.00 178.83 179.17 2aqz s THR 78 N -3.65 1.67 -0.92 -0.54 -4.23 -1.26 -4.81 115.64 101.90 2aqz s THR 78 Ca -0.01 -1.93 -0.18 0.00 -1.18 0.00 0.00 61.69 58.39 2aqz s THR 78 Cb 0.12 -1.81 0.14 0.00 1.34 0.00 0.00 72.50 72.29 2aqz s THR 78 CO 0.71 -0.41 1.09 -2.16 -0.54 0.00 0.00 174.62 173.31 2aqz s PRO 79 N -2.96 3.61 0.00 3.99 0.04 -1.26 -4.73 135.00 133.68 2aqz s PRO 79 Ca 0.16 -1.87 0.00 0.00 0.04 0.00 0.00 61.00 59.32 2aqz s PRO 79 Cb -0.04 -4.86 0.00 0.00 0.04 0.00 0.00 34.50 29.64 2aqz s PRO 79 CO 0.06 -1.71 0.00 0.27 0.04 0.00 0.00 177.00 175.66 2aqz n ASN 80 N 6.18 1.15 0.32 6.66 0.23 -1.26 -4.96 115.26 123.58 2aqz n ASN 80 Ca 0.23 -0.78 0.19 0.00 -0.53 0.00 0.00 54.58 53.69 2aqz n ASN 80 Cb 0.49 0.00 1.05 0.00 -2.08 0.00 0.00 39.78 39.24 2aqz n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2aqz h GLU 81 N 0.00 0.00 -0.00 -3.83 4.11 -1.99 -0.57 114.58 112.31 2aqz h GLU 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2aqz h GLU 81 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2aqz h GLU 81 CO 0.00 0.00 -0.00 0.39 0.07 0.00 0.00 179.01 179.47 2aqz n GLU 82 N -3.51 0.16 -0.16 1.06 1.02 -1.26 -3.55 120.64 114.40 2aqz n GLU 82 Ca -0.03 -0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.21 2aqz n GLU 82 Cb 0.08 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.17 2aqz n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2aqz s LEU 84 N -1.31 4.32 0.03 0.00 1.43 -1.23 -4.45 118.68 117.47 2aqz s LEU 84 Ca 0.32 0.72 0.05 0.00 -1.03 0.00 0.00 54.13 54.18 2aqz s LEU 84 Cb 0.19 -2.51 -0.02 0.00 0.03 0.00 0.00 46.19 43.88 2aqz s LEU 84 CO 0.26 0.15 -0.14 -0.36 0.23 0.00 0.00 176.35 176.48 2aqz s PHE 85 N 0.02 1.25 -0.51 0.29 0.40 -0.66 -1.50 117.98 117.27 2aqz s PHE 85 Ca 0.21 -0.33 -0.24 0.00 -0.60 0.00 0.00 56.93 55.98 2aqz s PHE 85 Cb -0.15 -0.76 0.04 0.00 0.51 0.00 0.00 43.02 42.66 2aqz s PHE 85 CO 0.08 0.02 0.90 -0.51 0.70 0.00 0.00 175.22 176.41 2aqz s LEU 86 N -0.95 4.15 -0.33 -0.37 1.43 0.13 -0.95 118.68 121.79 2aqz s LEU 86 Ca 0.03 -0.23 -0.24 0.00 -1.03 0.00 0.00 54.13 52.65 2aqz s LEU 86 Cb -0.07 -2.91 0.01 0.00 0.03 0.00 0.00 46.19 43.24 2aqz s LEU 86 CO 0.01 -1.12 0.83 -0.70 0.23 0.00 0.00 176.35 175.60 2aqz s GLU 87 N 3.73 3.91 0.12 1.70 2.12 -0.52 -1.57 118.70 128.20 2aqz s GLU 87 Ca 0.31 0.57 0.04 0.00 0.36 0.00 0.00 54.97 56.25 2aqz s GLU 87 Cb -0.12 -3.76 -0.04 0.00 0.26 0.00 0.00 34.13 30.47 2aqz s GLU 87 CO 0.21 -0.77 -0.10 1.03 -0.54 0.00 0.00 175.26 175.09 2aqz s ARG 88 N 3.11 0.97 0.38 4.30 1.81 -0.22 -4.63 118.95 124.67 2aqz s ARG 88 Ca 0.34 -1.34 -0.17 0.00 -1.72 0.00 0.00 55.73 52.84 2aqz s ARG 88 Cb -0.13 -0.56 -0.10 0.00 -0.45 0.00 0.00 34.95 33.71 2aqz s ARG 88 CO 0.14 0.07 0.84 -1.17 -0.68 0.00 0.00 175.30 174.50 2aqz s LEU 89 N -2.89 3.97 -0.00 2.53 2.96 -0.12 -0.52 118.68 124.60 2aqz s LEU 89 Ca 0.12 1.45 0.00 0.00 -0.22 0.00 0.00 54.13 55.49 2aqz s LEU 89 Cb 0.01 -4.29 0.00 0.00 0.50 0.00 0.00 46.19 42.42 2aqz s LEU 89 CO -0.00 -0.30 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.02 2aqz s GLU 90 N -3.19 0.12 -1.29 1.98 2.56 0.32 -4.83 118.70 114.38 2aqz s GLU 90 Ca 0.57 -0.02 -0.04 0.00 0.00 0.00 0.00 54.97 55.48 2aqz s GLU 90 Cb -0.10 -0.15 0.02 0.00 2.00 0.00 0.00 34.13 35.91 2aqz s GLU 90 CO 0.17 0.00 0.28 0.39 -0.56 0.00 0.00 175.26 175.55 2aqz n GLU 91 N 3.21 -3.09 -2.15 4.30 1.02 -1.26 -0.82 120.64 121.85 2aqz n GLU 91 Ca -0.15 0.65 -0.15 0.00 -0.02 0.00 0.00 57.16 57.50 2aqz n GLU 91 Cb 0.58 -5.34 -0.02 0.00 -0.02 0.00 0.00 31.44 26.63 2aqz n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2aqz n ASN 92 N -2.12 -4.29 0.00 1.62 4.13 -1.26 -4.62 115.26 108.72 2aqz n ASN 92 Ca -0.11 0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.36 2aqz n ASN 92 Cb 0.60 -3.70 0.00 0.00 -1.54 0.00 0.00 39.78 35.14 2aqz n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 2aqz n HIS 93 N -3.11 -1.18 -2.48 3.10 -0.00 -0.00 -5.15 115.22 106.39 2aqz n HIS 93 Ca -0.17 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.27 2aqz n HIS 93 Cb 0.59 0.39 0.00 0.00 -0.00 0.00 0.00 29.99 30.98 2aqz n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2aqz s TYR 94 N -1.79 3.57 -0.16 1.57 2.02 -0.13 -4.84 117.35 117.58 2aqz s TYR 94 Ca 0.00 0.90 -0.08 0.00 -0.37 0.00 0.00 57.07 57.52 2aqz s TYR 94 Cb 0.00 -2.40 -0.04 0.00 -0.40 0.00 0.00 41.96 39.12 2aqz s TYR 94 CO 0.00 -0.38 0.11 -0.80 -1.57 0.00 0.00 175.55 172.91 2aqz s ASN 95 N -4.13 6.04 0.15 2.29 -0.87 0.20 -0.52 114.94 118.10 2aqz s ASN 95 Ca 0.49 0.25 0.07 0.00 -1.57 0.00 0.00 52.86 52.10 2aqz s ASN 95 Cb -0.10 -2.01 -0.04 0.00 -0.02 0.00 0.00 41.25 39.08 2aqz s ASN 95 CO 0.47 0.26 -0.15 0.42 -2.57 0.00 0.00 177.10 175.52 2aqz s THR 96 N -0.12 1.56 -0.21 1.60 -4.23 0.32 -1.19 115.64 113.38 2aqz s THR 96 Ca 0.09 -1.91 -0.02 0.00 -1.18 0.00 0.00 61.69 58.68 2aqz s THR 96 Cb -0.12 -1.76 0.06 0.00 1.34 0.00 0.00 72.50 72.02 2aqz s THR 96 CO 0.00 -0.44 0.00 -0.31 -0.54 0.00 0.00 174.62 173.34 2aqz s TYR 97 N -2.36 1.48 -0.16 3.99 2.02 -1.26 -1.05 117.35 120.01 2aqz s TYR 97 Ca 0.14 -1.15 -0.11 0.00 -0.37 0.00 0.00 57.07 55.59 2aqz s TYR 97 Cb -0.04 -1.21 -0.05 0.00 -0.40 0.00 0.00 41.96 40.26 2aqz