#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uxl s THR 2 N 0.00 4.76 0.04 0.00 2.01 -0.26 -4.90 115.64 117.29 1uxl s THR 2 Ca 0.00 1.40 0.04 0.00 0.31 0.00 0.00 61.69 63.44 1uxl s THR 2 Cb 0.00 -4.00 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 1uxl s THR 2 CO 0.00 0.44 -0.12 -0.54 -0.69 0.00 0.00 174.62 173.72 1uxl s LYS 3 N -0.45 0.78 0.13 4.92 1.02 -1.26 -0.36 119.74 124.51 1uxl s LYS 3 Ca 0.33 -0.71 -0.01 0.00 0.02 0.00 0.00 55.97 55.60 1uxl s LYS 3 Cb -0.20 -0.74 -0.04 0.00 -0.52 0.00 0.00 37.83 36.34 1uxl s LYS 3 CO 0.20 0.18 0.06 0.00 -0.92 0.00 0.00 175.35 174.87 1uxl s ALA 4 N -0.92 0.87 0.04 5.17 0.00 -0.34 -1.21 121.76 125.37 1uxl s ALA 4 Ca -0.01 -1.48 -0.08 0.00 0.00 0.00 0.00 51.96 50.39 1uxl s ALA 4 Cb -0.08 0.88 -0.00 0.00 0.00 0.00 0.00 23.12 23.92 1uxl s ALA 4 CO 0.01 -0.49 0.16 0.54 0.00 0.00 0.00 175.76 175.98 1uxl s VAL 5 N -4.05 0.12 -0.08 0.00 0.11 0.45 -0.90 120.40 116.05 1uxl s VAL 5 Ca 0.24 -0.99 -0.04 0.00 -2.93 0.00 0.00 61.98 58.27 1uxl s VAL 5 Cb 0.07 -0.95 0.04 0.00 -1.53 0.00 0.00 36.38 34.02 1uxl s VAL 5 CO 0.02 -0.55 0.19 0.00 -3.33 0.00 0.00 175.10 171.43 1uxl s VAL 7 N 1.31 5.29 -0.15 0.00 1.01 -1.26 -0.97 120.40 125.62 1uxl s VAL 7 Ca -0.08 -0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.66 1uxl s VAL 7 Cb -0.11 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1uxl s VAL 7 CO -0.07 0.07 0.39 -0.76 0.00 0.00 0.00 175.10 174.73 1uxl s LEU 8 N 1.75 4.23 0.05 3.92 1.43 0.35 -3.94 118.68 126.48 1uxl s LEU 8 Ca 0.07 0.63 -0.04 0.00 -1.03 0.00 0.00 54.13 53.76 1uxl s LEU 8 Cb -0.17 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 1uxl s LEU 8 CO 0.11 0.01 0.06 -0.54 0.23 0.00 0.00 176.35 176.22 1uxl s LYS 9 N 0.74 0.61 0.00 1.70 1.02 -0.31 -2.26 119.74 121.24 1uxl s LYS 9 Ca 0.21 -0.93 0.00 0.00 0.02 0.00 0.00 55.97 55.27 1uxl s LYS 9 Cb -0.14 0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.40 1uxl s LYS 9 CO 0.07 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.77 1uxl n GLY 10 N 0.50 3.24 0.17 -3.33 0.00 -1.24 -0.92 105.19 103.61 1uxl n GLY 10 Ca -0.17 -1.05 0.12 0.00 0.00 0.00 0.00 46.02 44.92 1uxl n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1uxl h ASP 11 N 0.00 0.00 -1.73 1.61 3.32 -1.92 -3.47 116.42 114.22 1uxl h ASP 11 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1uxl h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1uxl h ASP 11 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1uxl n GLY 12 N 1.14 2.26 0.23 2.75 0.00 -1.26 -5.02 105.19 105.29 1uxl n GLY 12 Ca 0.02 -2.02 0.11 0.00 0.00 0.00 0.00 46.02 44.13 1uxl n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uxl n PRO 13 N 0.00 1.30 -2.56 1.61 -0.04 -1.26 -4.88 135.00 129.18 1uxl n PRO 13 Ca 0.00 -0.45 -0.43 0.00 -0.04 0.00 0.00 63.50 62.58 1uxl n PRO 13 Cb 0.00 -1.38 -0.02 0.00 -0.04 0.00 0.00 33.50 32.05 1uxl n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1uxl s VAL 14 N -1.94 4.50 -0.00 0.52 1.01 -1.26 -4.27 120.40 118.96 1uxl s VAL 14 Ca 0.34 1.80 -0.12 0.00 0.00 0.00 0.00 61.98 64.00 1uxl s VAL 14 Cb 0.17 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 32.40 1uxl s VAL 14 CO 0.27 -0.05 0.24 0.00 0.00 0.00 0.00 175.10 175.56 1uxl s GLN 15 N 2.54 0.62 0.03 2.72 -2.07 -0.82 -3.72 119.66 118.97 1uxl s GLN 15 Ca 0.51 -0.32 -0.29 0.00 -1.82 0.00 0.00 55.36 53.45 1uxl s GLN 15 Cb -0.20 0.27 0.10 0.00 -1.09 0.00 0.00 33.01 32.09 1uxl s GLN 15 CO 0.17 -0.17 1.19 0.20 -1.32 0.00 0.00 175.29 175.36 1uxl s GLY 16 N -1.45 -0.36 -0.08 2.60 0.00 -0.96 -0.38 107.32 106.70 1uxl s GLY 16 Ca -0.13 0.53 0.01 0.00 0.00 0.00 0.00 44.72 45.13 1uxl s GLY 16 CO 0.02 0.09 -0.10 -0.42 0.00 0.00 0.00 173.10 172.69 1uxl s ILE 17 N -2.68 1.03 -0.09 0.90 1.01 -0.88 -0.49 121.20 119.99 1uxl s ILE 17 Ca 0.14 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.45 1uxl s ILE 17 Cb 0.03 -0.99 -0.00 0.00 0.01 0.00 0.00 42.46 41.52 1uxl s ILE 17 CO -0.02 0.34 -0.23 -0.63 0.00 0.00 0.00 174.94 174.40 1uxl s ILE 18 N 1.03 2.01 0.05 2.92 -1.09 -0.14 -2.40 121.20 123.58 1uxl s ILE 18 Ca -0.08 -0.99 0.01 0.00 -2.23 0.00 0.00 60.65 57.35 1uxl s ILE 18 Cb -0.15 -1.74 -0.04 0.00 -1.58 0.00 0.00 42.46 38.96 1uxl s ILE 18 CO -0.01 0.55 0.15 0.20 -1.23 0.00 0.00 174.94 174.60 1uxl s ASN 19 N 0.32 6.03 -0.03 3.58 -0.87 0.14 -0.75 114.94 123.35 1uxl s ASN 19 Ca -0.18 0.18 0.04 0.00 -1.57 0.00 0.00 52.86 51.33 1uxl s ASN 19 Cb -0.18 -1.78 -0.00 0.00 -0.02 0.00 0.00 41.25 39.27 1uxl s ASN 19 CO 0.08 0.20 -0.14 -0.36 -2.57 0.00 0.00 177.10 174.31 1uxl s PHE 20 N -1.41 1.40 -0.02 2.20 0.40 -0.08 -1.20 117.98 119.27 1uxl s PHE 20 Ca 0.31 -0.38 -0.00 0.00 -0.60 0.00 0.00 56.93 56.26 1uxl s PHE 20 Cb -0.13 -0.95 0.03 0.00 0.51 0.00 0.00 43.02 42.47 1uxl s PHE 20 CO 0.23 -0.13 0.03 -2.00 0.70 0.00 0.00 175.22 174.05 1uxl s GLU 21 N 0.07 -0.03 -0.26 0.44 2.12 -0.09 -1.20 118.70 119.75 1uxl s