#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tsb n GLU 2 N 0.00 0.00 -0.65 0.00 4.07 -1.26 -3.13 120.64 119.67 2tsb n GLU 2 Ca 0.00 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.12 2tsb n GLU 2 Cb 0.00 0.00 0.20 0.00 -0.06 0.00 0.00 31.44 31.58 2tsb n GLU 2 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2tsb s SER 4 N -2.88 0.09 -0.07 0.00 1.04 -1.19 -2.47 113.70 108.22 2tsb s SER 4 Ca 0.40 -0.65 -0.08 0.00 0.48 0.00 0.00 55.95 56.10 2tsb s SER 4 Cb 0.38 0.36 0.02 0.00 0.10 0.00 0.00 66.02 66.88 2tsb s SER 4 CO -0.03 -0.76 0.22 0.54 0.98 0.00 0.00 173.24 174.20 2tsb s VAL 5 N -3.87 0.01 -0.15 5.02 0.11 0.16 -3.79 120.40 117.89 2tsb s VAL 5 Ca 0.06 -0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.01 2tsb s VAL 5 Cb 0.04 -0.35 0.00 0.00 -1.53 0.00 0.00 36.38 34.55 2tsb s VAL 5 CO -0.10 -0.06 -0.17 -1.81 -3.33 0.00 0.00 175.10 169.63 2tsb s ASP 6 N -0.13 3.46 0.13 3.54 1.11 -1.26 -0.08 116.67 123.44 2tsb s ASP 6 Ca -0.02 -0.53 0.05 0.00 0.18 0.00 0.00 52.55 52.23 2tsb s ASP 6 Cb -0.02 -1.52 -0.04 0.00 1.07 0.00 0.00 42.92 42.40 2tsb s ASP 6 CO 0.01 0.07 -0.11 -0.51 1.18 0.00 0.00 175.17 175.81 2tsb s ILE 7 N 0.88 1.18 -0.00 0.77 2.07 0.97 -4.94 121.20 122.13 2tsb s ILE 7 Ca -0.05 -1.88 0.03 0.00 -1.41 0.00 0.00 60.65 57.35 2tsb s ILE 7 Cb -0.15 -1.65 -0.01 0.00 0.13 0.00 0.00 42.46 40.78 2tsb s ILE 7 CO -0.02 -0.61 -0.10 -1.10 -1.91 0.00 0.00 174.94 171.20 2tsb s GLN 8 N -3.23 0.81 -0.06 3.50 -0.21 -1.26 -1.41 119.66 117.80 2tsb s GLN 8 Ca 0.12 -0.39 0.04 0.00 0.02 0.00 0.00 55.36 55.15 2tsb s GLN 8 Cb -0.01 -0.78 -0.02 0.00 1.00 0.00 0.00 33.01 33.20 2tsb s GLN 8 CO 0.01 0.21 -0.17 0.20 -2.12 0.00 0.00 175.29 173.42 2tsb s GLY 9 N -0.33 1.46 0.14 3.09 0.00 -0.92 -0.53 107.32 110.23 2tsb s GLY 9 Ca 0.03 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 43.76 2tsb s GLY 9 CO -0.00 -0.70 0.05 1.16 0.00 0.00 0.00 173.10 173.61 2tsb n ASN 10 N 2.57 1.92 0.00 1.64 0.23 -0.93 -3.82 115.26 116.87 2tsb n ASN 10 Ca -0.17 -1.54 0.12 0.00 -0.53 0.00 0.00 54.58 52.46 2tsb n ASN 10 Cb 0.52 0.04 0.70 0.00 -2.08 0.00 0.00 39.78 38.96 2tsb n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2tsb n ASP 11 N -1.51 0.00 -0.78 0.53 8.00 -1.26 -2.24 116.55 119.29 2tsb n ASP 11 Ca -0.03 -1.02 0.07 0.00 0.71 0.00 0.00 54.79 54.51 2tsb n ASP 11 Cb 0.17 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.46 2tsb n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2tsb n GLN 12 N -0.92 2.94 -1.85 -1.24 3.00 -1.26 -5.00 117.38 113.06 2tsb n GLN 12 Ca 0.18 -2.34 -0.11 0.00 -0.01 0.00 0.00 57.00 54.72 2tsb n GLN 12 Cb 0.08 -1.47 -0.02 0.00 0.00 0.00 0.00 30.24 28.83 2tsb n GLN 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 2tsb n MET 13 N 0.28 -0.81 -4.64 -1.09 2.81 -0.95 -5.02 117.12 107.71 2tsb n MET 13 Ca 0.15 0.66 -0.30 0.00 -1.81 0.00 0.00 57.70 56.41 2tsb n MET 13 Cb 0.59 -4.70 -0.13 0.00 -0.71 0.00 0.00 33.22 28.27 2tsb n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2tsb s GLN 14 N -3.88 1.80 0.35 0.03 -0.21 -1.26 -3.33 119.66 113.15 2tsb s GLN 14 Ca 0.00 -1.13 -0.05 0.00 0.02 0.00 0.00 55.36 54.20 2tsb s GLN 14 Cb 0.00 -2.05 -0.05 0.00 1.00 0.00 0.00 33.01 31.91 2tsb s GLN 14 CO 0.00 0.50 0.63 -0.06 -2.12 0.00 0.00 175.29 174.24 2tsb s PHE 15 N -0.94 3.49 -1.73 0.91 0.08 -1.26 -2.19 117.98 116.34 2tsb s PHE 15 Ca 0.14 0.71 0.23 0.00 0.12 0.00 0.00 56.93 58.13 2tsb s PHE 15 Cb -0.10 -2.17 1.29 0.00 -0.57 0.00 0.00 43.02 41.46 2tsb s PHE 15 CO 0.05 0.05 1.76 0.27 -0.10 0.00 0.00 175.22 177.25 2tsb n ASN 16 N -1.31 0.00 -3.89 1.36 6.94 0.31 -4.80 115.26 113.87 2tsb n ASN 16 Ca -0.01 -0.41 -0.09 0.00 -0.02 0.00 0.00 54.58 54.05 2tsb n ASN 16 Cb 0.54 -0.14 -0.05 0.00 -2.36 0.00 0.00 39.78 37.78 2tsb n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2tsb s THR 17 N -2.27 0.03 -0.00 5.53 -1.32 -1.26 -5.02 115.64 111.33 2tsb s THR 17 Ca 0.29 -1.16 0.09 0.00 -1.21 0.00 0.00 61.69 59.69 2tsb s THR 17 Cb 0.16 -1.87 0.15 0.00 -1.51 0.00 0.00 72.50 69.43 2tsb s THR 17 CO 0.31 -0.13 1.06 -0.46 -2.21 0.00 0.00 174.62 173.19 2tsb n ASN 18 N -0.32 0.35 -3.66 8.08 6.94 -1.26 -4.79 115.26 120.59 2tsb n ASN 18 Ca -0.06 -2.00 -0.07 0.00 -0.02 