#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 5.05 0.03 0.00 2.01 -0.31 -4.94 115.64 117.49 1uxl s THR 2 Ca 0.00 0.87 0.04 0.00 0.31 0.00 0.00 61.69 62.91 1uxl s THR 2 Cb 0.00 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 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 -0.71 0.82 0.18 4.92 1.02 -1.26 -0.59 119.74 124.12 1uxl s LYS 3 Ca 0.24 -0.70 -0.02 0.00 0.02 0.00 0.00 55.97 55.51 1uxl s LYS 3 Cb -0.16 -0.79 -0.04 0.00 -0.52 0.00 0.00 37.83 36.32 1uxl s LYS 3 CO 0.13 0.19 0.14 0.00 -0.92 0.00 0.00 175.35 174.89 1uxl s ALA 4 N -0.85 0.89 0.05 5.17 0.00 -0.44 -1.45 121.76 125.13 1uxl s ALA 4 Ca -0.00 -1.51 -0.18 0.00 0.00 0.00 0.00 51.96 50.26 1uxl s ALA 4 Cb -0.08 1.16 0.04 0.00 0.00 0.00 0.00 23.12 24.25 1uxl s ALA 4 CO 0.01 -0.58 0.43 0.54 0.00 0.00 0.00 175.76 176.16 1uxl s VAL 5 N -4.10 0.05 -0.11 0.00 0.11 0.19 -1.09 120.40 115.46 1uxl s VAL 5 Ca 0.32 -0.44 -0.05 0.00 -2.93 0.00 0.00 61.98 58.87 1uxl s VAL 5 Cb 0.06 -0.97 0.05 0.00 -1.53 0.00 0.00 36.38 33.99 1uxl s VAL 5 CO 0.08 -0.24 0.25 0.00 -3.33 0.00 0.00 175.10 171.85 1uxl s VAL 7 N 1.35 4.87 -0.14 0.00 1.01 -1.26 -0.75 120.40 125.47 1uxl s VAL 7 Ca -0.09 -0.16 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 1uxl s VAL 7 Cb -0.10 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1uxl s VAL 7 CO -0.09 0.16 0.41 -0.76 0.00 0.00 0.00 175.10 174.83 1uxl s LEU 8 N 1.68 4.25 0.05 3.92 1.02 0.31 -3.94 118.68 125.97 1uxl s LEU 8 Ca 0.06 0.69 -0.04 0.00 0.02 0.00 0.00 54.13 54.86 1uxl s LEU 8 Cb -0.16 -2.58 -0.02 0.00 0.02 0.00 0.00 46.19 43.45 1uxl s LEU 8 CO 0.08 0.02 0.05 -0.54 0.02 0.00 0.00 176.35 175.97 1uxl s LYS 9 N 0.66 0.60 0.00 1.70 1.02 -0.41 -1.72 119.74 121.60 1uxl s LYS 9 Ca 0.22 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.27 1uxl s LYS 9 Cb -0.14 0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.39 1uxl s LYS 9 CO 0.08 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 1uxl n GLY 10 N 0.50 3.70 0.16 -3.33 0.00 -1.24 -1.22 105.19 103.77 1uxl n GLY 10 Ca -0.17 -1.18 0.12 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.31 1.61 3.32 -1.92 -3.47 116.42 115.65 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 1.19 3.78 0.05 2.75 0.00 -1.26 -5.03 105.19 106.67 1uxl n GLY 12 Ca 0.04 -1.89 0.14 0.00 0.00 0.00 0.00 46.02 44.31 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 0.47 -2.37 1.61 -0.04 -1.26 -4.88 135.00 128.54 1uxl n PRO 13 Ca 0.00 -0.10 -0.42 0.00 -0.04 0.00 0.00 63.50 62.94 1uxl