#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 0.00 -4.10 6.15 6.94 -1.26 -1.42 115.26 121.56 1bwu n ASN 2 Ca 0.00 -0.22 -0.18 0.00 -0.02 0.00 0.00 54.58 54.17 1bwu n ASN 2 Cb 0.00 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.29 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 0.88 -0.13 1.53 1.10 -1.26 -1.65 121.20 121.66 1bwu s ILE 3 Ca 0.00 -0.96 -0.01 0.00 -0.51 0.00 0.00 60.65 59.17 1bwu s ILE 3 Cb 0.00 -0.83 0.03 0.00 0.15 0.00 0.00 42.46 41.81 1bwu s ILE 3 CO 0.00 -0.11 -0.05 -0.76 -2.11 0.00 0.00 174.94 171.91 1bwu s LEU 4 N -1.19 1.30 0.00 8.50 1.43 -0.42 -4.97 118.68 123.33 1bwu s LEU 4 Ca -0.02 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1bwu s LEU 4 Cb -0.08 -0.81 0.15 0.00 0.03 0.00 0.00 46.19 45.48 1bwu s LEU 4 CO 0.01 -0.16 1.04 0.54 0.23 0.00 0.00 176.35 178.01 1bwu n ARG 5 N 4.94 -0.23 -1.55 1.70 1.74 -1.26 -1.00 116.66 121.00 1bwu n ARG 5 Ca -0.11 -2.69 -0.54 0.00 -0.77 0.00 0.00 57.85 53.74 1bwu n ARG 5 Cb 0.49 -0.74 -0.07 0.00 -1.02 0.00 0.00 32.46 31.12 1bwu n ARG 5 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1bwu n ASN 6 N -2.99 2.22 -1.72 0.55 5.03 -1.13 -1.64 115.26 115.57 1bwu n ASN 6 Ca 0.17 0.73 -0.11 0.00 0.87 0.00 0.00 54.58 56.24 1bwu n ASN 6 Cb 0.60 -1.19 0.02 0.00 -1.02 0.00 0.00 39.78 38.19 1bwu n ASN 6 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1bwu n ASP 7 N 7.71 -3.90 -4.61 6.41 9.92 0.12 -5.00 116.55 127.20 1bwu n ASP 7 Ca 0.35 -0.17 -0.24 0.00 -0.53 0.00 0.00 54.79 54.20 1bwu n ASP 7 Cb 0.17 -2.71 -0.08 0.00 -0.64 0.00 0.00 41.12 37.86 1bwu n ASP 7 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1bwu s GLU 8 N -5.25 2.19 0.32 -1.24 2.02 -0.65 -4.91 118.70 111.17 1bwu s GLU 8 Ca 0.19 -1.40 -0.16 0.00 0.02 0.00 0.00 54.97 53.63 1bwu s GLU 8 Cb -0.08 -2.14 0.06 0.00 0.10 0.00 0.00 34.13 32.07 1bwu s GLU 8 CO 0.23 0.38 0.80 0.41 0.02 0.00 0.00 175.26 177.11 1bwu n GLY 9 N -0.60 0.94 3.55 -1.39 0.00 -1.26 -1.98 105.19 104.44 1bwu n GLY 9 Ca -0.08 -1.21 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 1bwu n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bwu s LEU 10 N 0.00 3.26 0.41 0.99 2.01 -0.18 -4.95 118.68 120.23 1bwu s LEU 10 Ca 0.17 -0.06 0.08 0.00 0.01 0.00 0.00 54.13 54.32 1bwu s LEU 10 Cb -0.04 -1.75 0.01 0.00 0.01 0.00 0.00 46.19 44.41 1bwu s LEU 10 CO 0.09 0.26 0.55 -0.31 1.01 0.00 0.00 176.35 177.95 1bwu s TYR 11 N -0.19 2.82 -0.88 0.29 1.51 -1.26 -1.05 117.35 118.59 1bwu s TYR 11 Ca 0.03 -0.39 -0.19 0.00 -1.01 0.00 0.00 57.07 55.51 1bwu s TYR 11 Cb -0.13 -2.34 -0.23 0.00 -0.11 0.00 0.00 41.96 39.16 1bwu s TYR 11 CO 0.02 -0.37 2.31 0.41 -1.11 0.00 0.00 175.55 176.81 1bwu n GLY 12 N -1.81 -0.30 0.00 0.71 0.00 -0.84 -0.37 105.19 102.57 1bwu n GLY 12 Ca 0.07 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 6.22 1.44 3.83 -0.02 0.00 0.42 -4.79 105.19 112.29 1bwu n GLY 13 Ca 0.56 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.27 1bwu n GLY 13 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1bwu s GLN 14 N 0.00 3.07 0.19 1.61 2.00 0.50 -4.80 119.66 122.23 1bwu s GLN 14 Ca 0.00 0.94 -0.23 0.00 -2.00 0.00 0.00 55.36 54.07 1bwu s GLN 14 Cb 0.00 -2.01 0.05 0.00 0.80 0.00 0.00 33.01 31.86 1bwu s GLN 14 CO 0.00 -1.00 0.70 -1.54 -0.50 0.00 0.00 175.29 172.96 1bwu s SER 15 N -3.78 -0.41 -0.01 6.67 1.04 -1.26 -2.03 113.70 113.93 1bwu s SER 15 Ca 0.58 -0.25 0.02 0.00 0.48 0.00 0.00 