#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 4.46 0.06 0.00 2.01 -0.48 -4.91 115.64 116.78 1uxl s THR 2 Ca 0.00 1.60 0.04 0.00 0.31 0.00 0.00 61.69 63.64 1uxl s THR 2 Cb 0.00 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 1uxl s THR 2 CO 0.00 0.53 -0.12 -0.54 -0.69 0.00 0.00 174.62 173.79 1uxl s LYS 3 N -1.11 0.73 0.15 4.92 1.02 -1.26 -0.78 119.74 123.41 1uxl s LYS 3 Ca 0.34 -0.89 -0.05 0.00 0.02 0.00 0.00 55.97 55.39 1uxl s LYS 3 Cb -0.22 -0.67 -0.02 0.00 -0.52 0.00 0.00 37.83 36.39 1uxl s LYS 3 CO 0.25 0.15 0.18 0.00 -0.92 0.00 0.00 175.35 175.00 1uxl s ALA 4 N -1.28 0.40 0.04 5.17 0.00 -0.46 -1.60 121.76 124.04 1uxl s ALA 4 Ca -0.04 -1.16 -0.14 0.00 0.00 0.00 0.00 51.96 50.61 1uxl s ALA 4 Cb -0.10 0.87 0.02 0.00 0.00 0.00 0.00 23.12 23.92 1uxl s ALA 4 CO 0.02 -0.58 0.32 0.54 0.00 0.00 0.00 175.76 176.06 1uxl s VAL 5 N -4.01 0.08 -0.07 0.00 0.11 0.05 -0.88 120.40 115.68 1uxl s VAL 5 Ca 0.21 -0.64 -0.04 0.00 -2.93 0.00 0.00 61.98 58.59 1uxl s VAL 5 Cb 0.05 -0.93 0.04 0.00 -1.53 0.00 0.00 36.38 34.01 1uxl s VAL 5 CO 0.01 -0.35 0.16 0.00 -3.33 0.00 0.00 175.10 171.59 1uxl s VAL 7 N 1.02 5.02 -0.12 0.00 1.01 -1.26 -1.03 120.40 125.03 1uxl s VAL 7 Ca -0.08 -0.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 1uxl s VAL 7 Cb -0.10 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1uxl s VAL 7 CO -0.05 0.17 0.45 -0.76 0.00 0.00 0.00 175.10 174.91 1uxl s LEU 8 N 1.70 4.27 0.05 3.92 1.43 0.55 -3.92 118.68 126.68 1uxl s LEU 8 Ca 0.06 0.77 -0.04 0.00 -1.03 0.00 0.00 54.13 53.89 1uxl s LEU 8 Cb -0.16 -2.65 -0.02 0.00 0.03 0.00 0.00 46.19 43.39 1uxl s LEU 8 CO 0.09 0.01 0.07 -0.54 0.23 0.00 0.00 176.35 176.21 1uxl s LYS 9 N 0.60 0.64 0.00 1.70 1.02 -0.57 -2.20 119.74 120.93 1uxl s LYS 9 Ca 0.25 -0.95 0.00 0.00 0.02 0.00 0.00 55.97 55.29 1uxl s LYS 9 Cb -0.15 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 1uxl s LYS 9 CO 0.09 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 1uxl n GLY 10 N 0.39 3.43 0.15 -3.33 0.00 -1.24 -1.07 105.19 103.53 1uxl n GLY 10 Ca -0.17 -1.08 0.12 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.76 1.61 3.32 -1.92 -3.46 116.42 115.20 1uxl h ASP 11 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 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 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 1uxl n GLY 12 N 1.17 2.35 0.47 2.75 0.00 -1.26 -5.03 105.19 105.64 1uxl n GLY 12 Ca 0.02 -1.95 0.12 0.00 0.00 0.00 0.00 46.02 44.22 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 1.64 -2.44 1.61 -0.04 -1.26 -4.91 135.00 129.60 1uxl n PRO 13 Ca 0.00 -0.94 -0.42 0.00 -0.04 0.00 0.00 63.50 62.10 1uxl n PRO 13 Cb 0.00 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.99 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 4.17 0.01 0.52 1.01 -1.26 -4.34 120.40 118.61 1uxl s VAL 14 Ca 0.36 1.52 -0.22 0.00 0.00 0.00 0.00 61.98 63.64 1uxl s VAL 14 Cb 0.19 -3.98 0.05 0.00 0.00 0.00 0.00 36.38 32.64 1uxl s VAL 14 CO 0.30 0.02 0.49 0.00 0.00 0.00 0.00 175.10 175.92 1uxl s GLN 15 N 1.98 0.95 -0.01 2.72 -2.07 -0.84 -3.69 119.66 118.70 1uxl s GLN 15 Ca 0.57 -0.15 -0.29 0.00 -1.82 0.00 0.00 55.36 53.67 1uxl s GLN 15 Cb -0.26 0.43 0.11 0.00 -1.09 0.00 0.00 33.01 32.20 1uxl s GLN 15 CO 0.24 -0.32 1.29 0.20 -1.32 0.00 0.00 175.29 175.38 1uxl s GLY 16 N -1.69 -0.24 -0.09 2.60 0.00 -0.94 -0.47 107.32 106.49 1uxl s GLY 16 Ca -0.08 0.29 0.02 0.00 0.00 0.00 0.00 44.72 44.95 1uxl s GLY 16 CO 0.02 3.36 -0.14 -0.42 0.00 0.00 0.00 173.10 175.92 1uxl s ILE 17 N -2.17 1.34 -0.10 0.90 1.01 -0.98 -0.33 121.20 120.88 1uxl s ILE 17 Ca 0.23 -0.56 0.04 0.00 0.00 0.00 0.00 60.65 60.36 1uxl s ILE 17 Cb 0.02 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.25 1uxl s ILE 17 CO -0.02 0.41 -0.23 -0.63 0.00 0.00 0.00 174.94 174.47 1uxl s ILE 18 N 0.94 1.97 0.06 2.92 -1.09 -0.20 -2.59 121.20 123.21 1uxl s ILE 18 Ca -0.08 -0.97 0.01 0.00 -2.23 0.00 0.00 60.65 57.38 1uxl s ILE 18 Cb -0.15 -1.71 -0.04 0.00 -1.58 0.00 0.00 42.46 38.98 1uxl s ILE 18 CO -0.00 0.54 0.17 0.20 -1.23 0.00 0.00 174.94 174.62 1uxl s ASN 19 N 0.36 6.10 -0.03 3.58 0.01 0.13 -0.73 114.94 124.37 1uxl s ASN 19 Ca -0.18 0.19 0.04 0.00 -0.71 0.00 0.00 52.86 52.20 1uxl s ASN 19 Cb -0.18 -1.82 -0.00 0.00 0.41 0.00 0.00 41.25 39.66 1uxl s ASN 19 CO 0.08 0.18 -0.14 -0.36 -1.51 0.00 0.00 177.10 175.35 1uxl s PHE 20 N -1.46 1.39 -0.02 2.20 0.08 -0.06 -1.30 117.98 118.81 1uxl s PHE 20 Ca 0.33 -0.34 -0.00 0.00 0.12 0.00 0.00 56.93 57.04 1uxl s PHE 20 Cb -0.13 -0.93 0.02 0.00 -0.57 0.00 0.00 43.02 41.41 1uxl s PHE 20 CO 0.25 -0.09 0.03 -2.00 -0.10 0.00 0.00 175.22 173.31 1uxl s GLU 21 N -0.07 -0.02 -0.25 0.44 2.12 -0.29 -1.35 118.70 119.28 1uxl s GLU 21 Ca 0.00 0.15 -0.01 0.00 0.36 0.00 0.00 54.97 55.46 1uxl s GLU 21 Cb -0.09 -0.17 0.07 0.00 0.26 0.00 0.00 34.13 34.21 1uxl s GLU 21 CO 0.01 -0.12 0.04 -1.14 -0.54 0.00 0.00 175.26 173.51 1uxl s GLN 22 N 0.75 0.88 0.21 4.30 0.74 0.04 -0.53 119.66 126.05 1uxl s GLN 22 Ca -0.06 -0.79 -0.08 0.00 0.05 0.00 0.00 55.36 54.47 1uxl s GLN 22 Cb -0.09 -2.18 0.14 0.00 1.10 0.00 0.00 33.01 31.98 1uxl s GLN 22 CO -0.02 -0.76 1.76 0.87 -0.55 0.00 0.00 175.29 176.59 1uxl h LYS 23 N 8.12 1.16 -5.39 1.67 1.79 -1.83 -1.28 116.57 120.80 1uxl h LYS 23 Ca -0.15 -0.23 -0.44 0.00 -2.18 0.00 0.00 60.65 57.65 1uxl h LYS 23 Cb 1.07 -0.18 -0.23 0.00 -1.58 0.00 0.00 32.23 31.31 1uxl h LYS 23 CO 0.40 0.96 -0.79 -1.21 -1.08 0.00 0.00 179.45 177.73 1uxl s GLU 24 N -5.49 0.90 0.57 3.15 0.41 -1.26 -4.31 118.70 112.67 1uxl s GLU 24 Ca -0.12 -0.87 0.34 0.00 -0.41 0.00 0.00 54.97 53.90 1uxl s GLU 24 Cb 0.15 -0.93 1.72 0.00 -1.78 0.00 0.00 34.13 33.30 1uxl s GLU 24 CO 0.84 0.22 2.15 0.66 -0.49 0.00 0.00 175.26 178.63 1uxl h SER 25 N 4.59 0.00 -0.76 -0.19 4.64 -1.98 -1.42 113.55 118.43 1uxl h SER 25 Ca -0.40 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.69 1uxl h SER 25 Cb 1.18 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.14 1uxl h SER 25 CO 0.42 0.05 0.29 -0.46 -0.87 0.00 0.00 176.83 176.26 1uxl n ASN 26 N -3.37 4.80 -4.09 4.97 6.94 -1.26 -4.95 115.26 118.28 1uxl n ASN 26 Ca -0.02 -3.25 -0.26 0.00 -0.02 0.00 0.00 54.58 51.03 1uxl n ASN 26 Cb 0.20 -0.75 -0.08 0.00 -2.36 0.00 0.00 39.78 36.79 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 -1.06 2.68 0.63 4.83 0.00 -0.54 -5.14 107.32 108.73 1uxl s GLY 27 Ca 0.55 -1.15 -0.17 0.00 0.00 0.00 0.00 44.72 43.95 1uxl s GLY 27 CO 0.13 -1.84 1.16 -4.14 0.00 0.00 0.00 173.10 168.41 1uxl s PRO 28 N -3.69 2.82 -0.22 2.90 0.02 -1.26 -4.86 135.00 130.72 1uxl s PRO 28 Ca 0.22 1.64 -0.08 0.00 0.02 0.00 0.00 61.00 62.80 1uxl s PRO 28 Cb 0.02 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.57 1uxl s PRO 28 CO 0.14 -1.28 0.08 0.08 -0.33 0.00 0.00 177.00 175.69 1uxl s VAL 29 N -1.94 4.73 0.01 3.83 1.01 0.45 -4.29 120.40 124.20 1uxl s VAL 29 Ca 0.73 -0.04 -0.23 0.00 0.00 0.00 0.00 61.98 62.43 1uxl s VAL 29 Cb -0.26 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 1uxl s VAL 29 CO 0.37 0.39 0.70 -0.54 0.00 0.00 0.00 175.10 176.02 1uxl s LYS 30 N 0.93 4.43 -0.14 2.72 1.02 0.31 -1.37 119.74 127.64 1uxl s LYS 30 Ca 0.04 0.93 0.00 0.00 0.02 0.00 0.00 55.97 56.96 1uxl s LYS 30 Cb -0.14 -3.37 0.02 0.00 -0.52 0.00 0.00 37.83 33.83 1uxl s LYS 30 CO 0.03 0.28 -0.14 0.08 -0.92 0.00 0.00 175.35 174.68 1uxl s VAL 31 N 0.04 1.52 0.07 3.17 1.01 0.56 -1.14 120.40 125.62 1uxl s VAL 31 Ca 0.36 -0.60 -0.19 0.00 0.00 0.00 0.00 61.98 61.55 1uxl s VAL 31 Cb -0.19 -1.43 0.04 0.00 0.00 0.00 0.00 36.38 34.80 1uxl s VAL 31 CO 0.20 0.45 0.45 -1.66 0.00 0.00 0.00 175.10 174.54 1uxl s TRP 32 N 1.46 -0.31 -5.00 5.22 -2.14 -0.42 -0.76 118.94 116.99 1uxl s TRP 32 Ca 0.04 0.22 0.00 0.00 2.66 0.00 0.00 56.10 59.01 1uxl s TRP 32 Cb -0.13 0.28 0.00 0.00 -3.10 0.00 0.00 33.47 30.52 1uxl s TRP 32 CO -0.10 -0.63 0.00 0.41 -2.66 0.00 0.00 176.95 173.97 1uxl n GLY 33 N 0.26 -0.62 3.03 3.67 0.00 -0.82 0.18 105.19 110.90 1uxl n GLY 33 Ca -0.18 -1.23 -0.20 0.00 0.00 0.00 0.00 46.02 44.41 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 1.23 -0.08 1.61 0.15 -1.07 0.02 113.70 111.56 1uxl s SER 34 Ca 0.00 -0.19 0.03 0.00 0.70 0.00 0.00 55.95 56.49 1uxl s SER 34 Cb 0.00 -0.21 0.01 0.00 -1.71 0.00 0.00 66.02 64.11 1uxl s SER 34 CO 0.00 0.11 -0.19 -0.63 1.20 0.00 0.00 173.24 173.73 1uxl s ILE 35 N -0.09 1.66 0.43 6.45 1.01 -0.13 -2.31 121.20 128.21 1uxl s ILE 35 Ca 0.02 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 59.95 1uxl s ILE 35 Cb -0.06 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 1uxl s ILE 35 CO -0.00 0.47 0.17 -1.59 0.00 0.00 0.00 174.94 173.99 1uxl s LYS 36 N 0.48 2.20 0.00 2.79 -2.85 0.38 -0.24 119.74 122.50 1uxl s LYS 36 Ca -0.17 -1.92 0.00 0.00 -1.00 0.00 0.00 55.97 52.88 1uxl s LYS 36 Cb -0.17 -1.93 0.00 0.00 -2.06 0.00 0.00 37.83 33.67 1uxl s LYS 36 CO 0.07 -0.15 0.00 0.41 0.10 0.00 0.00 175.35 175.77 1uxl n GLY 37 N -1.24 0.44 3.92 0.59 0.00 -0.97 -1.98 105.19 105.95 1uxl n GLY 37 Ca -0.03 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 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 4.35 0.49 0.99 1.43 -0.71 -4.26 118.68 120.97 1uxl s LEU 38 Ca 0.00 0.26 -0.21 0.00 -1.03 0.00 0.00 54.13 53.15 1uxl s LEU 38 Cb 0.00 -2.95 -0.07 0.00 0.03 0.00 0.00 46.19 43.20 1uxl s LEU 38 CO 0.00 0.17 1.11 0.42 0.23 0.00 