#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 0.00 0.17 -0.02 0.00 1.04 -1.26 -1.00 113.70 112.64 1xb8 s SER 4 Ca 0.00 -1.14 -0.03 0.00 0.48 0.00 0.00 55.95 55.27 1xb8 s SER 4 Cb 0.00 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1xb8 s SER 4 CO 0.00 -0.83 0.06 0.54 0.98 0.00 0.00 173.24 174.00 1xb8 s VAL 5 N -4.05 0.03 -0.21 5.02 0.11 -0.06 -4.92 120.40 116.32 1xb8 s VAL 5 Ca 0.25 -0.23 -0.11 0.00 -2.93 0.00 0.00 61.98 58.96 1xb8 s VAL 5 Cb 0.06 -0.17 -0.05 0.00 -1.53 0.00 0.00 36.38 34.69 1xb8 s VAL 5 CO 0.04 -0.13 0.17 -1.81 -3.33 0.00 0.00 175.10 170.04 1xb8 s ASP 6 N -0.38 6.20 0.04 3.54 1.01 -1.26 -0.78 116.67 125.04 1xb8 s ASP 6 Ca -0.04 0.22 0.03 0.00 0.71 0.00 0.00 52.55 53.46 1xb8 s ASP 6 Cb -0.03 -2.11 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 1xb8 s ASP 6 CO 0.00 0.11 -0.09 -0.51 0.21 0.00 0.00 175.17 174.89 1xb8 s ILE 7 N 0.70 0.67 -0.01 0.77 2.07 -0.20 -4.95 121.20 120.25 1xb8 s ILE 7 Ca 0.09 -0.97 0.05 0.00 -1.41 0.00 0.00 60.65 58.41 1xb8 s ILE 7 Cb -0.12 -0.69 -0.03 0.00 0.13 0.00 0.00 42.46 41.75 1xb8 s ILE 7 CO 0.02 -0.24 -0.16 -1.10 -1.91 0.00 0.00 174.94 171.55 1xb8 s GLN 8 N -1.33 2.33 -0.07 3.50 -0.21 -1.26 -1.01 119.66 121.61 1xb8 s GLN 8 Ca -0.06 -0.81 0.04 0.00 0.02 0.00 0.00 55.36 54.56 1xb8 s GLN 8 Cb -0.09 -2.29 -0.00 0.00 1.00 0.00 0.00 33.01 31.63 1xb8 s GLN 8 CO 0.01 0.59 -0.21 0.20 -2.12 0.00 0.00 175.29 173.76 1xb8 s GLY 9 N -0.99 1.14 0.38 3.09 0.00 -0.74 -1.53 107.32 108.67 1xb8 s GLY 9 Ca 0.13 -0.84 0.04 0.00 0.00 0.00 0.00 44.72 44.04 1xb8 s GLY 9 CO 0.02 -0.37 0.31 1.16 0.00 0.00 0.00 173.10 174.22 1xb8 n ASN 10 N 3.29 2.13 0.00 1.64 0.23 -0.18 -3.81 115.26 118.56 1xb8 n ASN 10 Ca -0.19 -2.28 0.09 0.00 -0.53 0.00 0.00 54.58 51.67 1xb8 n ASN 10 Cb 0.52 -0.05 0.39 0.00 -2.08 0.00 0.00 39.78 38.56 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 -1.95 0.00 -1.52 0.53 10.43 -1.26 -3.02 116.55 119.76 1xb8 n ASP 11 Ca -0.00 0.50 0.06 0.00 2.57 0.00 0.00 54.79 57.92 1xb8 n ASP 11 Cb 0.43 -0.50 0.34 0.00 1.84 0.00 0.00 41.12 43.23 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 -1.50 4.04 -3.32 -1.24 6.02 -1.26 -4.95 117.38 115.17 1xb8 n GLN 12 Ca 0.04 -3.05 -0.18 0.00 -0.01 0.00 0.00 57.00 53.81 1xb8 n GLN 12 Cb 0.21 -2.11 0.07 0.00 1.02 0.00 0.00 30.24 29.44 1xb8 n GLN 12 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1xb8 n MET 13 N 0.11 -6.19 -4.27 -1.09 2.81 -1.17 -5.02 117.12 102.30 1xb8 n MET 13 Ca 0.27 0.70 -0.17 0.00 -1.81 0.00 0.00 57.70 56.68 1xb8 n MET 13 Cb 1.10 -5.31 -0.14 0.00 -0.71 0.00 0.00 33.22 28.16 1xb8 n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1xb8 s GLN 14 N -5.70 0.60 0.48 0.03 -0.21 -1.26 -4.33 119.66 109.25 1xb8 s GLN 14 Ca 0.29 -0.29 -0.10 0.00 0.02 0.00 0.00 55.36 55.28 1xb8 s GLN 14 Cb -0.13 -0.57 -0.06 0.00 1.00 0.00 0.00 33.01 33.25 1xb8 s GLN 14 CO 0.61 0.16 0.85 -0.06 -2.12 0.00 0.00 175.29 174.73 1xb8 s PHE 15 N -0.22 3.51 -1.67 0.91 2.99 -1.26 -1.02 117.98 121.23 1xb8 s PHE 15 Ca 0.02 1.10 0.12 0.00 0.00 0.00 0.00 56.93 58.18 1xb8 s PHE 15 Cb -0.03 -2.51 0.41 0.00 0.00 0.00 0.00 43.02 40.89 1xb8 s PHE 15 CO -0.00 -0.29 1.31 0.27 -0.00 0.00 0.00 175.22 176.51 1xb8 n ASN 16 N -1.80 2.69 -3.85 1.36 2.04 -0.58 -4.85 115.26 110.27 1xb8 n ASN 16 Ca 0.03 -2.13 -0.12 0.00 -0.44 0.00 0.00 54.58 51.93 1xb8 n ASN 16 Cb 0.54 -0.37 -0.10 0.00 -2.53 0.00 0.00 39.78 37.33 1xb8 n ASN 16 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1xb8 s THR 17 N -1.56 0.07 -0.05 5.53 -1.32 -1.26 -4.99 115.64 112.06 1xb8 s THR 17 Ca 0.30 -0.61 0.08 0.00 -1.21 0.00 0.00 61.69 60.25 1xb8 s THR 17 Cb 0.17 -0.46 0.12 0.00 -1.51 0.00 0.00 72.50 70.83 1xb8 s THR 17 CO 0.18 -0.34 1.05 -0.46 -2.21 0.00 0.00 174.62 172.84 1xb8 n ASN 18 N 1.51 2.08 -3.62 8.08 6.94 -1.26 -4.81 115.26 124.16 1xb8 n ASN 18 Ca -0.22 -2.44 -0.03 0.00 -0.02 0.00 0.00 54.58 51.87 1xb8 n ASN 18 Cb 0.56 -0.18 -0.06 0.00 -2.36 0.00 0.00 39.78 37.73 1xb8 n ASN 18 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xb8 