55.95 56.78 1bwu s SER 15 Cb -0.14 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 1bwu s SER 15 CO 0.53 -1.06 -0.04 -0.76 0.98 0.00 0.00 173.24 172.89 1bwu s LEU 16 N -2.80 3.33 0.03 2.42 1.43 -0.50 -4.69 118.68 117.89 1bwu s LEU 16 Ca 0.06 -0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1bwu s LEU 16 Cb -0.03 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 1bwu s LEU 16 CO -0.04 0.29 -0.02 -1.81 0.23 0.00 0.00 176.35 174.99 1bwu s ASP 17 N -1.43 0.28 -0.32 2.29 1.11 -0.51 -2.26 116.67 115.84 1bwu s ASP 17 Ca 0.18 -0.59 -0.06 0.00 0.18 0.00 0.00 52.55 52.25 1bwu s ASP 17 Cb -0.11 0.12 0.19 0.00 1.07 0.00 0.00 42.92 44.19 1bwu s ASP 17 CO 0.08 -0.36 0.95 0.54 1.18 0.00 0.00 175.17 177.55 1bwu s VAL 18 N -1.97 -0.41 0.01 -1.27 0.11 -1.25 -4.35 120.40 111.27 1bwu s VAL 18 Ca -0.11 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 1bwu s VAL 18 Cb -0.06 -0.21 0.00 0.00 -1.53 0.00 0.00 36.38 34.58 1bwu s VAL 18 CO -0.03 0.00 0.00 0.59 -3.33 0.00 0.00 175.10 172.33 1bwu n ASN 19 N 4.55 -4.44 -4.03 3.54 3.02 -1.26 -3.69 115.26 112.95 1bwu n ASN 19 Ca 0.08 0.04 -0.36 0.00 -0.03 0.00 0.00 54.58 54.31 1bwu n ASN 19 Cb 0.59 -0.12 -0.07 0.00 -0.61 0.00 0.00 39.78 39.57 1bwu n ASN 19 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1bwu n PRO 20 N -1.53 1.24 -3.80 3.52 -0.02 -1.26 -4.72 135.00 128.44 1bwu n PRO 20 Ca 0.00 -1.95 -0.13 0.00 -2.02 0.00 0.00 63.50 59.40 1bwu n PRO 20 Cb 0.02 -3.24 -0.11 0.00 -0.02 0.00 0.00 33.50 30.15 1bwu n PRO 20 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1bwu s TYR 21 N 8.44 -0.20 -0.27 6.00 2.02 -1.24 -3.64 117.35 128.46 1bwu s TYR 21 Ca 0.65 0.46 -0.05 0.00 -0.37 0.00 0.00 57.07 57.76 1bwu s TYR 21 Cb 0.08 0.07 0.14 0.00 -0.40 0.00 0.00 41.96 41.84 1bwu s TYR 21 CO 0.16 -0.21 0.53 -1.58 -1.57 0.00 0.00 175.55 172.89 1bwu s HIS 22 N -0.40 -1.20 -0.31 2.71 2.46 -0.58 -3.78 115.29 114.18 1bwu s HIS 22 Ca -0.05 1.70 -0.10 0.00 0.47 0.00 0.00 55.06 57.09 1bwu s HIS 22 Cb -0.03 0.48 -0.01 0.00 -0.13 0.00 0.00 32.58 32.89 1bwu s HIS 22 CO 0.01 -0.70 0.16 0.12 -2.47 0.00 0.00 174.74 171.86 1bwu s PHE 23 N 2.76 3.18 0.05 3.88 5.36 -0.96 -0.50 117.98 131.75 1bwu s PHE 23 Ca 0.06 -0.59 0.04 0.00 -0.96 0.00 0.00 56.93 55.49 1bwu s PHE 23 Cb -0.13 -2.36 -0.02 0.00 -0.34 0.00 0.00 43.02 40.16 1bwu s PHE 23 CO -0.18 -0.46 -0.12 -1.50 -1.46 0.00 0.00 175.22 171.50 1bwu s ILE 24 N 1.61 0.95 -0.58 3.12 2.07 -0.49 -1.41 121.20 126.48 1bwu s ILE 24 Ca 0.04 -1.12 -0.11 0.00 -1.41 0.00 0.00 60.65 58.06 1bwu s ILE 24 Cb -0.17 -0.92 0.15 0.00 0.13 0.00 0.00 42.46 41.65 1bwu s ILE 24 CO 0.06 -0.18 0.48 -0.32 -1.91 0.00 0.00 174.94 173.07 1bwu s MET 25 N -1.46 2.84 0.86 3.50 -2.45 -0.86 -2.07 119.30 119.66 1bwu s MET 25 Ca -0.03 -2.00 -0.13 0.00 -1.25 0.00 0.00 55.69 52.29 1bwu s MET 25 Cb -0.09 -4.09 0.11 0.00 1.25 0.00 0.00 34.83 32.01 1bwu s MET 25 CO 0.01 -1.24 1.18 -0.65 1.05 0.00 0.00 175.02 175.38 1bwu s GLN 26 N 0.99 1.55 0.00 4.11 -0.21 -1.22 0.16 119.66 125.03 1bwu s GLN 26 Ca 0.09 0.09 0.24 0.00 0.02 0.00 0.00 55.36 55.81 1bwu s GLN 26 Cb -0.23 -1.90 1.32 0.00 1.00 0.00 0.00 33.01 33.20 1bwu s GLN 26 CO -0.02 -1.88 1.81 0.39 -2.12 0.00 0.00 175.29 173.47 1bwu n GLU 27 N -3.51 0.53 0.00 2.91 4.71 -1.26 -1.85 120.64 122.17 1bwu n GLU 27 Ca 0.09 0.04 0.12 0.00 -0.01 0.00 0.00 57.16 57.39 1bwu n GLU 27 Cb 0.60 -1.50 0.30 0.00 -1.01 0.00 0.00 31.44 29.84 