#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 4.93 0.05 0.00 -1.32 -0.15 -4.90 115.64 114.25 1uxl s THR 2 Ca 0.00 0.71 0.04 0.00 -1.21 0.00 0.00 61.69 61.22 1uxl s THR 2 Cb 0.00 -3.71 -0.02 0.00 -1.51 0.00 0.00 72.50 67.26 1uxl s THR 2 CO 0.00 0.24 -0.11 -0.54 -2.21 0.00 0.00 174.62 172.00 1uxl s LYS 3 N -1.98 0.69 0.17 7.08 1.02 -1.26 -0.51 119.74 124.94 1uxl s LYS 3 Ca 0.37 -0.80 -0.02 0.00 0.02 0.00 0.00 55.97 55.53 1uxl s LYS 3 Cb -0.15 -0.60 -0.04 0.00 -0.52 0.00 0.00 37.83 36.53 1uxl s LYS 3 CO 0.19 0.13 0.12 0.00 -0.92 0.00 0.00 175.35 174.87 1uxl s ALA 4 N -1.19 0.85 0.05 5.17 0.00 -0.34 -1.49 121.76 124.81 1uxl s ALA 4 Ca -0.05 -1.48 -0.14 0.00 0.00 0.00 0.00 51.96 50.30 1uxl s ALA 4 Cb -0.09 1.07 0.02 0.00 0.00 0.00 0.00 23.12 24.12 1uxl s ALA 4 CO 0.01 -0.56 0.31 0.54 0.00 0.00 0.00 175.76 176.06 1uxl s VAL 5 N -4.08 0.08 -0.09 0.00 0.11 0.27 -0.87 120.40 115.83 1uxl s VAL 5 Ca 0.29 -0.68 -0.04 0.00 -2.93 0.00 0.00 61.98 58.62 1uxl s VAL 5 Cb 0.07 -0.96 0.04 0.00 -1.53 0.00 0.00 36.38 34.00 1uxl s VAL 5 CO 0.06 -0.37 0.19 0.00 -3.33 0.00 0.00 175.10 171.65 1uxl s VAL 7 N 1.46 5.28 -0.12 0.00 1.01 -1.26 -0.86 120.40 125.92 1uxl s VAL 7 Ca -0.07 -0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.73 1uxl s VAL 7 Cb -0.11 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1uxl s VAL 7 CO -0.07 0.09 0.42 -0.76 0.00 0.00 0.00 175.10 174.79 1uxl s LEU 8 N 1.77 4.28 0.02 3.92 1.43 0.61 -3.94 118.68 126.77 1uxl s LEU 8 Ca 0.07 0.74 -0.07 0.00 -1.03 0.00 0.00 54.13 53.84 1uxl s LEU 8 Cb -0.17 -2.60 -0.00 0.00 0.03 0.00 0.00 46.19 43.45 1uxl s LEU 8 CO 0.11 0.04 0.12 -0.54 0.23 0.00 0.00 176.35 176.31 1uxl s LYS 9 N 0.50 0.54 0.00 1.70 1.02 -0.55 -2.01 119.74 120.94 1uxl s LYS 9 Ca 0.23 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.64 1uxl s LYS 9 Cb -0.15 0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 1uxl s LYS 9 CO 0.09 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.79 1uxl n GLY 10 N 1.09 3.65 0.04 -3.33 0.00 -1.23 -1.03 105.19 104.38 1uxl n GLY 10 Ca -0.21 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 44.81 1uxl n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uxl n ASP 11 N -0.57 0.60 0.00 1.61 8.00 -1.26 -4.89 116.55 120.03 1uxl n ASP 11 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.55 1uxl n ASP 11 Cb 0.00 0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 1uxl n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uxl n GLY 12 N 1.40 4.77 0.32 0.44 0.00 -1.26 -5.03 105.19 105.82 1uxl n GLY 12 Ca 0.04 -1.99 0.11 0.00 0.00 0.00 0.00 46.02 44.18 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 1.42 -2.58 1.61 -0.04 -1.26 -4.88 135.00 129.27 1uxl n PRO 13 Ca 0.00 -0.63 -0.43 0.00 -0.04 0.00 0.00 63.50 62.40 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 -1.91 4.55 0.06 0.52 1.01 -1.26 -4.25 120.40 119.13 1uxl s VAL 14 Ca 0.33 1.85 -0.20 0.00 0.00 0.00 0.00 61.98 63.96 1uxl s VAL 14 Cb 0.17 -4.19 0.04 0.00 0.00 0.00 0.00 36.38 32.40 1uxl s VAL 14 CO 0.27 -0.05 0.46 0.00 0.00 0.00 0.00 175.10 175.78 1uxl s GLN 15 N 2.52 1.00 -0.10 2.72 -2.07 -0.98 -3.57 119.66 119.18 1uxl s GLN 15 Ca 0.50 -0.36 -0.31 0.00 -1.82 0.00 0.00 55.36 53.37 1uxl s GLN 15 Cb -0.20 0.45 0.11 0.00 -1.09 0.00 0.00 33.01 32.28 1uxl s GLN 15 CO 0.16 -0.36 1.39 0.20 -1.32 0.00 0.00 175.29 175.36 1uxl s GLY 16 N -2.12 -0.26 -0.10 2.60 0.00 -0.85 -0.67 107.32 105.92 1uxl s GLY 16 Ca -0.04 0.27 0.01 0.00 0.00 0.00 0.00 44.72 44.96 1uxl s GLY 16 CO -0.04 6.15 -0.12 -0.42 0.00 0.00 0.00 173.10 178.67 1uxl s ILE 17 N -2.00 1.22 -0.10 0.90 1.01 -1.00 -0.28 121.20 120.94 1uxl s ILE 17 Ca 0.30 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.52 1uxl s ILE 17 Cb 0.01 -1.15 -0.00 0.00 0.01 0.00 0.00 42.46 41.33 1uxl s ILE 17 CO -0.03 0.39 -0.23 -0.63 0.00 0.00 0.00 174.94 174.43 1uxl s ILE 18 N 1.11 2.17 0.03 2.92 -1.09 -0.04 -2.67 121.20 123.64 1uxl s ILE 18 Ca -0.05 -0.98 -0.01 0.00 -2.23 0.00 0.00 60.65 57.38 1uxl s ILE 18 Cb -0.14 -1.83 -0.04 0.00 -1.58 0.00 0.00 42.46 38.86 1uxl s ILE 18 CO -0.02 0.56 0.17 0.20 -1.23 0.00 0.00 174.94 174.62 1uxl s ASN 19 N 0.29 6.19 -0.02 3.58 -0.87 0.11 -0.88 114.94 123.34 1uxl s ASN 19 Ca -0.17 0.25 0.04 0.00 -1.57 0.00 0.00 52.86 51.42 1uxl s ASN 19 Cb -0.17 -1.88 -0.01 0.00 -0.02 0.00 0.00 41.25 39.17 1uxl s ASN 19 CO 0.08 0.21 -0.15 -0.36 -2.57 0.00 0.00 177.10 174.32 1uxl s PHE 20 N -1.39 1.38 -0.04 2.20 0.40 -0.05 -1.26 117.98 119.22 1uxl s PHE 20 Ca 0.30 -0.31 -0.02 0.00 -0.60 0.00 0.00 56.93 56.31 1uxl s PHE 20 Cb -0.13 -0.91 0.02 0.00 0.51 0.00 0.00 43.02 42.52 1uxl s PHE 20 CO 0.22 -0.07 0.09 -2.00 0.70 0.00 0.00 175.22 174.17 1uxl s GLU 21 N -0.19 0.06 -0.26 0.44 