s ALA 19 N -1.76 -2.19 -0.15 -2.53 0.00 -1.26 -1.98 121.76 111.90 1xb8 s ALA 19 Ca 0.13 2.26 -0.00 0.00 0.00 0.00 0.00 51.96 54.36 1xb8 s ALA 19 Cb 0.12 -1.66 0.03 0.00 0.00 0.00 0.00 23.12 21.61 1xb8 s ALA 19 CO 0.01 -0.43 -0.08 0.42 0.00 0.00 0.00 175.76 175.68 1xb8 s ILE 20 N 1.58 1.24 -0.09 0.00 1.01 0.92 -4.92 121.20 120.93 1xb8 s ILE 20 Ca -0.09 -0.57 -0.21 0.00 0.00 0.00 0.00 60.65 59.78 1xb8 s ILE 20 Cb -0.05 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 1xb8 s ILE 20 CO -0.17 0.27 0.61 -0.89 0.00 0.00 0.00 174.94 174.76 1xb8 s THR 21 N 1.60 5.10 -0.23 2.92 2.01 -1.26 -0.31 115.64 125.47 1xb8 s THR 21 Ca 0.03 1.25 -0.06 0.00 0.31 0.00 0.00 61.69 63.21 1xb8 s THR 21 Cb -0.14 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 1xb8 s THR 21 CO -0.08 0.27 0.04 0.68 -0.69 0.00 0.00 174.62 174.83 1xb8 s VAL 22 N 0.79 4.11 -0.08 3.82 -7.23 0.61 -4.95 120.40 117.48 1xb8 s VAL 22 Ca 0.33 -0.25 -0.30 0.00 -1.81 0.00 0.00 61.98 59.96 1xb8 s VAL 22 Cb -0.17 -2.90 -0.05 0.00 0.56 0.00 0.00 36.38 33.83 1xb8 s VAL 22 CO 0.15 0.38 1.58 -0.62 -0.31 0.00 0.00 175.10 176.27 1xb8 s ASP 23 N 1.40 6.72 0.63 4.85 3.68 -1.26 -2.66 116.67 130.02 1xb8 s ASP 23 Ca 0.05 2.12 0.34 0.00 2.13 0.00 0.00 52.55 57.19 1xb8 s ASP 23 Cb -0.15 -2.53 1.91 0.00 -1.45 0.00 0.00 42.92 40.70 1xb8 s ASP 23 CO 0.02 -0.90 2.16 0.07 0.13 0.00 0.00 175.17 176.65 1xb8 h LYS 24 N 9.30 0.00 0.00 4.34 2.10 -0.81 -0.80 116.57 130.71 1xb8 h LYS 24 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1xb8 h LYS 24 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1xb8 h LYS 24 CO 0.96 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 179.07 1xb8 h SER 25 N 0.00 0.00 -3.13 7.07 4.64 -1.90 -3.43 113.55 116.79 1xb8 h SER 25 Ca 0.03 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.82 1xb8 h SER 25 Cb 0.34 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1xb8 h SER 25 CO -0.00 0.00 0.64 0.00 -0.87 0.00 0.00 176.83 176.60 1xb8 h LYS 27 N 6.67 0.96 -5.77 0.00 3.64 -1.88 -3.42 116.57 116.76 1xb8 h LYS 27 Ca -0.42 -0.38 -0.49 0.00 -1.27 0.00 0.00 60.65 58.09 1xb8 h LYS 27 Cb 1.21 -0.05 -0.17 0.00 -0.41 0.00 0.00 32.23 32.81 1xb8 h LYS 27 CO 0.83 1.05 -0.77 -0.65 -2.27 0.00 0.00 179.45 177.64 1xb8 s GLN 28 N -4.77 1.25 -0.00 1.90 -0.21 -1.26 -2.22 119.66 114.35 1xb8 s GLN 28 Ca -0.12 -1.42 0.04 0.00 0.02 0.00 0.00 55.36 53.88 1xb8 s GLN 28 Cb 0.12 -1.22 -0.01 0.00 1.00 0.00 0.00 33.01 32.90 1xb8 s GLN 28 CO 0.86 0.24 -0.13 0.12 -2.12 0.00 0.00 175.29 174.25 1xb8 s PHE 29 N -2.27 1.20 -0.06 0.91 2.19 -0.63 -4.84 117.98 114.47 1xb8 s PHE 29 Ca 0.16 -0.25 0.03 0.00 0.33 0.00 0.00 56.93 57.21 1xb8 s PHE 29 Cb -0.04 -0.76 0.01 0.00 -1.31 0.00 0.00 43.02 40.91 1xb8 s PHE 29 CO 0.06 -0.01 -0.15 0.99 1.83 0.00 0.00 175.22 177.94 1xb8 s THR 30 N -0.40 1.34 -0.20 0.12 2.01 -0.17 -1.21 115.64 117.12 1xb8 s THR 30 Ca 0.05 -0.62 -0.05 0.00 0.31 0.00 0.00 61.69 61.37 1xb8 s THR 30 Cb -0.06 -1.18 -0.02 0.00 0.01 0.00 0.00 72.50 71.25 1xb8 s THR 30 CO -0.00 0.40 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.63 1xb8 s VAL 31 N 0.39 3.91 -0.53 3.82 1.01 -0.22 -0.88 120.40 127.90 1xb8 s VAL 31 Ca -0.11 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 1xb8 s VAL 31 Cb -0.14 -2.76 0.14 0.00 0.00 0.00 0.00 36.38 33.61 1xb8 s VAL 31 CO 0.04 0.43 0.40 0.20 0.00 0.00 0.00 175.10 176.17 1xb8 s ASN 32 N 1.00 5.76 -0.06 3.32 0.02 0.04 -1.22 114.94 123.80 1xb8 s ASN 32 Ca 0.02 -2.11 -0.18 0.00 -1.02 0.00 0.00 52.86 49.57 1xb8 s ASN 32 Cb -0.14 -2.02 -0.05 0.00 0.02 0.00 0.00 41.25 39.06 1xb8 s ASN 32 CO 0.02 -0.65 0.50 -0.22 0.02 0.00 0.00 177.10 176.77 1xb8 s LEU 33 N 1.07 4.36 0.28 0.60 2.96 0.74 -1.03 118.68 127.66 1xb8 s LEU 33 Ca 0.08 0.95 0.02 0.00 -0.22 0.00 0.00 54.13 54.96 1xb8 s LEU 33 Cb -0.24 -2.74 -0.05 0.00 0.50 0.00 0.00 46.19 43.66 1xb8 s LEU 33 CO -0.02 0.10 0.10 -0.94 -1.32 0.00 0.00 176.35 174.27 1xb8 s SER 34 N 0.01 1.44 -0.37 3.68 1.04 -0.18 -0.33 113.70 118.99 1xb8 s SER 34 Ca 0.27 -1.40 0.01 0.00 0.48 0.00 0.00 55.95 55.30 1xb8 s SER 34 Cb -0.16 0.15 0.14 0.00 0.10 0.00 0.00 66.02 66.25 1xb8 s SER 34 CO 0.13 -0.73 0.22 -2.28 0.98 0.00 0.00 173.24 171.56 1xb8 s HIS 35 N -3.66 0.99 0.87 5.02 2.46 -1.15 -1.80 115.29 118.03 1xb8 s HIS 35 Ca 0.37 -1.82 -0.11 0.00 0.47 0.00 0.00 55.06 53.97 1xb8 s HIS 35 Cb 0.08 -1.11 0.11 0.00 -0.13 0.00 0.00 32.58 31.53 1xb8 s HIS 35 CO 0.14 -0.82 1.09 -1.25 -2.47 0.00 0.00 174.74 171.44 1xb8 s PRO 36 N 0.87 1.46 0.24 2.88 0.04 -1.25 -0.66 135.00 138.59 1xb8 s PRO 36 Ca 0.19 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1xb8 s PRO 36 Cb -0.22 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1xb8 s PRO 36 CO -0.00 -2.13 0.00 0.41 0.04 0.00 0.00 177.00 175.32 1xb8 n GLY 37 N -1.08 -2.37 0.00 0.56 0.00 -1.26 -4.13 105.19 96.91 1xb8 n GLY 37 Ca 0.08 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 0.14 0.58 -4.76 1.61 3.02 -1.26 -4.32 115.26 110.27 1xb8 n ASN 38 Ca 0.00 -0.82 -0.39 0.00 -0.03 0.00 0.00 54.58 53.34 1xb8 n ASN 38 Cb 0.00 0.25 -0.06 0.00 -0.61 0.00 0.00 39.78 39.36 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 -0.50 4.39 0.87 3.41 1.43 -1.26 -4.82 118.68 122.20 1xb8 s LEU 39 Ca 0.00 1.12 -0.12 0.00 -1.03 0.00 0.00 54.13 54.10 1xb8 s LEU 39 Cb 0.00 -2.91 0.11 0.00 0.03 0.00 0.00 46.19 43.43 1xb8 s LEU 39 CO 0.00 0.08 1.16 -2.16 0.23 0.00 0.00 176.35 175.65 1xb8 s PRO 40 N -0.03 1.49 0.41 1.29 0.04 -1.26 -1.16 135.00 135.78 1xb8 s PRO 40 Ca 0.31 0.20 0.11 0.00 0.04 0.00 0.00 61.00 61.66 1xb8 s PRO 40 Cb -0.18 -1.89 0.93 0.00 0.04 0.00 0.00 34.50 33.40 1xb8 s PRO 40 CO 0.16 -1.94 1.96 -0.22 0.04 0.00 0.00 177.00 177.01 1xb8 h LYS 41 N -1.31 0.52 0.00 4.56 3.64 -1.83 0.96 116.57 123.11 1xb8 h LYS 41 Ca -0.48 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1xb8 h LYS 41 Cb 1.33 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1xb8 h LYS 41 CO 0.63 0.34 -0.06 0.27 -2.27 0.00 0.00 179.45 178.37 1xb8 n ASN 42 N -4.48 0.48 -0.00 4.20 6.94 -1.26 -1.96 115.26 119.18 1xb8 n ASN 42 Ca 0.11 0.49 -0.00 0.00 -0.02 0.00 0.00 54.58 55.15 1xb8 n ASN 42 Cb 0.34 -0.59 -0.01 0.00 -2.36 0.00 0.00 39.78 37.17 1xb8 n ASN 42 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1xb8 n VAL 43 N -1.93 0.05 -2.68 3.53 0.31 -0.95 -4.84 118.33 111.81 1xb8 n VAL 43 Ca 0.06 -0.04 -0.08 0.00 -0.01 0.00 0.00 64.34 64.28 1xb8 n VAL 43 Cb 0.39 -0.69 0.07 0.00 -0.91 0.00 0.00 33.84 32.70 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 -1.94 1.20 -2.48 5.55 0.00 0.29 -5.02 117.12 114.73 1xb8 n MET 44 Ca -0.01 -2.69 -0.39 0.00 -0.00 0.00 0.00 57.70 54.61 1xb8 n MET 44 Cb 0.43 -0.78 -0.04 0.00 0.00 0.00 0.00 33.22 32.83 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 -2.41 2.98 -0.02 -5.12 0.00 -0.83 -4.67 107.32 97.24 1xb8 s GLY 45 Ca 0.25 0.86 0.04 0.00 0.00 0.00 0.00 44.72 45.86 1xb8 s GLY 45 CO -0.02 1.42 -0.13 0.30 0.00 0.00 0.00 173.10 174.67 1xb8 s HIS 46 N -1.30 1.22 0.36 1.90 3.76 0.41 -4.65 115.29 117.00 1xb8 s HIS 46 Ca 0.48 -0.28 0.04 0.00 -0.15 0.00 0.00 55.06 55.16 1xb8 s HIS 46 Cb -0.30 -0.82 -0.05 0.00 1.11 0.00 0.00 32.58 32.53 1xb8 s HIS 46 CO 0.38 -0.07 0.07 0.54 -0.85 0.00 0.00 174.74 174.82 1xb8 s ASN 47 N -0.12 2.56 -0.19 1.40 2.20 -1.26 0.71 114.94 120.25 1xb8 s ASN 47 Ca 0.01 -1.47 0.01 0.00 -0.94 0.00 0.00 52.86 50.47 1xb8 s ASN 47 Cb -0.07 0.10 0.04 0.00 -2.00 0.00 0.00 41.25 39.32 1xb8 s ASN 47 CO 0.00 -0.71 -0.11 0.86 -2.94 0.00 0.00 177.10 174.20 1xb8 s TRP 48 N -3.26 2.39 -0.08 1.54 -0.00 -1.26 -4.03 118.94 114.25 1xb8 s TRP 48 Ca 0.32 -1.53 0.03 0.00 -0.00 0.00 0.00 56.10 54.91 1xb8 s TRP 48 Cb 0.07 -1.64 0.01 0.00 -0.00 0.00 0.00 33.47 31.90 1xb8 s TRP 48 CO 0.15 -0.73 -0.16 0.08 -0.00 0.00 0.00 176.95 176.28 1xb8 s VAL 49 N 1.41 1.45 -0.11 5.86 1.01 0.01 -1.93 120.40 128.10 1xb8 s VAL 49 Ca -0.00 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1xb8 s VAL 49 Cb -0.16 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1xb8 s VAL 49 CO -0.09 0.43 -0.13 -0.22 0.00 