0.00 176.35 178.28 1uxl s THR 39 N -1.51 3.34 0.37 5.49 -4.23 -1.26 -4.18 115.64 113.65 1uxl s THR 39 Ca 0.35 0.91 -0.28 0.00 -1.18 0.00 0.00 61.69 61.49 1uxl s THR 39 Cb -0.13 -3.41 -0.11 0.00 1.34 0.00 0.00 72.50 70.19 1uxl s THR 39 CO 0.28 -0.11 1.50 1.21 -0.54 0.00 0.00 174.62 176.97 1uxl n GLU 40 N -0.82 2.68 0.00 3.99 2.13 -1.26 -4.57 120.64 122.79 1uxl n GLU 40 Ca 0.09 0.94 0.00 0.00 0.66 0.00 0.00 57.16 58.85 1uxl n GLU 40 Cb 0.50 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.53 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 0.71 0.32 3.78 8.31 0.00 -0.36 -4.92 105.19 113.02 1uxl n GLY 41 Ca 0.02 -2.30 -0.38 0.00 0.00 0.00 0.00 46.02 43.36 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 4.51 -0.04 0.99 1.43 -1.26 -0.93 118.68 123.38 1uxl s LEU 42 Ca 0.00 1.74 -0.00 0.00 -1.03 0.00 0.00 54.13 54.84 1uxl s LEU 42 Cb 0.00 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.65 1uxl s LEU 42 CO 0.00 0.10 0.01 -1.00 0.23 0.00 0.00 176.35 175.69 1uxl s HIS 43 N -1.33 0.36 0.50 0.29 3.76 0.07 -3.13 115.29 115.80 1uxl s HIS 43 Ca 0.42 -0.00 -0.23 0.00 -0.15 0.00 0.00 55.06 55.10 1uxl s HIS 43 Cb -0.22 -0.50 -0.07 0.00 1.11 0.00 0.00 32.58 32.90 1uxl s HIS 43 CO 0.26 -0.18 1.17 0.41 -0.85 0.00 0.00 174.74 175.56 1uxl n GLY 44 N 4.48 0.25 2.67 -2.22 0.00 -0.09 -1.13 105.19 109.14 1uxl n GLY 44 Ca -0.20 0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.31 0.01 0.04 1.61 5.36 0.34 -0.75 117.98 123.28 1uxl s PHE 45 Ca 0.68 -0.10 -0.02 0.00 -0.96 0.00 0.00 56.93 56.53 1uxl s PHE 45 Cb -0.47 -0.56 -0.03 0.00 -0.34 0.00 0.00 43.02 41.62 1uxl s PHE 45 CO 0.53 -0.54 -0.00 -1.01 -1.46 0.00 0.00 175.22 172.74 1uxl s HIS 46 N 2.21 0.38 -0.24 10.12 3.76 -0.70 -2.63 115.29 128.20 1uxl s HIS 46 Ca 0.04 -0.81 -0.17 0.00 -0.15 0.00 0.00 55.06 53.97 1uxl s HIS 46 Cb -0.16 -0.28 -0.03 0.00 1.11 0.00 0.00 32.58 33.22 1uxl s HIS 46 CO -0.10 -0.33 0.49 0.08 -0.85 0.00 0.00 174.74 174.02 1uxl s VAL 47 N -3.03 5.10 0.35 -0.90 1.01 -0.13 -0.60 120.40 122.20 1uxl s VAL 47 Ca -0.01 0.85 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1uxl s VAL 47 Cb 0.01 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1uxl s VAL 47 CO -0.07 0.14 0.55 -1.00 0.00 0.00 0.00 175.10 174.72 1uxl s HIS 48 N 2.00 3.50 0.14 5.22 3.76 0.11 -0.50 115.29 129.52 1uxl s HIS 48 Ca 0.21 0.36 -0.14 0.00 -0.15 0.00 0.00 55.06 55.35 1uxl s HIS 48 Cb -0.15 -1.91 0.02 0.00 1.11 0.00 0.00 32.58 31.64 1uxl s HIS 48 CO 0.09 0.11 1.63 1.49 -0.85 0.00 0.00 174.74 177.22 1uxl h GLU 49 N 0.75 0.78 -5.95 1.40 4.81 -0.56 -2.78 114.58 113.03 1uxl h GLU 49 Ca -0.50 -0.20 -0.68 0.00 -0.13 0.00 0.00 59.36 57.86 1uxl h GLU 49 Cb 1.22 -0.09 -0.18 0.00 0.63 0.00 0.00 28.75 30.32 1uxl h GLU 49 CO 0.61 0.78 -0.66 -0.06 -0.73 0.00 0.00 179.01 178.95 1uxl s PHE 50 N -5.23 3.03 -0.68 0.92 0.08 -0.25 -4.69 117.98 111.18 1uxl s PHE 50 Ca -0.13 0.04 -0.05 0.00 0.12 0.00 0.00 56.93 56.91 1uxl s PHE 50 Cb 0.11 -1.78 -0.01 0.00 -0.57 0.00 0.00 43.02 40.77 1uxl s PHE 50 CO 0.79 0.33 2.89 0.41 -0.10 0.00 0.00 175.22 179.54 1uxl n GLY 51 N 2.40 4.25 3.09 4.36 0.00 -1.09 -3.70 105.19 114.50 1uxl n GLY 51 Ca -0.18 -1.74 -0.33 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 0.90 4.64 -0.26 1.61 -1.08 -1.26 -4.96 116.67 116.25 1uxl s ASP 52 Ca 0.61 -1.54 0.13 0.00 -0.52 0.00 0.00 52.55 51.23 1uxl s ASP 52 Cb 0.30 -1.61 0.64 0.00 -1.46 0.00 0.00 42.92 40.79 1uxl s ASP 52 CO -0.13 -0.26 1.61 -3.20 0.52 0.00 0.00 175.17 173.71 1uxl n ASN 53 N 4.45 4.18 0.15 -0.34 4.05 -1.26 -2.91 115.26 123.58 1uxl n ASN 53 Ca -0.10 -3.21 0.04 0.00 0.45 0.00 0.00 54.58 51.75 1uxl n ASN 53 Cb 0.42 -0.65 0.44 0.00 1.23 0.00 0.00 39.78 41.23 1uxl n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1uxl h THR 54 N 2.19 1.15 -0.98 -0.44 1.35 -1.93 -2.31 112.91 111.94 1uxl h THR 54 Ca 0.14 -0.65 -0.57 0.00 -0.55 0.00 0.00 66.41 64.78 1uxl h THR 54 Cb 1.87 1.19 -0.42 0.00 -1.73 0.00 0.00 68.15 69.06 1uxl h THR 54 CO 0.47 0.20 -0.68 0.00 -0.25 0.00 0.00 175.52 175.26 1uxl n ALA 55 N -2.50 5.12 -0.66 6.62 0.00 -1.26 -5.06 120.51 122.77 1uxl n ALA 55 Ca -0.01 -3.92 0.00 0.00 0.00 0.00 0.00 53.44 49.51 1uxl n ALA 55 Cb 0.24 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.66 0.50 0.28 0.00 0.00 -0.87 -3.19 105.19 101.26 1uxl n GLY 56 Ca 0.44 -0.80 0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 1.16 0.00 0.00 2.02 -1.89 -2.47 112.91 111.73 1uxl h THR 58 Ca 0.00 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.58 1uxl h THR 58 Cb 0.40 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1uxl h THR 58 CO 0.00 0.20 0.00 -1.54 0.37 0.00 0.00 175.52 174.55 