1bwu n GLU 27 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1bwu n ASP 28 N -1.16 0.75 -0.30 1.62 9.92 -1.25 -2.96 116.55 123.16 1bwu n ASP 28 Ca 0.14 -0.56 -0.04 0.00 -0.53 0.00 0.00 54.79 53.81 1bwu n ASP 28 Cb 0.14 0.21 -0.02 0.00 -0.64 0.00 0.00 41.12 40.81 1bwu n ASP 28 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bwu s ASN 30 N -2.63 5.27 -0.19 0.00 2.47 -1.26 -4.28 114.94 114.31 1bwu s ASN 30 Ca 0.00 -0.39 -0.29 0.00 0.42 0.00 0.00 52.86 52.60 1bwu s ASN 30 Cb 0.00 -1.94 -0.00 0.00 -1.45 0.00 0.00 41.25 37.86 1bwu s ASN 30 CO 0.00 -0.11 1.08 -0.22 -3.72 0.00 0.00 177.10 174.13 1bwu s LEU 31 N 1.60 4.15 0.09 3.21 0.20 -1.26 -3.42 118.68 123.25 1bwu s LEU 31 Ca 0.05 1.49 0.05 0.00 0.69 0.00 0.00 54.13 56.41 1bwu s LEU 31 Cb -0.16 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.02 1bwu s LEU 31 CO 0.04 -0.64 -0.14 -0.69 -0.29 0.00 0.00 176.35 174.64 1bwu s VAL 32 N 2.97 1.17 -0.23 1.68 1.01 -0.88 -1.21 120.40 124.91 1bwu s VAL 32 Ca 0.47 -1.49 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1bwu s VAL 32 Cb -0.17 -1.27 0.04 0.00 0.00 0.00 0.00 36.38 34.97 1bwu s VAL 32 CO 0.11 -0.33 -0.12 -0.22 0.00 0.00 0.00 175.10 174.54 1bwu s LEU 33 N -2.07 2.97 -0.15 3.92 2.96 0.05 -1.39 118.68 124.98 1bwu s LEU 33 Ca 0.03 -0.99 -0.03 0.00 -0.22 0.00 0.00 54.13 52.92 1bwu s LEU 33 Cb -0.07 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 1bwu s LEU 33 CO 0.02 -0.11 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.57 1bwu s TYR 34 N 1.24 2.97 -0.42 5.38 2.02 0.34 0.02 117.35 128.91 1bwu s TYR 34 Ca -0.02 -0.37 -0.16 0.00 -0.37 0.00 0.00 57.07 56.15 1bwu s TYR 34 Cb -0.17 -1.92 0.02 0.00 -0.40 0.00 0.00 41.96 39.49 1bwu s TYR 34 CO -0.07 -0.06 0.37 0.34 -1.57 0.00 0.00 175.55 174.55 1bwu s ASP 35 N 0.31 6.15 1.89 2.29 -1.08 0.48 -1.53 116.67 125.18 1bwu s ASP 35 Ca -0.05 -0.80 0.00 0.00 -0.52 0.00 0.00 52.55 51.18 1bwu s ASP 35 Cb -0.15 -2.19 0.00 0.00 -1.46 0.00 0.00 42.92 39.12 1bwu s ASP 35 CO 0.04 -0.52 0.00 1.41 0.52 0.00 0.00 175.17 176.62 1bwu n HIS 36 N 5.38 0.00 0.00 -5.34 8.25 -1.24 -1.49 115.22 120.78 1bwu n HIS 36 Ca -0.09 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.42 1bwu n HIS 36 Cb 0.47 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.46 1bwu n HIS 36 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1bwu n SER 37 N 7.62 0.30 -4.72 0.41 3.41 -1.26 -4.92 113.62 114.46 1bwu n SER 37 Ca 0.00 0.12 -0.42 0.00 -0.26 0.00 0.00 58.87 58.31 1bwu n SER 37 Cb 0.00 1.24 -0.03 0.00 -0.26 0.00 0.00 64.21 65.16 1bwu n SER 37 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1bwu s THR 38 N -3.21 2.77 0.65 6.66 2.01 -0.56 -4.98 115.64 118.98 1bwu s THR 38 Ca -0.06 0.56 -0.12 0.00 0.31 0.00 0.00 61.69 62.38 1bwu s THR 38 Cb 0.11 -3.36 -0.02 0.00 0.01 0.00 0.00 72.50 69.24 1bwu s THR 38 CO 0.86 0.04 1.04 -0.94 -0.69 0.00 0.00 174.62 174.94 1bwu s SER 39 N 1.11 5.80 0.00 3.53 1.04 -1.26 -0.39 113.70 123.53 1bwu s SER 39 Ca 0.68 1.57 0.00 0.00 0.48 0.00 0.00 55.95 58.68 1bwu s SER 39 Cb -0.42 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.21 1bwu s SER 39 CO 0.31 -1.16 0.00 0.52 0.98 0.00 0.00 173.24 173.90 1bwu n VAL 40 N -2.77 0.00 -4.15 5.02 0.31 0.10 -4.73 118.33 112.12 1bwu n VAL 40 Ca 0.07 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.29 1bwu n VAL 40 Cb 0.54 -0.30 -0.10 0.00 -0.91 0.00 0.00 33.84 33.06 1bwu n VAL 40 