s TYR 97 CO 0.05 -0.66 0.21 0.42 -1.57 0.00 0.00 175.55 174.00 2aqz s ILE 98 N 1.70 5.37 -0.01 2.71 1.01 -0.61 -1.08 121.20 130.29 2aqz s ILE 98 Ca -0.02 0.37 -0.33 0.00 0.00 0.00 0.00 60.65 60.66 2aqz s ILE 98 Cb -0.18 -3.53 -0.11 0.00 0.01 0.00 0.00 42.46 38.65 2aqz s ILE 98 CO -0.07 0.46 1.86 -0.24 0.00 0.00 0.00 174.94 176.95 2aqz n SER 99 N 3.15 3.64 -0.19 3.58 2.88 0.05 0.19 113.62 126.92 2aqz n SER 99 Ca -0.15 0.97 -0.09 0.00 -1.33 0.00 0.00 58.87 58.27 2aqz n SER 99 Cb 0.52 -1.43 0.01 0.00 -0.75 0.00 0.00 64.21 62.57 2aqz n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2aqz h LYS 100 N 9.08 0.93 -0.44 -1.46 3.64 -1.59 0.16 116.57 126.90 2aqz h LYS 100 Ca -0.48 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 58.61 2aqz h LYS 100 Cb 1.26 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 2aqz h LYS 100 CO 0.94 0.93 0.23 -0.22 -2.27 0.00 0.00 179.45 179.06 2aqz h LYS 101 N 0.82 0.59 -0.40 1.90 3.64 -1.77 -2.82 116.57 118.53 2aqz h LYS 101 Ca 0.16 -0.06 -0.26 0.00 -1.27 0.00 0.00 60.65 59.22 2aqz h LYS 101 Cb 0.48 -0.12 -0.18 0.00 -0.41 0.00 0.00 32.23 32.00 2aqz h LYS 101 CO 0.02 0.45 -0.34 0.72 -2.27 0.00 0.00 179.45 178.03 2aqz n HIS 102 N -4.42 1.36 0.27 1.91 8.25 -1.06 -4.76 115.22 116.77 2aqz n HIS 102 Ca 0.03 -1.84 0.12 0.00 -0.26 0.00 0.00 57.72 55.77 2aqz n HIS 102 Cb 0.10 -0.45 0.77 0.00 1.12 0.00 0.00 29.99 31.53 2aqz n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2aqz h ALA 103 N 1.38 1.63 0.00 -1.41 0.00 -0.42 -1.89 119.26 118.56 2aqz h ALA 103 Ca 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2aqz h ALA 103 Cb 1.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2aqz h ALA 103 CO 0.46 0.05 0.00 1.05 0.00 0.00 0.00 179.25 180.81 2aqz h GLU 104 N 0.00 0.00 -0.36 0.00 9.09 -1.85 -2.61 114.58 118.85 2aqz h GLU 104 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2aqz h GLU 104 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.19 2aqz h GLU 104 CO 0.01 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.70 2aqz n LYS 105 N -3.00 2.45 -3.72 1.06 5.02 -0.71 -4.98 118.16 114.27 2aqz n LYS 105 Ca 0.01 -2.23 -0.23 0.00 -2.02 0.00 0.00 58.31 53.84 2aqz n LYS 105 Cb 0.32 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.86 2aqz n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2aqz n ASN 106 N 1.43 -1.85 -4.56 4.39 5.03 -0.98 -4.93 115.26 113.79 2aqz n ASN 106 Ca 0.18 -0.87 -0.42 0.00 0.87 0.00 0.00 54.58 54.34 2aqz n ASN 106 Cb 0.59 -3.85 -0.07 0.00 -1.02 0.00 0.00 39.78 35.43 2aqz n ASN 106 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2aqz s