#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwu n ASN 2 N 0.00 -0.15 -3.44 6.15 6.94 -1.26 0.07 115.26 123.56 1bwu n ASN 2 Ca 0.00 -1.56 -0.13 0.00 -0.02 0.00 0.00 54.58 52.87 1bwu n ASN 2 Cb 0.00 0.01 -0.03 0.00 -2.36 0.00 0.00 39.78 37.40 1bwu n ASN 2 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1bwu s ILE 3 N 0.00 0.00 -0.25 1.53 2.07 -1.26 -2.09 121.20 121.20 1bwu s ILE 3 Ca 0.04 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.24 1bwu s ILE 3 Cb 0.04 -1.00 0.08 0.00 0.13 0.00 0.00 42.46 41.72 1bwu s ILE 3 CO -0.02 0.00 0.10 -0.76 -1.91 0.00 0.00 174.94 172.35 1bwu s LEU 4 N -2.45 0.91 -0.48 8.50 1.43 -0.52 -4.97 118.68 121.09 1bwu s LEU 4 Ca -0.01 -1.12 -0.28 0.00 -1.03 0.00 0.00 54.13 51.69 1bwu s LEU 4 Cb -0.01 -0.46 -0.00 0.00 0.03 0.00 0.00 46.19 45.75 1bwu s LEU 4 CO -0.09 -0.39 1.58 -0.89 0.23 0.00 0.00 176.35 176.79 1bwu s THR 5 N 1.98 3.67 0.00 5.49 2.01 -1.26 -2.85 115.64 124.68 1bwu s THR 5 Ca 0.06 0.61 0.00 0.00 0.31 0.00 0.00 61.69 62.66 1bwu s THR 5 Cb -0.16 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.22 1bwu s THR 5 CO -0.24 -0.86 0.00 -3.20 -0.69 0.00 0.00 174.62 169.63 1bwu n ASN 6 N 10.11 0.00 -3.73 3.53 5.15 0.24 -3.59 115.26 126.98 1bwu n ASN 6 Ca 0.17 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.74 1bwu n ASN 6 Cb 0.49 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.75 1bwu n ASN 6 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1bwu n ASP 7 N 2.93 7.09 -3.52 1.20 9.92 -1.25 -4.16 116.55 128.76 1bwu n ASP 7 Ca 0.00 -3.52 -0.13 0.00 -0.53 0.00 0.00 54.79 50.61 1bwu n ASP 7 Cb 0.00 -1.24 0.01 0.00 -0.64 0.00 0.00 41.12 39.26 1bwu n ASP 7 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1bwu n GLU 8 N 0.71 0.96 -3.63 -1.24 -0.58 -1.24 -4.97 120.64 110.66 1bwu n GLU 8 Ca 0.43 -1.76 -0.11 0.00 -0.42 0.00 0.00 57.16 55.30 1bwu n GLU 8 Cb 0.28 0.08 -0.07 0.00 -0.57 0.00 0.00 31.44 31.16 1bwu n GLU 8 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1bwu s GLY 9 N -3.12 -0.53 -0.43 0.62 0.00 -1.26 -3.02 107.32 99.57 1bwu s GLY 9 Ca 0.22 2.25 -0.19 0.00 0.00 0.00 0.00 44.72 47.00 1bwu s GLY 9 CO 0.14 2.01 0.53 1.08 0.00 0.00 0.00 173.10 176.87 1bwu s LEU 10 N 0.84 4.72 0.48 0.66 1.43 0.14 -4.97 118.68 121.98 1bwu s LEU 10 Ca -0.04 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 1bwu s LEU 10 Cb -0.05 -2.53 0.01 0.00 0.03 0.00 0.00 46.19 43.65 1bwu s LEU 10 CO -0.07 -0.68 0.69 -0.31 0.23 0.00 0.00 176.35 176.21 1bwu s TYR 11 N 2.44 3.07 -0.24 0.29 2.02 -1.26 -0.92 117.35 122.75 1bwu s TYR 11 Ca 0.17 0.09 -0.42 0.00 -0.37 0.00 0.00 57.07 56.54 1bwu s TYR 11 Cb -0.16 -2.45 -0.18 0.00 -0.40 0.00 0.00 41.96 38.77 1bwu s TYR 11 CO 0.16 -0.52 1.50 0.41 -1.57 0.00 0.00 175.55 175.53 1bwu n GLY 12 N -2.13 0.35 1.82 0.71 0.00 -1.03 -0.62 105.19 104.29 1bwu n GLY 12 Ca 0.04 0.89 0.00 0.00 0.00 0.00 0.00 46.02 46.95 1bwu n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwu n GLY 13 N 3.35 0.55 3.71 -0.02 0.00 0.86 -5.01 105.19 108.62 1bwu n GLY 13 Ca 0.25 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.00 1bwu n GLY 13 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bwu s GLN 14 N -0.10 2.60 0.33 1.61 -0.21 0.21 -4.89 119.66 119.21 1bwu s GLN 14 Ca 0.00 -0.98 0.04 0.00 0.02 0.00 0.00 55.36 54.44 1bwu s GLN 14 Cb 0.00 -2.49 -0.02 0.00 1.00 0.00 0.00 33.01 31.50 1bwu s GLN 14 CO 0.00 0.48 0.34 -1.54 -2.12 0.00 0.00 175.29 172.45 1bwu s SER 15 N -2.88 1.44 -0.08 5.90 1.04 -1.26 -0.85 113.70 117.01 1bwu s SER 15 Ca 0.28 -1.68 0.02 0.00 0.48 0.00 0.00 55.95 55.06 1bwu