n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 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 -2.59 4.10 0.02 0.52 1.01 -1.26 -4.33 120.40 117.86 1uxl s VAL 14 Ca 0.26 1.41 -0.19 0.00 0.00 0.00 0.00 61.98 63.46 1uxl s VAL 14 Cb 0.20 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.71 1uxl s VAL 14 CO 0.49 -0.04 0.43 0.00 0.00 0.00 0.00 175.10 175.98 1uxl s GLN 15 N 2.71 0.89 0.02 2.72 -2.07 -0.80 -3.62 119.66 119.51 1uxl s GLN 15 Ca 0.58 -0.23 -0.20 0.00 -1.82 0.00 0.00 55.36 53.69 1uxl s GLN 15 Cb -0.26 0.40 0.07 0.00 -1.09 0.00 0.00 33.01 32.13 1uxl s GLN 15 CO 0.21 -0.29 0.91 0.41 -1.32 0.00 0.00 175.29 175.22 1uxl n GLY 16 N 0.72 0.43 2.90 2.60 0.00 -0.70 -0.51 105.19 110.63 1uxl n GLY 16 Ca -0.19 -1.02 -0.21 0.00 0.00 0.00 0.00 46.02 44.60 1uxl n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uxl s ILE 17 N -2.08 0.59 -0.08 -0.61 1.01 -0.54 -0.53 121.20 118.95 1uxl s ILE 17 Ca 0.21 -0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.75 1uxl s ILE 17 Cb -0.01 -0.61 0.01 0.00 0.01 0.00 0.00 42.46 41.86 1uxl s ILE 17 CO 0.01 0.24 -0.17 -0.63 0.00 0.00 0.00 174.94 174.39 1uxl s ILE 18 N 0.97 1.54 0.09 2.92 -1.09 0.07 -1.92 121.20 123.78 1uxl s ILE 18 Ca -0.10 -0.71 0.02 0.00 -2.23 0.00 0.00 60.65 57.63 1uxl s ILE 18 Cb -0.14 -1.37 -0.04 0.00 -1.58 0.00 0.00 42.46 39.33 1uxl s ILE 18 CO -0.00 0.44 0.15 0.20 -1.23 0.00 0.00 174.94 174.50 1uxl s ASN 19 N 0.57 5.86 -0.01 3.58 -0.87 0.12 -0.75 114.94 123.45 1uxl s ASN 19 Ca -0.15 0.08 0.03 0.00 -1.57 0.00 0.00 52.86 51.25 1uxl s ASN 19 Cb -0.17 -1.67 -0.01 0.00 -0.02 0.00 0.00 41.25 39.39 1uxl s ASN 19 CO 0.05 0.15 -0.11 -0.36 -2.57 0.00 0.00 177.10 174.26 1uxl s PHE 20 N -1.51 1.01 -0.10 2.20 0.40 -0.25 -1.34 117.98 118.39 1uxl s PHE 20 Ca 0.32 -0.20 -0.05 0.00 -0.60 0.00 0.00 56.93 56.40 1uxl s PHE 20 Cb -0.12 -0.66 0.05 0.00 0.51 0.00 0.00 43.02 42.80 1uxl s PHE 20 CO 0.25 -0.03 0.23 -2.00 0.70 0.00 0.00 175.22 174.36 1uxl s GLU 21 N -0.19 0.18 -0.28 0.44 2.12 -0.47 -1.33 118.70 119.18 1uxl s GLU 21 Ca 0.03 0.50 0.01 0.00 0.36 0.00 0.00 54.97 55.87 1uxl s GLU 21 Cb -0.05 -0.13 0.08 0.00 0.26 0.00 0.00 34.13 34.29 1uxl s GLU 21 CO -0.00 -0.17 0.02 -1.14 -0.54 0.00 0.00 175.26 173.44 1uxl s GLN 22 N 1.26 1.23 0.22 4.30 0.74 0.24 -0.87 119.66 126.78 1uxl s GLN 22 Ca -0.09 -1.18 -0.04 0.00 0.05 0.00 0.00 55.36 54.10 1uxl s GLN 22 Cb -0.11 -2.50 0.20 0.00 1.10 0.00 0.00 33.01 31.70 1uxl s GLN 22 CO -0.08 -0.80 1.65 0.87 -0.55 0.00 0.00 175.29 