GLU 21 Ca -0.03 0.17 -0.02 0.00 0.36 0.00 0.00 54.97 55.45 1uxl s GLU 21 Cb -0.10 -0.20 0.08 0.00 0.26 0.00 0.00 34.13 34.17 1uxl s GLU 21 CO 0.01 -0.14 0.07 -1.14 -0.54 0.00 0.00 175.26 173.52 1uxl s GLN 22 N 0.90 0.68 0.21 4.30 0.74 0.51 -0.19 119.66 126.82 1uxl s GLN 22 Ca -0.07 -0.76 -0.08 0.00 0.05 0.00 0.00 55.36 54.50 1uxl s GLN 22 Cb -0.11 -1.99 0.16 0.00 1.10 0.00 0.00 33.01 32.18 1uxl s GLN 22 CO -0.03 -0.83 1.79 0.87 -0.55 0.00 0.00 175.29 176.54 1uxl h LYS 23 N 8.17 1.19 -5.67 1.67 1.57 -1.83 -0.67 116.57 121.01 1uxl h LYS 23 Ca -0.15 -0.20 -0.52 0.00 -1.87 0.00 0.00 60.65 57.91 1uxl h LYS 23 Cb 1.06 -0.20 -0.26 0.00 0.08 0.00 0.00 32.23 32.90 1uxl h LYS 23 CO 0.41 0.95 -0.82 -1.21 -0.57 0.00 0.00 179.45 178.21 1uxl s GLU 24 N -5.61 1.21 0.55 3.15 0.41 -1.26 -4.36 118.70 112.78 1uxl s GLU 24 Ca -0.12 -0.78 0.29 0.00 -0.41 0.00 0.00 54.97 53.94 1uxl s GLU 24 Cb 0.16 -1.24 1.58 0.00 -1.78 0.00 0.00 34.13 32.85 1uxl s GLU 24 CO 0.84 0.32 2.13 0.66 -0.49 0.00 0.00 175.26 178.72 1uxl h SER 25 N 5.11 0.00 -0.37 -0.19 4.64 -1.97 -0.73 113.55 120.04 1uxl h SER 25 Ca -0.39 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.84 1uxl h SER 25 Cb 1.17 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.20 1uxl h SER 25 CO 0.45 0.08 0.03 -0.46 -0.87 0.00 0.00 176.83 176.06 1uxl n ASN 26 N -3.69 3.65 -4.73 4.97 6.94 -1.26 -4.92 115.26 116.22 1uxl n ASN 26 Ca -0.02 -3.27 -0.29 0.00 -0.02 0.00 0.00 54.58 50.98 1uxl n ASN 26 Cb 0.19 -0.61 -0.08 0.00 -2.36 0.00 0.00 39.78 36.92 1uxl n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1uxl s GLY 27 N -1.96 2.68 0.84 4.83 0.00 -0.28 -5.13 107.32 108.30 1uxl s GLY 27 Ca 0.45 -1.36 -0.11 0.00 0.00 0.00 0.00 44.72 43.70 1uxl s GLY 27 CO 0.07 -2.09 1.10 2.56 0.00 0.00 0.00 173.10 174.74 1uxl s PRO 28 N -3.88 1.70 -0.19 2.90 0.04 -1.26 -4.78 135.00 129.52 1uxl s PRO 28 Ca 0.24 1.10 -0.04 0.00 0.04 0.00 0.00 61.00 62.34 1uxl s PRO 28 Cb 0.04 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.73 1uxl s PRO 28 CO 0.13 -2.01 -0.04 0.08 0.04 0.00 0.00 177.00 175.20 1uxl s VAL 29 N -2.87 3.59 0.03 -0.36 1.01 0.97 -4.32 120.40 118.44 1uxl s VAL 29 Ca 0.63 -0.44 -0.27 0.00 0.00 0.00 0.00 61.98 61.90 1uxl s VAL 29 Cb -0.18 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 1uxl s VAL 29 CO 0.57 0.44 0.86 -0.75 0.00 0.00 0.00 175.10 176.23 1uxl s LYS 30 N 1.05 4.56 -0.13 2.72 2.20 0.74 -1.00 119.74 129.87 1uxl s LYS 30 Ca 0.01 1.23 0.00 0.00 -0.36 0.00 0.00 55.97 56.85 1uxl s LYS 30 Cb -0.15 -3.41 0.02 0.00 -1.51 0.00 0.00 37.83 32.79 1uxl s LYS 30 CO 0.00 0.14 -0.12 0.08 -0.36 0.00 0.00 175.35 175.10 1uxl s VAL 31 N 0.39 1.36 0.06 4.02 1.01 -0.06 -0.92 120.40 126.27 1uxl s VAL 31 Ca 0.44 -0.50 -0.18 0.00 0.00 0.00 0.00 61.98 61.74 1uxl s VAL 31 Cb -0.21 -1.31 0.04 0.00 0.00 0.00 0.00 36.38 34.90 1uxl s VAL 31 CO 0.25 0.42 0.41 -1.66 0.00 0.00 0.00 175.10 174.53 1uxl s TRP 32 N 1.54 -0.26 -4.77 5.22 -2.14 -0.34 -0.73 118.94 117.46 1uxl s TRP 32 Ca 0.04 0.16 0.00 0.00 2.66 0.00 0.00 56.10 58.96 1uxl s TRP 32 Cb -0.13 0.23 0.00 0.00 -3.10 0.00 0.00 33.47 30.47 1uxl s TRP 32 CO -0.09 -0.60 0.00 0.41 -2.66 0.00 0.00 176.95 174.00 1uxl n GLY 33 N 0.34 -0.50 3.31 3.67 0.00 -0.74 0.26 105.19 111.53 1uxl n GLY 33 Ca -0.18 -0.84 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 1uxl n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uxl s SER 34 N -4.00 -0.31 -0.07 1.61 1.04 -1.01 -0.99 113.70 109.98 1uxl s SER 34 Ca 0.00 0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.71 1uxl s SER 34 Cb 0.00 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.50 1uxl s SER 34 CO 0.00 -0.48 -0.16 -0.63 0.98 0.00 0.00 173.24 172.95 1uxl s ILE 35 N -1.27 1.42 0.38 -1.02 1.01 -0.47 -2.08 121.20 119.17 1uxl s ILE 35 Ca -0.13 -0.66 0.08 0.00 0.00 0.00 0.00 60.65 59.95 1uxl s ILE 35 Cb -0.04 -1.25 -0.06 0.00 0.01 0.00 0.00 42.46 41.11 1uxl s ILE 35 CO 0.06 0.42 0.05 -1.59 0.00 0.00 0.00 174.94 173.87 1uxl s LYS 36 N 0.46 2.06 0.00 2.79 -2.85 0.49 -0.30 119.74 122.39 1uxl s LYS 36 Ca -0.14 -1.90 0.00 0.00 -1.00 0.00 0.00 55.97 52.94 1uxl s LYS 36 Cb -0.16 -1.84 0.00 0.00 -2.06 0.00 0.00 37.83 33.78 1uxl s LYS 36 CO 0.05 0.02 0.00 0.41 0.10 0.00 0.00 175.35 175.92 1uxl n GLY 37 N -1.02 0.75 3.92 0.59 0.00 -0.92 -1.94 105.19 106.58 1uxl n GLY 37 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 1uxl n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uxl s LEU 38 N 0.00 3.68 0.38 0.99 1.43 -0.72 -4.23 118.68 120.20 1uxl s LEU 38 Ca 0.00 0.69 -0.21 0.00 -1.03 0.00 0.00 54.13 53.58 1uxl s LEU 38 Cb 0.00 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.52 1uxl s LEU 38 CO 0.00 -0.59 0.91 0.42 0.23 0.00 0.00 176.35 177.32 1uxl s THR 39 N -2.64 4.40 0.27 5.49 -4.23 -1.26 -3.97 115.64 113.69 1uxl s THR 39 Ca 0.46 1.48 -0.30 0.00 -1.18 0.00 0.00 61.69 62.16 1uxl s THR 39 Cb -0.10 -3.70 -0.14 