#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xb8 s SER 4 N -2.91 -0.42 -0.07 0.00 1.04 -1.26 -1.85 113.70 108.22 1xb8 s SER 4 Ca 0.56 -0.09 -0.08 0.00 0.48 0.00 0.00 55.95 56.82 1xb8 s SER 4 Cb 0.45 0.51 0.02 0.00 0.10 0.00 0.00 66.02 67.09 1xb8 s SER 4 CO -0.00 -0.85 0.21 0.54 0.98 0.00 0.00 173.24 174.12 1xb8 s VAL 5 N -3.45 0.01 -0.19 5.02 0.11 -0.33 -4.95 120.40 116.62 1xb8 s VAL 5 Ca 0.05 -0.05 -0.08 0.00 -2.93 0.00 0.00 61.98 58.97 1xb8 s VAL 5 Cb -0.01 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 1xb8 s VAL 5 CO -0.08 -0.03 0.07 -1.81 -3.33 0.00 0.00 175.10 169.92 1xb8 s ASP 6 N -0.01 5.68 -0.02 3.54 -0.00 -1.26 -0.88 116.67 123.72 1xb8 s ASP 6 Ca -0.01 0.08 0.03 0.00 -0.00 0.00 0.00 52.55 52.66 1xb8 s ASP 6 Cb -0.02 -1.98 -0.01 0.00 -0.00 0.00 0.00 42.92 40.92 1xb8 s ASP 6 CO 0.00 0.16 -0.12 -0.63 -0.00 0.00 0.00 175.17 174.59 1xb8 s ILE 7 N 0.44 0.95 -0.07 0.77 1.01 -0.18 -4.95 121.20 119.16 1xb8 s ILE 7 Ca 0.04 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.20 1xb8 s ILE 7 Cb -0.12 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 1xb8 s ILE 7 CO 0.00 0.28 -0.08 -1.10 0.00 0.00 0.00 174.94 174.04 1xb8 s GLN 8 N -0.13 2.78 -0.14 2.79 -0.21 -1.26 -1.50 119.66 121.99 1xb8 s GLN 8 Ca 0.02 -0.57 0.02 0.00 0.02 0.00 0.00 55.36 54.84 1xb8 s GLN 8 Cb -0.06 -2.58 0.00 0.00 1.00 0.00 0.00 33.01 31.37 1xb8 s GLN 8 CO -0.00 0.62 -0.19 0.20 -2.12 0.00 0.00 175.29 173.80 1xb8 s GLY 9 N -0.70 1.40 0.21 3.09 0.00 -0.54 -2.03 107.32 108.75 1xb8 s GLY 9 Ca 0.11 -1.07 0.03 0.00 0.00 0.00 0.00 44.72 43.79 1xb8 s GLY 9 CO 0.02 -0.03 0.24 1.16 0.00 0.00 0.00 173.10 174.49 1xb8 n ASN 10 N 4.03 1.08 0.00 1.64 0.23 -0.61 -3.79 115.26 117.83 1xb8 n ASN 10 Ca -0.20 -1.61 0.12 0.00 -0.53 0.00 0.00 54.58 52.37 1xb8 n ASN 10 Cb 0.52 -0.11 0.59 0.00 -2.08 0.00 0.00 39.78 38.70 1xb8 n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1xb8 n ASP 11 N -2.47 0.00 -2.19 0.53 10.43 -1.26 -3.50 116.55 118.09 1xb8 n ASP 11 Ca 0.04 0.24 -0.22 0.00 2.57 0.00 0.00 54.79 57.42 1xb8 n ASP 11 Cb 0.22 -0.41 0.19 0.00 1.84 0.00 0.00 41.12 42.97 1xb8 n ASP 11 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xb8 n GLN 12 N -1.41 2.42 -3.83 -1.24 3.00 -1.26 -4.94 117.38 110.11 1xb8 n GLN 12 Ca 0.09 -3.02 -0.29 0.00 -0.01 0.00 0.00 57.00 53.77 1xb8 n GLN 12 Cb 0.26 -2.18 0.01 0.00 0.00 0.00 0.00 30.24 28.33 1xb8 n GLN 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1xb8 n MET 13 N -1.04 -2.40 -4.05 -1.09 2.81 -1.23 -5.00 117.12 105.12 1xb8 n MET 13 Ca 0.58 0.42 -0.16 0.00 -1.81 0.00 0.00 57.70 56.72 1xb8 n MET 13 Cb 1.64 -4.30 -0.15 0.00 -0.71 0.00 0.00 33.22 29.69 1xb8 n MET 13 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1xb8 s GLN 14 N -6.33 0.39 0.31 0.03 2.00 -1.26 -4.36 119.66 110.45 1xb8 s GLN 14 Ca 0.22 -0.07 -0.12 0.00 -2.00 0.00 0.00 55.36 53.39 1xb8 s GLN 14 Cb -0.08 -0.45 -0.08 0.00 0.80 0.00 0.00 33.01 33.21 1xb8 s GLN 14 CO 0.88 -0.01 0.67 -0.06 -0.50 0.00 0.00 175.29 176.27 1xb8 s PHE 15 N 0.41 3.42 -1.34 1.67 2.99 -1.26 -1.58 117.98 122.29 1xb8 s PHE 15 Ca -0.04 1.03 0.12 0.00 0.00 0.00 0.00 56.93 58.03 1xb8 s PHE 15 Cb -0.07 -2.40 0.45 0.00 0.00 0.00 0.00 43.02 41.00 1xb8 s PHE 15 CO -0.01 0.11 1.31 0.27 -0.00 0.00 0.00 175.22 176.90 1xb8 n ASN 16 N -0.55 3.13 -3.94 1.36 6.94 -0.86 -4.79 115.26 116.53 1xb8 n ASN 16 Ca 0.02 -2.26 -0.08 0.00 -0.02 0.00 0.00 54.58 52.24 1xb8 n ASN 16 Cb 0.53 -0.45 -0.09 0.00 -2.36 0.00 0.00 39.78 37.42 1xb8 n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1xb8 s THR 17 N -1.70 0.16 -0.26 5.53 -1.32 -1.26 -4.97 115.64 111.82 1xb8 s THR 17 Ca 0.32 -1.35 0.04 0.00 -1.21 0.00 0.00 61.69 59.49 1xb8 s THR 17 Cb 0.20 -1.30 -0.03 0.00 -1.51 0.00 0.00 72.50 69.86 1xb8 s THR 17 CO 0.16 -0.75 0.26 0.59 -2.21 0.00 0.00 174.62 172.67 1xb8 n ASN 18 N 0.17 0.39 -3.52 8.08 3.02 -1.26 -4.83 115.26 117.31 1xb8 n ASN 18 Ca -0.16 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.70 1xb8 n ASN 18 Cb 0.61 0.84 -0.03 0.00 -0.61 0.00 0.00 39.78 40.59 1xb8 n ASN 18 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xb8 s ALA 19 N -1.24 -2.15 -0.12 5.41 0.00 -1.26 -1.71 121.76 120.71 1xb8 s ALA 19 Ca 0.02 2.21 -0.02 0.00 0.00 0.00 0.00 51.96 54.18 1xb8 s ALA 19 Cb 0.03 -1.