1uxl n SER 59 N -4.34 0.00 0.00 4.18 3.41 -1.10 -3.23 113.62 112.53 1uxl n SER 59 Ca 0.01 -1.12 0.10 0.00 -0.26 0.00 0.00 58.87 57.60 1uxl n SER 59 Cb 0.20 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.60 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 -0.93 1.95 -0.21 7.33 0.00 -0.93 -4.48 120.51 123.24 1uxl n ALA 60 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1uxl n ALA 60 Cb 0.09 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 0.53 -1.33 2.40 0.00 0.00 -1.20 -1.09 105.19 104.50 1uxl n GLY 61 Ca 0.06 -1.26 -0.17 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.17 -0.52 -1.94 1.61 -0.04 -1.26 -4.61 135.00 128.07 1uxl n PRO 62 Ca 0.00 -1.40 -0.38 0.00 -0.04 0.00 0.00 63.50 61.68 1uxl n PRO 62 Cb 0.00 -0.72 0.02 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 2.50 -0.01 0.54 3.76 -1.26 -0.41 115.29 117.90 1uxl s HIS 63 Ca 0.45 1.41 -0.30 0.00 -0.15 0.00 0.00 55.06 56.48 1uxl s HIS 63 Cb -0.02 -3.68 -0.07 0.00 1.11 0.00 0.00 32.58 29.92 1uxl s HIS 63 CO 0.31 -2.45 1.77 0.12 -0.85 0.00 0.00 174.74 173.64 1uxl s PHE 64 N -1.36 1.74 -0.42 1.40 5.36 0.34 -4.44 117.98 120.61 1uxl s PHE 64 Ca 0.67 -0.04 0.09 0.00 -0.96 0.00 0.00 56.93 56.69 1uxl s PHE 64 Cb -0.37 -4.04 0.32 0.00 -0.34 0.00 0.00 43.02 38.59 1uxl s PHE 64 CO 0.45 -4.50 0.87 -1.71 -1.46 0.00 0.00 175.22 168.88 1uxl n ASN 65 N 7.19 -0.78 0.20 6.13 5.15 -1.26 -1.53 115.26 130.35 1uxl n ASN 65 Ca 0.18 -3.27 0.14 0.00 -0.60 0.00 0.00 54.58 51.03 1uxl n ASN 65 Cb 0.42 0.58 0.67 0.00 -0.53 0.00 0.00 39.78 40.92 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 3.18 0.00 -0.70 1.20 0.13 -1.93 -1.66 132.00 132.21 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 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1uxl h PRO 66 CO 0.34 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.39 1uxl n LEU 67 N -2.53 4.02 -4.01 1.56 4.77 -1.26 -4.98 117.00 114.57 1uxl n LEU 67 Ca -0.00 -2.06 -0.27 0.00 -0.03 0.00 0.00 56.01 53.65 1uxl n LEU 67 Cb 0.16 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 1uxl n LEU 67 CO 0.18 0.95 -0.28 -1.20 -1.33 0.00 0.00 177.39 175.72 1uxl n SER 68 N 1.52 -0.20 -4.99 -1.43 7.64 -0.63 -4.97 113.62 110.57 1uxl n SER 68 Ca 0.24 -1.06 -0.19 0.00 1.01 0.00 0.00 58.87 58.87 1uxl n SER 68 Cb 0.65 -2.78 0.03 0.00 -1.01 0.00 0.00 64.21 61.10 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 -6.70 2.59 0.58 1.43 1.81 -1.26 -5.11 118.95 112.29 1uxl s ARG 69 Ca 0.02 -1.26 -0.08 0.00 -1.72 0.00 0.00 55.73 52.69 1uxl s ARG 69 Cb -0.01 -2.66 -0.02 0.00 -0.45 0.00 0.00 34.95 31.81 1uxl s ARG 69 CO 0.91 -0.55 0.93 0.15 -0.68 0.00 0.00 175.30 176.05 1uxl s LYS 70 N -4.54 3.28 0.41 3.54 1.02 -1.26 -4.75 119.74 117.45 1uxl s LYS 70 Ca 0.58 0.33 -0.25 0.00 0.02 0.00 0.00 55.97 56.64 1uxl s LYS 70 Cb -0.09 -2.22 -0.08 0.00 -0.52 0.00 0.00 37.83 34.92 1uxl s LYS 70 CO 0.36 -0.56 1.28 -1.58 -0.92 0.00 0.00 175.35 173.92 1uxl s HIS 71 N -3.02 2.83 0.08 3.18 5.65 -0.17 -3.35 115.29 120.50 1uxl s HIS 71 Ca 0.53 1.44 -0.01 0.00 0.25 0.00 0.00 55.06 57.26 1uxl s HIS 71 Cb -0.11 -3.62 0.01 0.00 -1.18 0.00 0.00 32.58 27.68 1uxl s HIS 71 CO 0.48 -1.98 0.13 0.41 -0.65 0.00 0.00 174.74 173.14 1uxl n GLY 72 N 0.66 2.58 3.95 1.59 0.00 -1.25 -4.31 105.19 108.41 1uxl n GLY 72 Ca 0.04 -1.33 -0.24 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.48 1.62 0.61 -0.02 0.00 -1.20 -4.64 107.32 102.21 1uxl s GLY 73 Ca 0.06 -1.00 0.37 0.00 0.00 0.00 0.00 44.72 44.14 1uxl s GLY 73 CO 0.04 -0.78 2.23 -0.56 0.00 0.00 0.00 173.10 174.04 1uxl h PRO 74 N 0.17 0.00 0.00 2.90 0.13 -1.86 -1.77 132.00 131.57 1uxl h PRO 74 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1uxl h PRO 74 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1uxl h PRO 74 CO 0.57 0.03 0.00 1.63 -0.23 0.00 0.00 178.00 180.00 1uxl n LYS 75 N -3.33 0.18 -2.93 0.86 5.02 -1.26 -4.88 118.16 111.82 1uxl n LYS 75 Ca -0.02 0.15 -0.35 0.00 -2.02 0.00 0.00 58.31 56.07 1uxl n LYS 75 Cb 0.14 -1.71 -0.06 0.00 -0.02 0.00 0.00 35.03 33.38 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 -4.06 7.07 0.10 4.39 1.01 -0.67 -4.97 116.67 119.55 1uxl s ASP 76 Ca 0.12 1.60 -0.16 0.00 0.71 0.00 0.00 52.55 54.82 1uxl s ASP 76 Cb 0.14 -2.49 -0.06 0.00 1.01 0.00 0.00 42.92 41.52 1uxl s ASP 76 CO 0.57 -0.14 1.50 -0.08 0.21 0.00 0.00 175.17 177.22 1uxl h GLU 77 N 2.74 0.64 -5.80 8.23 4.22 -1.89 -3.37 114.58 119.34 1uxl h GLU 77 Ca -0.48 -0.25 -0.60 0.00 0.08 0.00 0.00 59.36 58.11 1uxl h GLU 77 Cb 1.19 -0.03 -0.12 0.00 0.50 0.00 0.00 28.75 30.28 1uxl h GLU 77 CO 0.64 0.82 0.92 -2.00 -2.18 0.00 0.00 179.01 177.21 1uxl s GLU 78 N -4.74 3.29 0.18 1.92 