0.00 1.34 0.00 0.00 72.50 69.90 1uxl s THR 39 CO 0.42 -0.17 1.21 1.21 -0.54 0.00 0.00 174.62 176.75 1uxl n GLU 40 N -0.27 1.70 0.00 3.99 2.13 -1.26 -4.63 120.64 122.30 1uxl n GLU 40 Ca 0.05 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.47 1uxl n GLU 40 Cb 0.53 -2.12 0.00 0.00 0.27 0.00 0.00 31.44 30.12 1uxl n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1uxl n GLY 41 N 1.49 0.39 3.85 8.31 0.00 -0.43 -4.93 105.19 113.87 1uxl n GLY 41 Ca 0.10 -2.30 -0.35 0.00 0.00 0.00 0.00 46.02 43.47 1uxl n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uxl s LEU 42 N 0.00 4.36 -0.04 0.99 1.43 -1.26 -1.01 118.68 123.16 1uxl s LEU 42 Ca 0.00 0.98 -0.01 0.00 -1.03 0.00 0.00 54.13 54.07 1uxl s LEU 42 Cb 0.00 -3.10 0.03 0.00 0.03 0.00 0.00 46.19 43.15 1uxl s LEU 42 CO 0.00 0.15 0.06 -1.00 0.23 0.00 0.00 176.35 175.79 1uxl s HIS 43 N -1.40 0.01 0.46 0.29 3.76 -0.49 -2.87 115.29 115.05 1uxl s HIS 43 Ca 0.35 0.24 -0.24 0.00 -0.15 0.00 0.00 55.06 55.26 1uxl s HIS 43 Cb -0.15 -0.30 -0.09 0.00 1.11 0.00 0.00 32.58 33.15 1uxl s HIS 43 CO 0.18 -0.14 1.16 0.41 -0.85 0.00 0.00 174.74 175.50 1uxl n GLY 44 N 4.62 0.23 2.62 -2.22 0.00 -0.17 -0.84 105.19 109.43 1uxl n GLY 44 Ca -0.18 0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 1uxl n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1uxl s PHE 45 N -1.27 0.16 0.03 1.61 5.36 0.07 -0.74 117.98 123.21 1uxl s PHE 45 Ca 0.65 -0.21 0.01 0.00 -0.96 0.00 0.00 56.93 56.42 1uxl s PHE 45 Cb -0.50 -0.65 -0.02 0.00 -0.34 0.00 0.00 43.02 41.51 1uxl s PHE 45 CO 0.55 -0.46 -0.05 -1.01 -1.46 0.00 0.00 175.22 172.79 1uxl s HIS 46 N 2.15 0.46 -0.24 10.12 3.76 -0.52 -1.94 115.29 129.07 1uxl s HIS 46 Ca 0.03 -0.53 -0.18 0.00 -0.15 0.00 0.00 55.06 54.22 1uxl s HIS 46 Cb -0.15 -0.29 -0.03 0.00 1.11 0.00 0.00 32.58 33.22 1uxl s HIS 46 CO -0.08 -0.15 0.53 0.08 -0.85 0.00 0.00 174.74 174.27 1uxl s VAL 47 N -1.51 5.07 0.41 -0.90 1.01 0.29 -0.45 120.40 124.31 1uxl s VAL 47 Ca -0.12 0.93 0.01 0.00 0.00 0.00 0.00 61.98 62.80 1uxl s VAL 47 Cb -0.09 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1uxl s VAL 47 CO -0.01 0.11 0.61 -1.00 0.00 0.00 0.00 175.10 174.81 1uxl s HIS 48 N 2.13 3.29 0.13 5.22 3.76 0.15 -1.22 115.29 128.75 1uxl s HIS 48 Ca 0.23 0.22 -0.15 0.00 -0.15 0.00 0.00 55.06 55.21 1uxl s HIS 48 Cb -0.16 -2.16 0.00 0.00 1.11 0.00 0.00 32.58 31.38 1uxl s HIS 48 CO 0.09 -0.18 1.63 1.49 -0.85 0.00 0.00 174.74 176.92 1uxl h GLU 49 N 0.55 0.70 -5.95 1.40 4.81 -0.50 -2.81 114.58 112.78 1uxl h GLU 49 Ca -0.47 -0.18 -0.68 0.00 -0.13 0.00 0.00 59.36 57.91 1uxl h GLU 49 Cb 1.24 -0.09 -0.19 0.00 0.63 0.00 0.00 28.75 30.35 1uxl h GLU 49 CO 0.58 0.72 -0.68 -0.06 -0.73 0.00 0.00 179.01 178.84 1uxl s PHE 50 N -5.26 3.00 -0.60 0.92 0.08 -0.11 -4.65 117.98 111.36 1uxl s PHE 50 Ca -0.13 -0.00 -0.05 0.00 0.12 0.00 0.00 56.93 56.86 1uxl s PHE 50 Cb 0.10 -1.77 -0.02 0.00 -0.57 0.00 0.00 43.02 40.77 1uxl s PHE 50 CO 0.78 0.29 2.92 0.41 -0.10 0.00 0.00 175.22 179.52 1uxl n GLY 51 N 2.44 4.19 3.15 4.36 0.00 -1.15 -3.63 105.19 114.55 1uxl n GLY 51 Ca -0.18 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 1uxl n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uxl s ASP 52 N 0.89 4.84 -0.21 1.61 -1.08 -1.26 -4.96 116.67 116.50 1uxl s ASP 52 Ca 0.61 -1.35 0.15 0.00 -0.52 0.00 0.00 52.55 51.43 1uxl s ASP 52 Cb 0.32 -1.69 0.59 0.00 -1.46 0.00 0.00 42.92 40.68 1uxl s ASP 52 CO -0.13 -0.27 1.52 -3.20 0.52 0.00 0.00 175.17 173.60 1uxl n ASN 53 N 4.58 4.12 0.23 -0.34 5.15 -1.26 -3.01 115.26 124.73 1uxl n ASN 53 Ca -0.12 -3.11 0.07 0.00 -0.60 0.00 0.00 54.58 50.82 1uxl n ASN 53 Cb 0.43 -0.60 0.53 0.00 -0.53 0.00 0.00 39.78 39.61 1uxl n ASN 53 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1uxl h THR 54 N 2.13 1.02 -0.75 -0.44 1.35 -1.93 -1.93 112.91 112.36 1uxl h THR 54 Ca 0.05 -0.75 -0.55 0.00 -0.55 0.00 0.00 66.41 64.61 1uxl h THR 54 Cb 1.64 1.42 -0.41 0.00 -1.73 0.00 0.00 68.15 69.07 1uxl h THR 54 CO 0.34 0.20 -0.69 0.00 -0.25 0.00 0.00 175.52 175.12 1uxl n ALA 55 N -2.44 5.09 -0.63 6.62 0.00 -1.26 -5.06 120.51 122.82 1uxl n ALA 55 Ca -0.02 -3.76 0.00 0.00 0.00 0.00 0.00 53.44 49.66 1uxl n ALA 55 Cb 0.28 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.31 1uxl n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uxl n GLY 56 N -0.73 0.64 0.27 0.00 0.00 -0.73 -3.24 105.19 101.40 1uxl n GLY 56 Ca 0.45 -0.77 0.15 0.00 0.00 0.00 0.00 46.02 45.85 1uxl n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uxl h THR 58 N 0.00 1.17 -0.02 0.00 2.02 -1.88 -2.43 112.91 111.77 1uxl h THR 58 Ca -0.00 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1uxl h THR 58 Cb 0.42 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1uxl h THR 58 CO 0.01 0.21 0.00 -1.54 0.37 0.00 0.00 175.52 174.57 1uxl n SER 59 N -4.43 0.17 0.00 4.18 3.41 -1.19 -3.44 113.62 112.31 1uxl n SER 59 Ca 0.11 -1.56 0.10 0.00 -0.26 0.00 0.00 