2.12 -0.34 -1.20 118.70 119.32 1uxl s GLU 21 Ca 0.02 0.22 -0.02 0.00 0.36 0.00 0.00 54.97 55.55 1uxl s GLU 21 Cb -0.07 -0.11 0.08 0.00 0.26 0.00 0.00 34.13 34.29 1uxl s GLU 21 CO 0.00 -0.11 0.08 -1.14 -0.54 0.00 0.00 175.26 173.55 1uxl s GLN 22 N 0.70 0.63 0.24 4.30 0.74 0.33 -0.82 119.66 125.78 1uxl s GLN 22 Ca -0.06 -0.75 -0.07 0.00 0.05 0.00 0.00 55.36 54.54 1uxl s GLN 22 Cb -0.08 -1.92 0.23 0.00 1.10 0.00 0.00 33.01 32.35 1uxl s GLN 22 CO -0.03 -0.86 1.90 0.87 -0.55 0.00 0.00 175.29 176.63 1uxl h LYS 23 N 8.19 1.27 -5.40 1.67 1.79 -1.83 -0.37 116.57 121.90 1uxl h LYS 23 Ca -0.16 -0.10 -0.48 0.00 -2.18 0.00 0.00 60.65 57.73 1uxl h LYS 23 Cb 1.05 -0.28 -0.27 0.00 -1.58 0.00 0.00 32.23 31.15 1uxl h LYS 23 CO 0.42 0.87 -0.81 -1.21 -1.08 0.00 0.00 179.45 177.63 1uxl s GLU 24 N -6.04 1.11 0.58 3.15 0.41 -1.26 -4.32 118.70 112.33 1uxl s GLU 24 Ca -0.13 -0.64 0.32 0.00 -0.41 0.00 0.00 54.97 54.11 1uxl s GLU 24 Cb 0.17 -1.10 1.78 0.00 -1.78 0.00 0.00 34.13 33.20 1uxl s GLU 24 CO 0.82 0.29 2.20 0.66 -0.49 0.00 0.00 175.26 178.74 1uxl h SER 25 N 5.41 0.00 -0.39 -0.19 4.64 -1.98 0.26 113.55 121.30 1uxl h SER 25 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1uxl h SER 25 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1uxl h SER 25 CO 0.47 0.04 0.00 -0.46 -0.87 0.00 0.00 176.83 176.01 1uxl n ASN 26 N -3.61 4.38 -4.87 4.97 6.94 -1.26 -4.91 115.26 116.90 1uxl n ASN 26 Ca -0.02 -2.84 -0.26 0.00 -0.02 0.00 0.00 54.58 51.43 1uxl n ASN 26 Cb 0.15 -0.56 -0.02 0.00 -2.36 0.00 0.00 39.78 36.99 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 -1.44 2.41 0.76 4.83 0.00 0.08 -5.12 107.32 108.83 1uxl s GLY 27 Ca 0.45 -1.31 -0.11 0.00 0.00 0.00 0.00 44.72 43.75 1uxl s GLY 27 CO 0.13 -1.94 1.09 2.56 0.00 0.00 0.00 173.10 174.94 1uxl s PRO 28 N -4.20 2.34 -0.20 2.90 0.04 -1.26 -4.84 135.00 129.77 1uxl s PRO 28 Ca 0.33 1.16 -0.06 0.00 0.04 0.00 0.00 61.00 62.47 1uxl s PRO 28 Cb -0.01 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 1uxl s PRO 28 CO 0.20 -1.58 0.03 0.08 0.04 0.00 0.00 177.00 175.77 1uxl s VAL 29 N -2.89 4.30 0.02 -0.36 1.01 0.06 -4.34 120.40 118.21 1uxl s VAL 29 Ca 0.61 -0.20 -0.22 0.00 0.00 0.00 0.00 61.98 62.18 1uxl s VAL 29 Cb -0.17 -2.95 -0.06 0.00 0.00 0.00 0.00 36.38 33.20 1uxl s VAL 29 CO 0.55 0.43 0.65 -0.54 0.00 0.00 0.00 175.10 176.19 1uxl s LYS 30 N 0.83 4.37 -0.12 2.72 1.02 -0.00 -1.27 119.74 127.29 1uxl s LYS 30 Ca 0.02 0.85 0.01 0.00 0.02 0.00 0.00 55.97 56.87 1uxl s LYS 30 Cb -0.14 -3.34 0.02 0.00 -0.52 0.00 0.00 37.83 33.86 1uxl s LYS 30 CO 0.02 0.38 -0.12 0.08 -0.92 0.00 0.00 175.35 174.79 1uxl s VAL 31 N -0.27 1.32 0.05 3.17 1.01 0.50 -1.20 120.40 124.98 1uxl s VAL 31 Ca 0.33 -0.50 -0.22 0.00 0.00 0.00 0.00 61.98 61.59 1uxl s VAL 31 Cb -0.19 -1.26 0.05 0.00 0.00 0.00 0.00 36.38 34.98 1uxl s VAL 31 CO 0.19 0.41 0.52 -1.66 0.00 0.00 0.00 175.10 174.57 1uxl s TRP 32 N 1.36 -0.43 -5.00 5.22 -2.14 -0.39 -0.52 118.94 117.05 1uxl s TRP 32 Ca 0.00 0.47 0.00 0.00 2.66 0.00 0.00 56.10 59.23 1uxl s TRP 32 Cb -0.14 0.34 0.00 0.00 -3.10 0.00 0.00 33.47 30.58 1uxl s TRP 32 CO -0.06 -0.65 0.00 0.41 -2.66 0.00 0.00 176.95 173.99 1uxl n GLY 33 N 0.40 -0.79 3.06 3.67 0.00 -0.90 0.09 105.19 110.71 1uxl n GLY 33 Ca -0.18 -1.28 -0.23 0.00 0.00 0.00 0.00 46.02 44.33 1uxl n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uxl s SER 34 N -4.00 1.65 -0.12 1.61 0.15 -1.09 -0.15 113.70 111.74 1uxl s SER 34 Ca 0.00 -0.26 0.03 0.00 0.70 0.00 0.00 55.95 56.42 1uxl s SER 34 Cb 0.00 -0.49 0.01 0.00 -1.71 0.00 0.00 66.02 63.83 1uxl s SER 34 CO 0.00 0.10 -0.23 -0.63 1.20 0.00 0.00 173.24 173.68 1uxl s ILE 35 N 0.19 2.07 0.44 6.45 1.01 0.04 -2.38 121.20 129.02 1uxl s ILE 35 Ca -0.05 -0.99 0.07 0.00 0.00 0.00 0.00 60.65 59.68 1uxl s ILE 35 Cb -0.11 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 1uxl s ILE 35 CO 0.01 0.55 0.26 -1.59 0.00 0.00 0.00 174.94 174.18 1uxl s LYS 36 N 0.62 2.31 0.00 2.79 -2.85 0.15 -0.20 119.74 122.56 1uxl s LYS 36 Ca -0.12 -1.82 0.00 0.00 -1.00 0.00 0.00 55.97 53.03 1uxl s LYS 36 Cb -0.17 -2.08 0.00 0.00 -2.06 0.00 0.00 37.83 33.52 1uxl s LYS 36 CO 0.03 -0.23 0.00 0.41 0.10 0.00 0.00 175.35 175.65 1uxl n GLY 37 N -1.41 0.46 3.92 0.59 0.00 -0.77 -2.33 105.19 105.64 1uxl n GLY 37 Ca -0.01 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 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 4.29 0.49 0.99 1.43 -0.63 -4.19 118.68 121.06 1uxl s LEU 38 Ca 0.00 0.38 -0.21 0.00 -1.03 0.00 0.00 54.13 53.27 1uxl s LEU 38 Cb 0.00 -3.11 -0.08 0.00 0.03 0.00 0.00 46.19 43.03 1uxl s LEU 38 CO 0.00 0.05 1.07 0.42 0.23 0.00 0.00 176.35 178.12 1uxl s THR 39 N -1.70 3.58 0.37 5.49 -4.23 -1.26 -4.26 115.64 113.62 1uxl s THR 39 Ca 