0.00 0.00 54.58 52.42 2tsb n ASN 18 Cb 0.62 -0.23 -0.08 0.00 -2.36 0.00 0.00 39.78 37.73 2tsb n ASN 18 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2tsb s ALA 19 N -0.00 -1.46 -0.05 -2.53 0.00 -1.26 -1.99 121.76 114.47 2tsb s ALA 19 Ca 0.12 1.87 0.04 0.00 0.00 0.00 0.00 51.96 53.98 2tsb s ALA 19 Cb 0.13 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.91 2tsb s ALA 19 CO -0.06 -0.60 -0.16 0.42 0.00 0.00 0.00 175.76 175.37 2tsb s ILE 20 N 2.18 1.32 -0.24 0.00 1.01 0.83 -4.95 121.20 121.35 2tsb s ILE 20 Ca -0.06 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 59.96 2tsb s ILE 20 Cb -0.10 -1.15 0.05 0.00 0.01 0.00 0.00 42.46 41.27 2tsb s ILE 20 CO -0.15 0.39 -0.12 -0.89 0.00 0.00 0.00 174.94 174.16 2tsb s THR 21 N 0.17 2.26 -0.35 2.92 2.01 -1.26 0.40 115.64 121.79 2tsb s THR 21 Ca -0.06 -1.38 -0.15 0.00 0.31 0.00 0.00 61.69 60.41 2tsb s THR 21 Cb -0.12 -2.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.17 2tsb s THR 21 CO 0.02 0.14 0.36 -0.69 -0.69 0.00 0.00 174.62 173.76 2tsb s VAL 22 N 1.18 5.17 0.17 3.82 1.01 0.29 -4.93 120.40 127.12 2tsb s VAL 22 Ca -0.04 -0.01 -0.31 0.00 0.00 0.00 0.00 61.98 61.62 2tsb s VAL 22 Cb -0.18 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.26 2tsb s VAL 22 CO -0.07 -0.12 1.57 -0.62 0.00 0.00 0.00 175.10 175.86 2tsb s ASP 23 N 1.74 6.58 0.00 3.32 2.15 -1.26 0.03 116.67 129.23 2tsb s ASP 23 Ca 0.11 2.63 0.00 0.00 0.43 0.00 0.00 52.55 55.73 2tsb s ASP 23 Cb -0.17 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 2tsb s ASP 23 CO 0.12 -0.82 0.95 2.29 -0.17 0.00 0.00 175.17 177.53 2tsb n LYS 24 N 3.85 0.00 0.00 4.34 2.85 -1.11 -1.94 118.16 126.15 2tsb n LYS 24 Ca 0.13 0.45 0.12 0.00 -1.05 0.00 0.00 58.31 57.96 2tsb n LYS 24 Cb 0.38 -1.51 0.07 0.00 -0.65 0.00 0.00 35.03 33.32 2tsb n LYS 24 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2tsb n SER 25 N -1.45 2.68 -4.73 -5.58 3.41 -1.26 -4.91 113.62 101.78 2tsb n SER 25 Ca 0.00 -1.84 -0.41 0.00 -0.26 0.00 0.00 58.87 56.36 2tsb n SER 25 Cb 0.01 0.15 -0.04 0.00 -0.26 0.00 0.00 64.21 64.08 2tsb n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2tsb h LYS 27 N 5.54 0.33 -4.81 0.00 1.57 -1.90 -3.42 116.57 113.88 2tsb h LYS 27 Ca -0.44 -0.57 -0.31 0.00 -1.87 0.00 0.00 60.65 57.47 2tsb h LYS 27 Cb 1.21 0.21 -0.15 0.00 0.08 0.00 0.00 32.23 33.59 2tsb h LYS 27 CO 0.75 1.27 -0.64 -0.65 -0.57 0.00 0.00 179.45 179.60 2tsb s GLN 28 N -2.64 1.22 -0.07 3.15 -1.52 -1.26 -2.63 119.66 115.90 2tsb s GLN 28 Ca -0.05 -1.62 -0.03 0.00 -1.95 0.00 0.00 55.36 51.70 2tsb s GLN 28 Cb 0.06 -0.23 0.04 0.00 -0.22 0.00 0.00 33.01 32.67 2tsb s GLN 28 CO 0.90 -0.21 0.17 0.12 -0.25 0.00 0.00 175.29 176.02 2tsb s PHE 29 N -3.73 -0.20 -0.20 0.91 5.36 -0.47 -4.84 117.98 114.81 2tsb s PHE 29 Ca 0.30 0.55 -0.06 0.00 -0.96 0.00 0.00 56.93 56.76 2tsb s PHE 29 Cb 0.07 -0.08 -0.03 0.00 -0.34 0.00 0.00 43.02 42.64 2tsb s PHE 29 CO 0.08 -0.19 0.04 0.99 -1.46 0.00 0.00 175.22 174.68 2tsb s THR 30 N 1.30 4.32 -0.26 0.12 2.01 -1.03 -0.94 115.64 121.17 2tsb s THR 30 Ca -0.08 -0.19 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 2tsb s THR 30 Cb -0.11 -2.97 0.03 0.00 0.01 0.00 0.00 72.50 69.45 2tsb s THR 30 CO -0.06 0.42 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.56 2tsb s VAL 31 N 0.92 3.04 -0.40 3.82 1.01 -0.03 -0.66 120.40 128.10 2tsb s VAL 31 Ca 0.03 -1.02 -0.15 0.00 0.00 0.00 0.00 61.98 60.83 2tsb s VAL 31 Cb -0.14 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.68 2tsb s VAL 31 CO 0.02 0.15 0.34 0.20 0.00 0.00 0.00 175.10 175.81 2tsb s ASN 32 N 1.34 6.14 -0.15 3.32 0.01 0.89 -1.82 114.94 124.67 2tsb s ASN 32 Ca -0.00 -0.71 -0.04 0.00 -0.71 0.00 0.00 52.86 51.40 2tsb s ASN 32 Cb -0.17 -2.18 -0.03 0.00 0.41 0.00 0.00 41.25 39.28 2tsb s ASN 32 CO -0.03 -0.45 0.00 -0.22 -1.51 0.00 0.00 177.10 174.89 2tsb s LEU 33 N 1.86 3.50 0.15 0.60 2.96 -0.43 -0.02 118.68 127.31 2tsb s LEU 33 Ca 0.08 0.00 0.06 0.00 -0.22 0.00 0.00 54.13 54.04 2tsb s LEU 33 Cb -0.18 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 2tsb s LEU 33 CO 0.11 0.22 -0.12 -0.94 -1.32 0.00 0.00 176.35 174.30 2tsb s SER 34 N 0.07 2.00 -0.55 3.68 1.04 -0.50 -1.19 113.70 118.25 2tsb s SER 34 Ca 0.02 -0.96 0.04 0.00 0.48 0.00 0.00 55.95 55.53 2tsb s SER 34 Cb -0.13 -0.05 0.16 0.00 0.10 0.00 0.00 66.02 66.10 2tsb s SER 34 CO 0.02 -0.25 0.39 -2.28 0.98 0.00 0.00 173.24 172.10 2tsb s HIS 35 N -2.93 2.34 0.11 5.02 2.46 -0.90 -2.16 115.29 119.23 2tsb s HIS 35 Ca 0.16 -2.80 -0.22 0.00 0.47 0.00 0.00 55.06 52.67 2tsb s HIS 35 Cb -0.00 -1.87 -0.05 0.00 -0.13 0.00 0.00 32.58 30.53 2tsb s HIS 35 CO 0.03 -0.69 1.18 -0.35 -2.47 0.00 0.00 174.74 172.43 2tsb n PRO 36 N 2.56 -0.31 0.00 2.88 -0.04 -1.25 -1.09 135.00 137.74 2tsb n PRO 36 Ca 0.22 1.16 0.00 0.00 -0.04 0.00 0.00 63.50 64.84 2tsb n PRO 36 Cb 0.40 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 2tsb n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2tsb n GLY 37 N -1.18 0.00 0.07 0.55 0.00 -1.26 -4.48 105.19 98.90 2tsb n GLY 37 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 2tsb n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2tsb n ASN 38 N 0.00 0.96 -4.83 1.61 4.13 -1.26 -4.56 115.26 111.31 2tsb n ASN 38 Ca 0.00 -1.71 -0.34 0.00 1.68 0.00 0.00 54.58 54.21 2tsb n ASN 38 Cb 0.00 -0.07 -0.06 0.00 -1.54 0.00 0.00 39.78 38.10 2tsb n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2tsb s LEU 39 N -0.67 4.10 0.44 3.41 1.43 -1.26 -4.93 118.68 121.21 2tsb s LEU 39 Ca 0.04 0.26 -0.23 0.00 -1.03 0.00 0.00 54.13 53.17 2tsb s LEU 39 Cb 0.03 -2.31 -0.08 0.00 0.03 0.00 0.00 46.19 43.86 2tsb s LEU 39 CO 0.00 0.30 1.08 -2.16 0.23 0.00 0.00 176.35 175.80 2tsb s PRO 40 N -1.62 3.93 0.36 1.29 0.04 -1.26 -0.09 135.00 137.65 2tsb s PRO 40 Ca 0.22 1.55 0.14 0.00 0.04 0.00 0.00 61.00 62.95 2tsb s PRO 40 Cb -0.12 -2.37 1.00 0.00 0.04 0.00 0.00 34.50 33.05 2tsb s PRO 40 CO 0.13 -0.35 1.75 -0.22 0.04 0.00 0.00 177.00 178.34 2tsb h LYS 41 N 2.09 0.47 0.00 4.56 3.64 -1.84 0.69 116.57 126.18 2tsb h LYS 41 Ca -0.49 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2tsb h LYS 41 Cb 1.23 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2tsb h LYS 41 CO 0.61 0.31 0.00 -2.95 -2.27 0.00 0.00 179.45 175.15 2tsb h ASN 42 N 0.48 0.00 0.00 4.20 -1.07 -1.94 0.96 115.58 118.21 2tsb h ASN 42 Ca 0.62 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 56.80 2tsb h ASN 42 Cb 1.39 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.60 2tsb h ASN 42 CO -0.38 0.00 -1.75 0.52 0.07 0.00 0.00 177.43 175.89 2tsb n VAL 43 N -2.34 0.75 -2.72 6.14 0.31 0.14 -4.82 118.33 115.79 2tsb n VAL 43 Ca 0.02 -0.39 -0.04 0.00 -0.01 0.00 0.00 64.34 63.93 2tsb n VAL 43 Cb 0.27 -0.83 0.08 0.00 -0.91 0.00 0.00 33.84 32.45 2tsb n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2tsb n MET 44 N -2.61 1.37 -2.70 5.55 0.00 -0.62 -5.03 117.12 113.08 2tsb n MET 44 Ca -0.20 -2.52 -0.36 0.00 -0.00 0.00 0.00 57.70 54.61 2tsb n MET 44 Cb 0.81 -0.68 -0.06 0.00 0.00 0.00 0.00 33.22 33.29 2tsb n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2tsb s GLY 45 N -2.41 2.73 0.19 -5.12 0.00 0.33 -4.70 107.32 98.34 2tsb s GLY 45 Ca 0.22 0.57 0.09 0.00 0.00 0.00 0.00 44.72 45.60 2tsb s GLY 45 CO -0.05 0.99 -0.08 0.30 0.00 0.00 0.00 173.10 174.26 2tsb s HIS 46 N -1.70 2.65 0.17 1.90 3.76 -0.50 -4.75 115.29 116.81 2tsb s HIS 46 Ca 0.54 -0.22 0.06 0.00 -0.15 0.00 0.00 55.06 55.29 2tsb s HIS 46 Cb -0.19 -1.28 -0.04 0.00 1.11 0.00 0.00 32.58 32.18 2tsb s HIS 46 CO 0.24 0.53 -0.12 0.54 -0.85 0.00 0.00 174.74 175.08 2tsb s ASN 47 N -2.93 2.07 -0.23 1.40 4.22 -1.26 -1.70 114.94 116.51 2tsb s ASN 47 Ca 0.26 -1.01 -0.05 0.00 -2.14 0.00 0.00 52.86 49.91 2tsb s ASN 47 Cb -0.08 -0.06 -0.02 0.00 1.28 0.00 0.00 41.25 42.37 2tsb s ASN 47 CO 0.16 -0.27 0.01 0.86 -2.04 0.00 0.00 177.10 175.82 2tsb s TRP 48 N -3.18 3.02 -0.05 1.54 -0.00 -1.26 -4.25 118.94 114.77 2tsb s TRP 48 Ca 0.18 -0.64 0.04 0.00 -0.00 0.00 0.00 56.10 55.69 2tsb s TRP 48 Cb 0.01 -2.15 -0.02 0.00 -0.00 0.00 0.00 33.47 31.30 2tsb s TRP 48 CO 0.03 -0.41 -0.16 0.08 -0.00 0.00 0.00 176.95 176.48 2tsb s VAL 49 N 1.44 2.89 -0.08 5.86 1.01 -0.48 0.04 120.40 131.09 2tsb s VAL 49 Ca 0.05 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.29 2tsb s VAL 49 Cb -0.15 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 34.12 2tsb s VAL 49 CO 0.00 0.59 -0.24 -0.22 0.00 0.00 0.00 175.10 175.23 2tsb s LEU 50 N -0.67 2.08 0.21 3.92 2.96 0.35 -1.17 118.68 126.36 2tsb s LEU 50 Ca 0.10 -0.54 -0.20 0.00 -0.22 0.00 0.00 54.13 53.28 2tsb s LEU 50 Cb -0.11 -1.39 0.03 0.00 0.50 0.00 0.00 46.19 45.23 2tsb s LEU 50 CO 0.00 0.20 0.59 -0.94 -1.32 0.00 0.00 176.35 174.88 2tsb s SER 51 N 0.12 -0.33 0.74 3.68 1.04 -0.85 -1.64 113.70 116.46 2tsb s SER 51 Ca -0.12 -0.42 -0.13 0.00 0.48 0.00 0.00 55.95 55.76 2tsb s SER 51 Cb -0.16 0.63 0.04 0.00 0.10 0.00 0.00 66.02 66.63 2tsb s SER 51 CO 0.07 -1.12 1.13 0.42 0.98 0.00 0.00 173.24 174.72 2tsb s THR 52 N -3.86 2.93 -0.29 2.02 -4.23 -1.26 -1.10 115.64 109.84 2tsb s THR 52 Ca 0.08 0.38 0.22 0.00 -1.18 0.00 0.00 61.69 61.19 2tsb s THR 52 Cb -0.02 -2.84 0.22 0.00 1.34 0.00 0.00 72.50 71.20 2tsb s THR 52 CO -0.02 -0.32 1.67 0.00 -0.54 0.00 0.00 174.62 175.41 2tsb n ALA 53 N -3.03 1.23 0.01 3.99 0.00 0.17 -1.80 120.51 121.09 2tsb n ALA 53 Ca 0.11 0.16 -0.18 0.00 0.00 0.00 0.00 53.44 53.53 2tsb n ALA 53 Cb 0.52 -1.33 -0.12 0.00 0.00 0.00 0.00 19.45 18.52 2tsb n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2tsb h ALA 54 N 2.08 0.04 0.00 0.00 0.00 -1.88 -3.35 119.26 116.15 2tsb h ALA 54 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2tsb h ALA 54 Cb 0.11 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2tsb h ALA 54 CO 0.00 0.37 -0.41 -0.44 0.00 0.00 0.00 179.25 178.76 2tsb h ASP 55 N -0.14 0.00 -0.86 0.00 3.32 -1.71 -3.40 116.42 113.63 2tsb h ASP 55 Ca -0.09 -0.02 0.19 0.00 0.02 0.00 0.00 57.03 57.12 2tsb h ASP 55 Cb 1.40 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.78 2tsb h ASP 55 CO 0.13 0.01 -0.14 -0.03 -1.72 0.00 0.00 179.24 177.49 2tsb h MET 56 N 0.00 0.02 0.00 3.56 1.85 -1.60 -0.48 114.93 118.28 2tsb h MET 56 Ca 0.00 -0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.06 2tsb h MET 56 Cb 0.95 -0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.97 2tsb h MET 56 CO 0.00 0.01 -0.16 1.96 -0.40 0.00 0.00 176.91 178.32 2tsb h GLN 57 N 0.02 0.00 0.20 0.39 1.08 -1.84 0.06 115.11 115.02 2tsb h GLN 57 Ca 0.44 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 57.30 2tsb h GLN 57 Cb 0.73 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.18 2tsb h GLN 57 CO -0.85 0.16 -1.62 0.78 -0.95 0.00 0.00 178.83 176.34 2tsb h GLY 58 N 2.45 0.49 1.42 3.46 0.00 -1.56 -2.19 103.07 107.15 2tsb h GLY 58 Ca -0.00 -1.26 -0.06 0.00 0.00 0.00 0.00 47.33 46.01 2tsb h GLY 58 CO 0.02 1.10 0.02 -2.08 0.00 0.00 0.00 176.54 175.61 2tsb h VAL 59 N 0.12 1.23 -0.20 4.60 2.07 -0.88 -2.29 116.25 120.89 2tsb h VAL 59 Ca -0.30 -0.91 -0.12 0.00 0.82 0.00 0.00 66.70 66.19 2tsb h VAL 59 Cb 2.12 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 2tsb h VAL 59 CO 0.21 0.32 -0.40 0.58 0.02 0.00 0.00 177.57 178.30 2tsb h VAL 60 N 0.68 1.30 0.08 2.57 2.07 -0.99 -1.35 116.25 120.61 2tsb h VAL 60 Ca 0.14 -1.56 -0.25 0.00 0.82 0.00 0.00 66.70 65.85 2tsb h VAL 60 Cb 0.39 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2tsb h VAL 60 CO 0.01 0.48 -1.12 0.74 0.02 0.00 0.00 177.57 177.71 2tsb h THR 61 N 0.39 1.47 0.00 2.57 2.02 -1.30 -3.23 112.91 114.82 2tsb h THR 61 Ca 0.03 -2.83 -0.19 0.00 0.77 0.00 0.00 66.41 64.19 2tsb h THR 61 Cb 0.88 2.74 -0.03 0.00 -1.74 0.00 0.00 68.15 70.00 2tsb h THR 61 CO 0.07 0.83 -0.90 0.44 0.37 0.00 0.00 175.52 176.34 2tsb h ASP 62 N 0.12 0.00 0.13 4.18 3.32 -1.47 -3.27 116.42 119.44 2tsb h ASP 62 Ca -0.11 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 2tsb h ASP 62 Cb 1.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.36 2tsb h ASP 62 CO 0.18 0.90 -0.06 1.23 -1.72 0.00 0.00 179.24 179.77 2tsb h GLY 63 N 2.84 -0.18 1.89 2.75 0.00 -1.26 -2.90 103.07 106.21 2tsb h GLY 63 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2tsb h GLY 63 CO 0.12 -0.07 0.00 1.15 0.00 0.00 0.00 176.54 177.74 2tsb n MET 64 N -5.16 0.07 0.08 4.80 0.00 -1.23 -0.83 117.12 114.85 2tsb n MET 64 Ca -0.08 0.16 -0.02 0.00 0.00 0.00 0.00 57.70 57.77 2tsb n MET 64 Cb 0.10 -1.50 -0.05 0.00 0.00 0.00 0.00 33.22 31.77 2tsb n MET 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2tsb h ALA 65 N 2.70 0.59 0.00 3.17 0.00 -1.58 -3.33 119.26 120.81 2tsb h ALA 65 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2tsb h ALA 65 Cb 0.