#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hwa n PHE 1 N 0.00 1.78 -2.78 -1.40 7.35 -1.26 -5.01 117.46 116.14 2hwa n PHE 1 Ca 0.00 -2.02 -0.42 0.00 -0.76 0.00 0.00 57.45 54.25 2hwa n PHE 1 Cb 0.00 -0.28 -0.03 0.00 0.35 0.00 0.00 39.48 39.52 2hwa n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 2hwa s ASN 2 N -3.55 7.08 0.05 -2.13 0.01 -1.26 -5.03 114.94 110.12 2hwa s ASN 2 Ca 0.40 1.33 0.03 0.00 -0.71 0.00 0.00 52.86 53.91 2hwa s ASN 2 Cb 0.37 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.49 2hwa s ASN 2 CO -0.01 -0.47 0.03 -0.76 -1.51 0.00 0.00 177.10 174.38 2hwa s LEU 3 N 2.31 3.63 0.63 0.60 1.43 -1.26 -1.07 118.68 124.95 2hwa s LEU 3 Ca 0.43 -0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 53.34 2hwa s LEU 3 Cb -0.17 -2.25 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 2hwa s LEU 3 CO 0.13 0.21 1.06 -2.16 0.23 0.00 0.00 176.35 175.82 2hwa s PRO 4 N -2.09 3.12 0.04 1.29 0.04 -1.26 -4.61 135.00 131.54 2hwa s PRO 4 Ca 0.25 1.16 0.28 0.00 0.04 0.00 0.00 61.00 62.74 2hwa s PRO 4 Cb -0.12 -2.01 1.15 0.00 0.04 0.00 0.00 34.50 33.56 2hwa s PRO 4 CO 0.17 -0.97 1.90 -0.35 0.04 0.00 0.00 177.00 177.79 2hwa n PRO 5 N -2.40 0.06 -1.03 0.56 -0.04 -1.26 -4.92 135.00 125.96 2hwa n PRO 5 Ca 0.09 0.05 -0.29 0.00 -0.04 0.00 0.00 63.50 63.30 2hwa n PRO 5 Cb 0.53 -1.57 0.22 0.00 -0.04 0.00 0.00 33.50 32.64 2hwa n PRO 5 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2hwa s GLY 6 N -3.12 1.56 0.36 0.55 0.00 -1.26 -5.09 107.32 100.32 2hwa s GLY 6 Ca 0.13 -0.63 0.03 0.00 0.00 0.00 0.00 44.72 44.26 2hwa s GLY 6 CO 0.54 0.14 0.09 0.54 0.00 0.00 0.00 173.10 174.41 2hwa s ASN 7 N -3.54 2.55 -0.29 1.64 2.20 -1.26 -5.07 114.94 111.16 2hwa s ASN 7 Ca 0.68 -1.51 0.10 0.00 -0.94 0.00 0.00 52.86 51.20 2hwa s ASN 7 Cb -0.15 0.19 0.57 0.00 -2.00 0.00 0.00 41.25 39.86 2hwa s ASN 7 CO 0.58 -0.75 1.57 -1.22 -2.94 0.00 0.00 177.10 174.33 2hwa n TYR 8 N -0.79 1.52 0.22 1.54 4.01 -1.26 -4.63 117.16 117.77 2hwa n TYR 8 Ca -0.04 -1.39 0.05 0.00 -0.16 0.00 0.00 57.90 56.36 2hwa n TYR 8 Cb 0.66 -0.54 0.49 0.00 -0.31 0.00 0.00 39.34 39.64 2hwa n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2hwa h LYS 9 N 1.45 0.00 -5.05 -0.72 1.57 -1.98 -3.45 116.57 108.39 2hwa h LYS 9 Ca 0.23 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.63 2hwa h LYS 9 Cb 1.87 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 34.04 2hwa h LYS 9 CO 0.50 0.21 -0.64 0.15 -0.57 0.00 0.00 179.45 179.10 2hwa s LYS 10 N -4.55 1.39 1.11 3.15 1.02 -1.26 -5.15 119.74 115.45 2hwa s LYS 10 Ca -0.04 -1.72 -0.14 0.00 0.02 0.00 0.00 55.97 54.09 2hwa s LYS 10 Cb 0.15 -0.57 0.25 0.00 -0.52 0.00 0.00 37.83 37.14 2hwa s LYS 10 CO 0.70 -0.15 1.07 -1.25 -0.92 0.00 0.00 175.35 174.79 2hwa s PRO 11 N -3.90 -0.49 0.18 -1.68 0.04 -1.26 -4.72 135.00 123.17 2hwa s PRO 11 Ca 0.31 0.44 -0.17 0.00 0.04 0.00 0.00 61.00 61.63 2hwa s PRO 11 Cb 0.07 -1.64 0.03 0.00 0.04 0.00 0.00 34.50 33.00 2hwa s PRO 11 CO 0.10 -3.34 0.50 -0.08 0.04 0.00 0.00 177.00 174.22 2hwa s THR 12 N -2.80 0.03 0.15 1.26 -1.32 0.94 -4.49 115.64 109.40 2hwa s THR 12 Ca 0.67 -0.78 0.05 0.00 -1.21 0.00 0.00 61.69 60.42 2hwa s THR 12 Cb -0.18 -1.54 -0.04 0.00 -1.51 0.00 0.00 72.50 69.23 2hwa s THR 12 CO 0.59 -0.15 0.10 -0.76 -2.21 0.00 0.00 174.62 172.20 2hwa s LEU 13 N -2.87 3.72 -0.31 9.08 1.43 0.24 -0.77 118.68 129.20 2hwa s LEU 13 Ca 0.09 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 2hwa s LEU 13 Cb -0.00 -2.36 0.08 0.00 0.03 0.00 0.00 46.19 43.94 2hwa s LEU 13 CO -0.04 0.10 -0.00 -0.76 0.23 0.00 0.00 176.35 175.87 2hwa s LEU 14 N -2.91 4.19 -0.19 1.79 1.43 -1.26 -1.14 118.68 120.58 2hwa s LEU 14 Ca 0.30 -1.73 -0.13 0.00 -1.03 0.00 0.00 54.13 51.54 2hwa s LEU 14 Cb -0.10 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 2hwa s LEU 14 CO 0.22 -0.31 0.26 -0.47 0.23 0.00 0.00 176.35 176.28 2hwa s TYR 15 N 1.05 3.40 -0.28 0.29 5.04 -0.22 -1.21 117.35 125.42 2hwa s TYR 15 Ca 0.01 0.47 -0.11 0.00 -2.44 0.00 0.00 57.07 55.00 2hwa s TYR 15 Cb -0.20 -2.33 -0.05 0.00 0.35 0.00 0.00 41.96 39.74 2hwa s TYR 15 CO -0.05 0.17 0.19 0.00 -1.34 0.00 0.00 175.55 174.51 2hwa h SER 17 N 8.37 0.00 -0.01 0.00 4.64 -1.78 -1.40 113.55 123.36 2hwa h SER 17 Ca -0.35 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.99 2hwa h SER 17 Cb 1.19 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 2hwa h SER 17 CO 0.56 0.01 -0.37 -1.13 -0.87 0.00 0.00 176.83 175.03 2hwa h ASN 18 N 0.00 -1.14 -0.02 4.97 -1.24 -1.82 -3.27 115.58 113.07 2hwa h ASN 18 Ca -0.00 0.13 