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 1xb8 s ALA 19 CO 0.15 -1.03 -0.05 0.42 0.00 0.00 0.00 175.76 175.25 1xb8 s ILE 20 N 2.87 3.77 -0.19 0.00 1.01 0.15 -4.96 121.20 123.85 1xb8 s ILE 20 Ca 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 60.65 60.17 1xb8 s ILE 20 Cb -0.12 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 1xb8 s ILE 20 CO -0.19 0.54 0.04 -0.89 0.00 0.00 0.00 174.94 174.43 1xb8 s THR 21 N -0.08 4.45 -0.24 2.92 2.01 -1.26 -1.18 115.64 122.25 1xb8 s THR 21 Ca 0.01 -0.15 -0.09 0.00 0.31 0.00 0.00 61.69 61.77 1xb8 s THR 21 Cb -0.13 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1xb8 s THR 21 CO 0.03 0.43 0.13 -0.69 -0.69 0.00 0.00 174.62 173.83 1xb8 s VAL 22 N 0.72 4.99 0.17 3.82 1.01 -0.15 -4.96 120.40 126.01 1xb8 s VAL 22 Ca 0.02 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 1xb8 s VAL 22 Cb -0.14 -3.33 -0.08 0.00 0.00 0.00 0.00 36.38 32.84 1xb8 s VAL 22 CO 0.02 0.34 1.13 -0.62 0.00 0.00 0.00 175.10 175.96 1xb8 s ASP 23 N 1.27 7.22 0.55 3.32 2.15 -1.26 -1.27 116.67 128.65 1xb8 s ASP 23 Ca 0.06 2.12 0.34 0.00 0.43 0.00 0.00 52.55 55.50 1xb8 s ASP 23 Cb -0.14 -2.60 1.49 0.00 -0.30 0.00 0.00 42.92 41.36 1xb8 s ASP 23 CO 0.05 -0.27 1.82 0.50 -0.17 0.00 0.00 175.17 177.11 1xb8 h LYS 24 N 5.20 0.00 0.00 4.34 3.64 -1.57 -0.45 116.57 127.73 1xb8 h LYS 24 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1xb8 h LYS 24 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1xb8 h LYS 24 CO 0.73 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 178.57 1xb8 h SER 25 N 0.00 0.00 -3.17 4.20 4.64 -1.90 -3.44 113.55 113.87 1xb8 h SER 25 Ca 0.46 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.24 1xb8 h SER 25 Cb 1.97 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.05 1xb8 h SER 25 CO -0.00 0.00 0.59 0.00 -0.87 0.00 0.00 176.83 176.54 1xb8 h LYS 27 N 7.01 0.42 -6.19 0.00 1.79 -1.88 -3.43 116.57 114.29 1xb8 h LYS 27 Ca -0.39 -0.71 -0.57 0.00 -2.18 0.00 0.00 60.65 56.80 1xb8 h LYS 27 Cb 1.20 0.27 -0.10 0.00 -1.58 0.00 0.00 32.23 32.01 1xb8 h LYS 27 CO 0.83 1.34 -0.66 -0.65 -1.08 0.00 0.00 179.45 179.23 1xb8 s GLN 28 N -2.57 2.19 -0.01 3.15 1.11 -1.26 -0.94 119.66 121.32 1xb8 s GLN 28 Ca -0.15 -1.50 0.02 0.00 0.01 0.00 0.00 55.36 53.74 1xb8 s GLN 28 Cb 0.05 -2.09 -0.00 0.00 -1.01 0.00 0.00 33.01 29.96 1xb8 s GLN 28 CO 0.87 0.34 -0.07 0.12 0.01 0.00 0.00 175.29 176.56 1xb8 s PHE 29 N -2.37 0.65 -0.01 0.91 2.19 0.14 -4.83 117.98 114.67 1xb8 s PHE 29 Ca 0.32 -0.13 0.06 0.00 0.33 0.00 0.00 56.93 57.51 1xb8 s PHE 29 Cb -0.06 -0.45 -0.02 0.00 -1.31 0.00 0.00 43.02 41.19 1xb8 s PHE 29 CO 0.19 -0.04 -0.20 -0.08 1.83 0.00 0.00 175.22 176.92 1xb8 s THR 30 N 0.01 1.56 -0.20 0.12 -1.32 -0.77 -1.09 115.64 113.94 1xb8 s THR 30 Ca 0.00 -0.88 -0.04 0.00 -1.21 0.00 0.00 61.69 59.56 1xb8 s THR 30 Cb -0.05 -1.31 -0.02 0.00 -1.51 0.00 0.00 72.50 69.62 1xb8 s THR 30 CO -0.00 0.41 -0.03 -0.69 -2.21 0.00 0.00 174.62 172.10 1xb8 s VAL 31 N -0.50 3.64 -0.45 5.08 1.01 -0.27 -1.19 120.40 127.72 1xb8 s VAL 31 Ca 0.08 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 1xb8 s VAL 31 Cb -0.08 -2.64 0.08 0.00 0.00 0.00 0.00 36.38 33.74 1xb8 s VAL 31 CO -0.00 0.43 0.33 0.20 0.00 0.00 0.00 175.10 176.06 1xb8 s ASN 32 N 1.15 5.90 -0.13 3.32 0.02 -0.06 -1.63 114.94 123.51 1xb8 s ASN 32 Ca 0.02 -1.43 -0.09 0.00 -1.02 0.00 0.00 52.86 50.33 1xb8 s ASN 32 Cb -0.15 -2.09 -0.05 0.00 0.02 0.00 0.00 41.25 38.99 1xb8 s ASN 32 CO 0.00 -0.60 0.19 -0.22 0.02 0.00 0.00 177.10 176.48 1xb8 s LEU 33 N 1.53 4.34 0.21 0.60 2.96 0.34 -1.02 118.68 127.65 1xb8 s LEU 33 Ca 0.04 0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 54.41 1xb8 s LEU 33 Cb -0.24 -2.17 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 1xb8 s LEU 33 CO 0.04 0.30 0.11 -0.94 -1.32 0.00 0.00 176.35 174.55 1xb8 s SER 34 N -0.49 0.52 -0.40 3.68 1.04 -0.56 -0.69 113.70 116.80 1xb8 s SER 34 Ca 0.14 -1.37 0.02 0.00 0.48 0.00 0.00 