58.87 57.27 1uxl n SER 59 Cb 0.08 -0.01 0.47 0.00 -0.26 0.00 0.00 64.21 64.49 1uxl n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uxl n ALA 60 N -0.63 1.99 -0.42 7.33 0.00 -0.91 -4.44 120.51 123.43 1uxl n ALA 60 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1uxl n ALA 60 Cb 0.08 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1uxl n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uxl n GLY 61 N 0.56 -0.81 2.72 0.00 0.00 -1.22 -0.94 105.19 105.49 1uxl n GLY 61 Ca 0.07 -1.15 -0.20 0.00 0.00 0.00 0.00 46.02 44.73 1uxl n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uxl n PRO 62 N -0.25 -0.87 -1.89 1.61 -0.04 -1.26 -4.57 135.00 127.74 1uxl n PRO 62 Ca 0.00 -1.47 -0.39 0.00 -0.04 0.00 0.00 63.50 61.60 1uxl n PRO 62 Cb 0.00 -0.94 0.01 0.00 -0.04 0.00 0.00 33.50 32.53 1uxl n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1uxl s HIS 63 N -3.00 2.55 -0.08 0.54 3.76 -1.26 -0.31 115.29 117.49 1uxl s HIS 63 Ca 0.53 1.33 -0.30 0.00 -0.15 0.00 0.00 55.06 56.47 1uxl s HIS 63 Cb -0.01 -3.81 -0.05 0.00 1.11 0.00 0.00 32.58 29.81 1uxl s HIS 63 CO 0.37 -2.64 1.64 0.12 -0.85 0.00 0.00 174.74 173.38 1uxl s PHE 64 N -1.25 2.02 -0.42 1.40 5.36 -0.36 -4.47 117.98 120.27 1uxl s PHE 64 Ca 0.61 0.27 0.08 0.00 -0.96 0.00 0.00 56.93 56.94 1uxl s PHE 64 Cb -0.41 -3.90 0.29 0.00 -0.34 0.00 0.00 43.02 38.66 1uxl s PHE 64 CO 0.52 -3.67 0.78 -1.71 -1.46 0.00 0.00 175.22 169.68 1uxl n ASN 65 N 7.31 -0.74 0.27 6.13 5.15 -1.26 -1.08 115.26 131.03 1uxl n ASN 65 Ca 0.17 -3.11 0.15 0.00 -0.60 0.00 0.00 54.58 51.19 1uxl n ASN 65 Cb 0.43 0.37 0.71 0.00 -0.53 0.00 0.00 39.78 40.76 1uxl n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1uxl h PRO 66 N 3.50 0.00 -0.52 1.20 0.13 -1.91 -2.72 132.00 131.68 1uxl h PRO 66 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1uxl h PRO 66 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1uxl h PRO 66 CO 0.38 0.09 0.00 1.28 -0.23 0.00 0.00 178.00 179.52 1uxl n LEU 67 N -3.32 3.27 -3.66 1.56 4.77 -1.26 -4.99 117.00 113.37 1uxl n LEU 67 Ca -0.01 -1.54 -0.28 0.00 -0.03 0.00 0.00 56.01 54.15 1uxl n LEU 67 Cb 0.29 -0.34 0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1uxl n LEU 67 CO 0.29 0.77 -0.06 -1.20 -1.33 0.00 0.00 177.39 175.86 1uxl n SER 68 N 1.31 -5.47 -4.73 -1.43 7.64 -1.03 -5.01 113.62 104.91 1uxl n SER 68 Ca 0.20 -0.92 -0.27 0.00 1.01 0.00 0.00 58.87 58.89 1uxl n SER 68 Cb 0.54 -3.21 -0.08 0.00 -1.01 0.00 0.00 64.21 60.45 1uxl n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1uxl s ARG 69 N -5.59 2.16 0.53 1.43 1.81 -1.26 -5.14 118.95 112.89 1uxl s ARG 69 Ca 0.35 -2.00 -0.03 0.00 -1.72 0.00 0.00 55.73 52.33 1uxl s ARG 69 Cb -0.13 -1.85 0.00 0.00 -0.45 0.00 0.00 34.95 32.52 1uxl s ARG 69 CO 0.86 -0.18 0.80 0.15 -0.68 0.00 0.00 175.30 176.26 1uxl s LYS 70 N -3.89 3.01 0.49 3.54 -0.14 -1.26 -4.67 119.74 116.82 1uxl s LYS 70 Ca 0.34 -0.19 -0.23 0.00 -1.36 0.00 0.00 55.97 54.53 1uxl s LYS 70 Cb 0.05 -2.39 -0.07 0.00 -1.68 0.00 0.00 37.83 33.74 1uxl s LYS 70 CO 0.19 -0.50 1.32 -1.58 -0.76 0.00 0.00 175.35 174.01 1uxl s HIS 71 N -2.80 2.54 0.13 3.18 5.65 0.12 -3.18 115.29 120.92 1uxl s HIS 71 Ca 0.51 1.40 -0.04 0.00 0.25 0.00 0.00 55.06 57.18 1uxl s HIS 71 Cb -0.10 -3.71 0.02 0.00 -1.18 0.00 0.00 32.58 27.61 1uxl s HIS 71 CO 0.42 -2.46 0.25 0.41 -0.65 0.00 0.00 174.74 172.71 1uxl n GLY 72 N 0.63 1.88 3.95 1.59 0.00 -1.25 -4.37 105.19 107.61 1uxl n GLY 72 Ca 0.08 -1.17 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 1uxl n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uxl s GLY 73 N -1.71 1.74 0.42 -0.02 0.00 -1.20 -4.65 107.32 101.90 1uxl s GLY 73 Ca 0.06 -1.08 0.13 0.00 0.00 0.00 0.00 44.72 43.83 1uxl s GLY 73 CO 0.05 -0.71 1.96 -0.56 0.00 0.00 0.00 173.10 173.84 1uxl h PRO 74 N -0.35 0.09 0.00 2.90 0.13 -1.86 -2.68 132.00 130.22 1uxl h PRO 74 Ca -0.43 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1uxl h PRO 74 Cb 1.31 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1uxl h PRO 74 CO 0.57 0.26 -0.16 1.63 -0.23 0.00 0.00 178.00 180.07 1uxl n LYS 75 N -4.30 0.02 -2.57 0.86 4.01 -1.26 -4.85 118.16 110.07 1uxl n LYS 75 Ca -0.02 0.01 -0.37 0.00 -0.51 0.00 0.00 58.31 57.42 1uxl n LYS 75 Cb 0.25 -1.52 -0.04 0.00 -0.51 0.00 0.00 35.03 33.21 1uxl n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1uxl s ASP 76 N -3.10 6.94 0.10 4.39 1.01 -1.01 -4.96 116.67 120.04 1uxl s ASP 76 Ca 0.13 2.04 -0.14 0.00 0.71 0.00 0.00 52.55 55.29 1uxl s ASP 76 Cb 0.18 -2.59 -0.08 0.00 1.01 0.00 0.00 42.92 41.44 1uxl s ASP 76 CO 0.59 -0.36 1.44 -0.08 0.21 0.00 0.00 175.17 176.96 1uxl h GLU 77 N 2.83 0.72 -5.84 8.23 4.22 -1.88 -3.39 114.58 119.47 1uxl h GLU 77 Ca -0.48 -0.37 -0.61 0.00 0.08 0.00 0.00 59.36 57.99 1uxl h GLU 77 Cb 1.21 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 30.35 1uxl h GLU 77 CO 0.63 0.99 0.63 -2.00 -2.18 0.00 0.00 179.01 177.08 1uxl s GLU 