0.00 0.00 175.10 175.09 1xb8 s LEU 50 N 0.56 2.74 0.35 3.92 2.96 -0.49 -1.07 118.68 127.65 1xb8 s LEU 50 Ca -0.16 -0.28 -0.09 0.00 -0.22 0.00 0.00 54.13 53.38 1xb8 s LEU 50 Cb -0.17 -1.60 0.02 0.00 0.50 0.00 0.00 46.19 44.95 1xb8 s LEU 50 CO 0.05 0.22 0.60 -0.94 -1.32 0.00 0.00 176.35 174.96 1xb8 s SER 51 N 0.04 0.46 0.83 3.68 1.04 -0.89 -0.46 113.70 118.40 1xb8 s SER 51 Ca -0.04 -1.29 -0.11 0.00 0.48 0.00 0.00 55.95 54.99 1xb8 s SER 51 Cb -0.14 0.73 0.09 0.00 0.10 0.00 0.00 66.02 66.80 1xb8 s SER 51 CO 0.04 -1.43 1.09 0.42 0.98 0.00 0.00 173.24 174.35 1xb8 s THR 52 N -2.90 2.98 0.41 2.02 -4.23 -1.26 -1.61 115.64 111.06 1xb8 s THR 52 Ca 0.24 0.32 0.09 0.00 -1.18 0.00 0.00 61.69 61.16 1xb8 s THR 52 Cb -0.02 -2.78 0.22 0.00 1.34 0.00 0.00 72.50 71.26 1xb8 s THR 52 CO 0.16 -0.42 2.01 0.00 -0.54 0.00 0.00 174.62 175.83 1xb8 h ALA 53 N -1.35 1.66 -0.04 3.99 0.00 -0.72 -2.57 119.26 120.23 1xb8 h ALA 53 Ca -0.46 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.22 1xb8 h ALA 53 Cb 1.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1xb8 h ALA 53 CO 0.52 0.27 -0.60 0.00 0.00 0.00 0.00 179.25 179.44 1xb8 h ALA 54 N 1.73 0.91 -0.00 0.00 0.00 -1.91 -3.25 119.26 116.73 1xb8 h ALA 54 Ca 0.09 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xb8 h ALA 54 Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xb8 h ALA 54 CO -0.01 0.74 -0.09 -0.25 0.00 0.00 0.00 179.25 179.64 1xb8 n ASP 55 N -3.85 0.46 0.23 0.00 8.00 -0.98 -4.45 116.55 115.96 1xb8 n ASP 55 Ca -0.02 -0.63 -0.15 0.00 0.71 0.00 0.00 54.79 54.70 1xb8 n ASP 55 Cb 0.61 -0.07 -0.08 0.00 -0.02 0.00 0.00 41.12 41.55 1xb8 n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1xb8 h MET 56 N 0.59 -0.53 -0.72 -1.24 4.05 -1.56 -2.39 114.93 113.13 1xb8 h MET 56 Ca 0.00 0.04 0.06 0.00 -0.28 0.00 0.00 59.70 59.52 1xb8 h MET 56 Cb 0.33 0.12 -0.06 0.00 -0.80 0.00 0.00 31.60 31.20 1xb8 h MET 56 CO 0.00 -0.29 0.41 0.37 0.23 0.00 0.00 176.91 177.63 1xb8 h GLN 57 N -0.66 0.72 -0.04 0.39 5.75 -1.83 -0.70 115.11 118.74 1xb8 h GLN 57 Ca -0.06 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.29 1xb8 h GLN 57 Cb 0.48 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 1xb8 h GLN 57 CO 0.09 0.48 -0.47 0.78 -2.65 0.00 0.00 178.83 177.06 1xb8 h GLY 58 N 0.74 0.10 0.99 2.39 0.00 -1.84 0.39 103.07 105.84 1xb8 h GLY 58 Ca 0.32 -0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.46 1xb8 h GLY 58 CO -0.19 0.09 -0.07 -2.08 0.00 0.00 0.00 176.54 174.29 1xb8 h VAL 59 N 0.08 1.27 -0.17 4.60 2.07 -0.83 -0.73 116.25 122.54 1xb8 h VAL 59 Ca 0.00 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 1xb8 h VAL 59 Cb 0.86 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1xb8 h VAL 59 CO 0.07 0.39 0.06 0.58 0.02 0.00 0.00 177.57 178.69 1xb8 h VAL 60 N 0.63 1.18 -0.12 2.57 2.07 -0.82 -0.54 116.25 121.22 1xb8 h VAL 60 Ca 0.11 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.10 1xb8 h VAL 60 Cb 0.60 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1xb8 h VAL 60 CO 0.04 0.17 0.05 0.74 0.02 0.00 0.00 177.57 178.58 1xb8 h THR 61 N 0.10 0.98 -0.16 2.57 2.02 -0.87 -0.97 112.91 116.58 1xb8 h THR 61 Ca 0.05 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1xb8 h THR 61 Cb 0.21 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1xb8 h THR 61 CO -0.00 0.02 0.08 0.00 0.37 0.00 0.00 175.52 175.99 1xb8 h GLY 63 N 0.13 0.34 0.82 0.00 0.00 -0.81 -2.31 103.07 101.25 1xb8 h GLY 63 Ca 0.05 -0.02 0.10 0.00 0.00 0.00 0.00 47.33 47.47 1xb8 h GLY 63 CO -0.01 -0.01 0.51 -0.33 0.00 0.00 0.00 176.54 176.70 1xb8 h MET 64 N 0.17 0.66 -0.07 4.80 2.07 -1.21 -0.69 114.93 120.66 1xb8 h MET 64 Ca 0.14 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.73 1xb8 h MET 64 Cb 0.15 -0.15 0.00 0.00 -1.87 0.00 0.00 31.60 29.73 1xb8 h MET 64 CO -0.18 0.44 0.00 0.00 1.07 0.00 0.00 176.91 178.23 1xb8 n ALA 65 N -2.45 2.58 0.17 6.32 0.00 -0.89 -3.71 120.51 122.52 1xb8 n ALA 65 Ca 0.13 -0.38 0.11 0.00 0.00 0.00 0.00 53.44 53.31 1xb8 n ALA 65 Cb 0.35 -1.21 