0.00 0.00 0.71 0.00 0.00 56.30 57.14 2hwa h ASN 18 Cb 0.30 0.43 0.00 0.00 0.73 0.00 0.00 38.32 39.78 2hwa h ASN 18 CO 0.00 -0.36 0.00 0.61 -1.29 0.00 0.00 177.43 176.40 2hwa n GLY 19 N -1.31 -0.57 1.81 1.57 0.00 -1.24 -4.81 105.19 100.63 2hwa n GLY 19 Ca -0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 2hwa n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hwa n GLY 20 N 0.30 0.19 3.43 -0.02 0.00 -0.55 -5.00 105.19 103.54 2hwa n GLY 20 Ca 0.04 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 2hwa n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hwa s HIS 21 N -3.12 2.44 -0.05 1.61 3.76 -1.08 -4.58 115.29 114.27 2hwa s HIS 21 Ca 0.02 -0.32 -0.16 0.00 -0.15 0.00 0.00 55.06 54.44 2hwa s HIS 21 Cb -0.00 -1.35 -0.05 0.00 1.11 0.00 0.00 32.58 32.29 2hwa s HIS 21 CO 0.23 0.30 0.44 -0.06 -0.85 0.00 0.00 174.74 174.80 2hwa s PHE 22 N -1.02 3.64 0.26 1.40 0.08 0.18 -0.35 117.98 122.17 2hwa s PHE 22 Ca 0.15 0.96 -0.30 0.00 0.12 0.00 0.00 56.93 57.86 2hwa s PHE 22 Cb -0.10 -2.41 -0.10 0.00 -0.57 0.00 0.00 43.02 39.84 2hwa s PHE 22 CO 0.06 0.44 1.41 -1.17 -0.10 0.00 0.00 175.22 175.86 2hwa s LEU 23 N -0.35 4.39 -0.02 -0.37 2.96 -0.35 -1.38 118.68 123.56 2hwa s LEU 23 Ca 0.25 2.67 0.02 0.00 -0.22 0.00 0.00 54.13 56.84 2hwa s LEU 23 Cb -0.16 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 42.91 2hwa s LEU 23 CO 0.12 -0.67 -0.07 -0.60 -1.32 0.00 0.00 176.35 173.81 2hwa s ARG 24 N -0.65 0.83 -0.34 1.98 3.52 0.11 -4.49 118.95 119.91 2hwa s ARG 24 Ca 0.57 -0.24 0.01 0.00 -0.13 0.00 0.00 55.73 55.94 2hwa s ARG 24 Cb -0.41 -0.79 0.09 0.00 -1.56 0.00 0.00 34.95 32.27 2hwa s ARG 24 CO 0.45 0.07 0.06 0.42 -0.81 0.00 0.00 175.30 175.49 2hwa s ILE 25 N 0.28 2.67 0.68 4.11 1.01 -0.89 -1.41 121.20 127.65 2hwa s ILE 25 Ca -0.04 -1.96 -0.13 0.00 0.00 0.00 0.00 60.65 58.52 2hwa s ILE 25 Cb -0.09 -2.78 0.01 0.00 0.01 0.00 0.00 42.46 39.61 2hwa s ILE 25 CO 0.00 -0.43 1.08 -0.76 0.00 0.00 0.00 174.94 174.83 2hwa s LEU 26 N 1.07 3.26 0.41 2.97 1.43 0.05 -4.84 118.68 123.02 2hwa s LEU 26 Ca 0.04 1.79 0.14 0.00 -1.03 0.00 0.00 54.13 55.07 2hwa s LEU 26 Cb -0.20 -4.52 1.00 0.00 0.03 0.00 0.00 46.19 42.49 2hwa s LEU 26 CO -0.05 -1.54 1.90 -0.65 0.23 0.00 0.00 176.35 176.24 2hwa h PRO 27 N -0.35 0.47 -0.01 1.29 0.11 -1.98 -0.84 132.00 130.68 2hwa h PRO 27 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2hwa h PRO 27 Cb 1.22 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2hwa h PRO 27 CO 0.55 0.31 0.00 -0.40 -0.21 0.00 0.00 178.00 178.25 2hwa n ASP 28 N -4.50 0.12 0.00 -2.05 5.75 -1.26 -4.88 116.55 109.72 2hwa n ASP 28 Ca 0.16 -1.53 0.00 0.00 -0.01 0.00 0.00 54.79 53.41 2hwa n ASP 28 Cb 0.53 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 2hwa n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hwa n GLY 29 N 0.77 0.36 3.77 6.12 0.00 -0.32 -4.97 105.19 110.92 2hwa n GLY 29 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 2hwa n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hwa s THR 30 N -2.12 3.26 -0.08 2.61 2.01 -1.26 -0.95 115.64 119.11 2hwa s THR 30 Ca 0.00 0.99 0.04 0.00 0.31 0.00 0.00 61.69 63.03 2hwa s THR 30 Cb 0.00 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 68.99 2hwa s THR 30 CO 0.00 0.03 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.06 2hwa s VAL 31 N -1.53 1.75 0.00 3.82 1.01 -1.26 -0.77 120.40 123.43 2hwa s VAL 31 Ca 0.60 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.73 2hwa s VAL 31 Cb -0.28 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.58 2hwa s VAL 31 CO 0.34 0.49 0.00 -0.90 0.00 0.00 0.00 175.10 175.04 2hwa n ASP 32 N 3.49 0.00 -4.28 3.32 5.75 -0.50 -4.52 116.55 119.81 2hwa n ASP 32 Ca -0.20 -0.58 -0.20 0.00 -0.01 0.00 0.00 54.79 53.80 2hwa n ASP 32 Cb 0.53 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 2hwa n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2hwa s GLY 33 N -0.58 1.21 0.03 6.12 0.00 -0.13 0.06 107.32 114.03 2hwa s GLY 33 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.35 2hwa s GLY 33 CO 0.00 -1.42 -0.04 -1.08 0.00 0.00 0.00 173.10 170.56 2hwa s THR 34 N -2.05 0.23 -1.33 0.90 -1.32 -0.48 -4.83 115.64 106.76 2hwa s THR 34 Ca 0.12 -1.08 0.25 0.00 -1.21 0.00 0.00 61.69 59.77 2hwa s THR 34 Cb -0.05 -0.53 0.11 0.00 -1.51 0.00 0.00 72.50 70.52 2hwa s THR 34 CO 0.05 -0.55 1.45 0.54 -2.21 0.00 0.00 174.62 173.90 2hwa n ARG 35 N 1.34 0.37 -2.49 7.08 1.74 -1.26 -0.65 116.66 122.80 2hwa n ARG 35 Ca -0.22 -0.22 -0.42 0.00 -0.77 0.00 0.00 57.85 56.22 2hwa n ARG 35 Cb 0.56 