s SER 15 Cb -0.10 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.62 1bwu s SER 15 CO 0.20 -1.14 -0.13 -0.76 0.98 0.00 0.00 173.24 172.40 1bwu s LEU 16 N -3.33 1.63 -0.03 2.42 1.43 -0.84 -4.66 118.68 115.29 1bwu s LEU 16 Ca 0.38 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 1bwu s LEU 16 Cb 0.02 -0.88 0.00 0.00 0.03 0.00 0.00 46.19 45.35 1bwu s LEU 16 CO 0.25 0.02 -0.12 -1.81 0.23 0.00 0.00 176.35 174.93 1bwu s ASP 17 N 0.77 1.55 -0.21 2.29 1.01 0.11 -1.38 116.67 120.82 1bwu s ASP 17 Ca -0.12 -0.25 -0.05 0.00 0.71 0.00 0.00 52.55 52.84 1bwu s ASP 17 Cb -0.16 -0.44 0.10 0.00 1.01 0.00 0.00 42.92 43.44 1bwu s ASP 17 CO 0.02 0.09 0.39 -0.69 0.21 0.00 0.00 175.17 175.20 1bwu s VAL 18 N 0.17 -0.62 0.00 -1.27 1.01 -1.08 -4.42 120.40 114.20 1bwu s VAL 18 Ca -0.04 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1bwu s VAL 18 Cb -0.10 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1bwu s VAL 18 CO 0.01 0.02 0.00 0.59 0.00 0.00 0.00 175.10 175.72 1bwu n ASN 19 N 5.38 0.00 0.00 3.32 3.02 -1.26 -1.37 115.26 124.35 1bwu n ASN 19 Ca -0.07 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.62 1bwu n ASN 19 Cb 0.50 0.00 0.69 0.00 -0.61 0.00 0.00 39.78 40.36 1bwu n ASN 19 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1bwu n PRO 20 N 9.59 0.35 -2.19 3.52 -0.04 -1.26 -4.86 135.00 140.10 1bwu n PRO 20 Ca 0.00 0.02 -0.33 0.00 -0.04 0.00 0.00 63.50 63.15 1bwu n PRO 20 Cb 0.00 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1bwu n PRO 20 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1bwu s TYR 21 N -2.63 2.95 -0.23 0.54 2.02 -0.47 -0.58 117.35 118.95 1bwu s TYR 21 Ca 0.25 1.53 -0.11 0.00 -0.37 0.00 0.00 57.07 58.37 1bwu s TYR 21 Cb 0.19 -3.05 0.08 0.00 -0.40 0.00 0.00 41.96 38.78 1bwu s TYR 21 CO 0.44 -1.09 0.55 -1.01 -1.57 0.00 0.00 175.55 172.86 1bwu s HIS 22 N -2.26 -0.91 -0.59 2.71 3.76 -1.02 -2.62 115.29 114.36 1bwu s HIS 22 Ca 0.65 1.78 -0.03 0.00 -0.15 0.00 0.00 55.06 57.32 1bwu s HIS 22 Cb -0.17 0.48 0.15 0.00 1.11 0.00 0.00 32.58 34.16 1bwu s HIS 22 CO 0.31 -0.48 0.41 -1.17 -0.85 0.00 0.00 174.74 172.96 1bwu s LEU 23 N 1.89 5.26 -0.08 0.89 2.96 -0.48 -1.10 118.68 128.02 1bwu s LEU 23 Ca -0.08 -2.72 -0.02 0.00 -0.22 0.00 0.00 54.13 51.08 1bwu s LEU 23 Cb -0.08 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1bwu s LEU 23 CO -0.16 -0.40 0.04 -0.51 -1.32 0.00 0.00 176.35 173.99 1bwu s ILE 24 N 0.13 4.56 -0.58 6.68 1.10 -0.79 -1.99 121.20 130.31 1bwu s ILE 24 Ca 0.16 -0.21 -0.18 0.00 -0.51 0.00 0.00 60.65 59.91 1bwu s ILE 24 Cb -0.21 -2.96 0.12 0.00 0.15 0.00 0.00 42.46 39.56 1bwu s ILE 24 CO -0.03 0.56 0.62 -0.32 -2.11 0.00 0.00 174.94 173.66 1bwu s MET 25 N -1.05 3.03 1.19 3.50 -2.45 -0.03 -2.37 119.30 121.12 1bwu s MET 25 Ca 0.15 -1.50 -0.17 0.00 -1.25 0.00 0.00 55.69 52.92 1bwu s MET 25 Cb -0.12 -4.29 0.28 0.00 1.25 0.00 0.00 34.83 31.96 1bwu s MET 25 CO 0.04 -1.46 1.06 -0.65 1.05 0.00 0.00 175.02 175.07 1bwu s GLN 26 N 2.22 -1.11 0.21 4.11 -0.21 -1.07 -0.10 119.66 123.70 1bwu s GLN 26 Ca 0.08 0.21 -0.10 0.00 0.02 0.00 0.00 55.36 55.56 1bwu s GLN 26 Cb -0.26 -1.58 0.16 0.00 1.00 0.00 0.00 33.01 32.32 1bwu s GLN 26 CO 0.05 -3.70 1.87 1.05 -2.12 0.00 0.00 175.29 172.44 1bwu h GLU 27 N -2.58 0.95 -7.01 2.91 4.11 -1.95 -3.35 114.58 107.65 1bwu h GLU 27 Ca -0.49 -0.06 -0.49 0.00 0.07 0.00 0.00 59.36 58.39 1bwu h GLU 27 Cb 1.32 -0.21 0.02 0.00 0.50 0.00 0.00 28.75 30.37 1bwu h GLU 27 CO 0.41 0.63 0.23 0.16 0.07 0.00 0.00 179.01 180.51 1bwu s ASP 28 N -5.85 6.51 0.00 3.06 -4.77 -1.26 -2.59 116.67 111.77 1bwu s ASP 28 