78 N -4.41 3.27 0.15 1.92 2.56 -1.26 -4.97 118.70 115.96 1uxl s GLU 78 Ca -0.12 -0.38 -0.24 0.00 0.00 0.00 0.00 54.97 54.23 1uxl s GLU 78 Cb 0.09 -4.11 0.07 0.00 2.00 0.00 0.00 34.13 32.18 1uxl s GLU 78 CO 0.83 -1.64 0.70 -0.98 -0.56 0.00 0.00 175.26 173.61 1uxl s ARG 79 N 4.20 1.27 0.47 4.30 1.04 -1.19 -3.84 118.95 125.20 1uxl s ARG 79 Ca 0.29 -0.54 -0.20 0.00 -1.04 0.00 0.00 55.73 54.24 1uxl s ARG 79 Cb -0.13 0.54 -0.09 0.00 -2.04 0.00 0.00 34.95 33.23 1uxl s ARG 79 CO 0.17 -0.56 1.02 -1.01 -0.04 0.00 0.00 175.30 174.87 1uxl s HIS 80 N -3.63 3.07 0.35 5.89 3.76 -1.20 -4.66 115.29 118.86 1uxl s HIS 80 Ca 0.04 1.58 0.07 0.00 -0.15 0.00 0.00 55.06 56.60 1uxl s HIS 80 Cb -0.02 -3.02 0.75 0.00 1.11 0.00 0.00 32.58 31.41 1uxl s HIS 80 CO -0.08 -0.66 1.89 0.28 -0.85 0.00 0.00 174.74 175.31 1uxl h VAL 81 N 1.64 0.90 0.00 -0.90 2.07 -1.85 -1.68 116.25 116.43 1uxl h VAL 81 Ca -0.49 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1uxl h VAL 81 Cb 1.21 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1uxl h VAL 81 CO 0.59 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.93 1uxl n GLY 82 N -1.43 -0.76 3.48 2.17 0.00 -0.24 -4.49 105.19 103.92 1uxl n GLY 82 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1uxl n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uxl s ASP 83 N -0.91 6.17 -0.12 1.61 1.01 -0.63 -0.55 116.67 123.25 1uxl s ASP 83 Ca 0.00 -0.83 0.15 0.00 0.71 0.00 0.00 52.55 52.58 1uxl s ASP 83 Cb 0.00 -2.46 0.51 0.00 1.01 0.00 0.00 42.92 41.98 1uxl s ASP 83 CO 0.00 -1.54 1.42 0.18 0.21 0.00 0.00 175.17 175.44 1uxl n LEU 84 N 8.14 3.85 0.00 1.23 4.77 -0.82 -3.47 117.00 130.69 1uxl n LEU 84 Ca -0.02 -2.65 0.00 0.00 -0.03 0.00 0.00 56.01 53.31 1uxl n LEU 84 Cb 0.46 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1uxl n LEU 84 CO 0.66 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 178.03 1uxl n GLY 85 N 0.06 0.64 3.17 -0.72 0.00 -1.18 -4.75 105.19 102.41 1uxl n GLY 85 Ca 0.20 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 1uxl n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uxl s ASN 86 N -4.00 1.93 0.24 1.61 0.01 -1.26 -0.75 114.94 112.72 1uxl s ASN 86 Ca 0.00 -0.41 0.06 0.00 -0.71 0.00 0.00 52.86 51.80 1uxl s ASN 86 Cb 0.00 -0.17 -0.03 0.00 0.41 0.00 0.00 41.25 41.46 1uxl s ASN 86 CO 0.00 0.12 0.25 0.68 -1.51 0.00 0.00 177.10 176.65 1uxl s VAL 87 N -0.66 4.74 -0.18 1.60 -7.23 -0.02 -4.89 120.40 113.76 1uxl s VAL 87 Ca 0.05 -1.24 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 1uxl s VAL 87 Cb -0.07 -3.56 0.01 0.00 0.56 0.00 0.00 36.38 33.32 1uxl s VAL 87 CO 0.01 -0.33 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.41 1uxl s THR 88 N -2.06 2.38 -0.05 5.32 2.01 -1.26 -1.39 115.64 120.59 1uxl s THR 88 Ca 0.33 -0.84 -0.17 0.00 0.31 0.00 0.00 61.69 61.33 1uxl s THR 88 Cb -0.08 -2.02 -0.05 0.00 0.01 0.00 0.00 72.50 70.36 1uxl s THR 88 CO 0.26 0.51 0.46 0.00 -0.69 0.00 0.00 174.62 175.16 1uxl s ALA 89 N 1.25 3.57 1.02 7.40 0.00 -0.18 -4.03 121.76 130.79 1uxl s ALA 89 Ca 0.03 -0.18 -0.08 0.00 0.00 0.00 0.00 51.96 51.74 1uxl s ALA 89 Cb -0.14 -2.54 0.10 0.00 0.00 0.00 0.00 23.12 20.55 1uxl s ALA 89 CO -0.09 0.23 0.56 -0.40 0.00 0.00 0.00 175.76 176.06 1uxl n ASP 90 N 2.75 -0.22 0.09 0.00 5.68 0.23 -1.32 116.55 123.75 1uxl n ASP 90 Ca -0.10 -1.14 0.08 0.00 -0.50 0.00 0.00 54.79 53.13 1uxl n ASP 90 Cb 0.52 -0.44 0.37 0.00 -1.14 0.00 0.00 41.12 40.43 1uxl n ASP 90 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1uxl n LYS 91 N -2.36 0.10 -0.03 0.11 2.85 -1.26 -0.93 118.16 116.64 1uxl n LYS 91 Ca 0.07 0.49 0.12 0.00 -1.05 0.00 0.00 58.31 57.94 1uxl n LYS 91 Cb 0.25 -1.75 0.23 0.00 -0.65 0.00 0.00 35.03 33.11 1uxl n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1uxl n ASP 92 N -1.94 2.63 0.00 -5.58 8.00 -1.26 -4.88 116.55 113.52 1uxl n ASP 92 Ca 0.01 -1.87 0.00 0.00 0.71 0.00 0.00 54.79 53.64 1uxl n ASP 92 Cb 0.09 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1uxl n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uxl n GLY 93 N 1.32 0.47 3.52 0.44 0.00 -0.11 -4.72 105.19 106.11 1uxl n GLY 93 Ca 0.16 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 1uxl n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uxl s VAL 94 N -2.00 4.20 -0.22 1.61 1.01 -1.26 -1.75 120.40 121.99 1uxl s VAL 94 Ca 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 1uxl s VAL 94 Cb 0.00 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 1uxl s VAL 94 CO 0.00 0.46 0.02 0.00 0.00 0.00 0.00 175.10 175.58 1uxl s ALA 95 N 0.62 3.06 -0.45 5.51 0.00 0.59 -0.60 121.76 130.49 1uxl s ALA 95 Ca 0.00 -1.05 -0.17 0.00 0.00 0.00 0.00 51.96 50.74 1uxl s ALA 95 Cb -0.14 -1.88 0.04 0.00 0.00 0.00 0.00 23.12 21.14 1uxl s ALA 95 CO 0.02 -0.29 0.44 -0.51 0.00 0.00 0.00 175.76 175.42 1uxl s ASP 96 N 1.25 6.18 -0.12 0.00 1.01 -1.26 -1.37 116.67 122.36 1uxl s ASP 96 Ca 0.04 -0.91 -0.23 0.00 0.71 