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.48 2hwa n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2hwa s ASP 36 N -2.78 6.31 0.05 0.55 2.15 -1.26 -4.85 116.67 116.84 2hwa s ASP 36 Ca 0.17 0.23 0.16 0.00 0.43 0.00 0.00 52.55 53.54 2hwa s ASP 36 Cb 0.18 -2.55 0.66 0.00 -0.30 0.00 0.00 42.92 40.92 2hwa s ASP 36 CO 0.63 -1.57 1.49 -1.14 -0.17 0.00 0.00 175.17 174.41 2hwa n ARG 37 N 8.50 0.04 0.00 4.34 0.63 -1.26 -2.15 116.66 126.76 2hwa n ARG 37 Ca 0.11 0.29 0.13 0.00 -0.92 0.00 0.00 57.85 57.46 2hwa n ARG 37 Cb 0.49 -1.57 0.39 0.00 0.45 0.00 0.00 32.46 32.22 2hwa n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2hwa n SER 38 N -1.64 1.12 -4.75 6.15 3.41 -1.26 -4.93 113.62 111.72 2hwa n SER 38 Ca 0.03 -0.99 -0.41 0.00 -0.26 0.00 0.00 58.87 57.24 2hwa n SER 38 Cb 0.17 0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.22 2hwa n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2hwa s ASP 39 N -2.43 6.46 0.00 4.04 -1.08 -0.91 -4.90 116.67 117.85 2hwa s ASP 39 Ca 0.26 2.85 0.29 0.00 -0.52 0.00 0.00 52.55 55.44 2hwa s ASP 39 Cb 0.19 -2.63 1.54 0.00 -1.46 0.00 0.00 42.92 40.57 2hwa s ASP 39 CO 0.49 -0.85 2.01 0.00 0.52 0.00 0.00 175.17 177.34 2hwa n GLN 40 N 2.38 1.20 -0.32 4.34 1.13 -1.26 -3.62 117.38 121.23 2hwa n GLN 40 Ca 0.08 -0.30 0.07 0.00 -1.94 0.00 0.00 57.00 54.92 2hwa n GLN 40 Cb 0.38 -1.46 0.21 0.00 0.11 0.00 0.00 30.24 29.48 2hwa n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2hwa n HIS 41 N -0.61 0.74 0.75 1.08 8.25 -1.26 -4.36 115.22 119.81 2hwa n HIS 41 Ca 0.21 -0.68 0.08 0.00 -0.26 0.00 0.00 57.72 57.07 2hwa n HIS 41 Cb 0.18 -0.17 0.01 0.00 1.12 0.00 0.00 29.99 31.12 2hwa n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2hwa n ILE 42 N 0.05 0.00 -2.73 1.59 -5.35 -1.24 -2.11 119.36 109.58 2hwa n ILE 42 Ca 0.17 -0.35 -0.43 0.00 -0.27 0.00 0.00 62.75 61.87 2hwa n ILE 42 Cb 0.67 1.22 -0.03 0.00 -1.74 0.00 0.00 39.64 39.77 2hwa n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2hwa s GLN 43 N -1.91 4.25 0.24 6.28 1.11 -1.26 -4.50 119.66 123.87 2hwa s GLN 43 Ca 0.15 1.24 0.10 0.00 0.01 0.00 0.00 55.36 56.86 2hwa s GLN 43 Cb 0.14 -3.63 -0.05 0.00 -1.01 0.00 0.00 33.01 28.46 2hwa s GLN 43 CO 0.40 -0.57 -0.18 -0.51 0.01 0.00 0.00 175.29 174.44 2hwa s LEU 44 N 3.00 2.56 -0.10 2.90 1.43 0.05 -1.55 118.68 126.98 2hwa s LEU 44 Ca 0.42 -1.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 2hwa s LEU 44 Cb -0.15 -0.90 0.02 0.00 0.03 0.00 0.00 46.19 45.19 2hwa s LEU 44 CO 0.07 -0.05 -0.08 -1.58 0.23 0.00 0.00 176.35 174.94 2hwa s GLN 45 N -3.51 1.52 0.19 1.70 2.00 0.93 -0.04 119.66 122.45 2hwa s GLN 45 Ca 0.26 -0.27 -0.00 0.00 -2.00 0.00 0.00 55.36 53.34 2hwa s GLN 45 Cb -0.03 -1.52 -0.04 0.00 0.80 0.00 0.00 33.01 32.21 2hwa s GLN 45 CO 0.11 -0.21 0.37 -0.51 -0.50 0.00 0.00 175.29 174.55 2hwa s LEU 46 N 1.51 4.24 -0.06 3.68 1.02 -1.26 -1.17 118.68 126.64 2hwa s LEU 46 Ca 0.01 0.38 -0.11 0.00 0.02 0.00 0.00 54.13 54.42 2hwa s LEU 46 Cb -0.13 -3.14 0.02 0.00 0.02 0.00 0.00 46.19 42.96 2hwa s LEU 46 CO -0.06 -0.02 0.28 -0.94 0.02 0.00 0.00 176.35 175.63 2hwa s SER 47 N -3.12 -0.23 -0.19 2.29 1.04 -1.04 -4.82 113.70 107.63 2hwa s SER 47 Ca 0.38 0.32 -0.15 0.00 0.48 0.00 0.00 55.95 56.98 2hwa s SER 47 Cb -0.11 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 2hwa s SER 47 CO 0.29 -0.26 0.34 0.00 0.98 0.00 0.00 173.24 174.59 2hwa s ALA 48 N -0.55 3.57 -0.07 5.32 0.00 -1.26 -1.56 121.76 127.20 2hwa s ALA 48 Ca -0.07 -0.53 0.09 0.00 0.00 0.00 0.00 51.96 51.45 2hwa s ALA 48 Cb -0.04 -2.53 -0.24 0.00 0.00 0.00 0.00 23.12 20.32 2hwa s ALA 48 CO 0.02 -0.16 0.55 0.39 0.00 0.00 0.00 175.76 176.55 2hwa n GLU 49 N 4.15 0.66 -3.87 0.00 -0.58 -0.49 -4.96 120.64 115.56 2hwa n GLU 49 Ca -0.10 0.27 -0.09 0.00 -0.42 0.00 0.00 57.16 56.81 2hwa n GLU 49 Cb 0.51 -1.75 -0.05 0.00 -0.57 0.00 0.00 31.44 29.58 2hwa n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2hwa s SER 50 N -6.27 -0.13 0.11 1.62 0.01 -1.24 -5.03 113.70 102.78 2hwa s SER 50 Ca -0.09 -0.71 -0.31 0.00 1.31 0.00 0.00 55.95 56.15 2hwa s SER 50 Cb 0.08 0.54 -0.10 0.00 0.21 0.00 0.00 66.02 66.75 2hwa s SER 50 CO 0.81 -1.03 1.72 -0.69 0.41 0.00 0.00 173.24 174.46 2hwa s VAL 51 N -3.94 2.71 0.00 3.43 1.01 -1.26 -1.38 120.40 120.97 2hwa s VAL 51 Ca 0.15 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2hwa s VAL 51 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2hwa s VAL 51 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.72 2hwa n GLY 52 N 4.06 1.69 3.39 4.51 0.00 -1.26 -5.03 105.19 112.56 2hwa