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2tsb h ALA 65 CO 0.00 0.94 0.00 0.77 0.00 0.00 0.00 179.25 180.96 2tsb h SER 66 N 0.00 0.00 -3.91 0.00 0.02 -0.77 -3.50 113.55 105.39 2tsb h SER 66 Ca -0.06 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 60.96 2tsb h SER 66 Cb 1.59 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.09 2tsb h SER 66 CO 0.08 0.00 -0.22 0.61 -1.14 0.00 0.00 176.83 176.16 2tsb n GLY 67 N 0.85 -2.39 0.35 -3.77 0.00 -1.23 -4.12 105.19 94.88 2tsb n GLY 67 Ca 0.03 -1.40 0.17 0.00 0.00 0.00 0.00 46.02 44.83 2tsb n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2tsb h LEU 68 N -0.28 0.00 -0.37 0.99 6.46 -1.93 -0.07 115.31 120.11 2tsb h LEU 68 Ca -0.03 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 2tsb h LEU 68 Cb 0.28 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.21 2tsb h LEU 68 CO 0.01 0.00 0.00 -2.24 -0.62 0.00 0.00 178.44 175.59 2tsb h ASP 69 N 0.00 0.00 -0.46 1.25 2.03 -2.01 -2.96 116.42 114.28 2tsb h ASP 69 Ca 0.19 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.49 2tsb h ASP 69 Cb 0.77 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.27 2tsb h ASP 69 CO -0.00 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.50 2tsb n LYS 70 N -2.31 2.92 -1.59 4.15 4.76 -0.07 -4.94 118.16 121.08 2tsb n LYS 70 Ca 0.04 -2.33 -0.16 0.00 -2.87 0.00 0.00 58.31 52.99 2tsb n LYS 70 Cb 0.34 -1.44 -0.06 0.00 -1.84 0.00 0.00 35.03 32.03 2tsb n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2tsb n ASP 71 N 0.74 -4.84 -3.57 4.39 8.00 -1.12 -2.17 116.55 117.98 2tsb n ASP 71 Ca 0.17 0.32 -0.26 0.00 0.71 0.00 0.00 54.79 55.72 2tsb n ASP 71 Cb 0.55 -3.75 0.04 0.00 -0.02 0.00 0.00 41.12 37.94 2tsb n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2tsb n TYR 72 N -2.80 -2.40 -4.08 1.24 4.01 -1.01 -4.66 117.16 107.46 2tsb n TYR 72 Ca -0.16 0.83 -0.20 0.00 -0.16 0.00 0.00 57.90 58.21 2tsb n TYR 72 Cb 0.53 -4.35 -0.16 0.00 -0.31 0.00 0.00 39.34 35.05 2tsb n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2tsb s LEU 73 N -7.10 1.21 0.45 7.72 1.43 -0.92 -4.34 118.68 117.13 2tsb s LEU 73 Ca 0.54 -0.11 -0.25 0.00 -1.03 0.00 0.00 54.13 53.28 2tsb s LEU 73 Cb -0.26 -0.42 -0.08 0.00 0.03 0.00 0.00 46.19 45.46 2tsb s LEU 73 CO 0.67 -0.08 1.39 -0.75 0.23 0.00 0.00 176.35 177.81 2tsb s LYS 74 N 1.07 3.70 0.38 1.70 2.20 -1.26 -4.82 119.74 122.71 2tsb s LYS 74 Ca -0.09 2.34 -0.24 0.00 -0.36 0.00 0.00 55.97 57.62 2tsb s LYS 74 Cb -0.14 -2.64 -0.09 0.00 -1.51 0.00 0.00 37.83 33.45 2tsb s LYS 74 CO -0.01 -0.78 1.01 -1.25 -0.36 0.00 0.00 175.35 173.97 2tsb s PRO 75 N -2.45 4.27 -1.57 4.03 0.04 -1.26 -3.26 135.00 134.80 2tsb s PRO 75 Ca 0.61 1.43 -0.02 0.00 0.04 0.00 0.00 61.00 63.06 2tsb s PRO 75 Cb -0.42 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.56 2tsb s PRO 75 CO 0.54 -0.03 0.25 -0.25 0.04 0.00 0.00 177.00 177.54 2tsb n ASP 76 N 0.02 -5.68 -4.66 6.66 8.00 -1.26 -4.88 116.55 114.74 2tsb n ASP 76 Ca 0.04 -0.13 -0.42 0.00 0.71 0.00 0.00 54.79 55.00 2tsb n ASP 76 Cb 0.50 -4.62 -0.03 0.00 -0.02 0.00 0.00 41.12 36.95 2tsb n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2tsb s ASP 77 N -2.39 6.54 0.28 -2.24 -1.08 -1.20 -4.83 116.67 111.75 2tsb s ASP 77 Ca 0.12 2.50 0.25 0.00 -0.52 0.00 0.00 52.55 54.90 2tsb s ASP 77 Cb -0.05 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.80 2tsb s ASP 77 CO 0.15 -0.99 1.75 0.77 0.52 0.00 0.00 175.17 177.37 2tsb h SER 78 N 9.96 0.00 -0.05 -0.34 4.64 -1.94 -3.16 113.55 122.67 2tsb h SER 78 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2tsb h SER 78 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2tsb h SER 78 CO 0.95 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.45 2tsb n ARG 79 N -2.37 1.88 -3.61 4.77 1.74 -1.26 -4.77 116.66 113.04 2tsb n ARG 79 Ca 0.03 -1.28 -0.40 0.00 -0.77 0.00 0.00 57.85 55.43 2tsb n ARG 79 Cb 0.32 -1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 30.18 2tsb n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2tsb s VAL 80 N -1.96 4.62 0.15 1.55 1.01 -1.20 -4.44 120.40 120.13 2tsb s VAL 80 Ca 0.35 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.55 2tsb s VAL 80 Cb 0.20 -3.49 -0.06 0.00 0.00 0.00 0.00 36.38 33.03 