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 1bwu s TRP 41 N -1.47 0.85 -0.04 3.52 -0.00 -1.13 -4.99 118.94 115.69 1bwu s TRP 41 Ca 0.00 -0.82 -0.29 0.00 -0.00 0.00 0.00 56.10 54.99 1bwu s TRP 41 Cb 0.00 -0.50 0.11 0.00 -0.00 0.00 0.00 33.47 33.08 1bwu s TRP 41 CO 0.00 -0.13 0.90 0.00 -0.00 0.00 0.00 176.95 177.72 1bwu s ALA 42 N -3.12 -1.84 -0.37 5.86 0.00 -1.26 -0.77 121.76 120.26 1bwu s ALA 42 Ca 0.07 1.14 0.22 0.00 0.00 0.00 0.00 51.96 53.40 1bwu s ALA 42 Cb 0.02 0.18 0.23 0.00 0.00 0.00 0.00 23.12 23.55 1bwu s ALA 42 CO -0.04 -0.60 1.45 0.66 0.00 0.00 0.00 175.76 177.24 1bwu h SER 43 N 2.16 0.00 -5.56 0.00 4.64 -1.52 -3.48 113.55 109.78 1bwu h SER 43 Ca -0.22 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.73 1bwu h SER 43 Cb 1.22 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.44 1bwu h SER 43 CO 0.31 0.04 -0.64 0.59 -0.87 0.00 0.00 176.83 176.26 1bwu n ASN 44 N -3.00 -6.15 -0.29 4.97 5.03 -1.26 -4.91 115.26 109.65 1bwu n ASN 44 Ca 0.03 -0.51 0.09 0.00 0.87 0.00 0.00 54.58 55.06 1bwu n ASN 44 Cb 0.55 -4.78 0.17 0.00 -1.02 0.00 0.00 39.78 34.70 1bwu n ASN 44 CO 0.00 0.00 0.00 1.07 -1.83 0.00 0.00 177.26 176.50 1bwu n THR 45 N -4.87 2.02 -2.71 3.41 5.66 -1.26 -5.05 114.28 111.47 1bwu n THR 45 Ca 0.01 -2.46 -0.40 0.00 -3.05 0.00 0.00 64.05 58.15 1bwu n THR 45 Cb 0.56 -0.24 -0.05 0.00 -1.55 0.00 0.00 70.33 69.04 1bwu n THR 45 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1bwu s GLY 46 N -2.86 3.09 -0.08 1.09 0.00 -1.26 -4.49 107.32 102.81 1bwu s GLY 46 Ca 0.35 0.65 -0.03 0.00 0.00 0.00 0.00 44.72 45.69 1bwu s GLY 46 CO 0.01 1.28 0.15 -0.42 0.00 0.00 0.00 173.10 174.13 1bwu s ILE 47 N -0.97 -0.21 0.23 0.90 1.01 0.79 -4.96 121.20 118.00 1bwu s ILE 47 Ca 0.43 0.32 -0.32 0.00 0.00 0.00 0.00 60.65 61.08 1bwu s ILE 47 Cb -0.26 -0.28 -0.13 0.00 0.01 0.00 0.00 42.46 41.80 1bwu s ILE 47 CO 0.33 0.13 1.59 0.18 0.00 0.00 0.00 174.94 177.17 1bwu n LEU 48 N 5.06 3.77 0.00 2.97 4.32 -1.26 -0.80 117.00 131.06 1bwu n LEU 48 Ca -0.10 1.11 0.00 0.00 -0.02 0.00 0.00 56.01 57.00 1bwu n LEU 48 Cb 0.50 -1.52 0.00 0.00 -1.62 0.00 0.00 43.42 40.78 1bwu n LEU 48 CO 0.08 -0.05 0.00 0.61 -1.22 0.00 0.00 177.39 176.81 1bwu n GLY 49 N 2.91 1.62 3.34 -0.72 0.00 -1.26 -4.95 105.19 106.13 1bwu n GLY 49 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1bwu n GLY 49 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1bwu n LYS 50 N -2.00 3.32 -3.33 1.61 3.00 0.02 -4.95 118.16 115.83 1bwu n LYS 50 Ca 0.00 -3.53 -0.21 0.00 -0.00 0.00 0.00 58.31 54.56 1bwu n LYS 50 Cb 0.00 -3.17 0.03 0.00 0.00 0.00 0.00 35.03 31.88 1bwu n LYS 50 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1bwu s LYS 51 N 2.27 2.37 0.00 1.64 2.20 -1.15 -2.61 119.74 124.46 1bwu s LYS 51 Ca 0.46 -1.69 0.00 0.00 -0.36 0.00 0.00 55.97 54.37 1bwu s LYS 51 Cb 0.03 -2.48 0.00 0.00 -1.51 0.00 0.00 37.83 33.87 1bwu s LYS 51 CO 0.02 -0.66 0.00 0.41 -0.36 0.00 0.00 175.35 174.76 1bwu n GLY 52 N -1.99 0.46 3.87 5.54 0.00 -1.26 -4.50 105.19 107.31 1bwu n GLY 52 Ca 0.09 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 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 ARG 54 N -3.23 0.50 -0.20 0.00 3.00 -1.05 -1.99 118.95 115.98 1bwu s ARG 54 Ca 0.49 -0.01 -0.09 0.00 0.00 0.00 0.00 55.73 56.12 1bwu s ARG 54 Cb -0.11 -0.60 -0.05 0.00 0.00 0.00 0.00 34.95 34.20 1bwu s ARG 54 CO 0.24 -0.09 0.11 0.00 0.00 0.00 0.00 175.30 175.56 1bwu s ALA 