n GLY 52 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2hwa n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hwa s GLU 53 N -0.16 3.47 0.17 1.61 2.02 -0.48 -0.77 118.70 124.55 2hwa s GLU 53 Ca 0.00 -0.62 0.05 0.00 0.02 0.00 0.00 54.97 54.42 2hwa s GLU 53 Cb 0.00 -2.84 -0.05 0.00 0.10 0.00 0.00 34.13 31.35 2hwa s GLU 53 CO 0.00 0.09 -0.09 0.14 0.02 0.00 0.00 175.26 175.42 2hwa s VAL 54 N 0.72 1.21 0.11 2.63 -7.23 0.50 -1.39 120.40 116.95 2hwa s VAL 54 Ca -0.04 -2.07 0.04 0.00 -1.81 0.00 0.00 61.98 58.10 2hwa s VAL 54 Cb -0.15 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 2hwa s VAL 54 CO 0.02 -0.66 0.12 -0.31 -0.31 0.00 0.00 175.10 173.96 2hwa s TYR 55 N -3.30 3.21 -0.21 2.82 2.02 -0.60 -1.37 117.35 119.91 2hwa s TYR 55 Ca 0.19 0.06 -0.00 0.00 -0.37 0.00 0.00 57.07 56.94 2hwa s TYR 55 Cb 0.03 -1.59 0.06 0.00 -0.40 0.00 0.00 41.96 40.05 2hwa s TYR 55 CO 0.03 0.52 -0.03 0.42 -1.57 0.00 0.00 175.55 174.92 2hwa s ILE 56 N -1.54 1.21 0.15 2.71 1.01 -1.26 -2.50 121.20 120.98 2hwa s ILE 56 Ca 0.30 -0.93 0.10 0.00 0.00 0.00 0.00 60.65 60.12 2hwa s ILE 56 Cb -0.11 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 2hwa s ILE 56 CO 0.23 -0.07 -0.22 -1.59 0.00 0.00 0.00 174.94 173.29 2hwa s LYS 57 N 1.55 1.33 -0.04 2.79 -2.85 -0.32 -0.68 119.74 121.53 2hwa s LYS 57 Ca -0.03 -1.37 -0.30 0.00 -1.00 0.00 0.00 55.97 53.27 2hwa s LYS 57 Cb -0.18 -1.61 -0.05 0.00 -2.06 0.00 0.00 37.83 33.94 2hwa s LYS 57 CO -0.07 0.36 1.37 0.45 0.10 0.00 0.00 175.35 177.56 2hwa s SER 58 N -2.36 6.88 0.24 0.03 0.15 0.78 -0.05 113.70 119.36 2hwa s SER 58 Ca 0.15 2.02 0.12 0.00 0.70 0.00 0.00 55.95 58.94 2hwa s SER 58 Cb -0.08 -2.55 0.12 0.00 -1.71 0.00 0.00 66.02 61.79 2hwa s SER 58 CO 0.07 -0.72 1.46 0.71 1.20 0.00 0.00 173.24 175.96 2hwa h THR 59 N 5.08 1.24 -0.13 6.45 1.35 -1.61 -0.83 112.91 124.46 2hwa h THR 59 Ca -0.36 -2.50 -0.21 0.00 -0.55 0.00 0.00 66.41 62.79 2hwa h THR 59 Cb 1.17 2.45 0.00 0.00 -1.73 0.00 0.00 68.15 70.04 2hwa h THR 59 CO 0.91 0.65 -0.76 -0.08 -0.25 0.00 0.00 175.52 176.00 2hwa h GLU 60 N 0.00 0.65 0.00 4.72 4.57 -1.80 -3.38 114.58 119.33 2hwa h GLU 60 Ca -0.01 -0.53 0.00 0.00 -1.18 0.00 0.00 59.36 57.64 2hwa h GLU 60 Cb 1.39 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 30.09 2hwa h GLU 60 CO 0.09 1.15 -0.30 0.25 -1.18 0.00 0.00 179.01 179.02 2hwa n THR 61 N -3.90 0.00 -0.63 0.32 -2.24 -1.23 -5.01 114.28 101.59 2hwa n THR 61 Ca -0.06 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2hwa n THR 61 Cb 0.73 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 2hwa n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hwa n GLY 62 N 1.18 1.51 3.80 3.38 0.00 -0.32 -5.02 105.19 109.72 2hwa n GLY 62 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2hwa n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hwa s GLN 63 N -0.09 3.73 -0.15 1.61 -0.21 -1.26 -4.72 119.66 118.58 2hwa s GLN 63 Ca 0.00 1.37 -0.07 0.00 0.02 0.00 0.00 55.36 56.68 2hwa s GLN 63 Cb 0.00 -2.08 -0.04 0.00 1.00 0.00 0.00 33.01 31.89 2hwa s GLN 63 CO 0.00 -0.49 0.10 0.71 -2.12 0.00 0.00 175.29 173.49 2hwa s TYR 64 N -1.99 3.42 0.26 0.91 1.51 0.45 -0.16 117.35 121.75 2hwa s TYR 64 Ca 0.67 0.34 -0.30 0.00 -1.01 0.00 0.00 57.07 56.78 2hwa s TYR 64 Cb -0.17 -2.00 -0.10 0.00 -0.11 0.00 0.00 41.96 39.59 2hwa s TYR 64 CO 0.22 0.47 1.31 -1.17 -1.11 0.00 0.00 175.55 175.27 2hwa s LEU 65 N -0.39 4.43 0.02 -1.29 2.96 0.14 -0.13 118.68 124.42 2hwa s LEU 65 Ca 0.11 2.54 -0.10 0.00 -0.22 0.00 0.00 54.13 56.46 2hwa s LEU 65 Cb -0.12 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 42.95 2hwa s LEU 65 CO 0.01 -0.52 0.20 0.00 -1.32 0.00 0.00 176.35 174.72 2hwa s ALA 66 N -0.49 -0.43 -0.15 5.97 0.00 -0.10 -4.36 121.76 122.20 2hwa s ALA 66 Ca 0.53 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.39 2hwa s ALA 66 Cb -0.38 0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.93 2hwa s ALA 66 CO 0.45 -0.29 -0.20 1.41 0.00 0.00 0.00 175.76 177.13 2hwa s MET 67 N -1.93 3.08 0.84 0.00 1.75 -0.53 -0.78 119.30 121.73 2hwa s MET 67 Ca -0.10 -0.82 -0.14 0.00 -1.25 0.00 0.00 55.69 53.38 2hwa s MET 67 Cb -0.04 -2.51 0.19 0.00 2.84 0.00 0.00 34.83 35.32 2hwa s MET 67 CO -0.00 -0.02 1.15 -0.40 -0.65 0.00 0.00 175.02 175.09 2hwa n ASP 68 N 4.11 0.08 0.31 1.11 5.68 0.32 -4.76 116.55 123.40 2hwa n ASP 68 Ca -0.20 -1.41 0.20 0.00 -0.50 0.00 0.00 54.79 52.88 2hwa n ASP 68 Cb 0.51 -0.88 0.98 0.00 -1.14 0.00 0.00 41.12 40.60 2hwa n ASP 68 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2hwa h THR 69 N -1.67 