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 1xb8 n ALA 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xb8 n SER 66 N -0.11 0.58 0.00 0.00 7.64 -0.27 -5.08 113.62 116.39 1xb8 n SER 66 Ca 0.18 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1xb8 n SER 66 Cb 0.26 0.91 0.00 0.00 -1.01 0.00 0.00 64.21 64.37 1xb8 n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xb8 n GLY 67 N 1.24 -0.05 0.17 0.23 0.00 -1.24 -4.04 105.19 101.49 1xb8 n GLY 67 Ca -0.01 -1.71 -0.06 0.00 0.00 0.00 0.00 46.02 44.24 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 0.27 -0.80 0.99 5.85 -1.93 -0.40 115.31 119.30 1xb8 h LEU 68 Ca 0.00 0.02 0.26 0.00 0.84 0.00 0.00 57.88 59.00 1xb8 h LEU 68 Cb 0.00 -0.03 -0.15 0.00 0.37 0.00 0.00 40.66 40.86 1xb8 h LEU 68 CO 0.00 0.20 0.17 -0.67 -0.34 0.00 0.00 178.44 177.79 1xb8 n ASP 69 N -4.94 0.04 -1.70 1.25 2.03 -1.26 0.55 116.55 112.52 1xb8 n ASP 69 Ca 0.02 1.34 0.01 0.00 0.52 0.00 0.00 54.79 56.68 1xb8 n ASP 69 Cb 0.10 -0.55 0.33 0.00 -0.72 0.00 0.00 41.12 40.28 1xb8 n ASP 69 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1xb8 n LYS 70 N -5.01 3.86 -2.62 -0.67 5.02 -0.72 -4.94 118.16 113.09 1xb8 n LYS 70 Ca 0.23 -3.08 -0.16 0.00 -2.02 0.00 0.00 58.31 53.28 1xb8 n LYS 70 Cb 0.76 -2.14 -0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1xb8 n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1xb8 n ASP 71 N -0.03 -4.40 -4.09 4.39 9.92 0.19 -2.13 116.55 120.40 1xb8 n ASP 71 Ca 0.32 0.04 -0.32 0.00 -0.53 0.00 0.00 54.79 54.30 1xb8 n ASP 71 Cb 1.21 -3.69 -0.02 0.00 -0.64 0.00 0.00 41.12 37.99 1xb8 n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1xb8 n TYR 72 N -3.67 -1.79 -4.16 1.24 4.01 -0.24 -4.72 117.16 107.84 1xb8 n TYR 72 Ca -0.14 0.80 -0.17 0.00 -0.16 0.00 0.00 57.90 58.23 1xb8 n TYR 72 Cb 0.61 -3.37 -0.15 0.00 -0.31 0.00 0.00 39.34 36.13 1xb8 n TYR 72 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1xb8 s LEU 73 N -7.17 1.83 0.11 7.72 2.96 -0.91 -4.15 118.68 119.08 1xb8 s LEU 73 Ca 0.48 -0.10 -0.30 0.00 -0.22 0.00 0.00 54.13 53.99 1xb8 s LEU 73 Cb -0.26 -0.31 -0.06 0.00 0.50 0.00 0.00 46.19 46.06 1xb8 s LEU 73 CO 0.90 0.04 1.03 0.00 -1.32 0.00 0.00 176.35 176.99 1xb8 s PRO 75 N 0.11 3.92 -1.43 0.00 0.02 -1.26 -3.62 135.00 132.73 1xb8 s PRO 75 Ca 0.49 1.70 -0.09 0.00 0.02 0.00 0.00 61.00 63.13 1xb8 s PRO 75 Cb -0.25 -2.47 0.05 0.00 0.02 0.00 0.00 34.50 31.84 1xb8 s PRO 75 CO 0.31 -0.40 0.65 -0.25 -0.33 0.00 0.00 177.00 176.98 1xb8 n ASP 76 N -0.30 -4.89 -4.46 2.53 8.00 -1.26 -4.89 116.55 111.27 1xb8 n ASP 76 Ca 0.06 -0.43 -0.43 0.00 0.71 0.00 0.00 54.79 54.70 1xb8 n ASP 76 Cb 0.48 -3.97 -0.03 0.00 -0.02 0.00 0.00 41.12 37.58 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 -2.85 6.30 0.61 -2.24 -1.08 -1.24 -4.91 116.67 111.28 1xb8 s ASP 77 Ca 0.42 -1.25 0.31 0.00 -0.52 0.00 0.00 52.55 51.52 1xb8 s ASP 77 Cb -0.21 -2.43 1.71 0.00 -1.46 0.00 0.00 42.92 40.53 1xb8 s ASP 77 CO 0.52 -1.37 1.95 0.77 0.52 0.00 0.00 175.17 177.57 1xb8 h SER 78 N 9.42 0.00 1.12 -0.34 4.64 -1.93 0.33 113.55 126.79 1xb8 h SER 78 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1xb8 h SER 78 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1xb8 h SER 78 CO 1.18 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.68 1xb8 n ARG 79 N -2.82 0.07 -3.01 4.77 1.74 -1.26 -4.56 116.66 111.60 1xb8 n ARG 79 Ca -0.02 0.06 -0.43 0.00 -0.77 0.00 0.00 57.85 56.68 1xb8 n ARG 79 Cb 0.28 -1.58 -0.06 0.00 -1.02 0.00 0.00 32.46 30.09 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 -3.03 4.68 0.03 1.55 1.01 0.10 -4.44 120.40 120.31 1xb8 s VAL 80 Ca 0.13 0.20 -0.19 0.00 0.00 0.00 0.00 61.98 62.12 1xb8 s VAL 80 Cb 0.17 -4.32 -0.18 0.00 0.00 0.00 0.00 36.38 32.04 1xb8 s VAL 80 CO 0.55 -0.76 1.22 0.40 0.00 0.00 0.00 175.10 176.50 1xb8 h ILE 81 N 5.95 1.39 -3.18 2.22 2.04 -1.01 -3.47 117.51 121.44 1xb8 h ILE 81 Ca -0.25 -1.78 -0.03 0.00 1.00 0.00 0.00 64.86 63.80 1xb8 h ILE 81 Cb 1.09 2.23 -0.12 0.00 -0.74 0.00 0.00 36.82 39.27 1xb8 h ILE 81 CO 0.96 