176.38 1uxl h LYS 23 N 7.94 0.79 -6.00 1.67 1.79 -1.83 -0.80 116.57 120.14 1uxl h LYS 23 Ca -0.13 -0.30 -0.58 0.00 -2.18 0.00 0.00 60.65 57.46 1uxl h LYS 23 Cb 1.04 -0.05 -0.27 0.00 -1.58 0.00 0.00 32.23 31.38 1uxl h LYS 23 CO 0.45 0.91 -0.84 -2.00 -1.08 0.00 0.00 179.45 176.89 1uxl s GLU 24 N -4.68 1.45 0.35 3.15 2.12 -1.26 -4.19 118.70 115.64 1uxl s GLU 24 Ca -0.09 -0.85 -0.29 0.00 0.36 0.00 0.00 54.97 54.10 1uxl s GLU 24 Cb 0.13 -1.50 -0.11 0.00 0.26 0.00 0.00 34.13 32.91 1uxl s GLU 24 CO 0.83 0.39 1.43 -1.54 -0.54 0.00 0.00 175.26 175.84 1uxl s SER 25 N -0.91 6.52 0.00 -1.70 1.04 -1.26 -1.32 113.70 116.06 1uxl s SER 25 Ca 0.07 2.89 0.00 0.00 0.48 0.00 0.00 55.95 59.40 1uxl s SER 25 Cb -0.08 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1uxl s SER 25 CO 0.01 -0.75 0.00 0.59 0.98 0.00 0.00 173.24 174.07 1uxl n ASN 26 N 0.84 -1.66 -2.93 7.02 4.13 -1.26 -4.99 115.26 116.41 1uxl n ASN 26 Ca 0.02 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.19 1uxl n ASN 26 Cb 0.40 -1.80 0.05 0.00 -1.54 0.00 0.00 39.78 36.89 1uxl n ASN 26 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1uxl n GLY 27 N -1.50 0.57 3.76 7.41 0.00 -0.44 -5.06 105.19 109.93 1uxl n GLY 27 Ca 0.00 -1.96 -0.35 0.00 0.00 0.00 0.00 46.02 43.71 1uxl n GLY 27 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1uxl s PRO 28 N -3.45 3.04 -0.11 1.61 0.02 -1.26 -4.84 135.00 130.01 1uxl s PRO 28 Ca 0.25 1.65 0.02 0.00 0.02 0.00 0.00 61.00 62.94 1uxl s PRO 28 Cb -0.01 -1.96 -0.01 0.00 0.02 0.00 0.00 34.50 32.54 1uxl s PRO 28 CO 0.17 -1.11 -0.17 0.54 -0.33 0.00 0.00 177.00 176.09 1uxl s VAL 29 N -1.83 2.70 0.02 3.83 0.11 0.85 -4.26 120.40 121.82 1uxl s VAL 29 Ca 0.73 -0.80 -0.23 0.00 -2.93 0.00 0.00 61.98 58.75 1uxl s VAL 29 Cb -0.26 -2.09 -0.05 0.00 -1.53 0.00 0.00 36.38 32.45 1uxl s VAL 29 CO 0.33 0.54 0.70 -0.54 -3.33 0.00 0.00 175.10 172.81 1uxl s LYS 30 N 0.20 4.43 -0.16 1.54 1.02 -0.05 -1.08 119.74 125.64 1uxl s LYS 30 Ca -0.10 0.94 0.00 0.00 0.02 0.00 0.00 55.97 56.83 1uxl s LYS 30 Cb -0.16 -3.36 0.03 0.00 -0.52 0.00 0.00 37.83 33.82 1uxl s LYS 30 CO 0.06 0.30 -0.12 0.08 -0.92 0.00 0.00 175.35 174.74 1uxl s VAL 31 N -0.05 1.51 0.03 3.17 1.01 0.79 -1.37 120.40 125.50 1uxl s VAL 31 Ca 0.36 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.50 1uxl s VAL 31 Cb -0.20 -1.47 0.03 0.00 0.00 0.00 0.00 36.38 34.75 1uxl s VAL 31 CO 0.21 0.38 0.38 -1.66 0.00 0.00 0.00 175.10 174.41 1uxl s TRP 32 N 1.50 -0.22 -4.95 5.22 -2.14 -0.45 -0.49 118.94 