55.95 55.23 1xb8 s SER 34 Cb -0.12 0.30 0.16 0.00 0.10 0.00 0.00 66.02 66.45 1xb8 s SER 34 CO 0.03 -0.79 0.29 -2.28 0.98 0.00 0.00 173.24 171.48 1xb8 s HIS 35 N -4.01 1.08 1.31 5.02 2.46 -1.16 -1.46 115.29 118.53 1xb8 s HIS 35 Ca 0.37 -2.10 -0.19 0.00 0.47 0.00 0.00 55.06 53.61 1xb8 s HIS 35 Cb 0.07 -1.03 0.33 0.00 -0.13 0.00 0.00 32.58 31.82 1xb8 s HIS 35 CO 0.12 -0.82 0.99 -1.25 -2.47 0.00 0.00 174.74 171.31 1xb8 s PRO 36 N 0.41 -2.07 0.91 2.88 0.04 -1.25 -1.29 135.00 134.64 1xb8 s PRO 36 Ca 0.26 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1xb8 s PRO 36 Cb -0.08 -1.46 0.00 0.00 0.04 0.00 0.00 34.50 32.99 1xb8 s PRO 36 CO -0.11 -4.35 0.00 0.41 0.04 0.00 0.00 177.00 173.00 1xb8 n GLY 37 N 0.81 -1.77 0.00 0.56 0.00 -1.26 -4.29 105.19 99.23 1xb8 n GLY 37 Ca 0.10 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1xb8 n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xb8 n ASN 38 N 0.22 1.13 -4.82 1.61 3.02 -1.26 -4.48 115.26 110.67 1xb8 n ASN 38 Ca 0.00 -0.33 -0.37 0.00 -0.03 0.00 0.00 54.58 53.85 1xb8 n ASN 38 Cb 0.00 0.89 -0.07 0.00 -0.61 0.00 0.00 39.78 39.99 1xb8 n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xb8 s LEU 39 N -2.01 4.34 0.97 3.41 1.43 -1.26 -4.81 118.68 120.75 1xb8 s LEU 39 Ca 0.00 0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 53.46 1xb8 s LEU 39 Cb 0.00 -2.17 0.17 0.00 0.03 0.00 0.00 46.19 44.22 1xb8 s LEU 39 CO 0.00 0.31 1.10 -2.16 0.23 0.00 0.00 176.35 175.83 1xb8 s PRO 40 N -0.53 0.70 0.33 1.29 0.04 -1.26 -1.58 135.00 133.98 1xb8 s PRO 40 Ca 0.15 0.56 0.11 0.00 0.04 0.00 0.00 61.00 61.85 1xb8 s PRO 40 Cb -0.12 -1.76 0.58 0.00 0.04 0.00 0.00 34.50 33.23 1xb8 s PRO 40 CO 0.04 -2.56 1.75 1.57 0.04 0.00 0.00 177.00 177.84 1xb8 h LYS 41 N -1.77 0.06 0.00 4.56 2.10 -1.84 -1.86 116.57 117.82 1xb8 h LYS 41 Ca -0.53 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.09 1xb8 h LYS 41 Cb 1.32 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1xb8 h LYS 41 CO 0.57 0.48 -0.00 -2.95 -2.00 0.00 0.00 179.45 175.55 1xb8 h ASN 42 N 0.05 0.00 0.00 7.07 -1.07 -1.93 -0.80 115.58 118.90 1xb8 h ASN 42 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 56.30 56.21 1xb8 h ASN 42 Cb 0.78 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.00 1xb8 h ASN 42 CO 0.06 0.00 -1.83 0.52 0.07 0.00 0.00 177.43 176.25 1xb8 n VAL 43 N -3.10 0.60 -2.70 6.14 0.31 -0.98 -4.80 118.33 113.81 1xb8 n VAL 43 Ca -0.01 -0.49 -0.06 0.00 -0.01 0.00 0.00 64.34 63.78 1xb8 n VAL 43 Cb 0.22 -0.37 0.09 0.00 -0.91 0.00 0.00 33.84 32.88 1xb8 n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1xb8 n MET 44 N -2.33 1.28 -2.38 5.55 0.00 -0.74 -5.03 117.12 113.48 1xb8 n MET 44 Ca -0.15 -2.20 -0.36 0.00 -0.00 0.00 0.00 57.70 54.99 1xb8 n MET 44 Cb 0.75 -0.38 -0.02 0.00 0.00 0.00 0.00 33.22 33.56 1xb8 n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1xb8 s GLY 45 N -1.91 2.71 -0.02 -5.12 0.00 -0.31 -4.71 107.32 97.96 1xb8 s GLY 45 Ca 0.21 0.81 0.03 0.00 0.00 0.00 0.00 44.72 45.77 1xb8 s GLY 45 CO -0.06 1.23 -0.10 0.30 0.00 0.00 0.00 173.10 174.46 1xb8 s HIS 46 N -1.67 0.99 0.33 1.90 3.76 -0.00 -4.67 115.29 115.93 1xb8 s HIS 46 Ca 0.64 -0.24 0.05 0.00 -0.15 0.00 0.00 55.06 55.36 1xb8 s HIS 46 Cb -0.24 -0.69 -0.07 0.00 1.11 0.00 0.00 32.58 32.69 1xb8 s HIS 46 CO 0.30 -0.09 0.02 0.54 -0.85 0.00 0.00 174.74 174.66 1xb8 s ASN 47 N 0.11 2.75 -0.20 1.40 2.20 -1.26 0.59 114.94 120.52 1xb8 s ASN 47 Ca -0.02 -1.33 0.01 0.00 -0.94 0.00 0.00 52.86 50.58 1xb8 s ASN 47 Cb -0.08 -0.16 0.04 0.00 -2.00 0.00 0.00 41.25 39.05 1xb8 s ASN 47 CO 0.00 -0.52 -0.11 0.86 -2.94 0.00 0.00 177.10 174.40 1xb8 s TRP 48 N -3.12 2.42 -0.02 1.54 -0.00 -1.26 -3.86 118.94 114.63 1xb8 s TRP 48 Ca 0.35 -1.58 0.05 0.00 -0.00 0.00 0.00 56.10 54.91 1xb8 s TRP 48 Cb 0.08 -1.64 -0.01 0.00 -0.00 0.00 0.00 33.47 31.90 1xb8 s TRP 48 CO 0.15 -0.74 -0.16 0.54 -0.00 0.00 0.00 176.95 176.74 1xb8 s VAL 49 N 1.40 1.26 -0.12 5.86 0.11 0.06 -1.22 120.40 127.74 1xb8 s VAL 49 Ca -0.01 -0.66 0.02 0.00 -2.93 0.00 0.00 61.98 58.40 1xb8 s VAL 49 Cb -0.16 -1.06 -0.00 0.00 -1.53 0.00 0.00 36.38 33.62 1xb8 