0.38 1.02 -0.28 0.00 -1.18 0.00 0.00 61.69 61.62 1uxl s THR 39 Cb -0.12 -3.43 -0.11 0.00 1.34 0.00 0.00 72.50 70.18 1uxl s THR 39 CO 0.28 -0.18 1.47 1.21 -0.54 0.00 0.00 174.62 176.86 1uxl n GLU 40 N -0.92 2.60 0.00 3.99 2.13 -1.26 -4.61 120.64 122.58 1uxl n GLU 40 Ca 0.09 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.83 1uxl n GLU 40 Cb 0.51 -2.63 0.00 0.00 0.27 0.00 0.00 31.44 29.60 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 0.64 -0.07 3.77 8.31 0.00 -0.20 -4.92 105.19 112.72 1uxl n GLY 41 Ca 0.02 -2.24 -0.39 0.00 0.00 0.00 0.00 46.02 43.41 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 4.59 -0.04 0.99 1.43 -1.26 -0.87 118.68 123.52 1uxl s LEU 42 Ca 0.00 1.77 -0.00 0.00 -1.03 0.00 0.00 54.13 54.87 1uxl s LEU 42 Cb 0.00 -3.48 0.03 0.00 0.03 0.00 0.00 46.19 42.76 1uxl s LEU 42 CO 0.00 0.16 -0.00 -1.00 0.23 0.00 0.00 176.35 175.74 1uxl s HIS 43 N -1.21 0.42 0.57 0.29 3.76 0.14 -2.92 115.29 116.33 1uxl s HIS 43 Ca 0.39 -0.04 -0.20 0.00 -0.15 0.00 0.00 55.06 55.06 1uxl s HIS 43 Cb -0.24 -0.52 -0.05 0.00 1.11 0.00 0.00 32.58 32.88 1uxl s HIS 43 CO 0.28 -0.18 1.21 0.41 -0.85 0.00 0.00 174.74 175.61 1uxl n GLY 44 N 4.42 0.35 2.74 -2.22 0.00 -0.02 -0.85 105.19 109.60 1uxl n GLY 44 Ca -0.21 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.36 -0.21 0.03 1.61 5.36 -0.02 -0.66 117.98 122.72 1uxl s PHE 45 Ca 0.74 0.18 -0.04 0.00 -0.96 0.00 0.00 56.93 56.85 1uxl s PHE 45 Cb -0.42 -0.40 -0.01 0.00 -0.34 0.00 0.00 43.02 41.85 1uxl s PHE 45 CO 0.48 -0.57 0.06 -1.01 -1.46 0.00 0.00 175.22 172.72 1uxl s HIS 46 N 2.30 0.22 -0.25 10.12 3.76 -0.66 -2.52 115.29 128.27 1uxl s HIS 46 Ca 0.06 -0.51 -0.18 0.00 -0.15 0.00 0.00 55.06 54.27 1uxl s HIS 46 Cb -0.15 -0.16 -0.03 0.00 1.11 0.00 0.00 32.58 33.34 1uxl s HIS 46 CO -0.11 -0.32 0.52 0.08 -0.85 0.00 0.00 174.74 174.06 1uxl s VAL 47 N -2.31 5.07 0.31 -0.90 1.01 -0.01 -1.13 120.40 122.45 1uxl s VAL 47 Ca -0.08 0.91 -0.03 0.00 0.00 0.00 0.00 61.98 62.79 1uxl s VAL 47 Cb -0.03 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1uxl s VAL 47 CO -0.03 0.10 0.55 -1.00 0.00 0.00 0.00 175.10 174.72 1uxl s HIS 48 N 2.16 3.49 0.18 5.22 3.76 0.12 -0.98 115.29 129.24 1uxl s HIS 48 Ca 0.22 0.52 -0.13 0.00 -0.15 0.00 0.00 55.06 55.52 1uxl s HIS 48 Cb -0.16 -2.02 0.09 0.00 1.11 0.00 0.00 32.58 31.60 1uxl s HIS 48 CO 0.09 0.14 1.84 1.49 -0.85 0.00 0.00 174.74 177.45 1uxl h GLU 49 N 1.29 0.78 -6.07 1.40 4.81 -0.54 -2.81 114.58 113.45 1uxl h GLU 49 Ca -0.48 -0.06 -0.68 0.00 -0.13 0.00 0.00 59.36 58.01 1uxl h GLU 49 Cb 1.20 -0.17 -0.17 0.00 0.63 0.00 0.00 28.75 30.23 1uxl h GLU 49 CO 0.64 0.53 -0.66 -0.06 -0.73 0.00 0.00 179.01 178.73 1uxl s PHE 50 N -6.09 3.03 -0.84 0.92 0.08 -0.27 -4.68 117.98 110.12 1uxl s PHE 50 Ca -0.13 0.09 -0.04 0.00 0.12 0.00 0.00 56.93 56.97 1uxl s PHE 50 Cb 0.13 -1.74 0.10 0.00 -0.57 0.00 0.00 43.02 40.94 1uxl s PHE 50 CO 0.76 0.39 2.55 0.41 -0.10 0.00 0.00 175.22 179.23 1uxl n GLY 51 N 2.20 4.81 3.12 4.36 0.00 -1.14 -3.61 105.19 114.93 1uxl n GLY 51 Ca -0.18 -2.00 -0.33 0.00 0.00 0.00 0.00 46.02 43.50 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 0.25 4.22 -0.16 1.61 -1.08 -1.26 -4.96 116.67 115.28 1uxl s ASP 52 Ca 0.56 -1.13 0.17 0.00 -0.52 0.00 0.00 52.55 51.63 1uxl s ASP 52 Cb 0.30 -1.58 0.46 0.00 -1.46 0.00 0.00 42.92 40.64 1uxl s ASP 52 CO -0.17 -0.15 1.35 -3.20 0.52 0.00 0.00 175.17 173.52 1uxl n ASN 53 N 4.54 3.47 0.26 -0.34 5.15 -1.26 -2.92 115.26 124.16 1uxl n ASN 53 Ca -0.16 -3.00 0.09 0.00 -0.60 0.00 0.00 54.58 50.90 1uxl n ASN 53 Cb 0.45 -0.50 0.65 0.00 -0.53 0.00 0.00 39.78 39.84 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 1.35 0.94 -0.96 -0.44 1.35 -1.93 -1.74 112.91 111.49 1uxl h THR 54 Ca 0.00 -0.20 -0.55 0.00 -0.55 0.00 0.00 66.41 65.11 1uxl h THR 54 Cb 1.31 1.11 -0.43 0.00 -1.73 0.00 0.00 68.15 68.42 1uxl h THR 54 CO 0.16 0.06 -0.81 0.00 -0.25 0.00 0.00 175.52 174.68 1uxl n ALA 55 N -2.48 4.94 -0.60 6.62 0.00 -1.26 -5.06 120.51 122.67 1uxl n ALA 55 Ca -0.03 -3.90 0.00 0.00 0.00 0.00 0.00 53.44 49.51 1uxl n ALA 55 Cb 0.14 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.18 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 -0.63 0.31 0.28 0.00 0.00 -0.65 -3.11 105.19 101.38 1uxl n GLY 56 Ca 0.41 -0.87 0.17 0.00 0.00 0.00 0.00 46.02 45.72 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 1.12 0.00 0.00 2.02 -1.88 -2.31 112.91 111.86 1uxl h THR 58 Ca -0.00 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1uxl h THR 58 Cb 0.43 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1uxl h THR 58 CO 0.01 0.13 0.00 -1.54 0.37 0.00 0.00 175.52 174.49 1uxl n SER 59 N -4.46 0.00 0.02 4.18 3.41 -1.12 -3.18 113.62 112.47 1uxl n SER 59 Ca 0.05 -1.03 