0.00 -0.51 2.12 1.03 -2.00 -0.40 112.91 111.48 2hwa h THR 69 Ca -0.37 -0.21 0.00 0.00 -0.01 0.00 0.00 66.41 65.82 2hwa h THR 69 Cb 1.02 1.18 0.00 0.00 -1.07 0.00 0.00 68.15 69.28 2hwa h THR 69 CO 0.26 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.24 2hwa n ASP 70 N -3.04 3.92 0.00 0.00 8.00 -1.26 -4.97 116.55 119.20 2hwa n ASP 70 Ca -0.01 -2.30 0.00 0.00 0.71 0.00 0.00 54.79 53.18 2hwa n ASP 70 Cb 0.16 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 2hwa n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hwa n GLY 71 N 0.80 0.57 3.86 0.44 0.00 -0.16 -4.61 105.19 106.09 2hwa n GLY 71 Ca 0.20 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 2hwa n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hwa s LEU 72 N 0.00 4.42 0.26 0.99 1.43 -1.26 -0.52 118.68 123.99 2hwa s LEU 72 Ca 0.00 0.76 -0.22 0.00 -1.03 0.00 0.00 54.13 53.64 2hwa s LEU 72 Cb 0.00 -2.58 -0.09 0.00 0.03 0.00 0.00 46.19 43.55 2hwa s LEU 72 CO 0.00 0.30 0.81 -0.76 0.23 0.00 0.00 176.35 176.93 2hwa s LEU 73 N -1.35 4.36 0.15 1.79 1.43 -1.26 -0.52 118.68 123.28 2hwa s LEU 73 Ca 0.24 1.59 -0.11 0.00 -1.03 0.00 0.00 54.13 54.83 2hwa s LEU 73 Cb -0.15 -3.73 0.00 0.00 0.03 0.00 0.00 46.19 42.35 2hwa s LEU 73 CO 0.13 0.01 0.32 -0.72 0.23 0.00 0.00 176.35 176.32 2hwa s TYR 74 N -1.53 0.20 -0.27 0.29 1.13 0.04 -4.47 117.35 112.73 2hwa s TYR 74 Ca 0.45 -0.57 -0.17 0.00 -1.41 0.00 0.00 57.07 55.37 2hwa s TYR 74 Cb -0.18 0.06 -0.03 0.00 -1.10 0.00 0.00 41.96 40.71 2hwa s TYR 74 CO 0.22 -0.72 0.49 0.20 -2.51 0.00 0.00 175.55 173.23 2hwa s GLY 75 N -2.92 1.85 -0.11 5.49 0.00 -0.13 -0.93 107.32 110.58 2hwa s GLY 75 Ca 0.12 -0.68 -0.07 0.00 0.00 0.00 0.00 44.72 44.09 2hwa s GLY 75 CO -0.04 1.19 0.15 -0.45 0.00 0.00 0.00 173.10 173.96 2hwa s SER 76 N 1.58 6.41 0.33 1.64 0.15 0.81 -4.75 113.70 119.87 2hwa s SER 76 Ca 0.20 0.49 0.17 0.00 0.70 0.00 0.00 55.95 57.51 2hwa s SER 76 Cb -0.16 -2.08 0.39 0.00 -1.71 0.00 0.00 66.02 62.47 2hwa s SER 76 CO 0.10 0.40 1.59 1.56 1.20 0.00 0.00 173.24 178.09 2hwa h GLN 77 N 4.93 0.00 -5.46 5.44 1.08 -1.91 0.13 115.11 119.32 2hwa h GLN 77 Ca -0.55 0.00 -0.43 0.00 -1.45 0.00 0.00 58.65 56.22 2hwa h GLN 77 Cb 1.23 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 28.45 2hwa h GLN 77 CO 0.59 0.44 -0.78 0.95 -0.95 0.00 0.00 178.83 179.07 2hwa s THR 78 N -3.27 1.23 0.13 -0.54 -4.23 -1.26 -4.84 115.64 102.86 2hwa s THR 78 Ca 0.02 -1.43 -0.30 0.00 -1.18 0.00 0.00 61.69 58.80 2hwa s THR 78 Cb 0.09 -1.24 -0.07 0.00 1.34 0.00 0.00 72.50 72.62 2hwa s THR 78 CO 0.71 -0.25 1.27 -2.16 -0.54 0.00 0.00 174.62 173.65 2hwa s PRO 79 N -1.98 4.41 0.21 3.99 0.04 -1.26 -4.89 135.00 135.53 2hwa s PRO 79 Ca 0.01 1.92 0.04 0.00 0.04 0.00 0.00 61.00 63.02 2hwa s PRO 79 Cb -0.09 -3.27 -0.02 0.00 0.04 0.00 0.00 34.50 31.17 2hwa s PRO 79 CO 0.03 -0.26 0.20 0.27 0.04 0.00 0.00 177.00 177.27 2hwa n ASN 80 N 3.35 -0.51 0.30 6.66 0.23 -1.26 -5.03 115.26 119.00 2hwa n ASN 80 Ca 0.08 -2.36 0.18 0.00 -0.53 0.00 0.00 54.58 51.94 2hwa n ASN 80 Cb 0.44 1.14 0.90 0.00 -2.08 0.00 0.00 39.78 40.18 2hwa n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2hwa h GLU 81 N 0.00 0.00 -0.00 -3.83 4.11 -1.99 -1.53 114.58 111.33 2hwa h GLU 81 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.28 2hwa h GLU 81 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2hwa h GLU 81 CO 0.22 0.04 -0.01 0.39 0.07 0.00 0.00 179.01 179.72 2hwa n GLU 82 N -3.30 0.60 0.00 1.06 1.02 -1.26 -3.53 120.64 115.23 2hwa n GLU 82 Ca -0.02 -0.02 0.11 0.00 -0.02 0.00 0.00 57.16 57.22 2hwa n GLU 82 Cb 0.19 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.15 2hwa n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2hwa s LEU 84 N -2.54 4.34 0.05 0.00 1.43 -1.23 -4.45 118.68 116.27 2hwa s LEU 84 Ca 0.18 0.91 0.07 0.00 -1.03 0.00 0.00 54.13 54.26 2hwa s LEU 84 Cb 0.18 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 2hwa s LEU 84 CO 0.60 0.07 -0.19 -0.36 0.23 0.00 0.00 176.35 176.70 2hwa s PHE 85 N 0.19 1.67 -0.41 0.29 0.40 -0.47 -1.49 117.98 118.16 2hwa s PHE 85 Ca 0.27 -0.37 -0.21 0.00 -0.60 0.00 0.00 56.93 56.02 2hwa s PHE 85 Cb -0.16 -0.99 0.02 0.00 0.51 0.00 0.00 43.02 42.40 2hwa s PHE 85 CO 0.12 0.09 0.64 -0.51 0.70 0.00 0.00 175.22 176.25 2hwa s LEU 86 N -1.22 4.42 -0.27 -0.37 1.43 0.12 -0.37 118.68 122.42 2hwa s LEU 86 Ca 0.06 -0.18 -0.19 0.00 -1.03 0.00 0.00 54.13 52.79 2hwa s LEU 86 Cb -0.09 -2.74 -0.02 0.00 0.03 0.00 0.00 46.19 43.37 2hwa s LEU 86 CO 0.02 -0.71 0.56 -0.70 0.23 0.00 0.00 176.35 175.74 2hwa s GLU 87 N 