117.41 1uxl s TRP 32 Ca 0.04 0.19 0.00 0.00 2.66 0.00 0.00 56.10 58.99 1uxl s TRP 32 Cb -0.14 0.18 0.00 0.00 -3.10 0.00 0.00 33.47 30.41 1uxl s TRP 32 CO -0.10 -0.53 0.00 0.41 -2.66 0.00 0.00 176.95 174.07 1uxl n GLY 33 N 0.64 -0.49 3.05 3.67 0.00 -0.63 0.15 105.19 111.57 1uxl n GLY 33 Ca -0.19 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.14 -0.04 1.61 0.15 -0.81 -0.53 113.70 109.94 1uxl s SER 34 Ca 0.00 0.26 0.02 0.00 0.70 0.00 0.00 55.95 56.93 1uxl s SER 34 Cb 0.00 0.32 0.01 0.00 -1.71 0.00 0.00 66.02 64.64 1uxl s SER 34 CO 0.00 -0.10 -0.10 -0.63 1.20 0.00 0.00 173.24 173.61 1uxl s ILE 35 N -0.12 0.88 0.40 6.45 1.01 -0.19 -1.47 121.20 128.17 1uxl s ILE 35 Ca -0.02 -0.37 0.07 0.00 0.00 0.00 0.00 60.65 60.34 1uxl s ILE 35 Cb -0.02 -0.81 -0.08 0.00 0.01 0.00 0.00 42.46 41.56 1uxl s ILE 35 CO 0.00 0.29 0.01 -1.59 0.00 0.00 0.00 174.94 173.65 1uxl s LYS 36 N 0.51 1.96 0.00 2.79 -2.85 0.33 0.01 119.74 122.49 1uxl s LYS 36 Ca -0.09 -2.07 0.00 0.00 -1.00 0.00 0.00 55.97 52.80 1uxl s LYS 36 Cb -0.13 -1.67 0.00 0.00 -2.06 0.00 0.00 37.83 33.98 1uxl s LYS 36 CO 0.02 -0.03 0.00 0.41 0.10 0.00 0.00 175.35 175.85 1uxl n GLY 37 N -0.96 0.55 3.94 0.59 0.00 -0.92 -1.91 105.19 106.48 1uxl n GLY 37 Ca -0.05 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 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 4.12 0.38 0.99 1.43 -0.76 -4.23 118.68 120.62 1uxl s LEU 38 Ca 0.00 0.37 -0.25 0.00 -1.03 0.00 0.00 54.13 53.22 1uxl s LEU 38 Cb 0.00 -3.20 -0.09 0.00 0.03 0.00 0.00 46.19 42.94 1uxl s LEU 38 CO 0.00 -0.19 1.08 0.42 0.23 0.00 0.00 176.35 177.88 1uxl s THR 39 N -2.15 3.58 0.31 5.49 -4.23 -1.26 -4.17 115.64 113.23 1uxl s THR 39 Ca 0.39 1.29 -0.29 0.00 -1.18 0.00 0.00 61.69 61.89 1uxl s THR 39 Cb -0.10 -3.70 -0.12 0.00 1.34 0.00 0.00 72.50 69.92 1uxl s THR 39 CO 0.33 0.08 1.40 1.21 -0.54 0.00 0.00 174.62 177.09 1uxl n GLU 40 N 0.15 2.28 0.00 3.99 2.13 -1.26 -4.61 120.64 123.31 1uxl n GLU 40 Ca 0.04 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.66 1uxl n GLU 40 Cb 0.48 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.74 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 1.31 0.42 3.79 8.31 0.00 -0.27 -4.92 105.19 113.83 1uxl n GLY 41 Ca 0.07 -2.29 -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 4.56 -0.03 0.99 1.43 -1.26 -0.60 118.68 123.77 1uxl s LEU 42 Ca 0.00 1.56 0.01 0.00 -1.03 0.00 0.00 54.13 54.67 1uxl s LEU 42 Cb 0.00 -3.26 0.02 0.00 0.03 0.00 0.00 46.19 42.99 1uxl s LEU 42 CO 0.00 0.20 -0.02 -1.00 0.23 0.00 0.00 176.35 175.76 1uxl s HIS 43 N -1.18 0.50 0.59 0.29 3.76 0.11 -3.03 115.29 116.33 1uxl s HIS 43 Ca 0.35 -0.09 -0.20 0.00 -0.15 0.00 0.00 55.06 54.97 1uxl s HIS 43 Cb -0.22 -0.51 -0.03 0.00 1.11 0.00 0.00 32.58 32.93 1uxl s HIS 43 CO 0.25 -0.15 1.33 0.20 -0.85 0.00 0.00 174.74 175.52 1uxl s GLY 44 N 0.92 2.87 -0.19 -2.22 0.00 -0.36 -0.72 107.32 107.62 1uxl s GLY 44 Ca -0.11 1.28 -0.04 0.00 0.00 0.00 0.00 44.72 45.86 1uxl s GLY 44 CO -0.01 1.76 0.23 -0.12 0.00 0.00 0.00 173.10 174.96 1uxl s PHE 45 N -1.35 -0.31 0.06 1.90 5.36 -0.04 -0.44 117.98 123.17 1uxl s PHE 45 Ca 0.77 0.34 -0.07 0.00 -0.96 0.00 0.00 56.93 57.01 1uxl s PHE 45 Cb -0.39 -0.31 -0.01 0.00 -0.34 0.00 0.00 43.02 41.97 1uxl s PHE 45 CO 0.44 -0.56 0.13 -1.01 -1.46 0.00 0.00 175.22 172.75 1uxl s HIS 46 N 2.34 0.22 -0.23 10.12 3.76 -0.76 -2.42 115.29 128.32 1uxl s HIS 46 Ca 0.06 -0.60 -0.17 0.00 -0.15 0.00 0.00 55.06 54.20 1uxl s HIS 46 Cb -0.15 -0.14 -0.03 0.00 1.11 0.00 0.00 32.58 33.37 1uxl s HIS 46 CO -0.11 -0.45 0.46 0.08 -0.85 0.00 0.00 174.74 173.86 1uxl s VAL 47 N -3.33 5.13 0.33 -0.90 1.01 0.01 -1.06 120.40 121.59 1uxl s VAL 47 Ca 0.01 0.79 0.02 0.00 0.00 0.00 0.00 61.98 62.80 1uxl s VAL 47 Cb 0.03 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1uxl s VAL 47 CO -0.08 0.16 0.51 -1.00 0.00 0.00 0.00 175.10 174.69 1uxl s HIS 48 N 1.84 3.44 0.14 5.22 3.76 0.16 -0.88 115.29 128.97 1uxl s HIS 48 Ca 0.20 0.22 -0.16 0.00 -0.15 0.00 0.00 55.06 55.17 1uxl s HIS 48 Cb -0.15 -1.85 -0.00 0.00 1.11 0.00 0.00 32.58 31.68 1uxl s HIS 48 CO 0.09 0.15 1.71 1.49 -0.85 0.00 0.00 174.74 177.33 1uxl h GLU 49 N 0.83 0.58 -5.76 1.40 4.81 -0.89 -2.78 114.58 112.77 1uxl h GLU 49 Ca -0.50 -0.09 -0.66 0.00 -0.13 0.00 0.00 59.36 57.98 1uxl h GLU 49 Cb 1.23 -0.10 -0.17 0.00 0.63 0.00 0.00 28.75 30.33 1uxl h GLU 49 CO 0.60 0.51 -0.63 -0.06 -0.73 0.00 0.00 179.01 178.71 1uxl s PHE 50 N -5.68 3.12 -0.19 0.92 0.08 -0.08 -4.65 117.98 111.50 1uxl s PHE 50 Ca -0.13 0.05 -0.05 0.00 0.12 0.00 0.00 56.93 56.92 1uxl s PHE 50 Cb 0.10 -1.85 -0.15 0.00 -0.57 0.00 0.00 43.02 40.55 1uxl s PHE 50 CO 0.74 0.31 3.32 0.41 -0.10 0.00 0.00 175.22 179.91 1uxl n GLY 51 N 2.61 3.49 3.15 4.36 0.00 -1.09 -3.67 105.19 114.04 1uxl n GLY 51 Ca -0.18 -1.