TRP 107 N -3.68 3.16 0.19 3.10 0.52 -1.24 -4.61 118.94 116.38 2aqz s TRP 107 Ca 0.09 0.26 0.04 0.00 0.02 0.00 0.00 56.10 56.51 2aqz s TRP 107 Cb -0.03 -3.07 -0.03 0.00 -1.15 0.00 0.00 33.47 29.19 2aqz s TRP 107 CO 0.83 -0.61 0.29 -0.06 0.02 0.00 0.00 176.95 177.42 2aqz s PHE 108 N 2.59 3.41 0.12 -1.98 0.40 -1.26 -0.77 117.98 120.49 2aqz s PHE 108 Ca 0.22 0.03 -0.30 0.00 -0.60 0.00 0.00 56.93 56.28 2aqz s PHE 108 Cb -0.15 -1.59 -0.06 0.00 0.51 0.00 0.00 43.02 41.73 2aqz s PHE 108 CO 0.14 0.49 1.06 0.08 0.70 0.00 0.00 175.22 177.70 2aqz s VAL 109 N -1.86 4.19 0.04 -0.44 1.01 -0.24 -4.48 120.40 118.62 2aqz s VAL 109 Ca 0.34 1.77 -0.24 0.00 0.00 0.00 0.00 61.98 63.84 2aqz s VAL 109 Cb -0.10 -4.13 0.06 0.00 0.00 0.00 0.00 36.38 32.21 2aqz s VAL 109 CO 0.28 0.25 0.57 -0.83 0.00 0.00 0.00 175.10 175.36 2aqz s GLY 110 N 0.25 -0.49 -0.04 4.51 0.00 -1.26 -4.51 107.32 105.78 2aqz s GLY 110 Ca 0.51 0.75 0.04 0.00 0.00 0.00 0.00 44.72 46.01 2aqz s GLY 110 CO 0.32 0.43 -0.14 1.08 0.00 0.00 0.00 173.10 174.79 2aqz s LEU 111 N -1.89 1.85 0.74 0.66 1.43 -0.74 -0.64 118.68 120.09 2aqz s LEU 111 Ca -0.06 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.63 2aqz s LEU 111 Cb -0.01 -0.84 0.04 0.00 0.03 0.00 0.00 46.19 45.41 2aqz s LEU 111 CO -0.00 0.12 1.10 -0.54 0.23 0.00 0.00 176.35 177.25 2aqz s LYS 112 N 0.15 2.56 0.52 1.70 1.02 0.80 -4.51 119.74 121.98 2aqz s LYS 112 Ca -0.05 0.53 0.22 0.00 0.02 0.00 0.00 55.97 56.69 2aqz s LYS 112 Cb -0.11 -1.98 1.39 0.00 -0.52 0.00 0.00 37.83 36.61 2aqz s LYS 112 CO 0.02 -1.26 2.11 0.87 -0.92 0.00 0.00 175.35 176.17 2aqz h LYS 113 N -0.82 0.00 0.00 1.68 1.57 -1.87 -1.40 116.57 115.73 2aqz h LYS 113 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2aqz h LYS 113 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2aqz h LYS 113 CO 0.62 0.09 0.00 0.27 -0.57 0.00 0.00 179.45 179.86 2aqz n ASN 114 N -4.05 0.00 0.00 0.86 0.23 -1.26 -4.88 115.26 106.16 2aqz n ASN 114 Ca -0.03 -0.78 0.00 0.00 -0.53 0.00 0.00 54.58 53.24 2aqz n ASN 114 Cb 0.17 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 2aqz n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2aqz n GLY 115 N 0.92 0.84 3.91 4.83 0.00 -0.53 -5.01 105.19 110.15 2aqz n GLY 115 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 2aqz n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aqz s SER 116 N -2.86 6.27 0.49 1.61 1.04 -1.26 -0.39 113.70 118.59 2aqz s SER 116 Ca 0.00 0.84 -0.20 0.00 0.48 0.00 0.00 55.95 57.07 2aqz s SER 116 Cb 0.00 -2.21 -0.08 0.00 0.10 0.00 0.00 66.02 63.83 2aqz s SER 116 CO 0.00 -0.53 1.02 0.00 