s VAL 49 CO -0.08 0.36 -0.18 -0.22 -3.33 0.00 0.00 175.10 171.65 1xb8 s LEU 50 N -0.22 2.39 0.35 2.54 2.96 -0.48 -0.82 118.68 125.40 1xb8 s LEU 50 Ca 0.03 -0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 53.43 1xb8 s LEU 50 Cb -0.08 -1.51 0.01 0.00 0.50 0.00 0.00 46.19 45.11 1xb8 s LEU 50 CO 0.00 0.14 0.52 -0.94 -1.32 0.00 0.00 176.35 174.76 1xb8 s SER 51 N 0.46 0.81 0.71 3.68 1.04 -0.64 -0.95 113.70 118.81 1xb8 s SER 51 Ca -0.13 -1.44 -0.13 0.00 0.48 0.00 0.00 55.95 54.72 1xb8 s SER 51 Cb -0.17 0.69 0.03 0.00 0.10 0.00 0.00 66.02 66.67 1xb8 s SER 51 CO 0.05 -1.36 1.12 0.42 0.98 0.00 0.00 173.24 174.45 1xb8 s THR 52 N -2.93 3.12 0.28 2.02 -4.23 -1.26 -0.53 115.64 112.11 1xb8 s THR 52 Ca 0.28 0.47 -0.03 0.00 -1.18 0.00 0.00 61.69 61.23 1xb8 s THR 52 Cb -0.01 -2.96 0.24 0.00 1.34 0.00 0.00 72.50 71.11 1xb8 s THR 52 CO 0.19 -0.37 1.93 0.00 -0.54 0.00 0.00 174.62 175.83 1xb8 h ALA 53 N -0.42 1.34 -0.30 3.99 0.00 -1.88 -1.94 119.26 120.05 1xb8 h ALA 53 Ca -0.46 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1xb8 h ALA 53 Cb 1.25 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1xb8 h ALA 53 CO 0.52 0.58 0.01 0.00 0.00 0.00 0.00 179.25 180.36 1xb8 h ALA 54 N 1.42 1.46 0.00 0.00 0.00 -1.95 -2.94 119.26 117.25 1xb8 h ALA 54 Ca 0.30 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xb8 h ALA 54 Cb -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1xb8 h ALA 54 CO -0.06 0.39 -0.36 -0.44 0.00 0.00 0.00 179.25 178.78 1xb8 h ASP 55 N 0.44 0.00 -0.23 0.00 3.32 -1.74 -3.40 116.42 114.81 1xb8 h ASP 55 Ca 0.10 -0.10 0.06 0.00 0.02 0.00 0.00 57.03 57.10 1xb8 h ASP 55 Cb 0.28 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.76 1xb8 h ASP 55 CO 0.01 0.05 -0.29 -0.03 -1.72 0.00 0.00 179.24 177.26 1xb8 h MET 56 N 0.00 -0.30 -0.52 3.56 1.85 -1.25 -0.21 114.93 118.06 1xb8 h MET 56 Ca 0.00 0.02 0.01 0.00 -0.61 0.00 0.00 59.70 59.12 1xb8 h MET 56 Cb 0.77 0.07 -0.03 0.00 0.43 0.00 0.00 31.60 32.84 1xb8 h MET 56 CO 0.00 -0.20 0.34 0.37 -0.40 0.00 0.00 176.91 177.02 1xb8 h GLN 57 N -0.31 0.68 -0.52 0.39 5.75 -1.80 0.51 115.11 119.82 1xb8 h GLN 57 Ca 0.13 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.49 1xb8 h GLN 57 Cb 0.51 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 1xb8 h GLN 57 CO -0.41 0.45 -0.05 0.78 -2.65 0.00 0.00 178.83 176.94 1xb8 h GLY 58 N 0.70 0.99 0.88 2.39 0.00 -1.69 0.83 103.07 107.17 1xb8 h GLY 58 Ca 0.20 -0.74 0.02 0.00 0.00 0.00 0.00 47.33 46.81 1xb8 h GLY 58 CO -0.05 0.68 0.22 -2.08 0.00 0.00 0.00 176.54 175.31 1xb8 h VAL 59 N 0.84 1.02 -0.11 4.60 2.07 -0.63 -0.62 116.25 123.42 1xb8 h VAL 59 Ca 0.15 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1xb8 h VAL 59 Cb 0.57 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1xb8 h VAL 59 CO 0.03 0.08 0.06 0.58 0.02 0.00 0.00 177.57 178.34 1xb8 h VAL 60 N 0.45 1.10 -0.66 2.57 2.07 -0.35 -1.50 116.25 119.92 1xb8 h VAL 60 Ca 0.16 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1xb8 h VAL 60 Cb 0.02 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1xb8 h VAL 60 CO -0.08 0.09 0.35 0.74 0.02 0.00 0.00 177.57 178.68 1xb8 h THR 61 N 0.07 1.21 -0.56 2.57 2.02 -0.72 -1.54 112.91 115.97 1xb8 h THR 61 Ca 0.04 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 1xb8 h THR 61 Cb 0.09 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 1xb8 h THR 61 CO -0.01 0.24 0.27 0.00 0.37 0.00 0.00 175.52 176.38 1xb8 h GLY 63 N 0.75 1.43 1.00 0.00 0.00 -0.80 -1.42 103.07 104.04 1xb8 h GLY 63 Ca 0.19 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1xb8 h GLY 63 CO -0.02 0.28 0.35 1.98 0.00 0.00 0.00 176.54 179.13 1xb8 h MET 64 N 1.05 0.97 -0.12 4.80 -1.53 -0.56 -0.93 114.93 118.61 1xb8 h MET 64 Ca 0.42 -0.13 -0.03 0.00 -3.44 0.00 0.00 59.70 56.53 1xb8 h MET 64 Cb 0.27 -0.18 -0.01 0.00 -0.55 0.00 0.00 31.60 31.12 1xb8 h MET 64 CO -0.18 0.75 -0.05 0.00 0.14 0.00 0.00 176.91 177.57 1xb8 h ALA 65 N 1.17 1.70 0.08 0.39 0.00 -0.69 -3.21 119.26 118.70 1xb8 h ALA 65 Ca 0.24 -0.12 -0.26 0.00 0.00 0.00 0.00 54.91 54.76 1xb8 h ALA 65 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1xb8 