Ca -0.13 1.29 0.00 0.00 -3.30 0.00 0.00 52.55 50.41 1bwu s ASP 28 Cb 0.15 -2.39 0.00 0.00 -1.09 0.00 0.00 42.92 39.59 1bwu s ASP 28 CO 0.78 -0.52 0.27 0.00 0.70 0.00 0.00 175.17 176.40 1bwu s ASN 30 N 1.46 6.14 -0.37 0.00 3.04 -1.21 -4.34 114.94 119.66 1bwu s ASN 30 Ca 0.00 0.00 -0.20 0.00 0.04 0.00 0.00 52.86 52.71 1bwu s ASN 30 Cb 0.00 -2.17 0.01 0.00 -1.54 0.00 0.00 41.25 37.54 1bwu s ASN 30 CO 0.00 -0.18 0.60 -0.22 -3.04 0.00 0.00 177.10 174.26 1bwu s LEU 31 N 1.93 4.34 0.05 3.21 2.96 -1.26 -2.61 118.68 127.30 1bwu s LEU 31 Ca 0.11 -0.01 0.06 0.00 -0.22 0.00 0.00 54.13 54.07 1bwu s LEU 31 Cb -0.16 -2.71 -0.02 0.00 0.50 0.00 0.00 46.19 43.79 1bwu s LEU 31 CO 0.11 -0.60 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.67 1bwu s VAL 32 N 2.63 1.43 -0.33 1.68 1.01 -1.00 -0.80 120.40 125.02 1bwu s VAL 32 Ca 0.22 -1.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 1bwu s VAL 32 Cb -0.15 -1.27 0.06 0.00 0.00 0.00 0.00 36.38 35.03 1bwu s VAL 32 CO 0.15 0.08 0.05 -0.22 0.00 0.00 0.00 175.10 175.16 1bwu s LEU 33 N -1.26 4.22 0.30 3.92 2.96 -0.64 -1.89 118.68 126.29 1bwu s LEU 33 Ca 0.05 -1.45 0.06 0.00 -0.22 0.00 0.00 54.13 52.56 1bwu s LEU 33 Cb -0.09 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 1bwu s LEU 33 CO 0.02 -0.32 0.43 -0.31 -1.32 0.00 0.00 176.35 174.85 1bwu s TYR 34 N 1.22 3.26 -0.62 5.38 1.51 -0.26 -0.58 117.35 127.26 1bwu s TYR 34 Ca -0.02 -0.12 0.03 0.00 -1.01 0.00 0.00 57.07 55.95 1bwu s TYR 34 Cb -0.20 -1.83 0.38 0.00 -0.11 0.00 0.00 41.96 40.20 1bwu s TYR 34 CO -0.02 0.16 1.37 -0.25 -1.11 0.00 0.00 175.55 175.71 1bwu n ASP 35 N -1.56 5.61 0.00 2.29 9.92 0.07 -2.42 116.55 130.46 1bwu n ASP 35 Ca -0.04 -3.74 0.00 0.00 -0.53 0.00 0.00 54.79 50.48 1bwu n ASP 35 Cb 0.58 -0.69 0.00 0.00 -0.64 0.00 0.00 41.12 40.36 1bwu n ASP 35 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1bwu n HIS 36 N -0.42 0.00 0.00 1.24 -0.00 0.25 -4.19 115.22 112.10 1bwu n HIS 36 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.14 1bwu n HIS 36 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.46 1bwu n HIS 36 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1bwu n SER 37 N 1.78 0.00 -4.85 0.26 7.64 -1.26 -5.06 113.62 112.12 1bwu n SER 37 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 1bwu n SER 37 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1bwu n SER 37 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1bwu s THR 38 N -0.19 5.27 0.01 0.44 2.01 -1.26 -5.05 115.64 116.86 1bwu s THR 38 Ca 0.00 0.53 -0.27 0.00 0.31 0.00 0.00 61.69 62.26 1bwu s THR 38 Cb 0.00 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1bwu s THR 38 CO 0.00 0.59 0.85 0.00 -0.69 0.00 0.00 174.62 175.37 1bwu s ALA 39 N -0.99 3.27 0.00 7.40 0.00 -1.26 -0.75 121.76 129.42 1bwu s ALA 39 Ca 0.19 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1bwu s ALA 39 Cb -0.14 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1bwu s ALA 39 CO 0.09 -0.09 0.06 1.33 0.00 0.00 0.00 175.76 177.15 1bwu n VAL 40 N 3.41 0.00 -3.54 0.00 0.24 0.26 -4.95 118.33 113.76 1bwu n VAL 40 Ca 0.01 -0.45 -0.16 0.00 -2.04 0.00 0.00 64.34 61.70 1bwu n VAL 40 Cb 0.51 1.01 -0.06 0.00 -1.47 0.00 0.00 33.84 33.83 1bwu n VAL 40 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1bwu s TRP 41 N -0.77 -0.60 0.00 6.34 -0.00 -1.18 -5.00 118.94 117.72 1bwu s TRP 41 Ca 0.00 1.05 -0.17 0.00 -0.00 0.00 0.00 56.10 56.98 1bwu s TRP 41 Cb 0.00 0.41 0.03 0.00 -0.00 0.00 0.00 33.47 33.91 1bwu s TRP 41 CO 0.00 -0.54 0.36 0.45 -0.00 0.00 0.00 176.95 177.22 1bwu s SER 42 N -1.12 -0.24 0.11 