0.98 0.00 0.00 173.24 174.71 2aqz s LYS 118 N -3.38 3.85 0.15 0.00 1.02 0.18 -4.68 119.74 116.88 2aqz s LYS 118 Ca 0.65 0.31 -0.25 0.00 0.02 0.00 0.00 55.97 56.70 2aqz s LYS 118 Cb -0.14 -2.88 -0.08 0.00 -0.52 0.00 0.00 37.83 34.21 2aqz s LYS 118 CO 0.21 0.47 0.78 1.03 -0.92 0.00 0.00 175.35 176.93 2aqz s ARG 119 N -2.17 4.57 0.27 1.68 0.52 -1.26 -4.52 118.95 118.03 2aqz s ARG 119 Ca 0.39 1.16 -0.05 0.00 -0.52 0.00 0.00 55.73 56.70 2aqz s ARG 119 Cb -0.14 -3.28 0.51 0.00 0.52 0.00 0.00 34.95 32.56 2aqz s ARG 119 CO 0.20 0.51 1.60 0.78 0.02 0.00 0.00 175.30 178.41 2aqz h GLY 120 N 4.58 0.90 2.00 -3.53 0.00 -0.83 0.22 103.07 106.41 2aqz h GLY 120 Ca -0.46 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2aqz h GLY 120 CO 0.67 -0.36 0.00 -2.55 0.00 0.00 0.00 176.54 174.30 2aqz h PRO 121 N 0.05 0.00 -0.27 4.80 0.11 -1.84 -2.18 132.00 132.66 2aqz h PRO 121 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 2aqz h PRO 121 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2aqz h PRO 121 CO -0.81 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.52 2aqz n ARG 122 N -2.96 2.32 -3.85 1.05 5.12 0.76 -4.94 116.66 114.16 2aqz n ARG 122 Ca -0.01 -1.97 -0.24 0.00 -1.93 0.00 0.00 57.85 53.70 2aqz n ARG 122 Cb 0.17 -1.48 -0.02 0.00 -1.16 0.00 0.00 32.46 29.96 2aqz n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2aqz s THR 123 N -1.66 5.25 -0.20 0.55 -4.23 -0.82 -4.90 115.64 109.62 2aqz s THR 123 Ca 0.36 -0.75 -0.31 0.00 -1.18 0.00 0.00 61.69 59.81 2aqz s THR 123 Cb 0.21 -3.81 0.15 0.00 1.34 0.00 0.00 72.50 70.40 2aqz s THR 123 CO 0.31 -0.27 1.18 -1.38 -0.54 0.00 0.00 174.62 173.92 2aqz s HIS 124 N -1.94 -0.18 0.41 3.99 -3.43 -1.26 -4.84 115.29 108.03 2aqz s HIS 124 Ca 0.36 0.25 -0.24 0.00 -0.80 0.00 0.00 55.06 54.63 2aqz s HIS 124 Cb -0.10 0.49 -0.11 0.00 -1.43 0.00 0.00 32.58 31.43 2aqz s HIS 124 CO 0.30 -0.21 0.93 0.66 -2.00 0.00 0.00 174.74 174.42 2aqz n TYR 125 N 0.37 0.89 0.00 0.38 4.01 -1.26 -2.47 117.16 119.08 2aqz n TYR 125 Ca -0.04 0.59 0.00 0.00 -0.16 0.00 0.00 57.90 58.29 2aqz n TYR 125 Cb 0.58 -2.19 0.00 0.00 -0.31 0.00 0.00 39.34 37.43 2aqz n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aqz n GLY 126 N 1.30 1.86 3.85 2.72 0.00 -1.26 -5.07 105.19 108.58 2aqz n GLY 126 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2aqz n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aqz s GLN 127 N -0.85 3.98 0.29 1.61 -0.21 -1.03 -4.97 119.66 118.48 2aqz s GLN 127 Ca 0.00 0.52 0.15 0.00 0.02 0.00 0.00 55.36 56.05 2aqz s GLN 127 Cb 0.00 -2.82 0.23 0.00 1.00 0.00 0.00 33.01 31.42 2aqz s