h ALA 65 CO -0.03 0.23 -1.27 0.77 0.00 0.00 0.00 179.25 178.95 1xb8 h SER 66 N 0.17 0.28 -4.29 0.00 0.02 -0.45 -3.50 113.55 105.77 1xb8 h SER 66 Ca 0.04 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1xb8 h SER 66 Cb 0.21 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1xb8 h SER 66 CO 0.01 1.26 0.00 0.61 -1.14 0.00 0.00 176.83 177.57 1xb8 n GLY 67 N 1.51 -2.71 0.35 -3.77 0.00 -0.44 -4.11 105.19 96.04 1xb8 n GLY 67 Ca -0.08 -1.69 -0.01 0.00 0.00 0.00 0.00 46.02 44.23 1xb8 n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xb8 h LEU 68 N 0.00 0.98 -1.29 0.99 5.85 -1.91 -0.82 115.31 119.11 1xb8 h LEU 68 Ca 0.00 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1xb8 h LEU 68 Cb 0.00 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.78 1xb8 h LEU 68 CO 0.00 0.76 -0.06 0.44 -0.34 0.00 0.00 178.44 179.23 1xb8 h ASP 69 N 1.13 0.00 -0.65 1.25 3.45 -2.00 -0.33 116.42 119.27 1xb8 h ASP 69 Ca 0.29 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.75 1xb8 h ASP 69 Cb -0.04 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.73 1xb8 h ASP 69 CO -0.05 0.06 0.00 0.29 -1.57 0.00 0.00 179.24 177.97 1xb8 n LYS 70 N -3.18 3.60 -2.69 3.56 4.76 -1.03 -4.94 118.16 118.24 1xb8 n LYS 70 Ca 0.01 -2.79 -0.19 0.00 -2.87 0.00 0.00 58.31 52.46 1xb8 n LYS 70 Cb 0.35 -1.86 0.02 0.00 -1.84 0.00 0.00 35.03 31.69 1xb8 n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1xb8 n ASP 71 N 1.16 -5.43 -4.00 4.39 8.00 -0.14 -2.80 116.55 117.73 1xb8 n ASP 71 Ca 0.25 -0.16 -0.32 0.00 0.71 0.00 0.00 54.79 55.28 1xb8 n ASP 71 Cb 0.86 -4.35 0.01 0.00 -0.02 0.00 0.00 41.12 37.61 1xb8 n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1xb8 n TYR 72 N -4.22 -2.14 -4.16 1.24 4.01 -0.34 -4.73 117.16 106.81 1xb8 n TYR 72 Ca -0.14 0.88 -0.16 0.00 -0.16 0.00 0.00 57.90 58.32 1xb8 n TYR 72 Cb 0.63 -3.70 -0.14 0.00 -0.31 0.00 0.00 39.34 35.83 1xb8 n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1xb8 s LEU 73 N -7.28 2.08 0.01 7.72 1.02 -1.12 -4.10 118.68 117.02 1xb8 s LEU 73 Ca 0.68 -0.24 -0.30 0.00 0.02 0.00 0.00 54.13 54.29 1xb8 s LEU 73 Cb -0.35 -0.27 -0.05 0.00 0.02 0.00 0.00 46.19 45.54 1xb8 s LEU 73 CO 0.86 -0.00 1.20 0.00 0.02 0.00 0.00 176.35 178.43 1xb8 n PRO 75 N 4.49 1.80 -1.38 0.00 -0.02 -1.26 -2.19 135.00 136.45 1xb8 n PRO 75 Ca 0.10 0.65 -0.13 0.00 -2.02 0.00 0.00 63.50 62.09 1xb8 n PRO 75 Cb 0.46 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.54 1xb8 n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xb8 n ASP 76 N 0.10 -4.68 -4.61 2.55 8.00 -1.26 -4.92 116.55 111.73 1xb8 n ASP 76 Ca 0.07 0.32 -0.43 0.00 0.71 0.00 0.00 54.79 55.47 1xb8 n ASP 76 Cb 0.40 -3.32 -0.03 0.00 -0.02 0.00 0.00 41.12 38.15 1xb8 n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xb8 s ASP 77 N -2.81 5.99 0.12 -2.24 -1.08 -0.93 -4.84 116.67 110.89 1xb8 s ASP 77 Ca 0.00 1.59 0.17 0.00 -0.52 0.00 0.00 52.55 53.80 1xb8 s ASP 77 Cb 0.00 -2.53 0.74 0.00 -1.46 0.00 0.00 42.92 39.68 1xb8 s ASP 77 CO 0.00 -1.58 1.53 -1.54 0.52 0.00 0.00 175.17 174.10 1xb8 n SER 78 N 9.82 0.29 0.00 -0.34 3.41 -1.26 -2.17 113.62 123.37 1xb8 n SER 78 Ca 0.23 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.54 1xb8 n SER 78 Cb 0.46 -0.64 0.36 0.00 -0.26 0.00 0.00 64.21 64.13 1xb8 n SER 78 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xb8 n ARG 79 N -1.83 0.00 -3.12 4.33 1.74 -1.26 -4.73 116.66 111.80 1xb8 n ARG 79 Ca 0.02 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.67 1xb8 n ARG 79 Cb 0.17 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.04 1xb8 n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xb8 s VAL 80 N -3.00 4.83 0.15 1.55 1.01 -0.92 -4.45 120.40 119.57 1xb8 s VAL 80 Ca 0.12 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.05 1xb8 s VAL 80 Cb 0.18 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1xb8 s VAL 80 CO 0.65 -0.62 1.49 0.40 0.00 0.00 0.00 175.10 177.02 1xb8 h ILE 81 N 5.87 1.28 -2.22 2.22 2.04 -1.33 -3.47 117.51 121.90 1xb8 h ILE 81 Ca -0.26 -1.58 -0.02 0.00 1.00 0.00 0.00 64.86 64.00 1xb8 h ILE 81 Cb 1.10 1.42 -0.17 0.00 -0.74 0.00 0.00 36.82 