0.09 0.00 -0.26 0.00 0.00 58.87 57.72 1uxl n SER 59 Cb 0.07 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.42 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 -0.94 1.83 -0.31 7.33 0.00 -0.87 -4.47 120.51 123.08 1uxl n ALA 60 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1uxl n ALA 60 Cb 0.09 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 0.38 -1.05 2.52 0.00 0.00 -1.19 -1.12 105.19 104.73 1uxl n GLY 61 Ca 0.04 -1.20 -0.18 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.19 -0.46 -1.87 1.61 -0.04 -1.26 -4.61 135.00 128.19 1uxl n PRO 62 Ca 0.00 -1.51 -0.40 0.00 -0.04 0.00 0.00 63.50 61.55 1uxl n PRO 62 Cb 0.00 -0.71 0.01 0.00 -0.04 0.00 0.00 33.50 32.76 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 -2.52 2.56 0.06 0.54 3.76 -1.26 -0.29 115.29 118.12 1uxl s HIS 63 Ca 0.47 1.30 -0.30 0.00 -0.15 0.00 0.00 55.06 56.37 1uxl s HIS 63 Cb -0.02 -3.86 -0.09 0.00 1.11 0.00 0.00 32.58 29.72 1uxl s HIS 63 CO 0.32 -2.72 1.85 0.12 -0.85 0.00 0.00 174.74 173.46 1uxl s PHE 64 N -1.21 1.76 -0.43 1.40 5.36 -0.15 -4.46 117.98 120.26 1uxl s PHE 64 Ca 0.60 -0.16 0.08 0.00 -0.96 0.00 0.00 56.93 56.49 1uxl s PHE 64 Cb -0.42 -4.16 0.29 0.00 -0.34 0.00 0.00 43.02 38.40 1uxl s PHE 64 CO 0.55 -4.96 0.82 -1.71 -1.46 0.00 0.00 175.22 168.46 1uxl n ASN 65 N 6.68 -1.03 0.20 6.13 5.15 -1.26 -1.57 115.26 129.55 1uxl n ASN 65 Ca 0.18 -3.19 0.14 0.00 -0.60 0.00 0.00 54.58 51.12 1uxl n ASN 65 Cb 0.40 0.62 0.64 0.00 -0.53 0.00 0.00 39.78 40.91 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 3.46 0.00 -0.38 1.20 0.13 -1.94 -2.13 132.00 132.34 1uxl h PRO 66 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1uxl h PRO 66 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1uxl h PRO 66 CO 0.35 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.40 1uxl n LEU 67 N -2.57 3.35 -3.70 1.56 4.77 -1.26 -4.99 117.00 114.16 1uxl n LEU 67 Ca 0.01 -1.44 -0.23 0.00 -0.03 0.00 0.00 56.01 54.32 1uxl n LEU 67 Cb 0.21 -0.24 0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1uxl n LEU 67 CO 0.20 0.72 -0.09 -1.20 -1.33 0.00 0.00 177.39 175.69 1uxl n SER 68 N 1.42 -2.13 -4.95 -1.43 7.64 -0.80 -5.00 113.62 108.37 1uxl n SER 68 Ca 0.19 -0.88 -0.22 0.00 1.01 0.00 0.00 58.87 58.98 1uxl n SER 68 Cb 0.59 -3.86 0.01 0.00 -1.01 0.00 0.00 64.21 59.94 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 -5.96 2.40 0.53 1.43 0.52 -1.26 -5.13 118.95 111.48 1uxl s ARG 69 Ca 0.12 -1.71 -0.05 0.00 -0.52 0.00 0.00 55.73 53.58 1uxl s ARG 69 Cb -0.03 -2.40 -0.01 0.00 0.52 0.00 0.00 34.95 33.03 1uxl s ARG 69 CO 0.83 -0.55 0.83 0.15 0.02 0.00 0.00 175.30 176.58 1uxl s LYS 70 N -4.36 3.14 0.32 3.54 1.02 -1.26 -4.74 119.74 117.39 1uxl s LYS 70 Ca 0.48 -0.02 -0.29 0.00 0.02 0.00 0.00 55.97 56.17 1uxl s LYS 70 Cb -0.04 -2.35 -0.10 0.00 -0.52 0.00 0.00 37.83 34.82 1uxl s LYS 70 CO 0.29 -0.47 1.29 -1.58 -0.92 0.00 0.00 175.35 173.96 1uxl s HIS 71 N -2.84 3.12 0.00 3.18 5.65 -0.25 -3.00 115.29 121.16 1uxl s HIS 71 Ca 0.51 1.43 0.00 0.00 0.25 0.00 0.00 55.06 57.25 1uxl s HIS 71 Cb -0.10 -3.63 0.00 0.00 -1.18 0.00 0.00 32.58 27.66 1uxl s HIS 71 CO 0.44 -1.72 0.00 0.41 -0.65 0.00 0.00 174.74 173.22 1uxl n GLY 72 N 0.95 3.04 3.93 1.59 0.00 -1.25 -4.40 105.19 109.06 1uxl n GLY 72 Ca 0.00 -1.28 -0.25 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.89 1.50 0.63 -0.02 0.00 -1.22 -4.68 107.32 102.64 1uxl s GLY 73 Ca 0.00 -0.76 0.39 0.00 0.00 0.00 0.00 44.72 44.35 1uxl s GLY 73 CO 0.00 -0.59 2.29 -0.56 0.00 0.00 0.00 173.10 174.24 1uxl h PRO 74 N 0.31 0.00 -0.00 2.90 0.13 -1.87 -1.63 132.00 131.83 1uxl h PRO 74 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1uxl h PRO 74 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1uxl h PRO 74 CO 0.60 0.01 -0.15 1.63 -0.23 0.00 0.00 178.00 179.86 1uxl n LYS 75 N -3.30 0.04 -3.06 0.86 5.02 -1.26 -4.88 118.16 111.57 1uxl n LYS 75 Ca -0.03 -0.01 -0.35 0.00 -2.02 0.00 0.00 58.31 55.91 1uxl n LYS 75 Cb 0.11 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.56 1uxl n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1uxl s ASP 76 N -2.97 6.99 0.15 4.39 1.01 -0.62 -4.97 116.67 120.65 1uxl s ASP 76 Ca 0.14 1.43 -0.12 0.00 0.71 0.00 0.00 52.55 54.72 1uxl s ASP 76 Cb 0.19 -2.43 0.01 0.00 1.01 0.00 0.00 42.92 41.70 1uxl s ASP 76 CO 0.58 -0.08 1.57 -0.08 0.21 0.00 0.00 175.17 177.37 1uxl h GLU 77 N 2.93 0.92 -5.44 8.23 4.81 -1.90 -3.37 114.58 120.76 1uxl h GLU 77 Ca -0.48 -0.34 -0.63 0.00 -0.13 0.00 0.00 59.36 57.79 1uxl h GLU 77 Cb 1.19 -0.06 -0.15 0.00 0.63 0.00 0.00 28.75 30.36 1uxl h GLU 77 CO 0.65 0.99 0.53 -2.00 -0.73 0.00 0.00 179.01 178.45 1uxl s GLU 78 N -4.86 3.12 0.17 1.92 2.56 -1.26 -4.93 118.70 115.41 1uxl s GLU 78 Ca -0.12 -0.82 -0.20 0.00 0.00 0.00 0.00 54.97 53.83 1uxl s GLU 78 Cb 0.12 -4.22 0.05 0.00 2.00 0.00 0.00 34.13 32.07 1uxl s GLU 78 CO 0.84 -1.79 0.54 -0.98 -0.56 0.00 0.00 175.26 173.30 1uxl s ARG 79 N 4.02 1.29 0.50 4.30 1.70 -1.16 -3.76 118.95 125.83 1uxl s ARG 79 Ca 0.22 -0.67 -0.18 0.00 -0.47 0.00 0.00 55.73 54.63 1uxl s ARG 79 Cb -0.17 0.54 -0.08 0.00 -0.57 0.00 0.00 34.95 34.67 1uxl s ARG 79 CO 0.10 -0.55 0.99 -1.01 -1.08 0.00 0.00 175.30 173.76 1uxl s HIS 80 N -3.81 3.30 0.33 5.89 3.76 -1.19 -4.66 115.29 118.91 1uxl s HIS 80 Ca 0.04 1.53 0.04 0.00 -0.15 0.00 0.00 55.06 56.52 1uxl s HIS 80 Cb -0.01 -2.87 0.65 0.00 1.11 0.00 0.00 32.58 31.46 1uxl s HIS 80 CO -0.09 -0.45 1.92 0.28 -0.85 0.00 0.00 174.74 175.55 1uxl h VAL 81 N 1.20 1.02 0.00 -0.90 2.07 -1.85 -1.89 116.25 115.90 1uxl h VAL 81 Ca -0.48 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1uxl h VAL 81 Cb 1.19 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1uxl h VAL 81 CO 0.60 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.97 1uxl n GLY 82 N -1.42 -0.84 3.53 2.17 0.00 -0.61 -4.41 105.19 103.60 1uxl n GLY 82 Ca 0.13 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.66 6.34 0.00 1.61 1.01 -0.71 -0.83 116.67 122.43 1uxl s ASP 83 Ca 0.24 -1.06 0.22 0.00 0.71 0.00 0.00 52.55 52.66 1uxl s ASP 83 Cb 0.11 -2.53 0.62 0.00 1.01 0.00 0.00 42.92 42.13 1uxl s ASP 83 CO 0.19 -1.58 1.52 0.18 0.21 0.00 0.00 175.17 175.69 1uxl n LEU 84 N 8.66 3.89 0.00 1.23 4.77 -1.05 -3.53 117.00 130.97 1uxl n LEU 84 Ca 0.15 -1.96 0.00 0.00 -0.03 0.00 0.00 56.01 54.17 1uxl n LEU 84 Cb 0.49 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1uxl n LEU 84 CO 0.66 0.96 0.00 0.61 -1.33 0.00 0.00 177.39 178.29 1uxl n GLY 85 N 1.59 0.62 3.49 -0.72 0.00 -1.20 -4.80 105.19 104.18 1uxl n GLY 85 Ca 0.24 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 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 3.80 0.17 1.61 0.01 -1.26 -0.84 114.94 114.43 1uxl s ASN 86 Ca 0.00 -0.78 0.10 0.00 -0.71 0.00 0.00 52.86 51.47 1uxl s ASN 86 Cb 0.00 -0.46 -0.04 0.00 0.41 0.00 0.00 41.25 41.16 1uxl s ASN 86 CO 0.00 0.09 -0.18 0.68 -1.51 0.00 0.00 177.10 176.19 1uxl s VAL 87 N -1.86 2.76 -0.18 1.60 -7.23 -0.03 -4.90 120.40 110.55 1uxl s VAL 87 Ca 0.24 -1.77 -0.02 0.00 -1.81 0.00 0.00 61.98 58.62 1uxl s VAL 87 Cb -0.08 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.53 1uxl s VAL 87 CO 0.13 -0.06 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.88 1uxl s THR 88 N -1.55 3.18 0.00 5.32 2.01 -1.26 -0.69 115.64 122.66 1uxl s THR 88 Ca 0.21 -0.58 -0.17 0.00 0.31 0.00 0.00 61.69 61.47 1uxl s THR 88 Cb -0.09 -2.40 -0.06 0.00 0.01 0.00 0.00 72.50 69.96 1uxl s THR 88 CO 0.12 0.47 0.47 0.00 -0.69 0.00 0.00 174.62 174.99 1uxl s ALA 89 N 1.04 3.62 0.88 7.40 0.00 -0.05 -4.21 121.76 130.44 1uxl s ALA 89 Ca -0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 51.96 51.75 1uxl s ALA 89 Cb -0.15 -2.51 0.15 0.00 0.00 0.00 0.00 23.12 20.61 1uxl s ALA 89 CO -0.01 0.37 0.91 -0.40 0.00 0.00 0.00 175.76 176.62 1uxl n ASP 90 N 2.12 0.38 0.19 0.00 5.68 0.01 -1.03 116.55 123.90 1uxl n ASP 90 Ca -0.12 -1.52 0.14 0.00 -0.50 0.00 0.00 54.79 52.80 1uxl n ASP 90 Cb 0.52 -0.66 0.65 0.00 -1.14 0.00 0.00 41.12 40.48 1uxl n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1uxl h LYS 91 N 0.00 0.00 -0.18 0.11 2.10 -1.97 -1.17 116.57 115.46 1uxl h LYS 91 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 1uxl h LYS 91 Cb 0.89 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.22 1uxl h LYS 91 CO 0.24 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.44 1uxl n ASP 92 N -2.49 2.08 0.00 7.07 8.00 -1.26 -4.92 116.55 125.02 1uxl n ASP 92 Ca 0.00 -1.76 0.00 0.00 0.71 0.00 0.00 54.79 53.74 1uxl n ASP 92 Cb 0.16 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 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 1.22 0.65 3.24 0.44 0.00 -0.44 -4.85 105.19 105.46 1uxl n GLY 93 Ca 0.17 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 2.27 -0.35 1.61 1.01 -1.26 -1.60 120.40 120.08 1uxl s VAL 94 Ca 0.00 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 1uxl s VAL 94 Cb 0.00 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.50 1uxl s VAL 94 CO 0.00 0.55 0.19 0.00 0.00 0.00 0.00 175.10 175.84 1uxl s ALA 95 N 0.42 3.30 -1.00 5.51 0.00 0.72 -0.81 121.76 129.89 1uxl s ALA 95 Ca -0.16 -1.57 -0.18 0.00 0.00 0.00 0.00 51.96 50.06 1uxl s ALA 95 Cb -0.17 -2.53 0.13 0.00 0.00 0.00 0.00 23.12 20.55 1uxl s ALA 95 CO 0.07 -1.18 1.23 -0.51 0.00 0.00 0.00 175.76 175.37 1uxl s ASP 96 N 1.59 6.72 0.18 0.00 1.01 -1.26 -0.78 116.67 124.13 1uxl s ASP 96 Ca 0.03 -2.23 -0.30 0.00 0.71 0.00 0.00 52.55 50.76 1uxl s ASP 96 Cb -0.18 -2.41 -0.09 0.00 1.01 0.00 