5.86 0.15 -1.26 -1.62 113.70 115.57 1bwu s SER 42 Ca -0.09 0.09 -0.03 0.00 0.70 0.00 0.00 55.95 56.63 1bwu s SER 42 Cb -0.00 0.36 -0.16 0.00 -1.71 0.00 0.00 66.02 64.50 1bwu s SER 42 CO 0.08 -0.53 1.24 -1.28 1.20 0.00 0.00 173.24 173.96 1bwu h SER 43 N 3.53 0.43 -3.71 5.45 0.87 -1.35 -3.49 113.55 115.27 1bwu h SER 43 Ca -0.30 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 59.87 1bwu h SER 43 Cb 1.18 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1bwu h SER 43 CO 0.41 1.24 -0.13 -3.20 -0.53 0.00 0.00 176.83 174.63 1bwu n ASN 44 N -3.63 -3.84 -2.70 6.23 5.15 -1.26 -4.98 115.26 110.23 1bwu n ASN 44 Ca -0.07 0.13 -0.04 0.00 -0.60 0.00 0.00 54.58 54.00 1bwu n ASN 44 Cb 0.91 -2.36 0.11 0.00 -0.53 0.00 0.00 39.78 37.91 1bwu n ASN 44 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1bwu n THR 45 N -0.59 0.24 -0.61 -0.44 -1.04 -1.26 -4.96 114.28 105.62 1bwu n THR 45 Ca 0.03 -1.59 -0.03 0.00 -2.04 0.00 0.00 64.05 60.42 1bwu n THR 45 Cb 0.21 1.01 -0.01 0.00 -1.82 0.00 0.00 70.33 69.72 1bwu n THR 45 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1bwu n ASP 46 N -0.98 5.49 -4.65 8.00 5.75 -1.26 -3.32 116.55 125.57 1bwu n ASP 46 Ca -0.07 -2.50 -0.46 0.00 -0.01 0.00 0.00 54.79 51.74 1bwu n ASP 46 Cb 0.85 -1.15 -0.03 0.00 -1.03 0.00 0.00 41.12 39.76 1bwu n ASP 46 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1bwu n ILE 47 N 1.45 0.79 -2.37 2.12 2.08 -1.26 -4.92 119.36 117.25 1bwu n ILE 47 Ca 0.08 -0.20 -0.43 0.00 0.56 0.00 0.00 62.75 62.77 1bwu n ILE 47 Cb 0.55 -1.35 -0.02 0.00 -0.75 0.00 0.00 39.64 38.06 1bwu n ILE 47 CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 1bwu s PRO 48 N -0.21 4.11 0.00 0.38 0.02 -1.26 -2.81 135.00 135.24 1bwu s PRO 48 Ca 0.71 1.59 0.00 0.00 0.02 0.00 0.00 61.00 63.32 1bwu s PRO 48 Cb -0.70 -3.83 0.00 0.00 0.02 0.00 0.00 34.50 29.99 1bwu s PRO 48 CO 0.48 -0.87 0.00 0.41 -0.33 0.00 0.00 177.00 176.69 1bwu n GLY 49 N 3.91 0.85 2.85 0.52 0.00 -1.26 -5.05 105.19 107.02 1bwu n GLY 49 Ca 0.15 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 1bwu n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bwu s LYS 50 N -0.83 1.32 0.13 1.61 3.01 -1.12 -5.10 119.74 118.75 1bwu s LYS 50 Ca 0.00 -1.83 0.09 0.00 -1.01 0.00 0.00 55.97 53.22 1bwu s LYS 50 Cb 0.00 -2.69 -0.04 0.00 -1.01 0.00 0.00 37.83 34.09 1bwu s LYS 50 CO 0.00 -1.04 -0.18 0.21 0.51 0.00 0.00 175.35 174.85 1bwu s LYS 51 N 0.74 1.78 -0.71 1.68 2.20 -1.26 -2.68 119.74 121.48 1bwu s LYS 51 Ca 0.13 -1.21 -0.01 0.00 -0.36 0.00 0.00 55.97 54.52 1bwu s LYS 51 Cb -0.21 -2.09 -0.01 0.00 -1.51 0.00 0.00 37.83 34.00 1bwu s LYS 51 CO -0.09 0.47 0.66 0.41 -0.36 0.00 0.00 175.35 176.44 1bwu n GLY 52 N 0.70 -1.09 3.95 5.54 0.00 -1.07 -4.50 105.19 108.73 1bwu n GLY 52 Ca -0.15 0.41 -0.20 0.00 0.00 0.00 0.00 46.02 46.08 1bwu n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwu s LYS 54 N -4.32 -0.01 -0.19 0.00 -2.85 -0.48 -2.48 119.74 109.41 1bwu s LYS 54 Ca 0.51 0.15 -0.09 0.00 -1.00 0.00 0.00 55.97 55.54 1bwu s LYS 54 Cb -0.06 -0.22 -0.05 0.00 -2.06 0.00 0.00 37.83 35.45 1bwu s LYS 54 CO 0.31 -0.13 0.11 0.00 0.10 0.00 0.00 175.35 175.73 1bwu s ALA 55 N 0.87 3.60 0.00 0.59 0.00 -0.10 -0.07 121.76 126.65 1bwu s ALA 55 Ca -0.07 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1bwu s ALA 55 Cb -0.11 -2.09 -0.00 0.00 0.00 0.00 0.00 23.12 20.92 1bwu s ALA 55 CO -0.02 0.16 -0.02 0.14 0.00 0.00 0.00 175.76 176.02 1bwu s VAL 56 N 0.37 0.11 -0.33 0.00 -7.23 -0.59 0.28 120.40 113.00 1bwu s VAL 56 Ca 0.06 -0.13 -0.25 0.00 -1.81 0.00 0.00 61.98 59.85 1bwu s VAL 