55 N 0.87 3.58 -0.04 2.13 0.00 -0.22 -0.57 121.76 127.51 1bwu s ALA 55 Ca -0.10 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1bwu s ALA 55 Cb -0.13 -2.10 0.02 0.00 0.00 0.00 0.00 23.12 20.91 1bwu s ALA 55 CO -0.01 0.13 -0.02 0.54 0.00 0.00 0.00 175.76 176.40 1bwu s VAL 56 N 0.44 0.39 -0.08 0.00 0.11 0.35 -1.01 120.40 120.59 1bwu s VAL 56 Ca 0.06 -0.01 -0.28 0.00 -2.93 0.00 0.00 61.98 58.82 1bwu s VAL 56 Cb -0.12 -0.46 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 1bwu s VAL 56 CO -0.01 0.20 0.93 -0.22 -3.33 0.00 0.00 175.10 172.67 1bwu s LEU 57 N 1.13 4.28 0.38 2.54 0.20 -0.84 -2.03 118.68 124.33 1bwu s LEU 57 Ca -0.08 1.46 0.08 0.00 0.69 0.00 0.00 54.13 56.27 1bwu s LEU 57 Cb -0.14 -3.44 -0.05 0.00 -0.43 0.00 0.00 46.19 42.14 1bwu s LEU 57 CO -0.01 -0.34 0.13 -1.10 -0.29 0.00 0.00 176.35 174.74 1bwu s GLN 58 N 1.59 2.23 0.39 1.98 -0.21 -0.22 0.15 119.66 125.57 1bwu s GLN 58 Ca 0.46 -1.74 0.09 0.00 0.02 0.00 0.00 55.36 54.19 1bwu s GLN 58 Cb -0.19 -2.02 0.86 0.00 1.00 0.00 0.00 33.01 32.67 1bwu s GLN 58 CO 0.20 0.00 1.98 0.77 -2.12 0.00 0.00 175.29 176.12 1bwu h SER 59 N 1.55 0.53 0.00 5.90 0.02 -1.88 0.94 113.55 120.60 1bwu h SER 59 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1bwu h SER 59 Cb 1.25 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1bwu h SER 59 CO 0.67 0.34 0.00 -0.90 -1.14 0.00 0.00 176.83 175.80 1bwu n ASP 60 N -4.48 0.00 -0.47 3.07 5.68 -1.26 -1.86 116.55 117.23 1bwu n ASP 60 Ca 0.09 -0.90 -0.00 0.00 -0.50 0.00 0.00 54.79 53.49 1bwu n ASP 60 Cb 0.26 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 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 0.72 0.85 3.24 6.12 0.00 0.32 -0.46 105.19 115.98 1bwu n GLY 61 Ca 0.20 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.00 3.05 -0.70 1.61 2.47 -1.23 -3.29 114.94 113.85 1bwu s ASN 62 Ca 0.01 -0.53 -0.16 0.00 0.42 0.00 0.00 52.86 52.59 1bwu s ASN 62 Cb -0.00 -1.13 0.16 0.00 -1.45 0.00 0.00 41.25 38.82 1bwu s ASN 62 CO 0.01 0.20 0.70 0.12 -3.72 0.00 0.00 177.10 174.41 1bwu s PHE 63 N 0.11 3.37 -0.13 0.43 5.36 -1.26 -1.06 117.98 124.80 1bwu s PHE 63 Ca -0.12 -1.49 -0.06 0.00 -0.96 0.00 0.00 56.93 54.31 1bwu s PHE 63 Cb -0.16 -3.90 -0.04 0.00 -0.34 0.00 0.00 43.02 38.58 1bwu s PHE 63 CO 0.06 -1.11 0.07 0.08 -1.46 0.00 0.00 175.22 172.86 1bwu s VAL 64 N 1.41 4.91 -0.25 3.12 1.01 -0.86 -2.08 120.40 127.66 1bwu s VAL 64 Ca 0.13 -0.01 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 1bwu s VAL 64 Cb -0.19 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 1bwu s VAL 64 CO -0.02 0.56 0.15 -0.69 0.00 0.00 0.00 175.10 175.10 1bwu s VAL 65 N -0.53 5.15 0.09 2.92 1.01 -0.19 -0.50 120.40 128.35 1bwu s VAL 65 Ca 0.11 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.26 1bwu s VAL 65 Cb -0.12 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1bwu s VAL 65 CO 0.02 0.33 -0.06 -0.31 0.00 0.00 0.00 175.10 175.08 1bwu s TYR 66 N 1.25 2.85 0.91 5.22 2.02 0.26 -1.98 117.35 127.89 1bwu s TYR 66 Ca 0.07 -0.10 -0.11 0.00 -0.37 0.00 0.00 57.07 56.56 1bwu s TYR 66 Cb -0.14 -1.48 0.14 0.00 -0.40 0.00 0.00 41.96 40.07 1bwu s TYR 66 CO 0.06 0.45 1.09 0.34 -1.57 0.00 0.00 175.55 175.92 1bwu s ASP 67 N -2.22 3.28 0.51 2.29 -1.08 0.66 -2.52 116.67 117.60 1bwu s ASP 67 Ca 0.23 1.56 0.24 0.00 -0.52 0.00 0.00 52.55 54.06 1bwu s ASP 67 Cb -0.11 -2.23 1.34 0.00 -1.46 0.00 0.00 42.92 40.45 1bwu s ASP 67 CO 0.15 -2.77 1.98 0.00 0.52 0.00 0.00 175.17 175.06 1bwu h ALA 68 N -1.64 2.44 -2.35 3.66 0.00 -1.79 -3.12 119.26 116.45 1bwu h ALA 68 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1bwu h ALA 68 Cb 1.