38.43 1xb8 h ILE 81 CO 0.90 0.52 0.26 0.00 0.00 0.00 0.00 178.15 179.83 1xb8 s ALA 82 N -4.35 -1.75 -0.20 1.87 0.00 -1.24 -5.01 121.76 111.08 1xb8 s ALA 82 Ca -0.10 1.12 -0.27 0.00 0.00 0.00 0.00 51.96 52.70 1xb8 s ALA 82 Cb 0.11 0.17 0.08 0.00 0.00 0.00 0.00 23.12 23.49 1xb8 s ALA 82 CO 0.88 -0.49 0.77 -3.38 0.00 0.00 0.00 175.76 173.54 1xb8 s HIS 83 N -1.96 -0.68 0.82 0.00 -3.43 -1.26 -1.39 115.29 107.39 1xb8 s HIS 83 Ca -0.06 1.50 -0.11 0.00 -0.80 0.00 0.00 55.06 55.59 1xb8 s HIS 83 Cb -0.00 0.34 0.11 0.00 -1.43 0.00 0.00 32.58 31.60 1xb8 s HIS 83 CO 0.02 -0.42 1.16 0.95 -2.00 0.00 0.00 174.74 174.44 1xb8 s THR 84 N -0.21 2.09 0.80 -5.38 -4.23 -0.36 -4.81 115.64 103.54 1xb8 s THR 84 Ca -0.03 -0.13 -0.12 0.00 -1.18 0.00 0.00 61.69 60.23 1xb8 s THR 84 Cb -0.03 -2.96 0.07 0.00 1.34 0.00 0.00 72.50 70.92 1xb8 s THR 84 CO 0.03 0.00 1.10 -1.59 -0.54 0.00 0.00 174.62 173.62 1xb8 s LYS 85 N -5.54 2.06 -0.07 3.99 -2.85 -1.26 -4.59 119.74 111.48 1xb8 s LYS 85 Ca 0.65 0.60 -0.30 0.00 -1.00 0.00 0.00 55.97 55.93 1xb8 s LYS 85 Cb -0.08 -1.92 -0.03 0.00 -2.06 0.00 0.00 37.83 33.74 1xb8 s LYS 85 CO 0.49 -1.63 1.21 -1.17 0.10 0.00 0.00 175.35 174.34 1xb8 s LEU 86 N -5.77 4.26 0.21 2.77 2.96 -1.26 -4.35 118.68 117.50 1xb8 s LEU 86 Ca 0.61 1.79 0.10 0.00 -0.22 0.00 0.00 54.13 56.41 1xb8 s LEU 86 Cb -0.14 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 1xb8 s LEU 86 CO 0.54 -0.61 -0.20 0.27 -1.32 0.00 0.00 176.35 175.03 1xb8 s ILE 87 N 2.41 2.17 0.38 6.68 -4.36 0.20 -4.87 121.20 123.80 1xb8 s ILE 87 Ca 0.55 -2.14 0.00 0.00 -0.26 0.00 0.00 60.65 58.81 1xb8 s ILE 87 Cb -0.24 -2.09 0.00 0.00 1.25 0.00 0.00 42.46 41.38 1xb8 s ILE 87 CO 0.21 -0.32 0.04 0.61 0.24 0.00 0.00 174.94 175.72 1xb8 n GLY 88 N -0.08 3.62 3.65 6.27 0.00 -1.26 -0.82 105.19 116.56 1xb8 n GLY 88 Ca -0.10 -2.32 -0.44 0.00 0.00 0.00 0.00 46.02 43.16 1xb8 n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xb8 n SER 89 N -1.31 2.14 0.00 1.61 3.41 -0.62 -1.77 113.62 117.08 1xb8 n SER 89 Ca -0.14 1.19 0.00 0.00 -0.26 0.00 0.00 58.87 59.66 1xb8 n SER 89 Cb 0.47 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 1xb8 n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xb8 n GLY 90 N 1.10 0.80 3.95 5.00 0.00 -0.41 -4.95 105.19 110.68 1xb8 n GLY 90 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1xb8 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xb8 s GLU 91 N -0.28 3.46 0.06 1.61 2.02 -0.73 -4.97 118.70 119.88 1xb8 s GLU 91 Ca 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.42 1xb8 s GLU 91 Cb 0.00 -2.83 -0.04 0.00 0.10 0.00 0.00 34.13 31.36 1xb8 s GLU 91 CO 0.00 0.36 -0.05 -1.59 0.02 0.00 0.00 175.26 174.01 1xb8 s LYS 92 N -3.89 0.64 -0.16 1.61 -2.85 -1.26 -2.98 119.74 110.85 1xb8 s LYS 92 Ca 0.36 -1.15 -0.18 0.00 -1.00 0.00 0.00 55.97 54.00 1xb8 s LYS 92 Cb -0.10 0.02 0.05 0.00 -2.06 0.00 0.00 37.83 35.74 1xb8 s LYS 92 CO 0.31 -0.06 0.49 0.34 0.10 0.00 0.00 175.35 176.52 1xb8 s ASP 93 N -2.69 -0.49 -0.03 0.03 2.15 0.13 -5.01 116.67 110.76 1xb8 s ASP 93 Ca 0.05 0.90 0.03 0.00 0.43 0.00 0.00 52.55 53.95 1xb8 s ASP 93 Cb 0.04 0.92 -0.03 0.00 -0.30 0.00 0.00 42.92 43.55 1xb8 s ASP 93 CO -0.06 -0.22 -0.11 -0.44 -0.17 0.00 0.00 175.17 174.17 1xb8 s SER 94 N 0.04 4.31 -0.03 -0.34 0.01 -1.26 -0.50 113.70 115.93 1xb8 s SER 94 Ca -0.02 -0.16 0.05 0.00 1.31 0.00 0.00 55.95 57.13 1xb8 s SER 94 Cb -0.03 -0.96 -0.01 0.00 0.21 0.00 0.00 66.02 65.23 1xb8 s SER 94 CO 0.02 0.33 -0.17 0.54 0.41 0.00 0.00 173.24 174.36 1xb8 s VAL 95 N -0.84 1.35 -0.04 3.43 0.11 -0.65 -4.92 120.40 118.84 1xb8 s VAL 95 Ca 0.13 -0.70 0.05 0.00 -2.93 0.00 0.00 61.98 58.53 1xb8 s VAL 95 Cb -0.11 -1.15 -0.01 0.00 -1.53 0.00 0.00 36.38 33.59 1xb8 s VAL 95 CO 0.03 0.39 -0.19 -0.89 -3.33 0.00 0.00 175.10 171.11 1xb8 s THR 96 N -0.16 1.55 0.06 5.04 2.01 -1.26 -1.12 115.64 121.77 1xb8 s THR 96 Ca 0.01 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.22 1xb8 s THR 96 Cb -0.09 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 1xb8 s THR 96 CO 0.01 0.44 -0.05 0.72 -0.69 0.00 0.00 174.62 175.05 1xb8 s PHE 97 N -0.03 0.64 