2.56 -1.26 -4.92 118.70 115.73 1uxl s GLU 78 Ca -0.13 -0.83 -0.19 0.00 0.00 0.00 0.00 54.97 53.83 1uxl s GLU 78 Cb 0.09 -4.51 0.04 0.00 2.00 0.00 0.00 34.13 31.75 1uxl s GLU 78 CO 0.79 -1.99 0.53 -0.98 -0.56 0.00 0.00 175.26 173.06 1uxl s ARG 79 N 4.57 1.32 0.49 4.30 1.70 -1.22 -3.88 118.95 126.23 1uxl s ARG 79 Ca 0.32 -0.74 -0.20 0.00 -0.47 0.00 0.00 55.73 54.65 1uxl s ARG 79 Cb -0.09 0.53 -0.08 0.00 -0.57 0.00 0.00 34.95 34.74 1uxl s ARG 79 CO 0.05 -0.56 1.02 -1.01 -1.08 0.00 0.00 175.30 173.72 1uxl s HIS 80 N -3.83 3.08 0.32 5.89 3.76 -1.21 -4.70 115.29 118.60 1uxl s HIS 80 Ca 0.06 1.57 0.04 0.00 -0.15 0.00 0.00 55.06 56.58 1uxl s HIS 80 Cb -0.01 -3.00 0.65 0.00 1.11 0.00 0.00 32.58 31.33 1uxl s HIS 80 CO -0.07 -0.70 1.89 0.28 -0.85 0.00 0.00 174.74 175.29 1uxl h VAL 81 N 1.47 0.96 0.00 -0.90 2.07 -1.84 -1.80 116.25 116.22 1uxl h VAL 81 Ca -0.49 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1uxl h VAL 81 Cb 1.21 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1uxl h VAL 81 CO 0.59 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.95 1uxl n GLY 82 N -1.41 -0.82 3.51 2.17 0.00 -0.58 -4.33 105.19 103.73 1uxl n GLY 82 Ca 0.15 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.62 6.31 -0.02 1.61 1.01 -0.68 -0.95 116.67 122.33 1uxl s ASP 83 Ca 0.21 -1.10 0.21 0.00 0.71 0.00 0.00 52.55 52.59 1uxl s ASP 83 Cb 0.10 -2.49 0.63 0.00 1.01 0.00 0.00 42.92 42.17 1uxl s ASP 83 CO 0.16 -1.52 1.53 0.18 0.21 0.00 0.00 175.17 175.74 1uxl n LEU 84 N 8.29 4.01 0.00 1.23 4.77 -1.08 -3.49 117.00 130.73 1uxl n LEU 84 Ca 0.11 -2.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.02 1uxl n LEU 84 Cb 0.48 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1uxl n LEU 84 CO 0.64 0.94 0.00 0.61 -1.33 0.00 0.00 177.39 178.26 1uxl n GLY 85 N 1.47 0.59 3.54 -0.72 0.00 -1.20 -4.79 105.19 104.09 1uxl n GLY 85 Ca 0.24 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 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 4.11 0.19 1.61 0.01 -1.26 -0.50 114.94 115.10 1uxl s ASN 86 Ca 0.00 -0.63 0.10 0.00 -0.71 0.00 0.00 52.86 51.62 1uxl s ASN 86 Cb 0.00 -0.64 -0.04 0.00 0.41 0.00 0.00 41.25 40.98 1uxl s ASN 86 CO 0.00 0.11 -0.15 0.68 -1.51 0.00 0.00 177.10 176.23 1uxl s VAL 87 N -1.70 2.86 -0.19 1.60 -7.23 -0.29 -4.91 120.40 110.55 1uxl s VAL 87 Ca 0.24 -1.83 -0.02 0.00 -1.81 0.00 0.00 61.98 58.56 1uxl s VAL 87 Cb -0.09 -2.41 -0.00 0.00 0.56 0.00 0.00 36.38 34.44 1uxl s VAL 87 CO 0.14 -0.13 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.82 1uxl s THR 88 N -1.73 3.05 -0.00 5.32 2.01 -1.26 -0.75 115.64 122.27 1uxl s THR 88 Ca 0.24 -0.62 -0.17 0.00 0.31 0.00 0.00 61.69 61.45 1uxl s THR 88 Cb -0.08 -2.34 -0.06 0.00 0.01 0.00 0.00 72.50 70.03 1uxl s THR 88 CO 0.13 0.47 0.48 0.00 -0.69 0.00 0.00 174.62 175.02 1uxl s ALA 89 N 1.16 3.60 0.87 7.40 0.00 -0.10 -4.19 121.76 130.50 1uxl s ALA 89 Ca 0.02 -0.12 -0.07 0.00 0.00 0.00 0.00 51.96 51.78 1uxl s ALA 89 Cb -0.14 -2.54 0.13 0.00 0.00 0.00 0.00 23.12 20.57 1uxl s ALA 89 CO -0.03 0.34 0.82 -0.40 0.00 0.00 0.00 175.76 176.49 1uxl n ASP 90 N 2.23 0.36 0.19 0.00 5.68 0.04 -1.23 116.55 123.83 1uxl n ASP 90 Ca -0.11 -1.48 0.14 0.00 -0.50 0.00 0.00 54.79 52.84 1uxl n ASP 90 Cb 0.52 -0.60 0.66 0.00 -1.14 0.00 0.00 41.12 40.56 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 -0.23 0.11 2.10 -1.97 -1.12 116.57 115.46 1uxl h LYS 91 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 1uxl h LYS 91 Cb 0.81 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1uxl h LYS 91 CO 0.22 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.42 1uxl n ASP 92 N -2.49 1.98 0.00 7.07 8.00 -1.26 -4.91 116.55 124.94 1uxl n ASP 92 Ca -0.00 -1.79 0.00 0.00 0.71 0.00 0.00 54.79 53.70 1uxl n ASP 92 Cb 0.15 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 1.18 0.51 3.36 0.44 0.00 -0.42 -4.84 105.19 105.42 1uxl n GLY 93 Ca 0.16 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 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 2.97 -0.37 1.61 1.01 -1.26 -1.74 120.40 120.62 1uxl s VAL 94 Ca 0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 1uxl s VAL 94 Cb 0.00 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.15 1uxl s VAL 94 CO 0.00 0.53 0.25 0.00 0.00 0.00 0.00 175.10 175.88 1uxl s ALA 95 N 0.30 3.44 -0.90 5.51 0.00 0.67 -0.78 121.76 130.00 1uxl s ALA 95 Ca -0.11 -1.58 -0.19 0.00 0.00 0.00 0.00 51.96 50.09 1uxl s ALA 95 Cb -0.16 -2.73 0.13 0.00 0.00 0.00 0.00 23.12 20.37 1uxl s ALA 95 CO 0.06 -1.24 1.08 -0.51 0.00 0.00 0.00 175.76 175.15 1uxl s ASP 96 N 1.67 6.61 0.17 0.00 1.01 -1.26 -0.96 116.67 123.91 1uxl s ASP 96 Ca 0.05 -2.04 -0.30 0.00 