GLN 127 CO 0.00 0.40 1.52 0.87 -2.12 0.00 0.00 175.29 175.96 2aqz h LYS 128 N 3.20 0.00 -0.01 2.91 1.79 -1.97 -3.25 116.57 119.24 2aqz h LYS 128 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 2aqz h LYS 128 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2aqz h LYS 128 CO 0.66 0.53 0.02 0.00 -1.08 0.00 0.00 179.45 179.58 2aqz h ALA 129 N 1.47 1.45 -0.02 3.86 0.00 -1.94 -1.60 119.26 122.49 2aqz h ALA 129 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2aqz h ALA 129 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2aqz h ALA 129 CO 0.07 -0.03 -0.10 0.44 0.00 0.00 0.00 179.25 179.63 2aqz n ILE 130 N -3.70 0.00 -3.34 0.00 -5.35 -1.22 -1.80 119.36 103.94 2aqz n ILE 130 Ca -0.03 -0.32 -0.38 0.00 -0.27 0.00 0.00 62.75 61.75 2aqz n ILE 130 Cb 0.10 0.92 -0.07 0.00 -1.74 0.00 0.00 39.64 38.85 2aqz n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2aqz s LEU 131 N -2.14 4.16 0.05 7.28 1.43 -0.60 -4.47 118.68 124.39 2aqz s LEU 131 Ca 0.30 0.59 0.09 0.00 -1.03 0.00 0.00 54.13 54.07 2aqz s LEU 131 Cb 0.20 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 2aqz s LEU 131 CO 0.38 -0.10 -0.24 -0.36 0.23 0.00 0.00 176.35 176.26 2aqz s PHE 132 N 1.34 2.13 -0.28 0.29 0.40 -0.33 -0.90 117.98 120.63 2aqz s PHE 132 Ca 0.21 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 56.17 2aqz s PHE 132 Cb -0.15 -1.27 0.07 0.00 0.51 0.00 0.00 43.02 42.18 2aqz s PHE 132 CO 0.09 0.12 -0.07 -0.51 0.70 0.00 0.00 175.22 175.55 2aqz s LEU 133 N -1.26 3.72 0.38 -0.37 1.43 0.74 -0.63 118.68 122.69 2aqz s LEU 133 Ca 0.10 -1.53 -0.26 0.00 -1.03 0.00 0.00 54.13 51.41 2aqz s LEU 133 Cb -0.10 -1.58 -0.09 0.00 0.03 0.00 0.00 46.19 44.46 2aqz s LEU 133 CO 0.02 -0.23 1.20 -2.16 0.23 0.00 0.00 176.35 175.41 2aqz s PRO 134 N 1.08 4.14 0.04 1.29 0.04 -1.26 -1.67 135.00 138.66 2aqz s PRO 134 Ca -0.05 1.93 0.03 0.00 0.04 0.00 0.00 61.00 62.95 2aqz s PRO 134 Cb -0.20 -2.79 -0.02 0.00 0.04 0.00 0.00 34.50 31.53 2aqz s PRO 134 CO -0.05 -0.27 -0.10 -0.51 0.04 0.00 0.00 177.00 176.10 2aqz s LEU 135 N -2.29 2.20 0.66 -3.56 1.43 0.98 -4.93 118.68 113.17 2aqz s LEU 135 Ca 0.55 -0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 53.03 2aqz s LEU 135 Cb -0.33 -0.37 0.00 0.00 0.03 0.00 0.00 46.19 45.52 2aqz s LEU 135 CO 0.42 -0.07 1.15 -2.16 0.23 0.00 0.00 176.35 175.92 2aqz s PRO 136 N -1.25 2.69 0.00 1.29 0.04 -1.26 -0.29 135.00 136.22 2aqz s PRO 136 Ca -0.03 1.56 0.30 0.00 0.04 0.00 0.00 61.00 62.86 2aqz s PRO 136 Cb -0.08 -1.92 1.39 0.00 0.04 0.00 0.00 34.50 33.93 2aqz s PRO 136 CO 0.01 -1.36 1.94 1.33 0.04 0.00 0.00 177.00 178.95