2tsb s VAL 80 CO 0.32 -0.12 1.46 0.40 0.00 0.00 0.00 175.10 177.16 2tsb h ILE 81 N 5.78 1.28 -1.73 2.22 2.04 -1.61 -3.47 117.51 122.02 2tsb h ILE 81 Ca -0.28 -1.63 0.06 0.00 1.00 0.00 0.00 64.86 64.01 2tsb h ILE 81 Cb 1.12 1.50 -0.21 0.00 -0.74 0.00 0.00 36.82 38.48 2tsb h ILE 81 CO 0.65 0.54 0.48 0.00 0.00 0.00 0.00 178.15 179.82 2tsb s ALA 82 N -4.27 -1.89 0.03 1.87 0.00 -1.23 -4.97 121.76 111.30 2tsb s ALA 82 Ca -0.10 1.47 -0.27 0.00 0.00 0.00 0.00 51.96 53.05 2tsb s ALA 82 Cb 0.11 -0.44 0.07 0.00 0.00 0.00 0.00 23.12 22.85 2tsb s ALA 82 CO 0.88 -0.37 0.62 -3.38 0.00 0.00 0.00 175.76 173.51 2tsb s HIS 83 N -1.41 -0.58 0.00 0.00 -3.43 -1.25 -0.50 115.29 108.13 2tsb s HIS 83 Ca -0.02 0.78 0.00 0.00 -0.80 0.00 0.00 55.06 55.02 2tsb s HIS 83 Cb -0.00 0.44 0.00 0.00 -1.43 0.00 0.00 32.58 31.58 2tsb s HIS 83 CO 0.01 -0.68 0.00 0.25 -2.00 0.00 0.00 174.74 172.32 2tsb n THR 84 N 0.47 0.00 -3.42 -5.38 -2.24 0.11 -4.84 114.28 98.97 2tsb n THR 84 Ca -0.18 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.38 2tsb n THR 84 Cb 0.60 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 2tsb n THR 84 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2tsb s LYS 85 N -1.04 2.46 -0.14 -0.78 -2.85 -1.26 -4.61 119.74 111.52 2tsb s LYS 85 Ca 0.00 -1.63 -0.29 0.00 -1.00 0.00 0.00 55.97 53.04 2tsb s LYS 85 Cb 0.00 -2.44 -0.02 0.00 -2.06 0.00 0.00 37.83 33.31 2tsb s LYS 85 CO 0.00 -0.47 1.25 -1.17 0.10 0.00 0.00 175.35 175.06 2tsb s LEU 86 N -4.33 4.20 0.05 2.77 2.96 -1.26 -4.34 118.68 118.73 2tsb s LEU 86 Ca 0.49 1.72 0.07 0.00 -0.22 0.00 0.00 54.13 56.20 2tsb s LEU 86 Cb -0.05 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 2tsb s LEU 86 CO 0.30 -0.72 -0.18 0.27 -1.32 0.00 0.00 176.35 174.69 2tsb s ILE 87 N 3.22 2.80 0.74 6.68 -4.36 -0.69 -4.87 121.20 124.72 2tsb s ILE 87 Ca 0.55 -1.21 -0.02 0.00 -0.26 0.00 0.00 60.65 59.71 2tsb s ILE 87 Cb -0.22 -2.19 0.15 0.00 1.25 0.00 0.00 42.46 41.45 2tsb s ILE 87 CO 0.16 0.32 1.02 0.61 0.24 0.00 0.00 174.94 177.29 2tsb n GLY 88 N 1.48 0.47 3.77 6.27 0.00 -1.26 -1.41 105.19 114.51 2tsb n GLY 88 Ca -0.16 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 43.50 2tsb n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2tsb s SER 89 N -5.11 5.98 0.00 1.61 1.04 0.87 -1.69 113.70 116.41 2tsb s SER 89 Ca 0.67 2.21 0.00 0.00 0.48 0.00 0.00 55.95 59.30 2tsb s SER 89 Cb -0.04 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2tsb s SER 89 CO 0.44 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 174.23 2tsb n GLY 90 N 0.25 3.18 3.95 7.32 0.00 -0.25 -4.89 105.19 114.75 2tsb n GLY 90 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 2tsb n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2tsb s GLU 91 N -0.45 1.85 0.10 1.61 2.02 -0.68 -4.85 118.70 118.30 2tsb s GLU 91 Ca 0.00 -0.53 -0.13 0.00 0.02 0.00 0.00 54.97 54.33 2tsb s GLU 91 Cb 0.00 -2.18 0.02 0.00 0.10 0.00 0.00 34.13 32.07 2tsb s GLU 91 CO 0.00 -1.44 0.31 0.21 0.02 0.00 0.00 175.26 174.36 2tsb s LYS 92 N -5.29 0.95 -0.26 1.61 2.47 -1.26 -2.12 119.74 115.84 2tsb s LYS 92 Ca 0.64 -0.77 -0.26 0.00 -1.56 0.00 0.00 55.97 54.02 2tsb s LYS 92 Cb -0.08 0.41 0.11 0.00 -1.46 0.00 0.00 37.83 36.80 2tsb s LYS 92 CO 0.45 -0.34 0.93 0.34 0.16 0.00 0.00 175.35 176.90 2tsb s ASP 93 N -2.72 -0.53 0.16 1.43 2.15 -0.34 -5.01 116.67 111.80 2tsb s ASP 93 Ca 0.03 0.98 0.11 0.00 0.43 0.00 0.00 52.55 54.09 2tsb s ASP 93 Cb 0.03 0.98 -0.04 0.00 -0.30 0.00 0.00 42.92 43.58 2tsb s ASP 93 CO -0.10 -0.21 -0.23 -0.44 -0.17 0.00 0.00 175.17 174.02 2tsb s SER 94 N 0.12 3.54 -0.03 -0.34 0.01 -1.26 -1.31 113.70 114.43 2tsb s SER 94 Ca 0.01 -0.75 0.01 0.00 1.31 0.00 0.00 55.95 56.53 2tsb s SER 94 Cb -0.04 -0.33 0.02 0.00 0.21 0.00 0.00 66.02 65.87 2tsb s SER 94 CO -0.03 0.15 -0.02 0.54 0.41 0.00 0.00 173.24 174.29 2tsb s VAL 95 N -1.36 0.32 -0.17 3.43 0.11 -0.75 -4.95 120.40 117.04 2tsb s VAL 95 Ca 0.18 -0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.20 2tsb s VAL 95 Cb -0.09 -0.36 0.02 0.00 -1.53 0.00 0.00 36.38 34.42 2tsb s VAL 95 CO 0.09 0.16 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.95 2tsb s THR 96 N 0.71 1.86 0.37 5.04 2.01 -1.26 -0.85 115.64 123.52 2tsb s THR 96 Ca -0.08 -0.82 0.06 0.00 0.31 0.00 0.00 61.69 61.16 2tsb s THR 96 Cb -0.11 -1.70 -0.07 0.00 0.01 0.00 0.00 72.50 70.62 2tsb s THR 96 CO -0.01 0.51 0.02 0.72 -0.69 0.00 0.00 174.62 175.17 2tsb s PHE 97 N 1.35 2.30 -0.18 4.92 -0.71 -0.11 -4.96 117.98 120.59 2tsb s PHE 97 Ca 0.05 -0.76 -0.19 0.00 -1.04 0.00 0.00 56.93 54.98 2tsb s PHE 97 Cb -0.13 -1.55 -0.03 0.00 -1.21 0.00 0.00 43.02 40.09 2tsb s PHE 97 CO -0.12 0.30 0.55 0.34 -1.34 0.00 0.00 175.22 174.95 2tsb s ASP 98 N -3.61 6.63 0.23 1.98 2.15 -1.26 -1.36 116.67 121.41 2tsb s ASP 98 Ca 0.35 0.76 0.19 0.00 0.43 0.00 0.00 52.55 54.28 2tsb s ASP 98 Cb 0.09 -2.31 0.91 0.00 -0.30 0.00 0.00 42.92 41.31 2tsb s ASP 98 CO 0.17 -0.18 1.59 0.52 -0.17 0.00 0.00 175.17 177.10 2tsb n VAL 99 N 4.43 1.05 1.79 1.11 0.31 -1.08 -1.70 118.33 124.24 2tsb n VAL 99 Ca -0.04 0.45 0.11 0.00 -0.01 0.00 0.00 64.34 64.85 2tsb n VAL 99 Cb 0.50 -1.40 0.59 0.00 -0.91 0.00 0.00 33.84 32.63 2tsb n VAL 99 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2tsb n SER 100 N -2.09 0.49 -0.59 4.52 3.41 -1.26 -2.53 113.62 115.58 2tsb n SER 100 Ca 0.01 -1.41 0.13 0.00 -0.26 0.00 0.00 58.87 57.34 2tsb n SER 100 Cb 0.13 -0.02 0.33 0.00 -0.26 0.00 0.00 64.21 64.39 2tsb n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2tsb n LYS 101 N -0.51 1.70 -5.22 4.33 4.76 -0.69 -4.92 118.16 117.61 2tsb n LYS 101 Ca 0.17 -1.18 -0.31 0.00 -2.87 0.00 0.00 58.31 54.11 2tsb n LYS 101 Cb 0.16 -1.48 -0.16 0.00 -1.84 0.00 0.00 35.03 31.71 2tsb n LYS 101 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2tsb s LEU 102 N -2.12 2.18 -0.06 -0.35 1.43 -1.05 -5.12 118.68 113.60 2tsb s LEU 102 Ca 0.31 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 53.01 2tsb s LEU 102 Cb 0.20 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 45.01 2tsb s LEU 102 CO 0.37 0.30 -0.17 -1.59 0.23 0.00 0.00 176.35 175.49 2tsb s LYS 103 N -0.46 2.60 0.67 1.70 -2.85 -1.26 -5.04 119.74 115.10 2tsb s LYS 103 Ca 0.05 -0.74 -0.15 0.00 -1.00 0.00 0.00 55.97 54.13 2tsb s LYS 103 Cb -0.11 -2.35 0.01 0.00 -2.06 0.00 0.00 37.83 33.31 2tsb s LYS 103 CO 0.01 0.53 1.13 -1.83 0.10 0.00 0.00 175.35 175.29 2tsb s GLU 104 N -0.48 2.64 0.00 1.78 -1.05 -1.26 -3.14 118.70 117.18 2tsb s GLU 104 Ca 0.06 1.49 0.00 0.00 -0.15 0.00 0.00 54.97 56.37 2tsb s GLU 104 Cb -0.12 -1.92 0.00 0.00 -0.44 0.00 0.00 34.13 31.65 2tsb s GLU 104 CO 0.01 -1.39 0.00 0.41 0.95 0.00 0.00 175.26 175.24 2tsb n GLY 105 N -0.27 2.00 3.54 -3.83 0.00 -1.26 -5.03 105.19 100.34 2tsb n GLY 105 Ca 0.11 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 2tsb n GLY 105 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2tsb n GLU 106 N 0.00 0.91 -4.05 1.61 2.13 -1.19 -5.00 120.64 115.04 2tsb n GLU 106 Ca 0.00 0.33 -0.36 0.00 0.66 0.00 0.00 57.16 57.80 2tsb n GLU 106 Cb 0.00 -1.84 -0.08 0.00 0.27 0.00 0.00 31.44 29.79 2tsb n GLU 106 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 2tsb s GLN 107 N -2.00 3.44 -0.01 5.31 0.74 -1.26 -4.85 119.66 121.03 2tsb s GLN 107 Ca 0.66 -0.26 0.06 0.00 0.05 0.00 0.00 55.36 55.87 2tsb s GLN 107 Cb -0.53 -3.08 -0.02 0.00 1.10 0.00 0.00 33.01 30.48 2tsb s GLN 107 CO 0.55 0.63 -0.21 0.71 -0.55 0.00 0.00 175.29 176.43 2tsb s TYR 108 N -0.64 1.88 -0.12 1.67 2.02 -1.24 -0.65 117.35 120.27 2tsb s TYR 108 Ca 0.12 -0.36 0.01 0.00 -0.37 0.00 0.00 57.07 56.47 2tsb s TYR 108 Cb -0.12 -1.21 -0.01 0.00 -0.40 0.00 0.00 41.96 40.22 2tsb s TYR 108 CO 0.02 -0.03 -0.15 -1.64 -1.57 0.00 0.00 175.55 172.19 2tsb s MET 109 N -0.51 3.23 0.12 -0.62 -1.94 -0.26 -0.68 119.30 118.65 2tsb s MET 109 Ca 0.08 -0.71 0.03 0.00 -1.71 0.00 0.00 55.69 53.38 2tsb s MET 109 Cb -0.08 -2.56 -0.04 0.00 2.01 0.00 0.00 34.83 34.16 2tsb s MET 109 CO -0.01 0.26 0.20 -0.59 -0.01 0.00 0.00 175.02 174.88 2tsb s PHE 110 N 0.21 3.37 0.08 -0.03 -0.12 -0.40 -2.02 117.98 119.07 2tsb s PHE 110 Ca -0.09 0.11 -0.26 0.00 -0.05 0.00 0.00 56.93 56.64 2tsb s PHE 110 Cb -0.15 -1.64 0.09 0.00 -0.63 0.00 0.00 43.02 40.68 2tsb s PHE 110 CO 0.05 0.53 1.17 -0.59 -0.05 0.00 0.00 175.22 176.33 2tsb s PHE 111 N -1.64 0.03 -0.00 3.49 -0.12 -0.32 -1.82 117.98 117.60 2tsb s PHE 111 Ca 0.33 -0.27 0.06 0.00 -0.05 0.00 0.00 56.93 57.00 2tsb s PHE 111 Cb -0.11 0.62 -0.03 0.00 -0.63 0.00 0.00 43.02 42.87 2tsb s PHE 111 CO 0.26 -0.57 -0.17 0.00 -0.05 0.00 0.00 175.22 174.69 2tsb n THR 113 N 1.97 0.00 -1.68 0.00 -2.24 -1.26 -3.28 114.28 107.79 2tsb n THR 113 Ca -0.16 -0.31 -0.45 0.00 -2.27 0.00 0.00 64.05 60.86 2tsb n THR 113 Cb 0.52 1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 69.89 2tsb n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2tsb n PHE 114 N -0.25 2.31 -0.79 4.78 -0.00 -1.26 -4.47 117.46 117.78 2tsb n PHE 114 Ca 0.06 0.34 -0.30 0.00 -0.00 0.00 0.00 57.45 57.56 2tsb n PHE 114 Cb 0.34 -2.51 -0.08 0.00 -0.00 0.00 0.00 39.48 37.23 2tsb n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 2tsb n PRO 115 N 2.55 0.00 -0.98 -7.13 -0.02 -1.26 -0.93 135.00 127.22 2tsb n PRO 115 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2tsb n PRO 115 Cb 0.31 -0.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.92 2tsb n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2tsb n GLY 116 N 4.11 0.82 0.10 -1.23 0.00 -1.26 -4.89 105.19 102.83 2tsb n GLY 116 Ca 0.35 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.38 2tsb n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2tsb h HIS 117 N 0.00 0.00 0.00 1.61 3.86 -1.33 -3.34 115.15 115.95 2tsb h HIS 117 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2tsb h HIS 117 Cb 0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.48 2tsb h HIS 117 CO 0.01 0.54 0.00 -1.13 0.86 0.00 0.00 177.93 178.21 2tsb n SER 118 N -2.91 0.25 0.25 2.45 3.41 -1.20 -0.27 113.62 115.61 2tsb n SER 118 Ca -0.08 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.24 2tsb n SER 118 Cb 0.82 -0.64 0.65 0.00 -0.26 0.00 0.00 64.21 64.78 2tsb n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2tsb h ALA 119 N 2.17 1.23 0.00 7.33 0.00 -1.89 -3.33 119.26 124.77 2tsb h ALA 119 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2tsb h ALA 119 Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2tsb h ALA 119 CO 0.00 0.20 -0.82 1.28 0.00 0.00 0.00 179.25 179.91 2tsb n LEU 120 N -3.62 0.00 -4.41 0.00 4.77 -0.21 -4.90 117.00 108.64 2tsb n LEU 120 Ca -0.01 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.52 2tsb n LEU 120 Cb 0.29 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 2tsb n LEU 120 CO 0.31 0.00 1.02 0.00 -1.33 0.00 0.00 177.39 177.39 2tsb s ALA 121 N -1.78 4.15 0.18 -1.18 0.00 0.63 -4.63 121.76 119.14 2tsb s ALA 121 Ca 0.00 -3.42 -0.23 0.00 0.00 0.00 0.00 51.96 48.31 2tsb s ALA 121 Cb 0.00 -3.86 0.06 0.00 0.00 0.00 0.00 23.12 19.32 2tsb s ALA 121 CO 0.00 -2.56 0.68 -1.59 0.00 0.00 0.00 175.76 172.28 2tsb s LYS 122 N 0.67 1.38 -0.00 0.00 0.00 -1.26 -2.39 119.74 118.14 2tsb s LYS 122 Ca 0.34 -0.61 -0.07 0.00 0.00 0.00 0.00 55.97 55.63 2tsb s LYS 122 Cb -0.06 0.57 0.02 0.00 0.00 0.00 0.00 37.83 38.36 2tsb s LYS 122 CO -0.05 -0.62 0.31 0.41 0.00 0.00 0.00 175.35 175.40 2tsb n GLY 123 N -0.40 0.59 3.38 0.59 0.00 -0.75 -4.71 105.19 103.89 2tsb n GLY 123 Ca -0.12 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 2tsb n GLY 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2tsb s THR 124 N -2.15 2.27 -0.09 2.61 -4.23 -0.84 -1.27 115.64 111.93 2tsb s THR 124 Ca 0.07 -1.62 0.04 0.00 -1.18 0.00 0.00 61.69 59.00 2tsb s THR 124 Cb -0.00 -1.97 -0.00 0.00 1.34 0.00 0.00 72.50 71.86 2tsb s THR 124 CO -0.00 0.18 -0.23 -0.22 -0.54 0.00 0.00 174.62 173.81 2tsb s LEU 125 N -1.81 2.16 -0.06 4.79 0.20 0.14 -0.12 118.68 123.99 2tsb s LEU 125 Ca 0.14 -0.52 0.02 0.00 0.69 0.00 0.00 54.13 54.45 2tsb s LEU 125 Cb -0.10 -1.43 0.02 0.00 -0.43 0.00 0.00 46.19 44.25 2tsb s LEU 125 CO 0.05 0.18 -0.09 -0.89 -0.29 0.00 0.00 176.35 175.31 2tsb s THR 126 N 0.21 0.90 -0.17 3.68 2.01 0.16 -3.66 115.64 118.78 2tsb s THR 126 Ca -0.14 -0.34 -0.29 0.00 0.31 0.00 0.00 61.69 61.23 2tsb s THR 126 Cb -0.17 -0.86 -0.00 0.00 0.01 0.00 0.00 72.50 71.48 2tsb s THR 126 CO 0.07 0.31 1.09 -0.22 -0.69 0.00 0.00 174.62 175.18 2tsb s LEU 127 N 0.79 4.17 0.00 4.42 2.96 -1.26 0.11 118.68 129.86 2tsb s LEU 127 Ca -0.13 1.52 0.00 0.00 -0.22 0.00 0.00 54.13 55.30 2tsb s LEU 127 Cb -0.15 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.99 2tsb s LEU 127 CO 0.02 -0.62 0.00 1.17 -1.32 0.00 0.00 176.35 175.60