56 Cb -0.11 -0.12 0.01 0.00 0.56 0.00 0.00 36.38 36.72 1bwu s VAL 56 CO -0.01 -0.01 0.88 -0.22 -0.31 0.00 0.00 175.10 175.42 1bwu s LEU 57 N -0.16 4.04 0.66 1.32 2.96 -1.17 -2.32 118.68 124.01 1bwu s LEU 57 Ca -0.01 0.70 -0.11 0.00 -0.22 0.00 0.00 54.13 54.49 1bwu s LEU 57 Cb -0.01 -3.21 -0.02 0.00 0.50 0.00 0.00 46.19 43.45 1bwu s LEU 57 CO -0.00 -0.74 1.05 -1.10 -1.32 0.00 0.00 176.35 174.24 1bwu s GLN 58 N 3.23 3.28 0.47 1.98 -1.52 0.17 -3.77 119.66 123.50 1bwu s GLN 58 Ca 0.36 0.79 0.26 0.00 -1.95 0.00 0.00 55.36 54.82 1bwu s GLN 58 Cb -0.13 -2.04 1.07 0.00 -0.22 0.00 0.00 33.01 31.69 1bwu s GLN 58 CO 0.15 -0.81 1.89 1.03 -0.25 0.00 0.00 175.29 177.29 1bwu h SER 59 N -0.50 0.00 -0.15 5.90 0.87 -1.84 -2.63 113.55 115.20 1bwu h SER 59 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1bwu h SER 59 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1bwu h SER 59 CO 0.60 0.17 0.00 -0.90 -0.53 0.00 0.00 176.83 176.17 1bwu n ASP 60 N -3.36 1.12 0.00 6.23 5.68 -1.25 -2.67 116.55 122.30 1bwu n ASP 60 Ca -0.00 -1.74 0.00 0.00 -0.50 0.00 0.00 54.79 52.55 1bwu n ASP 60 Cb 0.38 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 1bwu n ASP 60 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bwu n GLY 61 N 0.96 2.06 3.75 6.12 0.00 -0.99 -0.47 105.19 116.61 1bwu n GLY 61 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1bwu n GLY 61 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bwu s ASN 62 N -1.69 7.47 -0.27 1.61 3.04 -1.15 -4.50 114.94 119.45 1bwu s ASN 62 Ca 0.00 2.02 -0.02 0.00 0.04 0.00 0.00 52.86 54.90 1bwu s ASN 62 Cb 0.00 -2.61 0.03 0.00 -1.54 0.00 0.00 41.25 37.13 1bwu s ASN 62 CO 0.00 -0.01 -0.03 0.12 -3.04 0.00 0.00 177.10 174.14 1bwu s PHE 63 N -0.83 3.13 0.12 0.43 5.36 -1.26 0.42 117.98 125.35 1bwu s PHE 63 Ca 0.44 -1.58 0.04 0.00 -0.96 0.00 0.00 56.93 54.88 1bwu s PHE 63 Cb -0.28 -2.09 -0.04 0.00 -0.34 0.00 0.00 43.02 40.27 1bwu s PHE 63 CO 0.34 -0.73 -0.11 0.14 -1.46 0.00 0.00 175.22 173.40 1bwu s VAL 64 N 1.32 1.12 -0.21 3.12 -7.23 -0.98 -0.94 120.40 116.61 1bwu s VAL 64 Ca -0.01 -1.85 -0.09 0.00 -1.81 0.00 0.00 61.98 58.22 1bwu s VAL 64 Cb -0.18 -1.61 -0.05 0.00 0.56 0.00 0.00 36.38 35.10 1bwu s VAL 64 CO -0.03 -0.62 0.11 -0.69 -0.31 0.00 0.00 175.10 173.57 1bwu s VAL 65 N -2.78 5.16 -0.01 1.32 1.01 -0.10 -1.55 120.40 123.45 1bwu s VAL 65 Ca 0.11 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.25 1bwu s VAL 65 Cb -0.01 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1bwu s VAL 65 CO 0.01 0.42 -0.15 -0.31 0.00 0.00 0.00 175.10 175.07 1bwu s TYR 66 N 0.57 2.66 0.82 5.22 2.02 0.90 -1.38 117.35 128.17 1bwu s TYR 66 Ca 0.06 -0.19 -0.12 0.00 -0.37 0.00 0.00 57.07 56.46 1bwu s TYR 66 Cb -0.12 -1.56 0.08 0.00 -0.40 0.00 0.00 41.96 39.96 1bwu s TYR 66 CO 0.00 0.23 1.12 0.34 -1.57 0.00 0.00 175.55 175.67 1bwu s ASP 67 N -1.08 4.30 -0.68 2.29 2.15 -1.00 -1.38 116.67 121.27 1bwu s ASP 67 Ca 0.13 1.14 -0.26 0.00 0.43 0.00 0.00 52.55 54.00 1bwu s ASP 67 Cb -0.11 -1.82 -0.07 0.00 -0.30 0.00 0.00 42.92 40.62 1bwu s ASP 67 CO 0.03 -2.07 2.19 0.00 -0.17 0.00 0.00 175.17 175.15 1bwu s ALA 68 N -3.25 1.52 -1.32 3.66 0.00 -1.25 -1.00 121.76 120.12 1bwu s ALA 68 Ca 0.61 -0.66 -0.05 0.00 0.00 0.00 0.00 51.96 51.87 1bwu s ALA 68 Cb -0.14 -4.44 0.01 0.00 0.00 0.00 0.00 23.12 18.55 1bwu s ALA 68 CO 0.53 -4.79 0.60 0.39 0.00 0.00 0.00 175.76 172.50 1bwu n GLU 69 N 8.97 -4.65 0.00 0.00 -0.58 -1.26 -4.97 120.64 118.15 1bwu n GLU 69 Ca 0.36 0.78 0.00 0.00 -0.42 0.00 0.00 57.16 57.88 1bwu n GLU 69 Cb 0.50 -5.40 0.00 0.00 -0.57 0.00 0.00 