0.53 0.08 0.00 0.00 0.00 0.00 178.15 179.72 1xb8 s ALA 82 N -3.69 -1.27 -0.19 1.87 0.00 -1.24 -5.03 121.76 112.21 1xb8 s ALA 82 Ca -0.13 0.20 -0.28 0.00 0.00 0.00 0.00 51.96 51.75 1xb8 s ALA 82 Cb 0.05 0.81 0.10 0.00 0.00 0.00 0.00 23.12 24.07 1xb8 s ALA 82 CO 0.81 -0.73 0.85 -3.38 0.00 0.00 0.00 175.76 173.31 1xb8 s HIS 83 N -3.78 -0.59 0.87 0.00 -3.43 -1.26 -1.40 115.29 105.69 1xb8 s HIS 83 Ca 0.03 1.26 -0.12 0.00 -0.80 0.00 0.00 55.06 55.42 1xb8 s HIS 83 Cb 0.00 0.37 0.15 0.00 -1.43 0.00 0.00 32.58 31.66 1xb8 s HIS 83 CO -0.11 -0.39 1.22 0.95 -2.00 0.00 0.00 174.74 174.40 1xb8 s THR 84 N -0.37 2.05 0.83 -5.38 -4.23 -0.81 -4.84 115.64 102.88 1xb8 s THR 84 Ca -0.02 -0.09 -0.12 0.00 -1.18 0.00 0.00 61.69 60.27 1xb8 s THR 84 Cb -0.03 -2.95 0.09 0.00 1.34 0.00 0.00 72.50 70.95 1xb8 s THR 84 CO 0.02 0.00 1.18 -1.59 -0.54 0.00 0.00 174.62 173.69 1xb8 s LYS 85 N -5.66 1.82 -0.03 3.99 -2.85 -1.26 -4.56 119.74 111.18 1xb8 s LYS 85 Ca 0.69 0.10 -0.26 0.00 -1.00 0.00 0.00 55.97 55.50 1xb8 s LYS 85 Cb -0.07 -1.94 -0.04 0.00 -2.06 0.00 0.00 37.83 33.73 1xb8 s LYS 85 CO 0.50 -1.69 0.79 -1.17 0.10 0.00 0.00 175.35 173.88 1xb8 s LEU 86 N -5.63 4.35 0.20 2.77 2.96 -1.26 -4.38 118.68 117.68 1xb8 s LEU 86 Ca 0.63 1.36 0.11 0.00 -0.22 0.00 0.00 54.13 56.01 1xb8 s LEU 86 Cb -0.11 -3.24 -0.04 0.00 0.50 0.00 0.00 46.19 43.29 1xb8 s LEU 86 CO 0.50 -0.14 -0.22 0.27 -1.32 0.00 0.00 176.35 175.43 1xb8 s ILE 87 N 0.76 2.28 0.09 6.68 -4.36 0.22 -4.88 121.20 121.99 1xb8 s ILE 87 Ca 0.42 -2.08 0.01 0.00 -0.26 0.00 0.00 60.65 58.73 1xb8 s ILE 87 Cb -0.19 -2.11 0.01 0.00 1.25 0.00 0.00 42.46 41.42 1xb8 s ILE 87 CO 0.22 -0.20 0.04 0.61 0.24 0.00 0.00 174.94 175.85 1xb8 n GLY 88 N 0.11 3.35 3.60 6.27 0.00 -1.26 -0.44 105.19 116.82 1xb8 n GLY 88 Ca -0.11 -2.20 -0.51 0.00 0.00 0.00 0.00 46.02 43.19 1xb8 n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xb8 n SER 89 N -1.68 1.80 0.00 1.61 7.64 -0.31 -2.11 113.62 120.56 1xb8 n SER 89 Ca -0.01 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1xb8 n SER 89 Cb 0.10 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 1xb8 n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xb8 n GLY 90 N 2.63 0.83 3.94 0.23 0.00 0.17 -4.97 105.19 108.02 1xb8 n GLY 90 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.23 2.93 0.03 1.61 2.02 -0.90 -4.95 118.70 119.20 1xb8 s GLU 91 Ca 0.00 -0.36 -0.06 0.00 0.02 0.00 0.00 54.97 54.57 1xb8 s GLU 91 Cb 0.00 -2.44 -0.01 0.00 0.10 0.00 0.00 34.13 31.78 1xb8 s GLU 91 CO 0.00 -0.49 0.12 -1.59 0.02 0.00 0.00 175.26 173.31 1xb8 s LYS 92 N -4.74 0.58 -0.11 1.61 0.00 -1.26 -2.93 119.74 112.89 1xb8 s LYS 92 Ca 0.52 -0.67 -0.20 0.00 0.00 0.00 0.00 55.97 55.62 1xb8 s LYS 92 Cb -0.10 0.23 0.05 0.00 0.00 0.00 0.00 37.83 38.01 1xb8 s LYS 92 CO 0.41 -0.15 0.48 0.34 0.00 0.00 0.00 175.35 176.43 1xb8 s ASP 93 N -1.97 -0.45 -0.06 0.03 2.15 0.55 -5.00 116.67 111.91 1xb8 s ASP 93 Ca -0.07 0.67 0.02 0.00 0.43 0.00 0.00 52.55 53.60 1xb8 s ASP 93 Cb -0.02 0.70 -0.03 0.00 -0.30 0.00 0.00 42.92 43.27 1xb8 s ASP 93 CO -0.03 -0.35 -0.11 -0.44 -0.17 0.00 0.00 175.17 174.07 1xb8 s SER 94 N -0.54 4.32 -0.07 -0.34 0.01 -1.26 -0.19 113.70 115.63 1xb8 s SER 94 Ca -0.07 -0.12 0.04 0.00 1.31 0.00 0.00 55.95 57.12 1xb8 s SER 94 Cb -0.03 -1.02 -0.01 0.00 0.21 0.00 0.00 66.02 65.16 1xb8 s SER 94 CO 0.04 0.35 -0.21 0.54 0.41 0.00 0.00 173.24 174.36 1xb8 s VAL 95 N -0.73 2.38 -0.11 3.43 0.11 -0.36 -4.93 120.40 120.20 1xb8 s VAL 95 Ca 0.11 -0.94 0.01 0.00 -2.93 0.00 0.00 61.98 58.23 1xb8 s VAL 95 Cb -0.11 -1.90 -0.01 0.00 -1.53 0.00 0.00 36.38 32.82 1xb8 s VAL 95 CO 0.01 0.56 -0.16 -0.89 -3.33 0.00 0.00 175.10 171.30 1xb8 s THR 96 N -0.11 2.84 0.07 5.04 2.01 -1.26 -1.06 115.64 123.18 1xb8 s THR 96 Ca -0.04 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 1xb8 s THR 96 Cb -0.14 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 1xb8 s THR 96 CO 0.04 0.54 -0.01 0.72 -0.69 0.00 0.00 174.62 175.22 1xb8 s PHE 97 N 0.16 0.64 0.12 4.92 -0.12 -0.35 -4.98 