0.00 42.92 41.25 1uxl s ASP 96 CO 0.07 -1.02 1.35 -0.69 0.21 0.00 0.00 175.17 175.09 1uxl s VAL 97 N 2.61 3.15 -0.27 -1.27 1.01 0.78 -4.89 120.40 121.52 1uxl s VAL 97 Ca 0.36 0.91 -0.00 0.00 0.00 0.00 0.00 61.98 63.25 1uxl s VAL 97 Cb -0.04 -3.58 0.14 0.00 0.00 0.00 0.00 36.38 32.90 1uxl s VAL 97 CO -0.07 0.12 0.35 -0.55 0.00 0.00 0.00 175.10 174.95 1uxl s SER 98 N 0.56 0.87 0.06 3.32 0.15 -1.25 -2.13 113.70 115.29 1uxl s SER 98 Ca 0.59 -0.37 0.04 0.00 0.70 0.00 0.00 55.95 56.92 1uxl s SER 98 Cb -0.37 0.85 -0.03 0.00 -1.71 0.00 0.00 66.02 64.76 1uxl s SER 98 CO 0.37 -0.35 -0.13 -0.63 1.20 0.00 0.00 173.24 173.70 1uxl s ILE 99 N 2.47 0.99 -0.05 6.45 1.01 0.32 -5.00 121.20 127.39 1uxl s ILE 99 Ca 0.10 -1.18 0.03 0.00 0.00 0.00 0.00 60.65 59.60 1uxl s ILE 99 Cb -0.14 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.38 1uxl s ILE 99 CO -0.27 -0.20 -0.15 -0.70 0.00 0.00 0.00 174.94 173.62 1uxl s GLU 100 N -1.56 1.72 -0.01 2.79 2.12 -1.26 -0.37 118.70 122.13 1uxl s GLU 100 Ca -0.03 -0.52 0.00 0.00 0.36 0.00 0.00 54.97 54.79 1uxl s GLU 100 Cb -0.09 -1.46 0.01 0.00 0.26 0.00 0.00 34.13 32.85 1uxl s GLU 100 CO 0.02 0.15 0.00 0.34 -0.54 0.00 0.00 175.26 175.23 1uxl s ASP 101 N 0.29 0.07 0.00 -1.70 2.15 -0.39 -4.97 116.67 112.11 1uxl s ASP 101 Ca -0.08 0.00 0.16 0.00 0.43 0.00 0.00 52.55 53.06 1uxl s ASP 101 Cb -0.13 -0.03 0.31 0.00 -0.30 0.00 0.00 42.92 42.78 1uxl s ASP 101 CO 0.03 -0.03 1.23 -1.20 -0.17 0.00 0.00 175.17 175.03 1uxl n SER 102 N 3.36 2.95 -0.13 -0.34 7.64 -1.26 -0.76 113.62 125.06 1uxl n SER 102 Ca -0.16 -1.87 -0.25 0.00 1.01 0.00 0.00 58.87 57.60 1uxl n SER 102 Cb 0.57 -0.20 -0.11 0.00 -1.01 0.00 0.00 64.21 63.47 1uxl n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1uxl n VAL 103 N 0.98 1.52 -1.28 0.44 0.31 -1.26 -4.92 118.33 114.12 1uxl n VAL 103 Ca 0.14 -0.45 -0.32 0.00 -0.01 0.00 0.00 64.34 63.70 1uxl n VAL 103 Cb 0.47 -1.71 0.10 0.00 -0.91 0.00 0.00 33.84 31.78 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 -2.51 3.01 0.08 2.52 -4.36 -1.26 -4.84 121.20 113.83 1uxl s ILE 104 Ca -0.37 0.37 -0.07 0.00 -0.26 0.00 0.00 60.65 60.32 1uxl s ILE 104 Cb 0.12 -2.78 -0.01 0.00 1.25 0.00 0.00 42.46 41.04 1uxl s ILE 104 CO 0.54 -0.39 0.13 -0.55 0.24 0.00 0.00 174.94 174.92 1uxl s SER 105 N -2.99 0.21 -0.01 4.36 0.15 -0.96 -4.62 113.70 109.85 1uxl s SER 105 Ca 0.64 -0.73 0.22 0.00 0.70 0.00 0.00 55.95 56.79 1uxl s SER 105 Cb -0.20 0.30 0.66 0.00 -1.71 0.00 0.00 66.02 65.07 1uxl s SER 105 CO 0.52 -0.69 1.55 0.18 1.20 0.00 0.00 173.24 176.01 1uxl n LEU 106 N 0.01 4.03 -3.90 3.45 4.77 -1.26 -1.20 117.00 122.90 1uxl n LEU 106 Ca -0.15 -2.02 -0.09 0.00 -0.03 0.00 0.00 56.01 53.72 1uxl n LEU 106 Cb 0.62 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1uxl n LEU 106 CO 0.24 0.97 0.20 -0.94 -1.33 0.00 0.00 177.39 176.53 1uxl s SER 107 N -0.99 -0.14 0.54 -1.43 1.04 -1.26 -4.81 113.70 106.65 1uxl s SER 107 Ca 0.50 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 56.18 1uxl s SER 107 Cb 0.26 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.95 1uxl s SER 107 CO 0.33 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1uxl n GLY 108 N -0.34 0.02 0.30 7.32 0.00 -1.26 -3.75 105.19 107.48 1uxl n GLY 108 Ca -0.06 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 1uxl n GLY 108 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1uxl h ASP 109 N 3.12 1.04 -0.15 1.61 3.58 -2.01 -2.32 116.42 121.30 1uxl h ASP 109 Ca 0.00 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.12 1uxl h ASP 109 Cb 0.00 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.77 1uxl h ASP 109 CO 0.00 1.13 0.00 1.41 -2.88 0.00 0.00 179.24 178.90 1uxl n HIS 110 N -4.16 0.45 -1.93 0.28 8.25 -1.26 -4.91 115.22 111.94 1uxl n HIS 110 Ca 0.02 -0.16 -0.42 0.00 -0.26 0.00 0.00 57.72 56.90 1uxl n HIS 110 Cb 0.38 -0.16 -0.03 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 4.71 0.00 -2.05 0.00 -5.35 -0.34 -4.91 119.36 111.42 1uxl n ILE 112 Ca 0.16 -0.15 -0.41 0.00 -0.27 0.00 0.00 62.75 62.08 1uxl n ILE 112 Cb 0.40 0.91 -0.02 0.00 -1.74 0.00 0.00 39.64 39.19 1uxl n ILE 112 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1uxl s THR 113 N -2.63 2.62 0.00 7.28 -4.23 -1.26 -1.51 115.64 115.90 1uxl s THR 113 Ca 0.17 0.60 0.00 0.00 -1.18 0.00 0.00 61.69 61.28 1uxl s THR 113 Cb 0.18 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.64 1uxl s THR 113 CO 0.63 0.13 0.00 0.61 -0.54 0.00 0.00 174.62 175.45 1uxl n GLY 114 N 1.07 1.05 1.26 3.99 0.00 0.70 -5.00 105.19 108.27 1uxl n GLY 114 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 1.08 -4.85 1.61 1.74 -0.57 -2.87 116.66 110.79 1uxl n ARG 115 Ca 0.00 -1.08 -0.33 0.00 -0.77 0.00 0.00 57.85 55.67 1uxl n ARG 115 