0.71 0.00 0.00 52.55 50.97 1uxl s ASP 96 Cb -0.18 -2.38 -0.08 0.00 1.01 0.00 0.00 42.92 41.29 1uxl s ASP 96 CO 0.09 -1.04 1.23 -0.69 0.21 0.00 0.00 175.17 174.97 1uxl s VAL 97 N 2.54 3.56 -0.27 -1.27 1.01 0.10 -4.91 120.40 121.16 1uxl s VAL 97 Ca 0.31 1.26 -0.00 0.00 0.00 0.00 0.00 61.98 63.55 1uxl s VAL 97 Cb -0.06 -3.81 0.15 0.00 0.00 0.00 0.00 36.38 32.67 1uxl s VAL 97 CO -0.08 0.18 0.42 -0.55 0.00 0.00 0.00 175.10 175.07 1uxl s SER 98 N 0.34 0.03 0.04 3.32 0.15 -1.25 -1.94 113.70 114.39 1uxl s SER 98 Ca 0.55 0.06 0.02 0.00 0.70 0.00 0.00 55.95 57.28 1uxl s SER 98 Cb -0.33 1.27 -0.02 0.00 -1.71 0.00 0.00 66.02 65.23 1uxl s SER 98 CO 0.35 -0.32 -0.08 -0.63 1.20 0.00 0.00 173.24 173.77 1uxl s ILE 99 N 2.59 0.54 -0.05 6.45 1.01 0.06 -5.01 121.20 126.80 1uxl s ILE 99 Ca 0.12 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.82 1uxl s ILE 99 Cb -0.14 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.74 1uxl s ILE 99 CO -0.22 -0.32 -0.15 -0.70 0.00 0.00 0.00 174.94 173.55 1uxl s GLU 100 N -1.41 1.74 -0.01 2.79 2.12 -1.26 -0.32 118.70 122.36 1uxl s GLU 100 Ca -0.08 -0.52 0.00 0.00 0.36 0.00 0.00 54.97 54.73 1uxl s GLU 100 Cb -0.09 -1.47 0.01 0.00 0.26 0.00 0.00 34.13 32.83 1uxl s GLU 100 CO 0.00 0.15 0.00 0.34 -0.54 0.00 0.00 175.26 175.21 1uxl s ASP 101 N 0.30 0.05 0.00 -1.70 2.15 -0.47 -4.96 116.67 112.04 1uxl s ASP 101 Ca -0.09 0.00 0.14 0.00 0.43 0.00 0.00 52.55 53.04 1uxl s ASP 101 Cb -0.13 -0.02 0.37 0.00 -0.30 0.00 0.00 42.92 42.83 1uxl s ASP 101 CO 0.03 -0.03 1.30 -1.20 -0.17 0.00 0.00 175.17 175.10 1uxl n SER 102 N 3.33 3.11 -0.13 -0.34 7.64 -1.26 -0.41 113.62 125.56 1uxl n SER 102 Ca -0.16 -1.96 -0.22 0.00 1.01 0.00 0.00 58.87 57.54 1uxl n SER 102 Cb 0.58 -0.27 -0.11 0.00 -1.01 0.00 0.00 64.21 63.40 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 0.81 1.44 -1.01 0.44 0.31 -1.26 -4.89 118.33 114.17 1uxl n VAL 103 Ca 0.14 -0.47 -0.31 0.00 -0.01 0.00 0.00 64.34 63.69 1uxl n VAL 103 Cb 0.47 -1.58 0.14 0.00 -0.91 0.00 0.00 33.84 31.95 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 2.69 0.18 2.52 -4.36 -1.26 -4.86 121.20 113.62 1uxl s ILE 104 Ca -0.35 0.22 -0.13 0.00 -0.26 0.00 0.00 60.65 60.14 1uxl s ILE 104 Cb 0.11 -2.52 0.01 0.00 1.25 0.00 0.00 42.46 41.31 1uxl s ILE 104 CO 0.53 -0.29 0.39 -0.55 0.24 0.00 0.00 174.94 175.26 1uxl s SER 105 N -3.09 -0.08 -0.06 4.36 0.15 -1.00 -4.64 113.70 109.33 1uxl s SER 105 Ca 0.64 -0.71 0.16 0.00 0.70 0.00 0.00 55.95 56.73 1uxl s SER 105 Cb -0.20 0.50 0.52 0.00 -1.71 0.00 0.00 66.02 65.13 1uxl s SER 105 CO 0.57 -0.97 1.44 0.18 1.20 0.00 0.00 173.24 175.66 1uxl n LEU 106 N -0.27 3.79 -3.93 3.45 4.77 -1.26 -1.48 117.00 122.06 1uxl n LEU 106 Ca -0.08 -2.30 -0.09 0.00 -0.03 0.00 0.00 56.01 53.51 1uxl n LEU 106 Cb 0.63 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 1uxl n LEU 106 CO 0.21 0.79 0.19 -0.94 -1.33 0.00 0.00 177.39 176.31 1uxl s SER 107 N -1.13 -0.12 0.43 -1.43 1.04 -1.26 -4.88 113.70 106.34 1uxl s SER 107 Ca 0.39 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1uxl s SER 107 Cb 0.24 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.93 1uxl s SER 107 CO 0.20 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.93 1uxl n GLY 108 N -0.36 -0.78 0.27 7.32 0.00 -1.26 -3.23 105.19 107.15 1uxl n GLY 108 Ca -0.04 -1.14 0.17 0.00 0.00 0.00 0.00 46.02 45.00 1uxl n GLY 108 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1uxl h ASP 109 N 0.00 0.00 -0.48 1.61 3.04 -2.01 -1.61 116.42 116.96 1uxl h ASP 109 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1uxl h ASP 109 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1uxl h ASP 109 CO 0.00 0.00 0.00 1.41 -2.04 0.00 0.00 179.24 178.61 1uxl n HIS 110 N -3.04 1.01 -1.76 4.15 8.25 -1.26 -4.97 115.22 117.60 1uxl n HIS 110 Ca 0.01 -0.42 -0.42 0.00 -0.26 0.00 0.00 57.72 56.63 1uxl n HIS 110 Cb 0.32 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 31.25 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 3.79 0.00 -1.87 0.00 -5.35 -0.55 -4.92 119.36 110.47 1uxl n ILE 112 Ca 0.15 -0.05 -0.41 0.00 -0.27 0.00 0.00 62.75 62.16 1uxl n ILE 112 Cb 0.36 1.03 -0.01 0.00 -1.74 0.00 0.00 39.64 39.28 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 -2.90 2.25 0.00 7.28 -4.23 -1.26 -1.42 115.64 115.36 1uxl s THR 113 Ca 0.10 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 1uxl s THR 113 Cb 0.16 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.86 1uxl s THR 113 CO 0.81 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 175.54 1uxl n GLY 114 N 1.62 0.90 1.55 3.99 0.00 0.63 -5.00 105.19 108.89 1uxl n GLY 114 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 