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1bwu h ALA 68 CO 0.53 -0.60 0.00 0.39 0.00 0.00 0.00 179.25 179.57 1bwu n GLU 69 N -4.39 0.00 0.00 0.00 -0.58 -1.26 -4.98 120.64 109.42 1bwu n GLU 69 Ca 0.10 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 1bwu n GLU 69 Cb 0.59 -0.52 0.00 0.00 -0.57 0.00 0.00 31.44 30.94 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 2.37 0.00 3.44 0.62 0.00 -1.18 -5.17 105.19 105.27 1bwu n GLY 70 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1bwu n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bwu s ARG 71 N 0.00 1.57 0.16 1.61 1.81 -1.26 -4.84 118.95 118.00 1bwu s ARG 71 Ca 0.00 -1.47 -0.31 0.00 -1.72 0.00 0.00 55.73 52.23 1bwu s ARG 71 Cb 0.00 -1.89 -0.09 0.00 -0.45 0.00 0.00 34.95 32.52 1bwu s ARG 71 CO 0.00 0.41 1.42 -1.12 -0.68 0.00 0.00 175.30 175.33 1bwu s SER 72 N -2.61 6.77 -0.09 0.23 0.01 -1.26 -0.24 113.70 116.51 1bwu s SER 72 Ca 0.20 2.44 -0.02 0.00 1.31 0.00 0.00 55.95 59.89 1bwu s SER 72 Cb -0.08 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.50 1bwu s SER 72 CO 0.10 -0.67 -0.09 0.18 0.41 0.00 0.00 173.24 173.17 1bwu n LEU 73 N 3.51 1.97 -3.79 2.44 4.77 -0.84 -4.90 117.00 120.15 1bwu n LEU 73 Ca 0.10 0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.99 1bwu n LEU 73 Cb 0.41 -0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 41.14 1bwu n LEU 73 CO 0.59 0.44 -0.03 0.86 -1.33 0.00 0.00 177.39 177.93 1bwu s TRP 74 N -2.17 -0.04 -0.24 -1.77 -0.00 -1.23 -5.03 118.94 108.47 1bwu s TRP 74 Ca -0.12 -0.12 -0.18 0.00 -0.00 0.00 0.00 56.10 55.68 1bwu s TRP 74 Cb 0.04 0.04 0.07 0.00 -0.00 0.00 0.00 33.47 33.61 1bwu s TRP 74 CO 0.18 -0.46 0.61 0.00 -0.00 0.00 0.00 176.95 177.27 1bwu s ALA 75 N -2.48 -1.56 0.36 5.86 0.00 -1.26 -1.02 121.76 121.67 1bwu s ALA 75 Ca -0.06 1.90 0.22 0.00 0.00 0.00 0.00 51.96 54.03 1bwu s ALA 75 Cb -0.01 -1.12 1.15 0.00 0.00 0.00 0.00 23.12 23.14 1bwu s ALA 75 CO -0.03 -0.31 1.96 0.66 0.00 0.00 0.00 175.76 178.04 1bwu h SER 76 N 5.96 0.00 -5.15 0.00 4.64 -1.80 -3.47 113.55 113.73 1bwu h SER 76 Ca -0.30 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.69 1bwu h SER 76 Cb 1.19 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 63.40 1bwu h SER 76 CO 0.15 0.20 -0.59 1.41 -0.87 0.00 0.00 176.83 177.13 1bwu n HIS 77 N -3.75 -2.40 -0.87 4.77 8.25 -1.26 -4.92 115.22 115.04 1bwu n HIS 77 Ca -0.02 0.86 -0.18 0.00 -0.26 0.00 0.00 57.72 58.13 1bwu n HIS 77 Cb 0.31 -4.50 0.17 0.00 1.12 0.00 0.00 29.99 27.10 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 -2.44 3.78 -4.60 0.41 3.41 -1.25 -4.94 113.62 108.00 1bwu n SER 78 Ca -0.03 -3.31 -0.43 0.00 -0.26 0.00 0.00 58.87 54.84 1bwu n SER 78 Cb 0.56 -0.78 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 1bwu n SER 78 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1bwu s VAL 79 N -2.77 3.20 -0.28 -3.33 -7.23 -1.21 -4.39 120.40 104.39 1bwu s VAL 79 Ca 0.48 0.20 0.16 0.00 -1.81 0.00 0.00 61.98 61.02 1bwu s VAL 79 Cb 0.40 -3.27 0.49 0.00 0.56 0.00 0.00 36.38 34.56 1bwu s VAL 79 CO 0.10 -0.17 1.13 0.54 -0.31 0.00 0.00 175.10 176.39 1bwu n ARG 80 N 8.63 2.47 0.00 4.82 1.74 0.40 -5.00 116.66 129.72 1bwu n ARG 80 Ca 0.27 -3.78 0.00 0.00 -0.77 