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 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 1.44 4.73 -0.17 1.61 -1.08 -1.26 -4.96 116.67 116.98 1uxl s ASP 52 Ca 0.64 -1.27 0.16 0.00 -0.52 0.00 0.00 52.55 51.56 1uxl s ASP 52 Cb 0.34 -1.67 0.55 0.00 -1.46 0.00 0.00 42.92 40.68 1uxl s ASP 52 CO -0.08 -0.23 1.45 -3.20 0.52 0.00 0.00 175.17 173.63 1uxl n ASN 53 N 4.58 4.03 0.07 -0.34 5.15 -1.26 -2.79 115.26 124.70 1uxl n ASN 53 Ca -0.14 -2.92 0.04 0.00 -0.60 0.00 0.00 54.58 50.97 1uxl n ASN 53 Cb 0.43 -0.54 0.45 0.00 -0.53 0.00 0.00 39.78 39.60 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 2.11 1.10 -0.55 -0.44 1.35 -1.93 -1.63 112.91 112.92 1uxl h THR 54 Ca 0.00 -0.29 -0.36 0.00 -0.55 0.00 0.00 66.41 65.20 1uxl h THR 54 Cb 1.45 0.75 -0.24 0.00 -1.73 0.00 0.00 68.15 68.37 1uxl h THR 54 CO 0.23 0.12 -0.26 0.00 -0.25 0.00 0.00 175.52 175.36 1uxl n ALA 55 N -2.49 4.80 -0.26 6.62 0.00 -1.26 -5.06 120.51 122.85 1uxl n ALA 55 Ca 0.01 -3.45 0.00 0.00 0.00 0.00 0.00 53.44 50.00 1uxl n ALA 55 Cb 0.11 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.95 -0.51 0.30 0.00 0.00 -0.62 -3.62 105.19 99.79 1uxl n GLY 56 Ca 0.40 -1.10 0.18 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.90 -2.33 112.91 111.86 1uxl h THR 58 Ca -0.00 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1uxl h THR 58 Cb 0.31 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1uxl h THR 58 CO 0.00 0.18 0.00 -1.54 0.37 0.00 0.00 175.52 174.53 1uxl n SER 59 N -4.40 0.00 0.00 4.18 3.41 -1.05 -3.32 113.62 112.44 1uxl n SER 59 Ca 0.04 -0.73 0.09 0.00 -0.26 0.00 0.00 58.87 58.01 1uxl n SER 59 Cb 0.11 -0.02 0.42 0.00 -0.26 0.00 0.00 64.21 64.47 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 -1.02 1.91 -0.28 7.33 0.00 -0.88 -4.43 120.51 123.14 1uxl n ALA 60 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.55 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 0.44 -1.34 2.85 0.00 0.00 -1.21 -0.90 105.19 105.03 1uxl n GLY 61 Ca 0.06 -1.25 -0.21 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.30 -0.79 -1.87 1.61 -0.04 -1.26 -4.60 135.00 127.75 1uxl n PRO 62 Ca 0.00 -1.60 -0.39 0.00 -0.04 0.00 0.00 63.50 61.47 1uxl n PRO 62 Cb 0.00 -0.93 0.02 0.00 -0.04 0.00 0.00 33.50 32.55 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 2.50 0.00 0.54 3.76 -1.26 -0.95 115.29 116.89 1uxl s HIS 63 Ca 0.55 1.33 -0.30 0.00 -0.15 0.00 0.00 55.06 56.49 1uxl s HIS 63 Cb -0.02 -3.81 -0.07 0.00 1.11 0.00 0.00 32.58 29.79 1uxl s HIS 63 CO 0.38 -2.69 1.78 0.12 -0.85 0.00 0.00 174.74 173.48 1uxl s PHE 64 N -1.26 1.76 -0.41 1.40 5.36 -0.06 -4.52 117.98 120.25 1uxl s PHE 64 Ca 0.63 -0.06 0.09 0.00 -0.96 0.00 0.00 56.93 56.63 1uxl s PHE 64 Cb -0.41 -4.06 0.32 0.00 -0.34 0.00 0.00 43.02 38.53 1uxl s PHE 64 CO 0.51 -4.57 0.82 -1.71 -1.46 0.00 0.00 175.22 168.81 1uxl n ASN 65 N 7.08 -0.47 0.23 6.13 5.15 -1.26 -1.66 115.26 130.45 1uxl n ASN 65 Ca 0.18 -3.18 0.16 0.00 -0.60 0.00 0.00 54.58 51.14 1uxl n ASN 65 Cb 0.42 0.29 0.68 0.00 -0.53 0.00 0.00 39.78 40.65 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 3.24 0.00 -0.24 1.20 0.13 -1.93 -2.18 132.00 132.22 1uxl h PRO 66 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 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 0.38 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.43 1uxl n LEU 67 N -2.73 2.93 -3.62 1.56 4.77 -1.26 -4.98 117.00 113.66 1uxl n LEU 67 Ca 0.00 -1.18 -0.21 0.00 -0.03 0.00 0.00 56.01 54.60 1uxl n LEU 67 Cb 0.23 -0.15 0.06 0.00 -2.33 0.00 0.00 43.42 41.22 1uxl n LEU 67 CO 0.22 0.59 0.03 -1.20 -1.33 0.00 0.00 177.39 175.70 1uxl n SER 68 N 1.18 -2.15 -4.93 -1.43 7.64 -0.82 -5.00 113.62 108.10 1uxl n SER 68 Ca 0.18 -0.73 -0.21 0.00 1.01 0.00 0.00 58.87 59.12 1uxl n SER 68 Cb 0.54 -4.48 -0.00 0.00 -1.01 0.00 0.00 64.21 59.26 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 -5.85 2.47 0.60 1.43 0.52 -1.26 -5.12 118.95 111.74 1uxl s ARG 69 Ca 0.10 -1.62 -0.08 0.00 -0.52 0.00 0.00 55.73 53.61 1uxl s ARG 69 Cb -0.05 -2.42 -0.01 0.00 0.52 0.00 0.00 34.95 32.99 1uxl s ARG 69 CO 0.78 -0.42 0.95 0.15 0.02 0.00 0.00 175.30 176.77 1uxl s LYS 70 N -4.30 3.24 0.38 3.54 1.02 -1.26 -4.72 119.74 117.65 1uxl s LYS 70 Ca 0.49 0.35 -0.27 0.00 0.02 0.00 0.00 55.97 56.56 1uxl s LYS 70 Cb -0.04 -2.19 -0.09 0.00 -0.52 0.00 0.00 37.83 34.98 1uxl s LYS 70 CO 0.29 -0.61 1.26 -1.58 -0.92 0.00 0.00 175.35 173.78 1uxl s HIS 71 N -3.06 2.97 0.02 3.18 5.65 0.01 -3.10 115.29 120.96 1uxl s HIS 71 Ca 0.53 1.47 -0.00 0.00 0.25 0.00 0.00 55.06 57.31 1uxl s HIS 71 Cb -0.11 -3.58 0.00 0.00 -1.18 0.00 0.00 32.58 27.72 1uxl s HIS 71 CO 0.49 -1.75 0.03 0.41 -0.65 0.00 0.00 174.74 173.27 1uxl n GLY 72 N 0.72 2.59 3.91 1.59 0.00 -1.25 -4.40 105.19 108.35 1uxl n GLY 72 Ca 0.03 -1.23 -0.27 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.10 1.57 0.55 -0.02 0.00 -1.18 -4.67 107.32 102.48 1uxl s GLY 73 Ca 0.01 -0.65 0.28 0.00 0.00 0.00 0.00 44.72 44.36 1uxl s GLY 73 CO 0.01 -0.40 2.17 -0.56 0.00 0.00 0.00 173.10 174.31 1uxl h PRO 74 N -0.04 0.00 0.00 2.90 0.13 -1.87 -1.64 132.00 131.48 1uxl h PRO 74 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1uxl h PRO 74 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1uxl h PRO 74 CO 