1.04 -5.04 1.61 1.74 -0.51 -2.66 116.66 110.84 1uxl n ARG 115 Ca 0.00 -1.34 -0.32 0.00 -0.77 0.00 0.00 57.85 55.42 1uxl n ARG 115 Cb 0.00 0.05 -0.16 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 -0.84 2.48 -0.05 0.55 2.01 -1.05 -0.58 115.64 118.17 1uxl s THR 116 Ca 0.17 -0.88 -0.18 0.00 0.31 0.00 0.00 61.69 61.12 1uxl s THR 116 Cb -0.01 -1.98 -0.05 0.00 0.01 0.00 0.00 72.50 70.46 1uxl s THR 116 CO 0.11 0.55 0.48 -0.22 -0.69 0.00 0.00 174.62 174.85 1uxl s LEU 117 N 0.23 4.38 -0.04 4.42 2.96 -0.22 0.06 118.68 130.47 1uxl s LEU 117 Ca -0.13 0.96 0.03 0.00 -0.22 0.00 0.00 54.13 54.77 1uxl s LEU 117 Cb -0.16 -2.72 0.00 0.00 0.50 0.00 0.00 46.19 43.81 1uxl s LEU 117 CO 0.07 0.14 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.41 1uxl s VAL 118 N -0.16 1.14 -0.11 1.68 1.01 0.23 -1.96 120.40 122.24 1uxl s VAL 118 Ca 0.26 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 1uxl s VAL 118 Cb -0.16 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1uxl s VAL 118 CO 0.13 0.34 -0.01 0.54 0.00 0.00 0.00 175.10 176.10 1uxl s VAL 119 N 0.24 4.18 0.33 2.92 0.11 -0.68 -1.71 120.40 125.79 1uxl s VAL 119 Ca -0.06 -0.28 0.07 0.00 -2.93 0.00 0.00 61.98 58.78 1uxl s VAL 119 Cb -0.12 -2.78 -0.03 0.00 -1.53 0.00 0.00 36.38 31.93 1uxl s VAL 119 CO 0.02 0.57 0.28 -1.00 -3.33 0.00 0.00 175.10 171.63 1uxl s HIS 120 N -0.49 2.91 0.14 1.54 3.76 0.07 -1.22 115.29 121.99 1uxl s HIS 120 Ca 0.08 -0.29 -0.15 0.00 -0.15 0.00 0.00 55.06 54.55 1uxl s HIS 120 Cb -0.12 -1.76 0.01 0.00 1.11 0.00 0.00 32.58 31.82 1uxl s HIS 120 CO 0.02 0.22 1.68 1.49 -0.85 0.00 0.00 174.74 177.29 1uxl h GLU 121 N 1.28 0.66 -5.29 1.40 4.81 -0.77 -3.37 114.58 113.31 1uxl h GLU 121 Ca -0.45 -0.13 -0.66 0.00 -0.13 0.00 0.00 59.36 57.99 1uxl h GLU 121 Cb 1.25 -0.10 -0.13 0.00 0.63 0.00 0.00 28.75 30.40 1uxl h GLU 121 CO 0.59 0.63 -0.54 0.15 -0.73 0.00 0.00 179.01 179.11 1uxl s LYS 122 N -5.48 2.12 0.54 1.92 1.02 0.28 -4.90 119.74 115.25 1uxl s LYS 122 Ca -0.13 -2.32 -0.20 0.00 0.02 0.00 0.00 55.97 53.34 1uxl s LYS 122 Cb 0.11 -1.48 -0.05 0.00 -0.52 0.00 0.00 37.83 35.88 1uxl s LYS 122 CO 0.76 -0.30 1.16 0.00 -0.92 0.00 0.00 175.35 176.06 1uxl s ALA 123 N -2.87 2.70 -0.12 5.17 0.00 -1.18 -0.91 121.76 124.54 1uxl s ALA 123 Ca 0.14 0.90 -0.24 0.00 0.00 0.00 0.00 51.96 52.76 1uxl s ALA 123 Cb 0.04 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1uxl s ALA 123 CO 0.07 -0.87 0.75 0.34 0.00 0.00 0.00 175.76 176.06 1uxl s ASP 124 N -1.65 6.96 0.00 0.00 -1.08 -1.26 -3.86 116.67 115.78 1uxl s ASP 124 Ca 0.73 1.16 0.15 0.00 -0.52 0.00 0.00 52.55 54.07 1uxl s ASP 124 Cb -0.27 -2.43 0.67 0.00 -1.46 0.00 0.00 42.92 39.44 1uxl s ASP 124 CO 0.30 -0.25 1.46 -0.90 0.52 0.00 0.00 175.17 176.31 1uxl n ASP 125 N 4.47 0.82 -1.95 -0.34 5.68 0.35 -4.88 116.55 120.69 1uxl n ASP 125 Ca 0.01 -1.71 -0.19 0.00 -0.50 0.00 0.00 54.79 52.41 1uxl n ASP 125 Cb 0.50 -0.07 -0.03 0.00 -1.14 0.00 0.00 41.12 40.38 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 -0.18 -1.72 0.00 -2.12 4.77 -1.26 -1.94 117.00 114.54 1uxl n LEU 126 Ca 0.12 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1uxl n LEU 126 Cb 0.17 -2.69 0.00 0.00 -2.33 0.00 0.00 43.42 38.57 1uxl n LEU 126 CO 0.09 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.34 1uxl n GLY 127 N -0.91 0.48 0.94 -0.72 0.00 -1.25 -3.23 105.19 100.50 1uxl n GLY 127 Ca -0.21 -0.29 0.08 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.97 3.05 0.03 1.61 5.02 -0.82 -4.62 118.16 119.46 1uxl n LYS 128 Ca 0.00 -2.82 0.13 0.00 -2.02 0.00 0.00 58.31 53.60 1uxl n LYS 128 Cb 0.00 -1.84 0.36 0.00 -0.02 0.00 0.00 35.03 33.53 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 -0.37 -1.44 3.47 0.72 0.00 -1.26 -4.94 105.19 101.37 1uxl n GLY 129 Ca 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 1.43 2.92 3.99 -0.02 0.00 -1.26 -4.97 105.19 107.28 1uxl n GLY 130 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.67 4.95 0.23 1.61 4.22 -1.26 -5.03 114.94 118.99 1uxl s ASN 131 Ca 0.00 -0.29 -0.07 0.00 -2.14 0.00 0.00 52.86 50.36 1uxl s ASN 131 Cb 0.00 -0.39 0.27 0.00 1.28 0.00 0.00 41.25 42.41 1uxl s ASN 131 CO 0.00 -1.40 1.86 -0.33 -2.04 0.00 0.00 177.10 175.19 1uxl h GLU 132 N -0.09 0.95 0.00 3.55 5.08 -2.02 -2.06 114.58 119.99 1uxl h GLU 132 Ca -0.38 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1uxl h GLU 132 Cb 1.28 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1uxl h GLU 132 CO 0.46 0.63 -0.01 1.49 -1.00 0.00 0.00 179.01 180.57 1uxl h GLU 133 N 0.98 0.00 -0.16 2.33 4.57 -1.99 -2.88 114.58 117.44 1uxl h GLU 133 Ca 0.34 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.36 1uxl h GLU 