2.77 4.05 0.09 1.70 2.12 0.05 -1.41 118.70 128.08 2hwa s GLU 87 Ca 0.23 0.37 0.02 0.00 0.36 0.00 0.00 54.97 55.95 2hwa s GLU 87 Cb -0.14 -3.66 -0.04 0.00 0.26 0.00 0.00 34.13 30.55 2hwa s GLU 87 CO 0.18 -0.40 -0.07 1.03 -0.54 0.00 0.00 175.26 175.46 2hwa s ARG 88 N 2.39 0.77 0.43 4.30 1.81 -0.43 -4.68 118.95 123.55 2hwa s ARG 88 Ca 0.23 -1.20 -0.21 0.00 -1.72 0.00 0.00 55.73 52.83 2hwa s ARG 88 Cb -0.16 -0.26 -0.10 0.00 -0.45 0.00 0.00 34.95 33.98 2hwa s ARG 88 CO 0.09 0.01 0.97 -1.17 -0.68 0.00 0.00 175.30 174.51 2hwa s LEU 89 N -2.68 3.95 -0.02 2.53 2.96 -0.23 -0.85 118.68 124.33 2hwa s LEU 89 Ca 0.07 1.74 -0.03 0.00 -0.22 0.00 0.00 54.13 55.69 2hwa s LEU 89 Cb 0.01 -4.51 0.00 0.00 0.50 0.00 0.00 46.19 42.20 2hwa s LEU 89 CO -0.03 -0.42 0.08 -0.70 -1.32 0.00 0.00 176.35 173.96 2hwa s GLU 90 N -3.11 0.15 -1.21 1.98 2.56 0.08 -4.82 118.70 114.34 2hwa s GLU 90 Ca 0.62 -0.00 -0.06 0.00 0.00 0.00 0.00 54.97 55.53 2hwa s GLU 90 Cb -0.11 0.07 0.04 0.00 2.00 0.00 0.00 34.13 36.13 2hwa s GLU 90 CO 0.15 -0.02 0.34 0.39 -0.56 0.00 0.00 175.26 175.55 2hwa n GLU 91 N 2.76 -3.16 -2.39 4.30 1.02 -1.26 -1.24 120.64 120.67 2hwa n GLU 91 Ca -0.14 0.54 -0.17 0.00 -0.02 0.00 0.00 57.16 57.37 2hwa n GLU 91 Cb 0.59 -5.22 -0.01 0.00 -0.02 0.00 0.00 31.44 26.77 2hwa n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2hwa n ASN 92 N -2.14 -4.92 0.00 1.62 4.13 -1.26 -4.60 115.26 108.09 2hwa n ASN 92 Ca -0.06 0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.29 2hwa n ASN 92 Cb 0.57 -4.14 0.00 0.00 -1.54 0.00 0.00 39.78 34.67 2hwa n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 2hwa n HIS 93 N -3.66 -1.41 -2.75 3.10 -0.00 -0.38 -5.16 115.22 104.96 2hwa n HIS 93 Ca -0.20 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.27 2hwa n HIS 93 Cb 0.65 0.28 0.01 0.00 -0.00 0.00 0.00 29.99 30.93 2hwa n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2hwa s TYR 94 N -1.61 3.32 -0.10 1.57 2.02 -0.37 -4.83 117.35 117.34 2hwa s TYR 94 Ca 0.00 0.49 -0.06 0.00 -0.37 0.00 0.00 57.07 57.13 2hwa s TYR 94 Cb 0.00 -2.42 -0.04 0.00 -0.40 0.00 0.00 41.96 39.10 2hwa s TYR 94 CO 0.00 -0.46 0.12 -0.80 -1.57 0.00 0.00 175.55 172.84 2hwa s ASN 95 N -4.21 6.22 0.15 2.29 -0.87 0.47 -0.74 114.94 118.25 2hwa s ASN 95 Ca 0.49 0.41 0.08 0.00 -1.57 0.00 0.00 52.86 52.27 2hwa s ASN 95 Cb -0.10 -1.97 -0.04 0.00 -0.02 0.00 0.00 41.25 39.12 2hwa s ASN 95 CO 0.41 0.39 -0.17 0.42 -2.57 0.00 0.00 177.10 175.58 2hwa s THR 96 N -1.04 1.66 -0.22 1.60 -4.23 -0.03 -1.26 115.64 112.12 2hwa s THR 96 Ca 0.16 -1.87 -0.01 0.00 -1.18 0.00 0.00 61.69 58.79 2hwa s THR 96 Cb -0.12 -1.76 0.06 0.00 1.34 0.00 0.00 72.50 72.03 2hwa s THR 96 CO 0.06 -0.36 0.01 -0.31 -0.54 0.00 0.00 174.62 173.47 2hwa s TYR 97 N -2.13 1.62 -0.17 3.99 1.51 -1.26 -1.31 117.35 119.61 2hwa s TYR 97 Ca 0.14 -1.29 -0.08 0.00 -1.01 0.00 0.00 57.07 54.82 2hwa s TYR 97 Cb -0.05 -1.31 -0.05 0.00 -0.11 0.00 0.00 41.96 40.44 2hwa s TYR 97 CO 0.05 -0.70 0.12 0.42 -1.11 0.00 0.00 175.55 174.34 2hwa s ILE 98 N 1.65 5.35 -0.02 2.71 1.01 -0.50 -0.67 121.20 130.74 2hwa s ILE 98 Ca -0.02 0.16 -0.33 0.00 0.00 0.00 0.00 60.65 60.47 2hwa s ILE 98 Cb -0.18 -3.40 -0.11 0.00 0.01 0.00 0.00 42.46 38.79 2hwa s ILE 98 CO -0.09 0.51 1.89 -0.24 0.00 0.00 0.00 174.94 177.01 2hwa n SER 99 N 2.96 3.72 -0.04 3.58 2.88 0.11 0.13 113.62 126.96 2hwa n SER 99 Ca -0.17 0.96 -0.11 0.00 -1.33 0.00 0.00 58.87 58.21 2hwa n SER 99 Cb 0.53 -1.44 -0.05 0.00 -0.75 0.00 0.00 64.21 62.50 2hwa n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2hwa h LYS 100 N 9.42 0.24 -0.86 -1.46 3.64 -1.59 0.53 116.57 126.50 2hwa h LYS 100 Ca -0.49 -0.04 0.12 0.00 -1.27 0.00 0.00 60.65 58.97 2hwa h LYS 100 Cb 1.26 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.98 2hwa h LYS 100 CO 0.94 0.33 0.56 -0.22 -2.27 0.00 0.00 179.45 178.78 2hwa h LYS 101 N 0.09 0.72 -0.34 1.90 1.63 -1.78 -2.31 116.57 116.48 2hwa h LYS 101 Ca 0.05 -0.04 -0.20 0.00 -0.85 0.00 0.00 60.65 59.60 2hwa h LYS 101 Cb 0.18 -0.16 -0.13 0.00 -0.60 0.00 0.00 32.23 31.52 2hwa h LYS 101 CO -0.00 0.48 -0.23 0.72 -3.45 0.00 0.00 179.45 176.96 2hwa n HIS 102 N -4.53 1.12 -0.34 1.91 8.25 -1.11 -4.75 115.22 115.76 2hwa n HIS 102 Ca 0.15 -1.72 -0.00 0.00 -0.26 0.00 0.00 57.72 55.89 2hwa n HIS 102 Cb 0.39 -0.46 0.13 0.00 1.12 0.00 0.00 29.99 31.17 2hwa n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2hwa h ALA 103 N 1.18 1.24 -0.00 -1.41 0.00 -0.30 -1.48 119.26 118.49 2hwa h ALA 103 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2hwa h ALA 103 