31.44 25.97 1bwu n GLU 69 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bwu n GLY 70 N -1.48 4.87 0.00 0.62 0.00 -0.17 -5.18 105.19 103.85 1bwu n GLY 70 Ca -0.08 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1bwu n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwu n ALA 71 N -3.00 0.00 -1.84 4.61 0.00 -1.26 -4.41 120.51 114.60 1bwu n ALA 71 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1bwu n ALA 71 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1bwu n ALA 71 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1bwu s SER 72 N 0.70 4.91 -0.04 0.00 0.01 -1.26 -2.38 113.70 115.64 1bwu s SER 72 Ca 0.00 0.57 -0.15 0.00 1.31 0.00 0.00 55.95 57.68 1bwu s SER 72 Cb 0.00 -2.52 -0.32 0.00 0.21 0.00 0.00 66.02 63.39 1bwu s SER 72 CO 0.00 -2.63 0.77 -0.07 0.41 0.00 0.00 173.24 171.73 1bwu h LEU 73 N 17.88 0.62 -7.81 2.44 4.07 -1.60 -3.48 115.31 127.44 1bwu h LEU 73 Ca -0.23 -0.92 -0.10 0.00 0.08 0.00 0.00 57.88 56.71 1bwu h LEU 73 Cb 1.19 -0.20 -0.16 0.00 1.08 0.00 0.00 40.66 42.57 1bwu h LEU 73 CO 1.19 1.68 -0.41 0.86 -1.08 0.00 0.00 178.44 180.68 1bwu s TRP 74 N -2.54 0.13 -0.24 1.13 -0.00 -1.22 -4.97 118.94 111.22 1bwu s TRP 74 Ca -0.14 -0.45 -0.16 0.00 -0.00 0.00 0.00 56.10 55.34 1bwu s TRP 74 Cb 0.04 -0.07 0.07 0.00 -0.00 0.00 0.00 33.47 33.51 1bwu s TRP 74 CO 0.86 -0.46 0.61 0.00 -0.00 0.00 0.00 176.95 177.96 1bwu s ALA 75 N -3.11 -1.61 0.19 5.86 0.00 -1.26 -0.92 121.76 120.90 1bwu s ALA 75 Ca -0.01 2.06 0.29 0.00 0.00 0.00 0.00 51.96 54.30 1bwu s ALA 75 Cb 0.02 -1.22 1.22 0.00 0.00 0.00 0.00 23.12 23.14 1bwu s ALA 75 CO -0.07 -0.33 1.94 0.66 0.00 0.00 0.00 175.76 177.96 1bwu h SER 76 N 6.54 0.00 -0.24 0.00 4.64 -1.43 -3.46 113.55 119.59 1bwu h SER 76 Ca -0.31 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.91 1bwu h SER 76 Cb 1.20 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.25 1bwu h SER 76 CO 0.18 0.12 -0.09 1.41 -0.87 0.00 0.00 176.83 177.57 1bwu n HIS 77 N -3.31 0.00 -1.02 4.77 8.25 -1.26 -4.90 115.22 117.75 1bwu n HIS 77 Ca -0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 1bwu n HIS 77 Cb 0.34 -1.47 -0.11 0.00 1.12 0.00 0.00 29.99 29.87 1bwu n HIS 77 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1bwu n SER 78 N -0.09 5.59 -4.64 0.41 3.41 -1.26 -4.89 113.62 112.15 1bwu n SER 78 Ca -0.05 -2.66 -0.43 0.00 -0.26 0.00 0.00 58.87 55.47 1bwu n SER 78 Cb 0.29 -1.32 -0.02 0.00 -0.26 0.00 0.00 64.21 62.90 1bwu n SER 78 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1bwu s VAL 79 N -0.03 4.55 0.00 -3.33 0.11 -1.26 -2.93 120.40 117.51 1bwu s VAL 79 Ca 0.53 1.77 0.00 0.00 -2.93 0.00 0.00 61.98 61.36 1bwu s VAL 79 Cb 0.28 -4.39 0.00 0.00 -1.53 0.00 0.00 36.38 30.75 1bwu s VAL 79 CO -0.05 -0.41 0.45 0.54 -3.33 0.00 0.00 175.10 172.30 1bwu n ARG 80 N 6.74 0.00 0.00 1.54 5.12 0.38 -4.97 116.66 125.47 1bwu n ARG 80 Ca 0.12 -0.53 0.00 0.00 -1.93 0.00 0.00 57.85 55.50 1bwu n ARG 80 Cb 0.47 -0.83 0.00 0.00 -1.16 0.00 0.00 32.46 30.94 1bwu n ARG 80 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bwu n GLY 81 N -0.08 0.95 3.73 -0.13 0.00 -0.75 -5.01 105.19 103.90 1bwu n GLY 81 Ca 0.00 -2.18 -0.40 0.00 0.00 0.00 0.00 46.02 43.44 1bwu n GLY 81 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bwu s ASN 82 N 0.00 7.23 0.00 1.61 -0.87 -1.26 -3.85 114.94 117.79 1bwu s ASN 82 Ca 0.00 1.47 0.00 0.00 -1.57 0.00 0.00 52.86 52.76 1bwu s ASN 82 Cb 0.00 -2.49 0.00 0.00 -0.02 0.00 0.00 41.25 38.74 1bwu s ASN 82 CO 0.00 -0.10 0.00 0.61 -2.57 0.00 0.00 177.10 175.04 1bwu n GLY 83 N 2.69 1.52 3.21 0.66 0.00 -1.09 -5.02 105.19 107.17 1bwu n GLY 83 Ca 0.01 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1bwu n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bwu s ASN 84 N 2.00 3.18 0.41 1.61 0.01 -1.26 -4.88 114.94 116.01 1bwu s ASN 84 Ca 0.00 -0.56 0.04 0.00 -0.71 0.00 0.00 52.86 51.63 1bwu s ASN 84 Cb 0.00 -1.44 -0.03 0.00 0.41 0.00 0.00 41.25 40.19 1bwu s ASN 84 CO 0.00 0.13 0.11 -0.31 -1.51 0.00 0.00 177.10 175.52 1bwu s TYR 85 N 0.54 1.81 -0.28 2.20 2.02 -1.26 -1.47 117.35 120.91 1bwu s TYR 85 Ca -0.13 -1.23 -0.24 0.00 -0.37 0.00 0.00 57.07 55.10 1bwu s TYR 85 Cb -0.17 -1.20 0.09 0.00 -0.40 0.00 0.00 41.96 40.28 1bwu s TYR 85 CO 0.04 -0.23 0.85 0.54 -1.57 0.00 0.00 175.55 175.18 1bwu s VAL 86 N -3.20 0.00 -0.09 0.71 0.11 -1.23 -0.59 120.40 116.11 1bwu s VAL 86 Ca 0.24 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.31 1bwu s VAL 86 Cb 0.03 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.86 1bwu s VAL 86 CO 0.14 0.00 -0.16 -0.22 -3.33 0.00 0.00 175.10 171.53 1bwu s LEU 87 N 0.46 2.60 0.00 2.54 2.96 -1.13 -1.70 118.68 124.42 1bwu s LEU 87 Ca 0.00 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.62 1bwu s LEU 87 Cb -0.05 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 1bwu s LEU 87 CO -0.04 0.24 -0.08 0.54 -1.32 0.00 0.00 176.35 175.68 1bwu s VAL 88 N -0.09 0.66 -0.61 1.68 0.11 -0.79 -1.43 120.40 119.92 1bwu s VAL 88 Ca -0.03 -0.49 -0.17 0.00 -2.93 0.00 0.00 61.98 58.36 1bwu s VAL 88 Cb -0.14 -0.58 0.13 0.00 -1.53 0.00 0.00 36.38 34.26 1bwu s VAL 88 CO 0.04 0.09 0.63 -0.22 -3.33 0.00 0.00 175.10 172.31 1bwu s LEU 89 N -0.45 5.92 0.82 2.54 0.20 -0.89 -2.14 118.68 124.69 1bwu s LEU 89 Ca 0.01 -1.77 -0.11 0.00 0.69 0.00 0.00 54.13 52.95 1bwu s LEU 89 Cb -0.04 -2.25 0.09 0.00 -0.43 0.00 0.00 46.19 43.55 1bwu s LEU 89 CO -0.00 -0.93 1.09 -1.10 -0.29 0.00 0.00 176.35 175.12 1bwu s GLN 90 N 1.88 1.85 0.12 1.98 -0.21 -1.14 -4.78 119.66 119.37 1bwu s GLN 90 Ca 0.09 0.77 0.22 0.00 0.02 0.00 0.00 55.36 56.45 1bwu s GLN 90 Cb -0.25 -1.88 0.87 0.00 1.00 0.00 0.00 33.01 32.75 1bwu s GLN 90 CO 0.02 -1.82 1.67 0.39 -2.12 0.00 0.00 175.29 173.44 1bwu n GLU 91 N -3.58 0.11 -0.42 2.91 1.02 -1.26 -1.32 120.64 118.09 1bwu n GLU 91 Ca 0.07 0.27 0.09 0.00 -0.02 0.00 0.00 57.16 57.56 1bwu n GLU 91 Cb 0.55 -1.68 0.28 0.00 -0.02 0.00 0.00 31.44 30.58 1bwu n GLU 91 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1bwu n ASP 92 N -1.87 3.68 0.00 1.62 5.75 -1.26 -4.93 116.55 119.53 1bwu n ASP 92 Ca 0.04 -2.21 0.00 0.00 -0.01 0.00 0.00 54.79 52.61 1bwu n ASP 92 Cb 0.26 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 1bwu n ASP 92 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bwu n GLY 93 N 1.20 1.99 3.65 6.12 0.00 -0.43 -4.99 105.19 112.74 1bwu n GLY 93 Ca 0.21 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1bwu n GLY 93 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bwu s ASN 94 N 0.09 6.38 -0.29 1.61 3.84 -1.26 -4.52 114.94 120.78 1bwu s ASN 94 Ca 0.00 2.50 -0.22 0.00 0.21 0.00 0.00 52.86 55.34 1bwu s ASN 94 Cb 0.00 -2.53 -0.00 0.00 -0.55 0.00 0.00 41.25 38.17 1bwu s ASN 94 CO 0.00 -1.14 0.74 -0.69 -2.79 0.00 0.00 177.10 173.22 1bwu s VAL 95 N 4.82 4.85 0.06 -5.21 1.01 -1.26 -2.87 120.40 121.81 1bwu s VAL 95 Ca 0.87 1.15 0.06 0.00 0.00 0.00 0.00 61.98 64.06 1bwu s VAL 95 Cb -0.40 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 1bwu s VAL 95 CO 0.39 -0.17 -0.17 -0.69 0.00 0.00 0.00 175.10 174.46 1bwu s VAL 96 N 2.81 1.33 -0.17 2.92 1.01 -0.91 -4.96 120.40 122.43 1bwu s VAL 96 Ca 0.30 -1.25 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 