133 Cb 0.07 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1uxl h GLU 133 CO -0.14 0.01 -0.59 1.03 -1.18 0.00 0.00 179.01 178.15 1uxl h SER 134 N 0.00 0.57 0.70 1.04 0.87 -1.71 -0.34 113.55 114.67 1uxl h SER 134 Ca -0.00 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1uxl h SER 134 Cb 0.04 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1uxl h SER 134 CO 0.00 1.03 0.00 0.41 -0.53 0.00 0.00 176.83 177.74 1uxl n THR 135 N -3.93 0.52 -0.07 2.23 -1.04 -1.09 -2.21 114.28 108.69 1uxl n THR 135 Ca -0.03 0.13 -0.15 0.00 -2.04 0.00 0.00 64.05 61.96 1uxl n THR 135 Cb 0.62 -0.76 -0.05 0.00 -1.82 0.00 0.00 70.33 68.32 1uxl n THR 135 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1uxl n LYS 136 N -1.48 0.35 0.00 -2.82 5.02 -0.48 -1.00 118.16 117.75 1uxl n LYS 136 Ca 0.06 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1uxl n LYS 136 Cb 0.24 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 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 -3.83 0.00 -1.08 -0.18 -2.24 -0.26 -4.69 114.28 102.00 1uxl n THR 137 Ca -0.27 -0.31 -0.03 0.00 -2.27 0.00 0.00 64.05 61.17 1uxl n THR 137 Cb 0.63 1.23 -0.01 0.00 -2.10 0.00 0.00 70.33 70.08 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 0.25 0.54 2.97 3.38 0.00 -0.94 -3.24 105.19 108.14 1uxl n GLY 138 Ca 0.00 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.09 -6.10 -0.14 1.61 3.02 -1.26 -0.50 115.26 111.82 1uxl n ASN 139 Ca -0.03 -0.27 0.15 0.00 -0.03 0.00 0.00 54.58 54.40 1uxl n ASN 139 Cb 0.23 -4.92 0.78 0.00 -0.61 0.00 0.00 39.78 35.27 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 -3.47 2.65 -0.39 5.41 0.00 -1.20 -4.70 120.51 118.81 1uxl n ALA 140 Ca -0.12 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1uxl n ALA 140 Cb 0.62 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.35 3.70 0.00 0.00 -1.26 -0.55 105.19 107.75 1uxl n GLY 141 Ca 0.21 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 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 3.40 -0.48 1.61 1.04 -1.26 -4.57 113.70 109.44 1uxl s SER 142 Ca 0.00 1.73 -0.20 0.00 0.48 0.00 0.00 55.95 57.96 1uxl s SER 142 Cb 0.00 -2.36 0.04 0.00 0.10 0.00 0.00 66.02 63.80 1uxl s SER 142 CO 0.00 -2.72 0.66 -0.13 0.98 0.00 0.00 173.24 172.03 1uxl s ARG 143 N -4.82 3.20 0.08 4.02 0.52 -1.26 -0.72 118.95 119.97 1uxl s ARG 143 Ca 0.64 -0.62 -0.06 0.00 -0.52 0.00 0.00 55.73 55.17 1uxl s ARG 143 Cb -0.19 -4.03 -0.26 0.00 0.52 0.00 0.00 34.95 30.99 1uxl s ARG 143 CO 0.58 -1.16 1.16 -0.07 0.02 0.00 0.00 175.30 175.82 1uxl h LEU 144 N 9.83 0.50 -7.03 2.53 3.38 -1.47 -3.48 115.31 119.57 1uxl h LEU 144 Ca -0.26 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.17 1uxl h LEU 144 Cb 1.09 -0.16 -0.13 0.00 0.09 0.00 0.00 40.66 41.55 1uxl h LEU 144 CO 0.95 1.38 0.18 0.00 0.09 0.00 0.00 178.44 181.04 1uxl s ALA 145 N -2.77 -1.57 0.25 1.53 0.00 -1.17 -4.15 121.76 113.87 1uxl s ALA 145 Ca -0.05 0.57 -0.21 0.00 0.00 0.00 0.00 51.96 52.27 1uxl s ALA 145 Cb 0.07 0.74 0.03 0.00 0.00 0.00 0.00 23.12 23.96 1uxl s ALA 145 CO 0.89 -0.70 0.68 0.00 0.00 0.00 0.00 175.76 176.63 1uxl s GLY 147 N -2.88 -0.54 0.07 0.00 0.00 -0.83 -1.51 107.32 101.62 1uxl s GLY 147 Ca 0.09 0.77 -0.27 0.00 0.00 0.00 0.00 44.72 45.30 1uxl s GLY 147 CO 0.02 0.27 0.86 0.14 0.00 0.00 0.00 173.10 174.40 1uxl s VAL 148 N -3.36 4.65 -0.15 1.40 1.01 -1.26 -1.06 120.40 121.63 1uxl s VAL 148 Ca 0.02 1.85 -0.29 0.00 0.00 0.00 0.00 61.98 63.57 1uxl s VAL 148 Cb -0.01 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1uxl s VAL 148 CO -0.10 0.33 0.99 -0.63 0.00 0.00 0.00 175.10 175.69 1uxl s ILE 149 N 0.06 4.77 0.22 2.22 1.01 0.26 -4.53 121.20 125.20 1uxl s ILE 149 Ca 0.43 1.99 0.10 0.00 0.00 0.00 0.00 60.65 63.17 1uxl s ILE 149 Cb -0.22 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 37.92 1uxl s ILE 149 CO 0.26 -0.04 -0.15 -0.83 0.00 0.00 0.00 174.94 174.18 1uxl s GLY 150 N 1.13 1.74 0.18 6.18 0.00 0.01 -0.27 107.32 116.30 1uxl s GLY 150 Ca 0.46 -1.63 -0.31 0.00 0.00 0.00 0.00 44.72 43.24 1uxl s GLY 150 CO 0.14 -1.67 1.42 -0.42 0.00 0.00 0.00 173.10 172.56 1uxl s ILE 151 N -1.94 2.98 0.21 0.90 1.01 -1.26 -0.77 121.20 122.34 1uxl s ILE 151 Ca 0.26 0.76 0.11 0.00 0.00 0.00 0.00 60.65 61.78 1uxl s ILE 151 Cb -0.07 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 1uxl s ILE 151 CO 0.14 0.09 -0.22 0.00 0.00 0.00 0.00 174.94 174.95 1uxl s ALA 152 N 0.58 2.61 -2.00 9.38 0.00 -0.62 -4.79 121.76 126.91 1uxl s ALA 152 Ca 0.62 -1.68 0.24 0.00 0.00 0.00 0.00 51.96 51.14 1uxl s ALA 152 Cb -0.39 -0.34 1.43 0.00 0.00 0.00 0.00 23.12 23.81 1uxl s ALA 152 CO 0.36 0.40 1.79 0.94 0.00 0.00 0.00 175.76 179.25