0.00 0.00 52.55 52.17 1uxl s ASP 96 Cb -0.15 -2.22 -0.03 0.00 1.01 0.00 0.00 42.92 41.54 1uxl s ASP 96 CO 0.02 -0.63 0.69 -0.69 0.21 0.00 0.00 175.17 174.76 1uxl s VAL 97 N 2.04 5.02 -0.26 -1.27 1.01 -0.16 -4.87 120.40 121.92 1uxl s VAL 97 Ca 0.10 1.37 -0.01 0.00 0.00 0.00 0.00 61.98 63.44 1uxl s VAL 97 Cb -0.19 -4.02 0.13 0.00 0.00 0.00 0.00 36.38 32.30 1uxl s VAL 97 CO 0.11 0.19 0.33 -0.55 0.00 0.00 0.00 175.10 175.18 1uxl s SER 98 N 0.94 0.90 0.04 3.32 0.15 -1.25 -1.80 113.70 116.00 1uxl s SER 98 Ca 0.35 -0.27 0.02 0.00 0.70 0.00 0.00 55.95 56.74 1uxl s SER 98 Cb -0.17 0.80 -0.02 0.00 -1.71 0.00 0.00 66.02 64.92 1uxl s SER 98 CO 0.15 -0.34 -0.06 -0.63 1.20 0.00 0.00 173.24 173.55 1uxl s ILE 99 N 2.45 0.41 -0.04 6.45 1.01 0.09 -5.01 121.20 126.56 1uxl s ILE 99 Ca 0.10 -1.04 0.04 0.00 0.00 0.00 0.00 60.65 59.75 1uxl s ILE 99 Cb -0.14 -0.52 -0.00 0.00 0.01 0.00 0.00 42.46 41.81 1uxl s ILE 99 CO -0.23 -0.43 -0.16 -1.61 0.00 0.00 0.00 174.94 172.52 1uxl s GLU 100 N -1.57 1.60 -0.00 2.79 2.02 -1.26 -0.88 118.70 121.39 1uxl s GLU 100 Ca -0.12 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.33 1uxl s GLU 100 Cb -0.10 -1.41 0.01 0.00 0.10 0.00 0.00 34.13 32.73 1uxl s GLU 100 CO -0.00 0.23 0.01 0.34 0.02 0.00 0.00 175.26 175.85 1uxl s ASP 101 N 0.04 0.03 0.00 -0.19 2.15 -0.17 -4.96 116.67 113.56 1uxl s ASP 101 Ca -0.03 0.01 0.13 0.00 0.43 0.00 0.00 52.55 53.08 1uxl s ASP 101 Cb -0.11 -0.02 0.35 0.00 -0.30 0.00 0.00 42.92 42.85 1uxl s ASP 101 CO 0.02 -0.03 1.28 -1.54 -0.17 0.00 0.00 175.17 174.73 1uxl n SER 102 N 3.32 3.05 -0.13 -0.34 3.41 -1.26 -0.02 113.62 121.65 1uxl n SER 102 Ca -0.16 -1.98 -0.23 0.00 -0.26 0.00 0.00 58.87 56.24 1uxl n SER 102 Cb 0.58 -0.26 -0.10 0.00 -0.26 0.00 0.00 64.21 64.16 1uxl n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1uxl n VAL 103 N 0.70 1.43 -1.29 -3.33 0.31 -1.26 -4.88 118.33 110.01 1uxl n VAL 103 Ca 0.13 -0.44 -0.31 0.00 -0.01 0.00 0.00 64.34 63.71 1uxl n VAL 103 Cb 0.45 -1.65 0.09 0.00 -0.91 0.00 0.00 33.84 31.82 1uxl n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1uxl s ILE 104 N -2.49 3.38 0.04 2.52 -4.36 -1.26 -4.98 121.20 114.05 1uxl s ILE 104 Ca -0.35 0.45 -0.08 0.00 -0.26 0.00 0.00 60.65 60.40 1uxl s ILE 104 Cb 0.12 -2.95 -0.00 0.00 1.25 0.00 0.00 42.46 40.87 1uxl s ILE 104 CO 0.51 -0.58 0.17 -0.55 0.24 0.00 0.00 174.94 174.73 1uxl s SER 105 N -3.41 0.08 0.00 4.36 0.15 -1.25 -4.62 113.70 109.01 1uxl s SER 105 Ca 0.61 -0.44 0.23 0.00 0.70 0.00 0.00 55.95 57.05 1uxl s SER 105 Cb -0.17 0.28 0.59 0.00 -1.71 0.00 0.00 66.02 65.01 1uxl s SER 105 CO 0.56 -0.56 1.50 0.18 1.20 0.00 0.00 173.24 176.12 1uxl n LEU 106 N 0.64 3.84 -3.73 3.45 4.77 -1.26 -1.12 117.00 123.59 1uxl n LEU 106 Ca -0.19 -1.87 -0.14 0.00 -0.03 0.00 0.00 56.01 53.78 1uxl n LEU 106 Cb 0.59 -0.43 -0.08 0.00 -2.33 0.00 0.00 43.42 41.17 1uxl n LEU 106 CO 0.22 0.93 0.08 -0.94 -1.33 0.00 0.00 177.39 176.35 1uxl s SER 107 N -1.12 -0.28 0.11 -1.43 1.04 -1.26 -4.81 113.70 105.95 1uxl s SER 107 Ca 0.46 0.25 0.00 0.00 0.48 0.00 0.00 55.95 57.14 1uxl s SER 107 Cb 0.25 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1uxl s SER 107 CO 0.33 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1uxl n GLY 108 N 1.42 -0.58 0.26 7.32 0.00 -1.26 -3.88 105.19 108.47 1uxl n GLY 108 Ca -0.20 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 44.81 1uxl n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1uxl h ASP 109 N 5.45 0.00 -0.28 1.61 3.45 -2.03 -2.03 116.42 122.59 1uxl h ASP 109 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1uxl h ASP 109 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1uxl h ASP 109 CO 0.00 0.12 0.00 1.41 -1.57 0.00 0.00 179.24 179.20 1uxl n HIS 110 N -3.73 0.35 -1.98 4.55 8.25 -1.26 -4.92 115.22 116.48 1uxl n HIS 110 Ca -0.02 -0.18 -0.41 0.00 -0.26 0.00 0.00 57.72 56.85 1uxl n HIS 110 Cb 0.22 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.31 1uxl n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1uxl n ILE 112 N 2.36 0.03 -1.71 0.00 -5.35 -0.27 -4.90 119.36 109.52 1uxl n ILE 112 Ca 0.07 -0.04 -0.43 0.00 -0.27 0.00 0.00 62.75 62.08 1uxl n ILE 112 Cb 0.40 0.42 -0.02 0.00 -1.74 0.00 0.00 39.64 38.69 1uxl n ILE 112 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1uxl n THR 113 N -1.58 0.81 -0.60 7.28 -1.04 -1.26 -1.23 114.28 116.67 1uxl n THR 113 Ca 0.05 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1uxl n THR 113 Cb 0.35 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.13 1uxl n THR 113 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uxl n GLY 114 N 2.43 0.91 0.89 3.41 0.00 0.94 -4.99 105.19 108.79 1uxl n GLY 114 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 1uxl n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uxl n ARG 115 N -2.00 1.13 -4.88 1.61 1.74 -0.36 -2.93 116.66 110.97 1uxl n ARG 115 Ca 0.00 -0.77 -0.33 0.00 -0.77 0.00 0.00 