0.01 4.92 -0.12 -0.25 -4.95 117.98 118.19 1xb8 s PHE 97 Ca -0.03 -0.92 -0.30 0.00 -0.05 0.00 0.00 56.93 55.62 1xb8 s PHE 97 Cb -0.12 -0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 41.82 1xb8 s PHE 97 CO 0.02 -0.26 1.11 -0.51 -0.05 0.00 0.00 175.22 175.54 1xb8 s ASP 98 N -2.73 7.18 0.52 1.98 -0.00 -1.26 0.26 116.67 122.62 1xb8 s ASP 98 Ca 0.05 1.84 0.31 0.00 -0.00 0.00 0.00 52.55 54.75 1xb8 s ASP 98 Cb 0.04 -2.57 1.16 0.00 -0.00 0.00 0.00 42.92 41.55 1xb8 s ASP 98 CO -0.07 -0.42 1.91 0.58 -0.00 0.00 0.00 175.17 177.17 1xb8 h VAL 99 N 4.72 0.00 -0.01 -1.27 2.07 -1.30 -2.41 116.25 118.04 1xb8 h VAL 99 Ca -0.40 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1xb8 h VAL 99 Cb 1.20 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1xb8 h VAL 99 CO 0.80 0.00 0.23 0.77 0.02 0.00 0.00 177.57 179.39 1xb8 h SER 100 N 0.00 0.00 0.46 0.57 4.64 -1.89 -1.97 113.55 115.37 1xb8 h SER 100 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xb8 h SER 100 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1xb8 h SER 100 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1xb8 n LYS 101 N -2.98 0.31 -4.51 4.77 5.02 -0.91 -4.78 118.16 115.09 1xb8 n LYS 101 Ca -0.02 0.07 -0.33 0.00 -2.02 0.00 0.00 58.31 56.01 1xb8 n LYS 101 Cb 0.29 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.69 1xb8 n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xb8 s LEU 102 N -2.59 3.22 0.00 -0.35 1.43 -0.74 -5.12 118.68 114.53 1xb8 s LEU 102 Ca 0.22 -0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 53.09 1xb8 s LEU 102 Cb 0.16 -1.78 -0.06 0.00 0.03 0.00 0.00 46.19 44.54 1xb8 s LEU 102 CO 0.36 0.32 0.44 -0.54 0.23 0.00 0.00 176.35 177.16 1xb8 s LYS 103 N -1.15 4.00 0.32 1.70 3.01 -1.26 -5.04 119.74 121.32 1xb8 s LYS 103 Ca 0.15 0.47 -0.29 0.00 -1.01 0.00 0.00 55.97 55.29 1xb8 s LYS 103 Cb -0.11 -3.24 -0.11 0.00 -1.01 0.00 0.00 37.83 33.36 1xb8 s LYS 103 CO 0.05 0.64 1.53 -2.00 0.51 0.00 0.00 175.35 176.07 1xb8 s GLU 104 N -0.93 4.14 0.00 1.68 2.12 -1.26 -2.92 118.70 121.53 1xb8 s GLU 104 Ca 0.25 2.54 0.00 0.00 0.36 0.00 0.00 54.97 58.11 1xb8 s GLU 104 Cb -0.17 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.21 1xb8 s GLU 104 CO 0.14 -0.56 0.00 0.41 -0.54 0.00 0.00 175.26 174.71 1xb8 n GLY 105 N 1.46 2.28 3.73 -1.50 0.00 -0.88 -5.00 105.19 105.29 1xb8 n GLY 105 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1xb8 n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xb8 s GLU 106 N -0.02 4.61 -1.18 1.61 2.12 -1.15 -4.92 118.70 119.76 1xb8 s GLU 106 Ca 0.00 1.63 -0.08 0.00 0.36 0.00 0.00 54.97 56.88 1xb8 s GLU 106 Cb 0.00 -3.32 0.23 0.00 0.26 0.00 0.00 34.13 31.30 1xb8 s GLU 106 CO 0.00 0.08 1.63 0.94 -0.54 0.00 0.00 175.26 177.37 1xb8 n GLN 107 N 2.72 3.95 -0.96 4.30 7.27 -1.26 -4.22 117.38 129.18 1xb8 n GLN 107 Ca 0.03 -4.04 -0.36 0.00 0.07 0.00 0.00 57.00 52.70 1xb8 n GLN 107 Cb 0.47 -2.74 0.05 0.00 2.41 0.00 0.00 30.24 30.44 1xb8 n GLN 107 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1xb8 n TYR 108 N 2.89 -3.40 -4.94 3.69 4.01 -1.08 -4.44 117.16 113.90 1xb8 n TYR 108 Ca 0.33 0.22 -0.26 0.00 -0.16 0.00 0.00 57.90 58.02 1xb8 n TYR 108 Cb 0.36 -1.46 -0.16 0.00 -0.31 0.00 0.00 39.34 37.77 1xb8 n TYR 108 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1xb8 s MET 109 N -2.27 1.65 0.13 -0.72 -1.94 0.31 -1.54 119.30 114.92 1xb8 s MET 109 Ca 0.42 -0.69 0.05 0.00 -1.71 0.00 0.00 55.69 53.75 1xb8 s MET 109 Cb -0.09 -1.56 -0.04 0.00 2.01 0.00 0.00 34.83 35.15 1xb8 s MET 109 CO 0.75 0.39 0.09 -0.59 -0.01 0.00 0.00 175.02 175.65 1xb8 s PHE 110 N -0.37 3.10 0.11 -0.03 -0.71 0.00 -1.61 117.98 118.48 1xb8 s PHE 110 Ca 0.05 -0.01 -0.26 0.00 -1.04 0.00 0.00 56.93 55.68 1xb8 s PHE 110 Cb -0.08 -1.53 0.07 0.00 -1.21 0.00 0.00 43.02 40.27 1xb8 s PHE 110 CO -0.00 0.51 0.97 -0.59 -1.34 0.00 0.00 175.22 174.78 1xb8 s PHE 111 N -1.59 -0.16 -0.16 3.49 -0.71 0.00 -0.88 117.98 117.98 1xb8 s PHE 111 Ca 0.29 -0.10 -0.07 0.00 -1.04 0.00 0.00 56.93 56.01 1xb8 s PHE 111 Cb -0.11 0.62 -0.04 0.00 -1.21 0.00 0.00 43.02 42.28 1xb8 s PHE 111 CO 0.22 -0.74 0.09 0.00 -1.34 0.00 