1bwu s VAL 96 Cb -0.15 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 1bwu s VAL 96 CO 0.11 -0.06 -0.03 -0.63 0.00 0.00 0.00 175.10 174.49 1bwu s ILE 97 N -1.05 3.82 -0.25 2.22 1.01 -1.26 -1.89 121.20 123.80 1bwu s ILE 97 Ca 0.02 -0.37 -0.07 0.00 0.00 0.00 0.00 60.65 60.23 1bwu s ILE 97 Cb -0.09 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.66 1bwu s ILE 97 CO 0.02 0.47 0.07 -0.31 0.00 0.00 0.00 174.94 175.19 1bwu s TYR 98 N 0.63 3.08 0.05 3.97 2.02 -0.69 -4.96 117.35 121.46 1bwu s TYR 98 Ca -0.02 -0.46 -0.30 0.00 -0.37 0.00 0.00 57.07 55.91 1bwu s TYR 98 Cb -0.14 -2.24 -0.08 0.00 -0.40 0.00 0.00 41.96 39.10 1bwu s TYR 98 CO 0.02 -0.38 1.62 -0.98 -1.57 0.00 0.00 175.55 174.26 1bwu s ARG 99 N 1.61 4.21 0.00 -0.62 1.70 -1.26 -3.56 118.95 121.03 1bwu s ARG 99 Ca 0.06 2.26 0.00 0.00 -0.47 0.00 0.00 55.73 57.59 1bwu s ARG 99 Cb -0.15 -3.63 0.00 0.00 -0.57 0.00 0.00 34.95 30.60 1bwu s ARG 99 CO 0.03 -0.72 0.00 0.43 -1.08 0.00 0.00 175.30 173.96 1bwu n SER 100 N 5.70 0.00 -4.58 -2.89 7.64 -0.54 -4.89 113.62 114.05 1bwu n SER 100 Ca 0.16 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.63 1bwu n SER 100 Cb 0.41 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.63 1bwu n SER 100 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1bwu n ASP 101 N 0.00 0.80 -0.00 6.43 5.68 -1.25 -4.96 116.55 123.26 1bwu n ASP 101 Ca 0.00 0.97 -0.00 0.00 -0.50 0.00 0.00 54.79 55.26 1bwu n ASP 101 Cb 0.00 -1.32 -0.00 0.00 -1.14 0.00 0.00 41.12 38.66 1bwu n ASP 101 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 1bwu n ILE 102 N -0.75 0.04 -3.69 2.12 5.41 -1.26 -5.06 119.36 116.16 1bwu n ILE 102 Ca 0.10 -0.02 -0.14 0.00 1.00 0.00 0.00 62.75 63.69 1bwu n ILE 102 Cb 0.41 -0.88 -0.08 0.00 -0.71 0.00 0.00 39.64 38.37 1bwu n ILE 102 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 176.55 177.41 1bwu s TRP 103 N -2.01 -0.44 -0.11 1.39 -0.00 -1.26 -5.17 118.94 111.33 1bwu s TRP 103 Ca -0.00 0.92 -0.15 0.00 -0.00 0.00 0.00 56.10 56.87 1bwu s TRP 103 Cb 0.00 0.20 0.04 0.00 -0.00 0.00 0.00 33.47 33.70 1bwu s TRP 103 CO 0.02 -0.36 0.39 -1.54 -0.00 0.00 0.00 176.95 175.46 1bwu s SER 104 N -0.53 -0.37 0.00 5.86 1.04 -1.26 -5.01 113.70 113.43 1bwu s SER 104 Ca -0.06 0.63 0.15 0.00 0.48 0.00 0.00 55.95 57.15 1bwu s SER 104 Cb -0.03 0.69 0.90 0.00 0.10 0.00 0.00 66.02 67.68 1bwu s SER 104 CO 0.04 -0.23 1.34 0.35 0.98 0.00 0.00 173.24 175.72 1bwu n THR 105 N 2.41 0.06 -2.25 2.02 -2.24 -1.26 -4.84 114.28 108.19 1bwu n THR 105 Ca -0.15 0.02 -0.14 0.00 -2.27 0.00 0.00 64.05 61.51 1bwu n THR 105 Cb 0.57 -0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 68.01 1bwu n THR 105 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1bwu n ASN 106 N -1.03 -4.13 -1.99 3.42 3.02 -1.26 -4.88 115.26 108.41 1bwu n ASN 106 Ca 0.11 0.19 -0.19 0.00 -0.03 0.00 0.00 54.58 54.66 1bwu n ASN 106 Cb 0.06 -3.55 0.03 0.00 -0.61 0.00 0.00 39.78 35.71 1bwu n ASN 106 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1bwu n THR 107 N -3.21 2.90 -1.13 3.41 -2.24 -1.26 -5.00 114.28 107.75 1bwu n THR 107 Ca -0.16 -1.88 -0.34 0.00 -2.27 0.00 0.00 64.05 59.39 1bwu n THR 107 Cb 0.59 -1.35 0.11 0.00 -2.10 0.00 0.00 70.33 67.59 1bwu n THR 107 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1bwu n TYR 108 N 0.29 0.46 -0.48 4.78 4.01 -1.26 -5.30 117.16 119.67 1bwu n TYR 108 Ca 0.34 0.37 0.00 0.00 -0.16 0.00 0.00 57.90 58.46 1bwu n TYR 108 Cb 0.58 -2.03 0.00 0.00 -0.31 0.00 0.00 39.34 37.58 1bwu n TYR 108 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27