117.98 118.37 1xb8 s PHE 97 Ca -0.09 -1.09 -0.31 0.00 -0.05 0.00 0.00 56.93 55.40 1xb8 s PHE 97 Cb -0.15 -0.43 -0.07 0.00 -0.63 0.00 0.00 43.02 41.74 1xb8 s PHE 97 CO 0.05 -0.39 1.29 -0.51 -0.05 0.00 0.00 175.22 175.62 1xb8 s ASP 98 N -2.96 6.95 0.46 1.98 1.01 -1.26 -1.61 116.67 121.24 1xb8 s ASP 98 Ca 0.11 2.22 0.25 0.00 0.71 0.00 0.00 52.55 55.85 1xb8 s ASP 98 Cb 0.08 -2.59 0.97 0.00 1.01 0.00 0.00 42.92 42.39 1xb8 s ASP 98 CO -0.07 -0.54 1.85 -0.37 0.21 0.00 0.00 175.17 176.25 1xb8 h VAL 99 N 4.20 0.48 0.00 -1.27 -1.51 -1.71 -2.66 116.25 113.78 1xb8 h VAL 99 Ca -0.43 -1.03 0.00 0.00 -1.23 0.00 0.00 66.70 64.01 1xb8 h VAL 99 Cb 1.21 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 32.10 1xb8 h VAL 99 CO 0.82 0.19 0.00 0.77 -1.23 0.00 0.00 177.57 178.12 1xb8 h SER 100 N 0.00 0.00 0.93 4.19 4.64 -1.89 0.52 113.55 121.94 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 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1xb8 h SER 100 CO 0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 1xb8 n LYS 101 N -2.37 0.22 -4.01 4.77 5.02 -1.00 -4.82 118.16 115.97 1xb8 n LYS 101 Ca -0.02 0.37 -0.27 0.00 -2.02 0.00 0.00 58.31 56.37 1xb8 n LYS 101 Cb 0.04 -1.86 -0.04 0.00 -0.02 0.00 0.00 35.03 33.15 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 -4.52 4.08 0.01 -0.35 1.43 0.17 -5.12 118.68 114.39 1xb8 s LEU 102 Ca 0.06 0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 1xb8 s LEU 102 Cb 0.10 -2.68 -0.01 0.00 0.03 0.00 0.00 46.19 43.63 1xb8 s LEU 102 CO 0.45 0.08 -0.12 -0.54 0.23 0.00 0.00 176.35 176.45 1xb8 s LYS 103 N -3.04 0.88 0.59 1.70 1.02 -1.26 -5.04 119.74 114.60 1xb8 s LYS 103 Ca 0.33 -0.53 -0.18 0.00 0.02 0.00 0.00 55.97 55.60 1xb8 s LYS 103 Cb -0.11 -0.85 -0.04 0.00 -0.52 0.00 0.00 37.83 36.31 1xb8 s LYS 103 CO 0.26 0.22 1.18 -2.00 -0.92 0.00 0.00 175.35 174.09 1xb8 s GLU 104 N -0.62 3.02 0.00 1.68 2.12 -1.26 -3.47 118.70 120.17 1xb8 s GLU 104 Ca 0.03 1.73 0.00 0.00 0.36 0.00 0.00 54.97 57.08 1xb8 s GLU 104 Cb -0.06 -1.95 0.00 0.00 0.26 0.00 0.00 34.13 32.39 1xb8 s GLU 104 CO 0.00 -1.14 0.00 0.41 -0.54 0.00 0.00 175.26 173.99 1xb8 n GLY 105 N 0.32 2.33 3.67 -1.50 0.00 -1.26 -5.01 105.19 103.74 1xb8 n GLY 105 Ca 0.13 -0.44 -0.44 0.00 0.00 0.00 0.00 46.02 45.27 1xb8 n GLY 105 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xb8 n GLU 106 N 0.00 1.98 -3.01 1.61 4.07 -1.23 -4.96 120.64 119.11 1xb8 n GLU 106 Ca 0.00 0.70 -0.42 0.00 -0.06 0.00 0.00 57.16 57.38 1xb8 n GLU 106 Cb 0.00 -2.28 -0.06 0.00 -0.06 0.00 0.00 31.44 29.05 1xb8 n GLU 106 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1xb8 s GLN 107 N -1.30 3.75 0.16 5.31 -0.21 -1.26 -4.87 119.66 121.23 1xb8 s GLN 107 Ca 0.60 0.25 0.10 0.00 0.02 0.00 0.00 55.36 56.33 1xb8 s GLN 107 Cb -0.62 -3.80 -0.04 0.00 1.00 0.00 0.00 33.01 29.55 1xb8 s GLN 107 CO 0.57 -0.79 -0.18 0.71 -2.12 0.00 0.00 175.29 173.48 1xb8 s TYR 108 N 2.95 2.49 0.07 0.91 2.02 -1.24 -0.05 117.35 124.49 1xb8 s TYR 108 Ca 0.29 -0.28 0.06 0.00 -0.37 0.00 0.00 57.07 56.77 1xb8 s TYR 108 Cb -0.14 -1.27 -0.03 0.00 -0.40 0.00 0.00 41.96 40.12 1xb8 s TYR 108 CO 0.16 0.45 -0.17 -1.64 -1.57 0.00 0.00 175.55 172.78 1xb8 s MET 109 N -2.47 1.01 0.15 -0.62 -1.94 -0.63 -2.04 119.30 112.76 1xb8 s MET 109 Ca 0.20 -0.96 0.08 0.00 -1.71 0.00 0.00 55.69 53.30 1xb8 s MET 109 Cb -0.09 -1.10 -0.04 0.00 2.01 0.00 0.00 34.83 35.60 1xb8 s MET 109 CO 0.11 0.26 -0.08 -0.59 -0.01 0.00 0.00 175.02 174.72 1xb8 s PHE 110 N -1.08 2.72 0.08 -0.03 -0.71 0.30 -2.10 117.98 117.16 1xb8 s PHE 110 Ca 0.02 -0.18 -0.27 0.00 -1.04 0.00 0.00 56.93 55.47 1xb8 s PHE 110 Cb -0.09 -1.36 0.08 0.00 -1.21 0.00 0.00 43.02 40.44 1xb8 s PHE 110 CO 0.03 0.48 0.96 -0.59 -1.34 0.00 0.00 175.22 174.75 1xb8 s PHE 111 N -1.53 -0.20 -0.15 3.49 -0.71 -0.23 -1.08 117.98 117.56 1xb8 s PHE 111 Ca 0.24 -0.03 -0.08 0.00 -1.04 0.00 0.00 56.93 56.02 1xb8 s PHE 111 Cb -0.10 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 1xb8 s PHE 111 CO 0.15 -0.69 0.14 0.00 -1.34 0.00 0.00 175.22 