0.00 175.22 173.45 1xb8 n THR 113 N 2.94 0.58 -1.72 0.00 -2.24 -1.26 -2.87 114.28 109.71 1xb8 n THR 113 Ca -0.18 -0.79 -0.43 0.00 -2.27 0.00 0.00 64.05 60.39 1xb8 n THR 113 Cb 0.53 0.91 -0.02 0.00 -2.10 0.00 0.00 70.33 69.65 1xb8 n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1xb8 n PHE 114 N 1.43 2.59 -1.69 4.78 7.35 -1.26 -4.73 117.46 125.95 1xb8 n PHE 114 Ca 0.19 0.37 -0.58 0.00 -0.76 0.00 0.00 57.45 56.68 1xb8 n PHE 114 Cb 0.59 -2.52 -0.07 0.00 0.35 0.00 0.00 39.48 37.82 1xb8 n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1xb8 n PRO 115 N 1.65 1.00 -0.84 -7.13 -0.02 -1.26 -0.49 135.00 127.91 1xb8 n PRO 115 Ca 0.08 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1xb8 n PRO 115 Cb 0.35 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1xb8 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xb8 n GLY 116 N 3.77 0.91 0.09 -1.23 0.00 -1.26 -4.91 105.19 102.55 1xb8 n GLY 116 Ca 0.25 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.34 1xb8 n GLY 116 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xb8 n HIS 117 N -2.04 0.74 0.25 1.61 8.25 0.36 -4.52 115.22 119.87 1xb8 n HIS 117 Ca 0.00 0.23 0.10 0.00 -0.26 0.00 0.00 57.72 57.79 1xb8 n HIS 117 Cb 0.00 -0.92 0.67 0.00 1.12 0.00 0.00 29.99 30.86 1xb8 n HIS 117 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1xb8 h SER 118 N 0.00 0.00 0.58 0.41 4.64 -1.70 0.18 113.55 117.65 1xb8 h SER 118 Ca -0.08 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.01 1xb8 h SER 118 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1xb8 h SER 118 CO 0.02 0.13 -1.03 0.00 -0.87 0.00 0.00 176.83 175.08 1xb8 h ALA 119 N 1.87 0.33 0.00 5.18 0.00 -1.88 -3.27 119.26 121.48 1xb8 h ALA 119 Ca -0.00 -0.79 -0.23 0.00 0.00 0.00 0.00 54.91 53.89 1xb8 h ALA 119 Cb 0.29 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1xb8 h ALA 119 CO 0.02 0.94 -1.38 -0.07 0.00 0.00 0.00 179.25 178.75 1xb8 h LEU 120 N 0.11 0.00 -7.00 0.00 3.38 -1.79 -3.42 115.31 106.60 1xb8 h LEU 120 Ca -0.08 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.21 1xb8 h LEU 120 Cb 1.70 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 42.08 1xb8 h LEU 120 CO 0.16 0.87 -0.20 0.23 0.09 0.00 0.00 178.44 179.59 1xb8 n MET 121 N -3.10 2.64 -3.80 1.13 2.81 0.59 -4.63 117.12 112.77 1xb8 n MET 121 Ca -0.10 -4.53 -0.10 0.00 -1.81 0.00 0.00 57.70 51.16 1xb8 n MET 121 Cb 0.96 -2.37 -0.05 0.00 -0.71 0.00 0.00 33.22 31.05 1xb8 n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1xb8 s LYS 122 N -1.78 1.23 0.12 0.03 -2.85 -1.25 -1.94 119.74 113.30 1xb8 s LYS 122 Ca 0.30 -0.94 -0.24 0.00 -1.00 0.00 0.00 55.97 54.09 1xb8 s LYS 122 Cb -0.01 0.46 0.08 0.00 -2.06 0.00 0.00 37.83 36.30 1xb8 s LYS 122 CO -0.09 -0.49 1.12 0.20 0.10 0.00 0.00 175.35 176.19 1xb8 s GLY 123 N -2.89 0.04 0.12 0.59 0.00 -0.06 -4.79 107.32 100.34 1xb8 s GLY 123 Ca 0.10 -0.23 0.02 0.00 0.00 0.00 0.00 44.72 44.61 1xb8 s GLY 123 CO -0.04 3.59 0.26 -0.51 0.00 0.00 0.00 173.10 176.40 1xb8 s THR 124 N -2.09 5.33 -0.05 0.90 -4.23 -0.69 -0.82 115.64 113.99 1xb8 s THR 124 Ca 0.25 -0.60 0.01 0.00 -1.18 0.00 0.00 61.69 60.17 1xb8 s THR 124 Cb -0.02 -3.70 0.02 0.00 1.34 0.00 0.00 72.50 70.14 1xb8 s THR 124 CO 0.03 -0.02 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.81 1xb8 s LEU 125 N -3.01 1.42 -0.02 4.79 0.20 -0.59 0.31 118.68 121.78 1xb8 s LEU 125 Ca 0.35 -0.18 0.01 0.00 0.69 0.00 0.00 54.13 55.00 1xb8 s LEU 125 Cb -0.12 -0.55 0.01 0.00 -0.43 0.00 0.00 46.19 45.10 1xb8 s LEU 125 CO 0.28 -0.03 -0.03 -0.89 -0.29 0.00 0.00 176.35 175.40 1xb8 s THR 126 N 0.84 0.29 -0.28 3.68 2.01 -0.33 -2.62 115.64 119.23 1xb8 s THR 126 Ca -0.12 -0.08 -0.19 0.00 0.31 0.00 0.00 61.69 61.61 1xb8 s THR 126 Cb -0.15 -0.30 -0.02 0.00 0.01 0.00 0.00 72.50 72.05 1xb8 s THR 126 CO 0.01 0.12 0.56 -0.22 -0.69 0.00 0.00 174.62 174.40 1xb8 s LEU 127 N 0.37 4.11 0.00 4.42 2.96 -1.26 -0.98 118.68 128.30 1xb8 s LEU 127 Ca -0.04 0.47 0.00 0.00 -0.22 0.00 0.00 54.13 54.34 1xb8 s LEU 127 Cb -0.07 -2.73 0.00 0.00 0.50 0.00 0.00 46.19 43.89 1xb8 s LEU 127 CO -0.01 -0.37 0.11 0.29 -1.32 0.00 0.00 176.35 175.05