Cb 1.46 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2hwa h ALA 103 CO 0.39 0.44 0.00 1.49 0.00 0.00 0.00 179.25 181.57 2hwa h GLU 104 N 1.14 0.00 -0.46 0.00 4.81 -1.85 -1.01 114.58 117.20 2hwa h GLU 104 Ca 0.38 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 2hwa h GLU 104 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2hwa h GLU 104 CO -0.14 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.77 2hwa n LYS 105 N -3.80 2.35 -3.71 1.92 5.02 -0.57 -4.98 118.16 114.40 2hwa n LYS 105 Ca -0.03 -2.08 -0.23 0.00 -2.02 0.00 0.00 58.31 53.96 2hwa n LYS 105 Cb 0.09 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 33.64 2hwa n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2hwa n ASN 106 N 1.23 -1.74 -4.64 4.39 5.03 -0.38 -4.95 115.26 114.21 2hwa n ASN 106 Ca 0.19 -0.86 -0.39 0.00 0.87 0.00 0.00 54.58 54.39 2hwa n ASN 106 Cb 0.52 -3.90 -0.08 0.00 -1.02 0.00 0.00 39.78 35.31 2hwa n ASN 106 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2hwa s TRP 107 N -3.68 3.31 0.28 3.10 0.52 -1.22 -4.51 118.94 116.73 2hwa s TRP 107 Ca 0.07 0.57 0.09 0.00 0.02 0.00 0.00 56.10 56.85 2hwa s TRP 107 Cb -0.02 -2.60 -0.04 0.00 -1.15 0.00 0.00 33.47 29.66 2hwa s TRP 107 CO 0.82 -0.15 0.04 -0.06 0.02 0.00 0.00 176.95 177.62 2hwa s PHE 108 N 1.82 2.73 0.02 -1.98 0.40 -1.26 -0.71 117.98 119.00 2hwa s PHE 108 Ca 0.19 -0.24 -0.30 0.00 -0.60 0.00 0.00 56.93 55.97 2hwa s PHE 108 Cb -0.15 -1.29 -0.04 0.00 0.51 0.00 0.00 43.02 42.04 2hwa s PHE 108 CO 0.09 0.56 1.05 0.08 0.70 0.00 0.00 175.22 177.70 2hwa s VAL 109 N -2.33 4.59 -0.11 -0.44 1.01 0.16 -4.64 120.40 118.63 2hwa s VAL 109 Ca 0.33 1.87 -0.24 0.00 0.00 0.00 0.00 61.98 63.94 2hwa s VAL 109 Cb -0.06 -4.20 0.06 0.00 0.00 0.00 0.00 36.38 32.18 2hwa s VAL 109 CO 0.21 0.15 0.58 -0.83 0.00 0.00 0.00 175.10 175.21 2hwa s GLY 110 N 0.98 -0.45 -0.10 4.51 0.00 -1.26 -4.45 107.32 106.56 2hwa s GLY 110 Ca 0.54 1.27 0.01 0.00 0.00 0.00 0.00 44.72 46.55 2hwa s GLY 110 CO 0.29 0.99 -0.14 1.08 0.00 0.00 0.00 173.10 175.32 2hwa s LEU 111 N -0.62 2.71 0.86 0.66 1.43 -0.53 -0.91 118.68 122.28 2hwa s LEU 111 Ca -0.07 -0.28 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 2hwa s LEU 111 Cb -0.03 -1.58 0.11 0.00 0.03 0.00 0.00 46.19 44.72 2hwa s LEU 111 CO 0.05 0.24 1.18 -0.54 0.23 0.00 0.00 176.35 177.51 2hwa s LYS 112 N -0.09 1.59 0.57 1.70 1.02 0.19 -4.38 119.74 120.34 2hwa s LYS 112 Ca -0.02 0.12 0.30 0.00 0.02 0.00 0.00 55.97 56.39 2hwa s LYS 112 Cb -0.14 -1.91 1.73 0.00 -0.52 0.00 0.00 37.83 37.00 2hwa s LYS 112 CO 0.04 -1.86 2.19 0.87 -0.92 0.00 0.00 175.35 175.67 2hwa h LYS 113 N -1.25 0.00 -0.32 1.68 1.57 -1.87 -1.37 116.57 115.01 2hwa h LYS 113 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2hwa h LYS 113 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2hwa h LYS 113 CO 0.62 0.04 0.00 0.27 -0.57 0.00 0.00 179.45 179.82 2hwa n ASN 114 N -3.69 2.16 0.00 0.86 0.23 -1.26 -4.57 115.26 108.99 2hwa n ASN 114 Ca -0.02 -1.88 0.00 0.00 -0.53 0.00 0.00 54.58 52.14 2hwa n ASN 114 Cb 0.14 -0.21 0.00 0.00 -2.08 0.00 0.00 39.78 37.63 2hwa n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2hwa n GLY 115 N 1.19 1.03 3.88 4.83 0.00 -0.52 -5.00 105.19 110.60 2hwa n GLY 115 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2hwa n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hwa s SER 116 N -3.05 6.57 0.41 1.61 1.04 -1.26 -0.95 113.70 118.07 2hwa s SER 116 Ca 0.00 0.96 -0.25 0.00 0.48 0.00 0.00 55.95 57.14 2hwa s SER 116 Cb 0.00 -2.25 -0.08 0.00 0.10 0.00 0.00 66.02 63.79 2hwa s SER 116 CO 0.00 -0.20 1.23 -0.69 0.98 0.00 0.00 173.24 174.56 2hwa s VAL 117 N -2.04 2.90 -0.18 5.02 1.01 -1.26 -0.63 120.40 125.21 2hwa s VAL 117 Ca 0.48 0.77 -0.15 0.00 0.00 0.00 0.00 61.98 63.09 2hwa s VAL 117 Cb -0.11 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2hwa s VAL 117 CO 0.25 0.09 0.35 -0.75 0.00 0.00 0.00 175.10 175.04 2hwa s LYS 118 N -2.28 4.21 0.42 2.72 2.20 -0.09 -4.79 119.74 122.14 2hwa s LYS 118 Ca 0.57 0.15 -0.26 0.00 -0.36 0.00 0.00 55.97 56.08 2hwa s LYS 118 Cb -0.34 -3.49 -0.09 0.00 -1.51 0.00 0.00 37.83 32.40 2hwa s LYS 118 CO 0.43 0.08 1.37 0.50 -0.36 0.00 0.00 175.35 177.37 2hwa s ARG 119 N 0.94 3.85 0.15 4.03 3.52 -1.26 -4.48 118.95 125.70 2hwa s ARG 119 Ca 0.18 2.29 -0.29 0.00 -0.13 0.00 0.00 55.73 57.78 2hwa s ARG 119 Cb -0.14 -2.72 -0.07 0.00 -1.56 0.00 0.00 34.95 30.46 2hwa s ARG 119 CO 0.06 -0.64 1.47 0.41 -0.81 0.00 0.00 175.30 175.79 2hwa n GLY 120 N 0.62 -2.52 0.26 8.12 0.00 0.32 -0.16 105.19 111.83 2hwa n GLY 120 Ca 0.04 1.13 0.17 0.00 0.00 0.00 0.00 46.02 47.36 2hwa n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hwa h PRO 121 N 0.00 0.00 0.00 1.61 0.13 -1.86 -1.15 132.00 130.73 2hwa h PRO 121 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2hwa h PRO 121 Cb 0.