Cb 0.00 0.04 -0.15 0.00 -1.02 0.00 0.00 32.46 31.33 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 -0.59 2.90 -0.06 0.55 2.01 -1.06 -0.43 115.64 118.97 1uxl s THR 116 Ca 0.14 -0.72 -0.16 0.00 0.31 0.00 0.00 61.69 61.27 1uxl s THR 116 Cb -0.01 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.25 1uxl s THR 116 CO 0.09 0.53 0.42 -0.22 -0.69 0.00 0.00 174.62 174.76 1uxl s LEU 117 N 0.29 4.38 -0.04 4.42 2.96 -0.21 0.15 118.68 130.63 1uxl s LEU 117 Ca -0.11 0.86 0.03 0.00 -0.22 0.00 0.00 54.13 54.69 1uxl s LEU 117 Cb -0.16 -2.61 0.00 0.00 0.50 0.00 0.00 46.19 43.93 1uxl s LEU 117 CO 0.06 0.18 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.47 1uxl s VAL 118 N -0.27 0.98 -0.11 1.68 1.01 -0.28 -1.86 120.40 121.54 1uxl s VAL 118 Ca 0.24 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 1uxl s VAL 118 Cb -0.16 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 1uxl s VAL 118 CO 0.11 0.30 -0.08 0.54 0.00 0.00 0.00 175.10 175.97 1uxl s VAL 119 N 0.25 3.58 0.33 2.92 0.11 -0.70 -1.65 120.40 125.24 1uxl s VAL 119 Ca -0.05 -0.50 0.07 0.00 -2.93 0.00 0.00 61.98 58.57 1uxl s VAL 119 Cb -0.11 -2.50 -0.02 0.00 -1.53 0.00 0.00 36.38 32.22 1uxl s VAL 119 CO 0.01 0.55 0.32 -1.00 -3.33 0.00 0.00 175.10 171.66 1uxl s HIS 120 N -0.21 2.97 0.22 1.54 3.76 0.16 -1.05 115.29 122.68 1uxl s HIS 120 Ca 0.02 -0.27 -0.08 0.00 -0.15 0.00 0.00 55.06 54.58 1uxl s HIS 120 Cb -0.13 -1.81 0.24 0.00 1.11 0.00 0.00 32.58 32.00 1uxl s HIS 120 CO 0.03 0.17 1.86 1.49 -0.85 0.00 0.00 174.74 177.44 1uxl h GLU 121 N 1.19 0.93 -5.00 1.40 4.81 -0.89 -3.37 114.58 113.65 1uxl h GLU 121 Ca -0.45 -0.06 -0.55 0.00 -0.13 0.00 0.00 59.36 58.17 1uxl h GLU 121 Cb 1.25 -0.21 -0.13 0.00 0.63 0.00 0.00 28.75 30.29 1uxl h GLU 121 CO 0.57 0.61 -0.50 0.15 -0.73 0.00 0.00 179.01 179.12 1uxl s LYS 122 N -6.10 1.93 0.40 1.92 1.02 -0.21 -4.90 119.74 113.80 1uxl s LYS 122 Ca -0.13 -2.18 -0.26 0.00 0.02 0.00 0.00 55.97 53.42 1uxl s LYS 122 Cb 0.17 -0.42 -0.09 0.00 -0.52 0.00 0.00 37.83 36.97 1uxl s LYS 122 CO 0.78 -0.54 1.27 0.00 -0.92 0.00 0.00 175.35 175.95 1uxl s ALA 123 N -3.23 3.23 -0.09 5.17 0.00 -1.15 -0.84 121.76 124.85 1uxl s ALA 123 Ca 0.26 1.18 -0.29 0.00 0.00 0.00 0.00 51.96 53.10 1uxl s ALA 123 Cb 0.02 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 1uxl s ALA 123 CO 0.17 -0.76 0.98 0.34 0.00 0.00 0.00 175.76 176.48 1uxl s ASP 124 N -0.82 7.23 0.00 0.00 -1.08 -1.26 -3.75 116.67 116.99 1uxl s ASP 124 Ca 0.57 1.51 0.18 0.00 -0.52 0.00 0.00 52.55 54.29 1uxl s ASP 124 Cb -0.37 -2.54 0.96 0.00 -1.46 0.00 0.00 42.92 39.51 1uxl s ASP 124 CO 0.47 -0.41 1.64 -0.90 0.52 0.00 0.00 175.17 176.49 1uxl n ASP 125 N 4.83 0.50 -2.12 -0.34 5.68 0.49 -4.87 116.55 120.71 1uxl n ASP 125 Ca 0.08 -1.53 -0.20 0.00 -0.50 0.00 0.00 54.79 52.63 1uxl n ASP 125 Cb 0.49 -0.03 -0.04 0.00 -1.14 0.00 0.00 41.12 40.40 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 -0.45 -1.76 0.00 -2.12 4.77 -1.26 -1.54 117.00 114.64 1uxl n LEU 126 Ca 0.14 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1uxl n LEU 126 Cb 0.14 -2.87 0.00 0.00 -2.33 0.00 0.00 43.42 38.36 1uxl n LEU 126 CO 0.11 -0.51 0.00 0.61 -1.33 0.00 0.00 177.39 176.27 1uxl n GLY 127 N -0.79 0.52 1.17 -0.72 0.00 -1.25 -3.42 105.19 100.70 1uxl n GLY 127 Ca -0.23 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.92 3.48 0.00 1.61 5.02 -0.59 -4.60 118.16 120.16 1uxl n LYS 128 Ca 0.00 -2.94 0.13 0.00 -2.02 0.00 0.00 58.31 53.48 1uxl n LYS 128 Cb 0.00 -1.97 0.37 0.00 -0.02 0.00 0.00 35.03 33.42 1uxl n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uxl n GLY 129 N -0.20 -1.19 1.66 0.72 0.00 -1.26 -4.96 105.19 99.97 1uxl n GLY 129 Ca 0.23 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1uxl n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uxl n GLY 130 N 1.46 0.55 3.34 -0.02 0.00 -1.26 -4.97 105.19 104.29 1uxl n GLY 130 Ca 0.08 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 1uxl n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uxl s ASN 131 N -2.25 1.52 0.22 1.61 2.20 -1.26 -5.04 114.94 111.94 1uxl s ASN 131 Ca 0.00 -1.51 -0.06 0.00 -0.94 0.00 0.00 52.86 50.35 1uxl s ASN 131 Cb 0.00 0.32 0.18 0.00 -2.00 0.00 0.00 41.25 39.75 1uxl s ASN 131 CO 0.00 -0.84 1.70 1.05 -2.94 0.00 0.00 177.10 176.07 1uxl h GLU 132 N 2.24 0.98 -0.87 3.55 9.09 -1.99 -2.17 114.58 125.40 1uxl h GLU 132 Ca -0.35 -0.28 0.10 0.00 0.05 0.00 0.00 59.36 58.88 1uxl h GLU 132 Cb 1.25 -0.11 -0.06 0.00 -1.65 0.00 0.00 28.75 28.18 1uxl h GLU 132 CO 0.55 0.95 0.57 1.49 0.05 0.00 0.00 179.01 182.61 1uxl h GLU 133 N 0.91 0.82 -0.93 1.06 4.57 -1.99 -1.39 114.58 117.63 1uxl h GLU 133 Ca 0.17 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.31 1uxl h GLU 133 Cb 0.49 -0.19 -0.05 0.00 -0.16 0.00 0.00 28.75 28.85 1uxl h GLU 133 CO 0.02 0.54 0.61 1.03 -1.18 0.00 0.00 179.01 180.04 1uxl h SER 134 N 0.85 1.06 -0.30 1.04 0.87 -1.74 0.11 113.55 115.45 1uxl h SER 134 Ca 0.41 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 1uxl h SER 134 Cb 0.43 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1uxl h SER 134 CO -0.17 0.77 0.00 0.35 -0.53 0.00 0.00 176.83 177.25 1uxl n THR 135 N -4.39 0.39 -0.04 2.23 -2.24 -0.56 -2.29 114.28 107.38 1uxl n THR 135 Ca 0.11 -0.43 -0.09 0.00 -2.27 0.00 0.00 64.05 61.36 1uxl n THR 135 Cb 0.02 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.48 1uxl n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1uxl n LYS 136 N 0.46 0.21 0.00 -0.78 5.02 -0.65 -1.09 118.16 121.34 1uxl n LYS 136 Ca 0.13 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1uxl n LYS 136 Cb 0.30 -0.86 0.00 0.00 -0.02 0.00 0.00 35.03 34.45 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 -3.56 0.00 -1.01 -0.18 -2.24 0.29 -4.67 114.28 102.92 1uxl n THR 137 Ca -0.17 -0.39 -0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1uxl n THR 137 Cb 0.54 0.98 -0.00 0.00 -2.10 0.00 0.00 70.33 69.75 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 0.85 0.45 2.69 3.38 0.00 -0.97 -3.60 105.19 107.99 1uxl n GLY 138 Ca 0.00 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 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 0.06 -6.06 -0.22 1.61 3.02 -1.25 -0.38 115.26 112.04 1uxl n ASN 139 Ca -0.00 -0.15 0.13 0.00 -0.03 0.00 0.00 54.58 54.53 1uxl n ASN 139 Cb 0.07 -4.97 0.67 0.00 -0.61 0.00 0.00 39.78 34.94 1uxl n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uxl n ALA 140 N -2.75 2.62 -0.17 5.41 0.00 -1.24 -4.71 120.51 119.67 1uxl n ALA 140 Ca -0.19 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1uxl n ALA 140 Cb 0.66 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 1.03 -0.81 3.70 0.00 0.00 -1.26 -1.05 105.19 106.80 1uxl n GLY 141 Ca 0.20 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 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 3.38 -0.47 1.61 1.04 -1.26 -4.59 113.70 109.41 1uxl s SER 142 Ca 0.00 1.78 -0.19 0.00 0.48 0.00 0.00 55.95 58.02 1uxl s SER 142 Cb 0.00 -2.40 0.04 0.00 0.10 0.00 0.00 66.02 63.77 1uxl s SER 142 CO 0.00 -2.74 0.57 -0.13 0.98 0.00 0.00 173.24 171.92 1uxl s ARG 143 N -4.80 3.14 0.07 4.02 0.52 -1.26 -0.83 118.95 119.80 1uxl s ARG 143 Ca 0.64 -0.78 -0.06 0.00 -0.52 0.00 0.00 55.73 55.01 1uxl s ARG 143 Cb -0.20 -4.04 -0.30 0.00 0.52 0.00 0.00 34.95 30.94 1uxl s ARG 143 CO 0.58 -1.08 1.11 -0.07 0.02 0.00 0.00 175.30 175.86 1uxl h LEU 144 N 9.50 0.49 -7.08 2.53 3.38 -1.39 -3.48 115.31 119.26 1uxl h LEU 144 Ca -0.27 -0.53 -0.04 0.00 0.09 0.00 0.00 57.88 57.13 1uxl h LEU 144 Cb 1.10 -0.16 -0.15 0.00 0.09 0.00 0.00 40.66 41.54 1uxl h LEU 144 CO 0.91 1.41 0.14 0.00 0.09 0.00 0.00 178.44 180.99 1uxl s ALA 145 N -2.65 -1.52 0.26 1.53 0.00 -1.15 -4.13 121.76 114.11 1uxl s ALA 145 Ca -0.05 0.66 -0.19 0.00 0.00 0.00 0.00 51.96 52.38 1uxl s ALA 145 Cb 0.07 0.55 0.02 0.00 0.00 0.00 0.00 23.12 23.75 1uxl s ALA 145 CO 0.89 -0.60 0.65 0.00 0.00 0.00 0.00 175.76 176.70 1uxl s GLY 147 N -2.93 -0.44 0.10 0.00 0.00 -0.78 -1.48 107.32 101.79 1uxl s GLY 147 Ca 0.13 0.77 -0.27 0.00 0.00 0.00 0.00 44.72 45.36 1uxl s GLY 147 CO 0.06 0.25 0.84 0.14 0.00 0.00 0.00 173.10 174.40 1uxl s VAL 148 N -3.24 4.54 -0.23 1.40 1.01 -1.26 -1.05 120.40 121.58 1uxl s VAL 148 Ca 0.06 1.82 -0.29 0.00 0.00 0.00 0.00 61.98 63.57 1uxl s VAL 148 Cb -0.01 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 32.17 1uxl s VAL 148 CO -0.07 0.39 1.07 -0.63 0.00 0.00 0.00 175.10 175.85 1uxl s ILE 149 N -0.32 4.62 0.20 2.22 1.01 0.42 -4.53 121.20 124.83 1uxl s ILE 149 Ca 0.41 1.96 0.09 0.00 0.00 0.00 0.00 60.65 63.11 1uxl s ILE 149 Cb -0.22 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 37.92 1uxl s ILE 149 CO 0.26 -0.19 -0.10 -0.83 0.00 0.00 0.00 174.94 174.08 1uxl s GLY 150 N 1.32 1.73 0.18 6.18 0.00 0.26 -0.21 107.32 116.77 1uxl s GLY 150 Ca 0.45 -1.54 -0.31 0.00 0.00 0.00 0.00 44.72 43.33 1uxl s GLY 150 CO 0.08 -1.57 1.45 -0.42 0.00 0.00 0.00 173.10 172.63 1uxl s ILE 151 N -1.85 2.91 0.24 0.90 1.01 -1.26 -0.56 121.20 122.59 1uxl s ILE 151 Ca 0.26 0.69 0.11 0.00 0.00 0.00 0.00 60.65 61.71 1uxl s ILE 151 Cb -0.08 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 1uxl s ILE 151 CO 0.15 0.08 -0.15 0.00 0.00 0.00 0.00 174.94 175.02 1uxl s ALA 152 N 0.68 2.83 -2.00 9.38 0.00 -0.55 -4.79 121.76 127.31 1uxl s ALA 152 Ca 0.64 -1.71 0.24 0.00 0.00 0.00 0.00 51.96 51.12 1uxl s ALA 152 Cb -0.40 -0.47 1.41 0.00 0.00 0.00 0.00 23.12 23.66 1uxl s ALA 152 CO 0.35 0.34 1.78 0.94 0.00 0.00 0.00 175.76 179.17