0.00 0.00 57.85 53.57 1bwu n ARG 80 Cb 0.46 -1.87 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 1bwu n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bwu n GLY 81 N -0.61 -0.62 3.74 -0.13 0.00 -1.24 -4.94 105.19 101.39 1bwu n GLY 81 Ca 0.22 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 1bwu n GLY 81 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bwu s ASN 82 N -2.29 6.77 0.00 1.61 3.84 -1.26 -4.30 114.94 119.31 1bwu s ASN 82 Ca 0.00 2.52 0.00 0.00 0.21 0.00 0.00 52.86 55.59 1bwu s ASN 82 Cb 0.00 -2.61 0.00 0.00 -0.55 0.00 0.00 41.25 38.09 1bwu s ASN 82 CO 0.00 -0.63 0.00 0.61 -2.79 0.00 0.00 177.10 174.29 1bwu n GLY 83 N 2.44 1.64 3.33 1.21 0.00 -0.78 -5.00 105.19 108.03 1bwu n GLY 83 Ca 0.07 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 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 3.15 0.31 1.61 0.01 -1.26 -4.76 114.94 116.00 1bwu s ASN 84 Ca 0.00 -0.49 0.02 0.00 -0.71 0.00 0.00 52.86 51.68 1bwu s ASN 84 Cb 0.00 -0.36 -0.02 0.00 0.41 0.00 0.00 41.25 41.28 1bwu s ASN 84 CO 0.00 0.30 0.34 -0.31 -1.51 0.00 0.00 177.10 175.93 1bwu s TYR 85 N -0.68 1.35 -0.00 2.20 1.51 -1.26 -1.22 117.35 119.26 1bwu s TYR 85 Ca 0.11 -1.45 -0.24 0.00 -1.01 0.00 0.00 57.07 54.48 1bwu s TYR 85 Cb -0.10 -0.41 0.05 0.00 -0.11 0.00 0.00 41.96 41.39 1bwu s TYR 85 CO 0.00 -0.95 0.53 0.14 -1.11 0.00 0.00 175.55 174.16 1bwu s VAL 86 N -3.42 0.03 -0.14 0.71 -7.23 -1.25 -2.85 120.40 106.24 1bwu s VAL 86 Ca 0.36 -0.21 0.00 0.00 -1.81 0.00 0.00 61.98 60.32 1bwu s VAL 86 Cb 0.02 -0.91 0.02 0.00 0.56 0.00 0.00 36.38 36.07 1bwu s VAL 86 CO 0.22 -0.12 -0.14 -0.22 -0.31 0.00 0.00 175.10 174.53 1bwu s LEU 87 N -1.56 1.66 0.07 1.32 2.96 -0.17 -1.86 118.68 121.10 1bwu s LEU 87 Ca -0.09 -0.47 0.10 0.00 -0.22 0.00 0.00 54.13 53.44 1bwu s LEU 87 Cb -0.01 -1.16 -0.03 0.00 0.50 0.00 0.00 46.19 45.49 1bwu s LEU 87 CO 0.04 -0.05 -0.26 0.54 -1.32 0.00 0.00 176.35 175.29 1bwu s VAL 88 N 1.45 2.20 -0.68 1.68 0.11 -0.76 -1.30 120.40 123.10 1bwu s VAL 88 Ca 0.04 -1.49 -0.11 0.00 -2.93 0.00 0.00 61.98 57.49 1bwu s VAL 88 Cb -0.13 -1.89 0.18 0.00 -1.53 0.00 0.00 36.38 33.00 1bwu s VAL 88 CO -0.10 0.28 0.58 -0.22 -3.33 0.00 0.00 175.10 172.32 1bwu s LEU 89 N -1.49 6.13 0.58 2.54 2.96 -0.66 -2.61 118.68 126.15 1bwu s LEU 89 Ca 0.13 -2.49 -0.18 0.00 -0.22 0.00 0.00 54.13 51.37 1bwu s LEU 89 Cb -0.10 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 1bwu s LEU 89 CO 0.03 -0.58 1.11 -1.10 -1.32 0.00 0.00 176.35 174.50 1bwu s GLN 90 N 0.49 3.18 0.00 1.98 -0.21 -0.78 -4.82 119.66 119.50 1bwu s GLN 90 Ca 0.14 1.48 0.02 0.00 0.02 0.00 0.00 55.36 57.02 1bwu s GLN 90 Cb -0.18 -1.99 0.12 0.00 1.00 0.00 0.00 33.01 31.95 1bwu s GLN 90 CO -0.05 -0.96 0.81 0.39 -2.12 0.00 0.00 175.29 173.36 1bwu n GLU 91 N -1.74 0.04 -0.28 2.91 4.71 -1.26 -0.77 120.64 124.25 1bwu n GLU 91 Ca 0.11 0.20 0.12 0.00 -0.01 0.00 0.00 57.16 57.57 1bwu n GLU 91 Cb 0.52 -1.50 0.27 0.00 -1.01 0.00 0.00 31.44 29.71 1bwu n GLU 91 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1bwu n ASP 92 N -1.21 3.69 -1.88 1.62 5.75 -1.26 -4.97 116.55 118.29 1bwu n ASP 92 Ca 0.01 -1.99 -0.08 0.00 -0.01 0.00 0.00 54.79 52.72 1bwu n ASP 92 Cb 0.01 -0.37 0.03 0.00 -1.03 0.00 0.00 41.12 39.77 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 1.53 0.22 3.07 6.12 0.00 0.05 -5.06 105.19 111.11 1bwu n GLY 93 Ca 0.22 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.37 