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.51 2hwa h PRO 121 CO -0.88 0.00 -0.35 0.54 -0.23 0.00 0.00 178.00 177.08 2hwa n ARG 122 N -2.70 0.18 -2.69 0.86 5.12 0.78 -4.89 116.66 113.33 2hwa n ARG 122 Ca -0.02 0.09 -0.28 0.00 -1.93 0.00 0.00 57.85 55.71 2hwa n ARG 122 Cb 0.06 -1.65 -0.00 0.00 -1.16 0.00 0.00 32.46 29.71 2hwa n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2hwa s THR 123 N -3.09 4.91 -0.08 0.55 -4.23 -0.44 -4.97 115.64 108.29 2hwa s THR 123 Ca 0.09 0.22 -0.32 0.00 -1.18 0.00 0.00 61.69 60.50 2hwa s THR 123 Cb 0.15 -3.85 0.12 0.00 1.34 0.00 0.00 72.50 70.26 2hwa s THR 123 CO 0.66 -0.80 1.13 -1.38 -0.54 0.00 0.00 174.62 173.68 2hwa s HIS 124 N -2.68 -0.16 0.41 3.99 -3.43 -1.26 -4.83 115.29 107.32 2hwa s HIS 124 Ca 0.47 0.06 -0.26 0.00 -0.80 0.00 0.00 55.06 54.53 2hwa s HIS 124 Cb -0.10 0.54 -0.10 0.00 -1.43 0.00 0.00 32.58 31.48 2hwa s HIS 124 CO 0.43 -0.36 1.32 0.66 -2.00 0.00 0.00 174.74 174.80 2hwa n TYR 125 N -0.24 2.34 0.00 0.38 4.01 -1.26 -2.94 117.16 119.45 2hwa n TYR 125 Ca -0.04 0.49 0.00 0.00 -0.16 0.00 0.00 57.90 58.19 2hwa n TYR 125 Cb 0.60 -2.41 0.00 0.00 -0.31 0.00 0.00 39.34 37.22 2hwa n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2hwa n GLY 126 N 0.73 2.66 3.83 2.72 0.00 -1.26 -5.09 105.19 108.78 2hwa n GLY 126 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 2hwa n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hwa s GLN 127 N -0.39 4.19 0.44 1.61 -0.21 -1.15 -4.97 119.66 119.18 2hwa s GLN 127 Ca 0.00 0.95 0.24 0.00 0.02 0.00 0.00 55.36 56.58 2hwa s GLN 127 Cb 0.00 -2.41 0.59 0.00 1.00 0.00 0.00 33.01 32.20 2hwa s GLN 127 CO 0.00 0.11 1.69 0.87 -2.12 0.00 0.00 175.29 175.85 2hwa h LYS 128 N 2.32 0.00 -0.32 2.91 1.57 -1.97 -3.25 116.57 117.83 2hwa h LYS 128 Ca -0.48 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.39 2hwa h LYS 128 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 2hwa h LYS 128 CO 0.63 0.09 0.23 0.00 -0.57 0.00 0.00 179.45 179.84 2hwa h ALA 129 N 1.91 2.28 -0.01 3.86 0.00 -1.94 -2.33 119.26 123.02 2hwa h ALA 129 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2hwa h ALA 129 Cb 0.92 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2hwa h ALA 129 CO 0.01 -0.40 -0.18 0.44 0.00 0.00 0.00 179.25 179.13 2hwa n ILE 130 N -4.40 0.00 -3.22 0.00 -5.35 -1.23 -1.45 119.36 103.71 2hwa n ILE 130 Ca 0.05 -0.18 -0.40 0.00 -0.27 0.00 0.00 62.75 61.95 2hwa n ILE 130 Cb 0.40 0.49 -0.07 0.00 -1.74 0.00 0.00 39.64 38.72 2hwa n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2hwa s LEU 131 N -2.33 4.10 0.12 7.28 1.43 -0.88 -4.46 118.68 123.94 2hwa s LEU 131 Ca 0.29 0.62 0.09 0.00 -1.03 0.00 0.00 54.13 54.09 2hwa s LEU 131 Cb 0.20 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 2hwa s LEU 131 CO 0.46 -0.25 -0.23 -0.36 0.23 0.00 0.00 176.35 176.20 2hwa s PHE 132 N 2.02 1.99 -0.13 0.29 0.40 -0.39 -2.85 117.98 119.31 2hwa s PHE 132 Ca 0.23 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 56.17 2hwa s PHE 132 Cb -0.15 -1.08 0.02 0.00 0.51 0.00 0.00 43.02 42.31 2hwa s PHE 132 CO 0.09 0.26 -0.17 -0.51 0.70 0.00 0.00 175.22 175.60 2hwa s LEU 133 N -1.99 1.82 0.21 -0.37 1.43 0.84 -0.40 118.68 120.22 2hwa s LEU 133 Ca 0.10 -0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 52.41 2hwa s LEU 133 Cb -0.10 -1.21 -0.08 0.00 0.03 0.00 0.00 46.19 44.83 2hwa s LEU 133 CO 0.05 0.01 1.10 -2.16 0.23 0.00 0.00 176.35 175.58 2hwa s PRO 134 N 1.08 4.62 0.09 1.29 0.04 -1.26 -1.06 135.00 139.80 2hwa s PRO 134 Ca -0.03 1.75 0.06 0.00 0.04 0.00 0.00 61.00 62.82 2hwa s PRO 134 Cb -0.14 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 2hwa s PRO 134 CO -0.04 0.13 -0.17 -0.51 0.04 0.00 0.00 177.00 176.45 2hwa s LEU 135 N -0.76 2.30 0.70 -3.56 1.43 -0.29 -4.94 118.68 113.57 2hwa s LEU 135 Ca 0.48 -0.67 -0.14 0.00 -1.03 0.00 0.00 54.13 52.76 2hwa s LEU 135 Cb -0.30 -0.66 0.02 0.00 0.03 0.00 0.00 46.19 45.28 2hwa s LEU 135 CO 0.37 -0.03 1.12 -2.16 0.23 0.00 0.00 176.35 175.88 2hwa s PRO 136 N -1.94 2.54 0.00 1.29 0.04 -1.26 -0.60 135.00 135.08 2hwa s PRO 136 Ca 0.03 1.41 0.29 0.00 0.04 0.00 0.00 61.00 62.76 2hwa s PRO 136 Cb -0.09 -1.92 1.26 0.00 0.04 0.00 0.00 34.50 33.79 2hwa s PRO 136 CO 0.03 -1.45 1.87 0.28 0.04 0.00 0.00 177.00 177.76