173.49 1xb8 n THR 113 N 2.65 0.98 -2.14 0.00 -2.24 -1.26 -3.37 114.28 108.90 1xb8 n THR 113 Ca -0.18 -0.99 -0.41 0.00 -2.27 0.00 0.00 64.05 60.20 1xb8 n THR 113 Cb 0.54 0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 69.26 1xb8 n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1xb8 s PHE 114 N -1.02 3.09 -0.34 4.78 5.36 -1.26 -4.17 117.98 124.42 1xb8 s PHE 114 Ca 0.49 1.42 -0.42 0.00 -0.96 0.00 0.00 56.93 57.45 1xb8 s PHE 114 Cb 0.25 -3.65 -0.17 0.00 -0.34 0.00 0.00 43.02 39.11 1xb8 s PHE 114 CO 0.33 -1.79 1.69 -2.30 -1.46 0.00 0.00 175.22 171.69 1xb8 n PRO 115 N 0.94 0.78 -1.14 10.12 -0.02 -1.26 -0.78 135.00 143.64 1xb8 n PRO 115 Ca 0.00 0.29 -0.05 0.00 -2.02 0.00 0.00 63.50 61.72 1xb8 n PRO 115 Cb 0.42 -1.91 -0.02 0.00 -0.02 0.00 0.00 33.50 31.97 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 4.10 0.72 0.08 -1.23 0.00 -1.26 -4.91 105.19 102.69 1xb8 n GLY 116 Ca 0.28 -0.36 0.03 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.68 0.53 0.25 1.61 8.25 0.04 -4.50 115.22 118.73 1xb8 n HIS 117 Ca -0.05 0.17 0.12 0.00 -0.26 0.00 0.00 57.72 57.71 1xb8 n HIS 117 Cb 0.25 -0.90 0.59 0.00 1.12 0.00 0.00 29.99 31.06 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 -0.83 0.41 4.64 -1.74 0.76 113.55 116.79 1xb8 h SER 118 Ca -0.17 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.19 1xb8 h SER 118 Cb 1.47 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.51 1xb8 h SER 118 CO 0.02 0.15 0.53 0.00 -0.87 0.00 0.00 176.83 176.66 1xb8 h ALA 119 N 1.85 1.10 0.00 5.18 0.00 -1.91 -3.22 119.26 122.27 1xb8 h ALA 119 Ca -0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 54.91 54.52 1xb8 h ALA 119 Cb 0.57 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 1xb8 h ALA 119 CO 0.02 0.33 -2.38 1.28 0.00 0.00 0.00 179.25 178.50 1xb8 n LEU 120 N -4.59 0.00 -4.26 0.00 4.77 -1.00 -4.76 117.00 107.16 1xb8 n LEU 120 Ca 0.11 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.67 1xb8 n LEU 120 Cb 0.11 0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 41.67 1xb8 n LEU 120 CO 0.33 0.49 0.62 -0.04 -1.33 0.00 0.00 177.39 177.46 1xb8 s MET 121 N -2.50 3.86 0.20 3.23 -1.94 0.23 -4.69 119.30 117.70 1xb8 s MET 121 Ca -0.10 -3.22 -0.15 0.00 -1.71 0.00 0.00 55.69 50.50 1xb8 s MET 121 Cb 0.06 -4.34 0.01 0.00 2.01 0.00 0.00 34.83 32.57 1xb8 s MET 121 CO 0.83 -1.25 0.48 -1.59 -0.01 0.00 0.00 175.02 173.48 1xb8 s LYS 122 N -1.26 1.40 0.05 2.03 -2.85 -1.26 -2.11 119.74 115.74 1xb8 s LYS 122 Ca 0.29 -1.00 -0.28 0.00 -1.00 0.00 0.00 55.97 53.98 1xb8 s LYS 122 Cb -0.09 0.49 0.10 0.00 -2.06 0.00 0.00 37.83 36.27 1xb8 s LYS 122 CO -0.10 -0.58 1.17 0.20 0.10 0.00 0.00 175.35 176.14 1xb8 s GLY 123 N -2.92 -0.28 0.16 0.59 0.00 -0.24 -4.72 107.32 99.91 1xb8 s GLY 123 Ca 0.13 0.36 0.03 0.00 0.00 0.00 0.00 44.72 45.24 1xb8 s GLY 123 CO 0.01 0.92 0.25 -0.51 0.00 0.00 0.00 173.10 173.76 1xb8 s THR 124 N -2.59 5.12 -0.02 0.90 -4.23 -0.84 -0.54 115.64 113.45 1xb8 s THR 124 Ca 0.16 -0.80 0.04 0.00 -1.18 0.00 0.00 61.69 59.91 1xb8 s THR 124 Cb 0.02 -3.64 -0.01 0.00 1.34 0.00 0.00 72.50 70.21 1xb8 s THR 124 CO -0.01 -0.11 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.61 1xb8 s LEU 125 N -3.24 1.94 -0.03 4.79 0.20 -0.86 -0.06 118.68 121.41 1xb8 s LEU 125 Ca 0.34 -0.25 -0.00 0.00 0.69 0.00 0.00 54.13 54.91 1xb8 s LEU 125 Cb -0.11 -0.70 0.03 0.00 -0.43 0.00 0.00 46.19 44.98 1xb8 s LEU 125 CO 0.27 0.13 0.02 -0.89 -0.29 0.00 0.00 176.35 175.60 1xb8 s THR 126 N -0.11 0.05 -0.34 3.68 2.01 0.58 -3.73 115.64 117.78 1xb8 s THR 126 Ca 0.01 0.18 -0.16 0.00 0.31 0.00 0.00 61.69 62.04 1xb8 s THR 126 Cb -0.07 -0.19 -0.01 0.00 0.01 0.00 0.00 72.50 72.24 1xb8 s THR 126 CO 0.00 0.13 0.40 -0.22 -0.69 0.00 0.00 174.62 174.24 1xb8 s LEU 127 N 1.23 4.39 0.00 4.42 2.96 -1.26 -0.28 118.68 130.14 1xb8 s LEU 127 Ca -0.07 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 1xb8 s LEU 127 Cb -0.13 -2.40 0.00 0.00 0.50 0.00 0.00 46.19 44.16 1xb8 s LEU 127 CO -0.03 -0.36 0.00 0.29 -1.32 0.00 0.00 176.35 174.93