0.92 -0.23 1.61 2.47 -1.24 -5.00 114.94 110.10 1bwu s ASN 94 Ca 0.10 -0.57 -0.01 0.00 0.42 0.00 0.00 52.86 52.81 1bwu s ASN 94 Cb -0.05 0.03 0.02 0.00 -1.45 0.00 0.00 41.25 39.81 1bwu s ASN 94 CO 0.29 -0.21 -0.10 -0.69 -3.72 0.00 0.00 177.10 172.68 1bwu s VAL 95 N -1.45 2.64 0.15 -5.21 1.01 -1.26 -1.86 120.40 114.41 1bwu s VAL 95 Ca -0.09 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 60.95 1bwu s VAL 95 Cb -0.09 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 1bwu s VAL 95 CO 0.00 0.29 -0.17 -0.69 0.00 0.00 0.00 175.10 174.53 1bwu s VAL 96 N 1.31 1.63 -0.06 2.92 1.01 -1.07 -4.98 120.40 121.15 1bwu s VAL 96 Ca 0.01 -1.83 0.04 0.00 0.00 0.00 0.00 61.98 60.20 1bwu s VAL 96 Cb -0.16 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1bwu s VAL 96 CO -0.07 -0.35 -0.17 -0.63 0.00 0.00 0.00 175.10 173.88 1bwu s ILE 97 N -2.08 2.81 -0.18 2.22 1.01 -1.26 -1.84 121.20 121.89 1bwu s ILE 97 Ca 0.13 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 59.96 1bwu s ILE 97 Cb -0.05 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.32 1bwu s ILE 97 CO 0.05 0.58 -0.11 -0.31 0.00 0.00 0.00 174.94 175.15 1bwu s TYR 98 N -0.49 2.86 -0.17 3.97 2.02 -0.78 -4.99 117.35 119.78 1bwu s TYR 98 Ca 0.06 -0.95 -0.29 0.00 -0.37 0.00 0.00 57.07 55.52 1bwu s TYR 98 Cb -0.12 -1.96 -0.05 0.00 -0.40 0.00 0.00 41.96 39.43 1bwu s TYR 98 CO 0.01 -0.46 1.96 0.50 -1.57 0.00 0.00 175.55 175.99 1bwu s ARG 99 N 0.98 3.56 0.00 -0.62 3.52 -1.26 -3.96 118.95 121.18 1bwu s ARG 99 Ca -0.01 2.00 0.00 0.00 -0.13 0.00 0.00 55.73 57.59 1bwu s ARG 99 Cb -0.15 -4.22 0.00 0.00 -1.56 0.00 0.00 34.95 29.03 1bwu s ARG 99 CO -0.01 -1.60 0.00 0.43 -0.81 0.00 0.00 175.30 173.31 1bwu n SER 100 N 9.71 0.00 -4.92 -2.12 7.64 -0.35 -4.87 113.62 118.70 1bwu n SER 100 Ca 0.24 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.81 1bwu n SER 100 Cb 0.44 -0.94 -0.04 0.00 -1.01 0.00 0.00 64.21 62.66 1bwu n SER 100 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1bwu s ASP 101 N -1.88 6.38 0.00 6.43 -4.77 -1.25 -4.87 116.67 116.72 1bwu s ASP 101 Ca 0.00 0.33 0.00 0.00 -3.30 0.00 0.00 52.55 49.58 1bwu s ASP 101 Cb 0.00 -1.98 0.00 0.00 -1.09 0.00 0.00 42.92 39.85 1bwu s ASP 101 CO 0.00 0.12 0.00 2.30 0.70 0.00 0.00 175.17 178.29 1bwu n ILE 102 N 0.10 0.00 -3.64 2.11 -5.35 -1.26 -5.02 119.36 106.30 1bwu n ILE 102 Ca -0.05 -0.24 -0.07 0.00 -0.27 0.00 0.00 62.75 62.12 1bwu n ILE 102 Cb 0.52 0.81 -0.07 0.00 -1.74 0.00 0.00 39.64 39.16 1bwu n ILE 102 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 1bwu s TRP 103 N -0.83 -0.73 -0.03 4.28 -0.00 -1.26 -5.18 118.94 115.19 1bwu s TRP 103 Ca 0.00 1.58 -0.10 0.00 -0.00 0.00 0.00 56.10 57.58 1bwu s TRP 103 Cb 0.00 0.42 0.01 0.00 -0.00 0.00 0.00 33.47 33.90 1bwu s TRP 103 CO 0.00 -0.36 0.22 -1.54 -0.00 0.00 0.00 176.95 175.27 1bwu s SER 104 N 0.98 -0.12 -0.22 5.86 1.04 -1.26 -5.08 113.70 114.90 1bwu s SER 104 Ca -0.05 0.11 -0.03 0.00 0.48 0.00 0.00 55.95 56.46 1bwu s SER 104 Cb -0.05 0.33 -0.20 0.00 0.10 0.00 0.00 66.02 66.21 1bwu s SER 104 CO -0.11 -0.29 -0.04 0.35 0.98 0.00 0.00 173.24 174.13 1bwu n THR 105 N 1.94 1.59 -0.59 2.02 -2.24 -1.26 -5.30 114.28 110.43 1bwu n THR 105 Ca -0.19 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 1bwu n THR 105 Cb 0.57 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 1bwu n THR 105 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09