57.85 55.99 1uxl n ARG 115 Cb 0.00 0.02 -0.15 0.00 -1.02 0.00 0.00 32.46 31.32 1uxl n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1uxl s THR 116 N -0.28 2.87 -0.08 0.55 2.01 -1.06 -0.28 115.64 119.36 1uxl s THR 116 Ca 0.10 -0.74 -0.17 0.00 0.31 0.00 0.00 61.69 61.19 1uxl s THR 116 Cb -0.01 -2.18 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 1uxl s THR 116 CO 0.07 0.54 0.46 -0.22 -0.69 0.00 0.00 174.62 174.78 1uxl s LEU 117 N 0.21 4.34 -0.03 4.42 2.96 -0.19 0.30 118.68 130.68 1uxl s LEU 117 Ca -0.10 0.87 0.05 0.00 -0.22 0.00 0.00 54.13 54.73 1uxl s LEU 117 Cb -0.16 -2.68 -0.01 0.00 0.50 0.00 0.00 46.19 43.85 1uxl s LEU 117 CO 0.06 0.09 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.31 1uxl s VAL 118 N 0.12 1.47 -0.10 1.68 1.01 0.41 -2.05 120.40 122.94 1uxl s VAL 118 Ca 0.25 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 1uxl s VAL 118 Cb -0.16 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1uxl s VAL 118 CO 0.11 0.42 -0.06 0.54 0.00 0.00 0.00 175.10 176.11 1uxl s VAL 119 N -0.13 3.70 0.36 2.92 0.11 -0.56 -1.45 120.40 125.36 1uxl s VAL 119 Ca -0.00 -0.46 0.08 0.00 -2.93 0.00 0.00 61.98 58.67 1uxl s VAL 119 Cb -0.10 -2.55 -0.03 0.00 -1.53 0.00 0.00 36.38 32.17 1uxl s VAL 119 CO 0.01 0.56 0.30 -1.00 -3.33 0.00 0.00 175.10 171.65 1uxl s HIS 120 N -0.40 2.81 0.14 1.54 3.76 0.08 -1.07 115.29 122.15 1uxl s HIS 120 Ca 0.06 -0.38 -0.14 0.00 -0.15 0.00 0.00 55.06 54.45 1uxl s HIS 120 Cb -0.12 -1.91 0.00 0.00 1.11 0.00 0.00 32.58 31.66 1uxl s HIS 120 CO 0.02 0.10 1.61 1.49 -0.85 0.00 0.00 174.74 177.11 1uxl h GLU 121 N 1.21 0.75 -5.17 1.40 4.81 -0.47 -3.38 114.58 113.73 1uxl h GLU 121 Ca -0.43 -0.21 -0.68 0.00 -0.13 0.00 0.00 59.36 57.90 1uxl h GLU 121 Cb 1.26 -0.08 -0.13 0.00 0.63 0.00 0.00 28.75 30.43 1uxl h GLU 121 CO 0.59 0.79 -0.51 0.15 -0.73 0.00 0.00 179.01 179.30 1uxl s LYS 122 N -5.13 2.19 0.53 1.92 1.02 0.10 -4.90 119.74 115.47 1uxl s LYS 122 Ca -0.13 -2.40 -0.20 0.00 0.02 0.00 0.00 55.97 53.26 1uxl s LYS 122 Cb 0.11 -1.47 -0.06 0.00 -0.52 0.00 0.00 37.83 35.88 1uxl s LYS 122 CO 0.79 -0.38 1.11 0.00 -0.92 0.00 0.00 175.35 175.95 1uxl s ALA 123 N -2.90 2.74 -0.07 5.17 0.00 -1.14 -1.00 121.76 124.56 1uxl s ALA 123 Ca 0.05 0.78 -0.24 0.00 0.00 0.00 0.00 51.96 52.55 1uxl s ALA 123 Cb 0.01 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 1uxl s ALA 123 CO 0.03 -0.66 0.75 0.34 0.00 0.00 0.00 175.76 176.21 1uxl s ASP 124 N -1.81 7.04 -0.00 0.00 -1.08 -1.26 -4.01 116.67 115.54 1uxl s ASP 124 Ca 0.71 1.25 0.04 0.00 -0.52 0.00 0.00 52.55 54.04 1uxl s ASP 124 Cb -0.22 -2.44 0.13 0.00 -1.46 0.00 0.00 42.92 38.93 1uxl s ASP 124 CO 0.25 -0.16 1.07 -0.90 0.52 0.00 0.00 175.17 175.95 1uxl n ASP 125 N 3.92 0.86 -1.86 -0.34 5.68 0.81 -4.86 116.55 120.76 1uxl n ASP 125 Ca 0.00 -2.02 -0.20 0.00 -0.50 0.00 0.00 54.79 52.07 1uxl n ASP 125 Cb 0.51 -0.14 -0.06 0.00 -1.14 0.00 0.00 41.12 40.30 1uxl n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1uxl n LEU 126 N -0.07 -1.66 0.00 -2.12 4.77 -1.26 -1.98 117.00 114.68 1uxl n LEU 126 Ca 0.05 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1uxl n LEU 126 Cb 0.15 -2.85 0.00 0.00 -2.33 0.00 0.00 43.42 38.39 1uxl n LEU 126 CO 0.03 -0.74 0.00 0.61 -1.33 0.00 0.00 177.39 175.96 1uxl n GLY 127 N -0.67 0.63 1.09 -0.72 0.00 -1.25 -3.27 105.19 100.99 1uxl n GLY 127 Ca -0.22 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 1uxl n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uxl n LYS 128 N -2.73 1.97 0.17 1.61 5.02 -0.84 -4.56 118.16 118.80 1uxl n LYS 128 Ca 0.00 -3.13 0.13 0.00 -2.02 0.00 0.00 58.31 53.30 1uxl n LYS 128 Cb 0.00 -1.81 0.39 0.00 -0.02 0.00 0.00 35.03 33.59 1uxl n LYS 128 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1uxl h GLY 129 N 1.08 0.00 0.00 0.72 0.00 -1.89 -3.47 103.07 99.50 1uxl h GLY 129 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1uxl h GLY 129 CO 0.35 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.50 1uxl n GLY 130 N 0.83 0.51 3.06 4.60 0.00 -1.26 -5.03 105.19 107.91 1uxl n GLY 130 Ca 0.04 -0.86 -0.08 0.00 0.00 0.00 0.00 46.02 45.13 1uxl n GLY 130 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1uxl s ASN 131 N -2.78 0.42 0.24 1.61 2.47 -1.26 -5.06 114.94 110.58 1uxl s ASN 131 Ca 0.00 -0.86 -0.05 0.00 0.42 0.00 0.00 52.86 52.37 1uxl s ASN 131 Cb 0.00 0.18 0.39 0.00 -1.45 0.00 0.00 41.25 40.37 1uxl s ASN 131 CO 0.00 -0.52 1.79 -0.08 -3.72 0.00 0.00 177.10 174.57 1uxl h GLU 132 N 3.54 0.68 -0.92 0.43 4.81 -2.01 -1.23 114.58 119.88 1uxl h GLU 132 Ca -0.33 -0.04 0.13 0.00 -0.13 0.00 0.00 59.36 58.98 1uxl h GLU 132 Cb 1.16 -0.15 -0.07 0.00 0.63 0.00 0.00 28.75 30.31 1uxl h GLU 132 CO 0.59 0.45 0.59 0.93 -0.73 0.00 0.00 179.01 180.85 1uxl h GLU 133 N 0.70 0.79 -0.73 1.92 4.39 -2.00 -0.63 114.58 119.03 1uxl h GLU 133 Ca 0.39 -0.05 0.08 0.00 0.34 0.00 0.00 59.36 60.12 1uxl h GLU 133 Cb 0.40 -0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 28.82 1uxl h GLU 133 CO -0.27 0.52 0.48 1.03 -1.16 0.00 0.00 179.01 179.62 1uxl h SER 134 N 0.82 0.61 1.56 1.42 0.87 -1.58 0.12 113.55 117.37 1uxl h SER 134 Ca 0.46 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 61.00 1uxl h SER 134 Cb 0.60 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1uxl h SER 134 CO -0.22 0.38 -0.12 0.71 -0.53 0.00 0.00 176.83 177.05 1uxl h THR 135 N 0.68 0.23 0.00 2.23 1.35 -1.13 -2.21 112.91 114.06 1uxl h THR 135 Ca 0.33 -1.13 -0.31 0.00 -0.55 0.00 0.00 66.41 64.75 1uxl h THR 135 Cb 0.39 1.94 -0.05 0.00 -1.73 0.00 0.00 68.15 68.70 1uxl h THR 135 CO -0.11 0.12 -1.66 0.29 -0.25 0.00 0.00 175.52 173.90 1uxl n LYS 136 N -3.16 0.57 0.00 4.72 5.02 -0.56 0.11 118.16 124.86 1uxl n LYS 136 Ca 0.02 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1uxl n LYS 136 Cb 0.51 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1uxl n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1uxl n THR 137 N -4.37 0.00 -1.00 -0.18 -2.24 0.31 -4.64 114.28 102.15 1uxl n THR 137 Ca -0.39 -0.27 -0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1uxl n THR 137 Cb 0.75 0.80 -0.00 0.00 -2.10 0.00 0.00 70.33 69.78 1uxl n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uxl n GLY 138 N 1.18 0.48 3.92 3.38 0.00 -0.83 -4.01 105.19 109.32 1uxl n GLY 138 Ca 0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1uxl n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uxl n ASN 139 N 0.24 -4.03 -0.35 1.61 4.13 -1.26 -0.14 115.26 115.47 1uxl n ASN 139 Ca -0.00 -0.82 0.14 0.00 1.68 0.00 0.00 54.58 55.58 1uxl n ASN 139 Cb 0.01 -3.75 0.60 0.00 -1.54 0.00 0.00 39.78 35.10 1uxl n ASN 139 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1uxl n ALA 140 N -4.60 2.60 -0.02 5.41 0.00 -1.26 -4.75 120.51 117.90 1uxl n ALA 140 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1uxl n ALA 140 Cb 0.55 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1uxl n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uxl n GLY 141 N 1.10 -0.87 3.78 0.00 0.00 -1.26 0.00 105.19 107.94 1uxl n GLY 141 Ca 0.19 -1.20 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 1uxl n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uxl s SER 142 N -4.00 4.61 -0.45 1.61 1.04 -1.26 -4.60 113.70 110.65 1uxl s SER 142 Ca 0.00 1.72 -0.23 0.00 0.48 0.00 0.00 55.95 57.93 1uxl s SER 142 Cb 0.00 -2.46 0.03 0.00 0.10 0.00 0.00 66.02 63.68 1uxl s SER 142 CO 0.00 -1.95 0.78 -0.13 0.98 0.00 0.00 173.24 172.92 1uxl s ARG 143 N -4.95 3.39 0.01 4.02 0.52 -1.26 -0.43 118.95 120.25 1uxl s ARG 143 Ca 0.61 -0.13 -0.09 0.00 -0.52 0.00 0.00 55.73 55.59 1uxl s ARG 143 Cb -0.16 -3.94 -0.31 0.00 0.52 0.00 0.00 34.95 31.05 1uxl s ARG 143 CO 0.56 -1.13 0.89 -0.07 0.02 0.00 0.00 175.30 175.57 1uxl h LEU 144 N 10.14 0.60 -7.26 2.53 3.38 -1.40 -3.47 115.31 119.82 1uxl h LEU 144 Ca -0.25 -0.75 -0.07 0.00 0.09 0.00 0.00 57.88 56.91 1uxl h LEU 144 Cb 1.09 -0.19 -0.16 0.00 0.09 0.00 0.00 40.66 41.48 1uxl h LEU 144 CO 0.96 1.61 -0.01 0.00 0.09 0.00 0.00 178.44 181.09 1uxl s ALA 145 N -2.61 -1.21 0.24 1.53 0.00 -1.16 -4.18 121.76 114.38 1uxl s ALA 145 Ca -0.10 0.48 -0.20 0.00 0.00 0.00 0.00 51.96 52.14 1uxl s ALA 145 Cb 0.06 0.39 0.03 0.00 0.00 0.00 0.00 23.12 23.59 1uxl s ALA 145 CO 0.89 -0.50 0.65 0.00 0.00 0.00 0.00 175.76 176.80 1uxl s GLY 147 N -2.89 -0.55 0.14 0.00 0.00 -0.87 -1.17 107.32 101.98 1uxl s GLY 147 Ca 0.10 0.73 -0.27 0.00 0.00 0.00 0.00 44.72 45.27 1uxl s GLY 147 CO 0.02 0.25 0.85 0.14 0.00 0.00 0.00 173.10 174.36 1uxl s VAL 148 N -3.43 4.41 -0.26 1.40 1.01 -1.26 -1.02 120.40 121.24 1uxl s VAL 148 Ca 0.02 1.86 -0.28 0.00 0.00 0.00 0.00 61.98 63.58 1uxl s VAL 148 Cb -0.01 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 32.16 1uxl s VAL 148 CO -0.11 0.44 1.00 -0.63 0.00 0.00 0.00 175.10 175.80 1uxl s ILE 149 N -0.67 4.66 0.22 2.22 1.01 0.61 -4.49 121.20 124.76 1uxl s ILE 149 Ca 0.40 1.83 0.10 0.00 0.00 0.00 0.00 60.65 62.98 1uxl s ILE 149 Cb -0.23 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 37.89 1uxl s ILE 149 CO 0.28 -0.25 -0.12 -0.83 0.00 0.00 0.00 174.94 174.01 1uxl s GLY 150 N 1.38 1.74 0.14 6.18 0.00 0.02 -0.04 107.32 116.74 1uxl s GLY 150 Ca 0.42 -1.63 -0.31 0.00 0.00 0.00 0.00 44.72 43.20 1uxl s GLY 150 CO 0.09 -1.67 1.50 -0.42 0.00 0.00 0.00 173.10 172.60 1uxl s ILE 151 N -2.01 2.89 0.28 0.90 1.01 -1.26 -0.41 121.20 122.60 1uxl s ILE 151 Ca 0.27 0.64 0.11 0.00 0.00 0.00 0.00 60.65 61.66 1uxl s ILE 151 Cb -0.07 -3.41 -0.05 0.00 0.01 0.00 0.00 42.46 38.94 1uxl s ILE 151 CO 0.15 0.05 -0.09 0.00 0.00 0.00 0.00 174.94 175.05 1uxl s ALA 152 N 1.14 2.98 -2.00 9.38 0.00 -0.35 -4.77 121.76 128.13 1uxl s ALA 152 Ca 0.68 -1.80 0.21 0.00 0.00 0.00 0.00 51.96 51.06 1uxl s ALA 152 Cb -0.41 -0.49 1.28 0.00 0.00 0.00 0.00 23.12 23.50 1uxl s ALA 152 CO 0.31 0.25 1.66 0.94 0.00 0.00 0.00 175.76 178.91