0.61 0.06 0.00 1.63 -0.23 0.00 0.00 178.00 180.07 1uxl n LYS 75 N -3.81 0.20 -2.82 0.86 5.02 -1.26 -4.87 118.16 111.47 1uxl n LYS 75 Ca -0.02 0.19 -0.35 0.00 -2.02 0.00 0.00 58.31 56.10 1uxl n LYS 75 Cb 0.15 -1.75 -0.07 0.00 -0.02 0.00 0.00 35.03 33.35 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 -4.18 7.16 0.12 4.39 1.01 -0.62 -4.97 116.67 119.57 1uxl s ASP 76 Ca 0.11 1.74 -0.15 0.00 0.71 0.00 0.00 52.55 54.96 1uxl s ASP 76 Cb 0.13 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 1uxl s ASP 76 CO 0.56 -0.18 1.52 -0.08 0.21 0.00 0.00 175.17 177.20 1uxl h GLU 77 N 2.68 0.71 -5.66 8.23 4.22 -1.89 -3.38 114.58 119.49 1uxl h GLU 77 Ca -0.48 -0.28 -0.61 0.00 0.08 0.00 0.00 59.36 58.07 1uxl h GLU 77 Cb 1.19 -0.04 -0.13 0.00 0.50 0.00 0.00 28.75 30.27 1uxl h GLU 77 CO 0.63 0.87 0.60 -2.00 -2.18 0.00 0.00 179.01 176.93 1uxl s GLU 78 N -4.76 3.18 0.21 1.92 2.56 -1.26 -4.95 118.70 115.60 1uxl s GLU 78 Ca -0.13 -0.60 -0.21 0.00 0.00 0.00 0.00 54.97 54.03 1uxl s GLU 78 Cb 0.10 -4.17 0.04 0.00 2.00 0.00 0.00 34.13 32.10 1uxl s GLU 78 CO 0.81 -1.75 0.62 -0.98 -0.56 0.00 0.00 175.26 173.40 1uxl s ARG 79 N 4.19 1.50 0.45 4.30 1.70 -1.19 -3.83 118.95 126.07 1uxl s ARG 79 Ca 0.26 -0.77 -0.20 0.00 -0.47 0.00 0.00 55.73 54.54 1uxl s ARG 79 Cb -0.15 0.58 -0.10 0.00 -0.57 0.00 0.00 34.95 34.71 1uxl s ARG 79 CO 0.13 -0.66 0.97 -1.01 -1.08 0.00 0.00 175.30 173.66 1uxl s HIS 80 N -3.85 3.24 0.28 5.89 3.76 -1.18 -4.66 115.29 118.78 1uxl s HIS 80 Ca 0.07 1.59 -0.00 0.00 -0.15 0.00 0.00 55.06 56.57 1uxl s HIS 80 Cb -0.03 -2.90 0.50 0.00 1.11 0.00 0.00 32.58 31.26 1uxl s HIS 80 CO -0.03 -0.31 1.87 0.28 -0.85 0.00 0.00 174.74 175.70 1uxl h VAL 81 N 1.74 1.01 0.00 -0.90 2.07 -1.83 -1.85 116.25 116.48 1uxl h VAL 81 Ca -0.49 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1uxl h VAL 81 Cb 1.19 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1uxl h VAL 81 CO 0.61 0.20 0.00 0.61 0.02 0.00 0.00 177.57 179.00 1uxl n GLY 82 N -1.36 -0.79 3.54 2.17 0.00 -0.66 -4.36 105.19 103.73 1uxl n GLY 82 Ca 0.17 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.72 6.22 -0.08 1.61 1.01 -0.70 -0.81 116.67 122.20 1uxl s ASP 83 Ca 0.24 -0.66 0.17 0.00 0.71 0.00 0.00 52.55 53.02 1uxl s ASP 83 Cb 0.11 -2.55 0.60 0.00 1.01 0.00 0.00 42.92 42.09 1uxl s ASP 83 CO 0.19 -1.75 1.51 0.18 0.21 0.00 0.00 175.17 175.50 1uxl n LEU 84 N 9.16 4.13 0.00 1.23 4.77 -1.02 -3.75 117.00 131.52 1uxl n LEU 84 Ca 0.07 -2.34 0.00 0.00 -0.03 0.00 0.00 56.01 53.71 1uxl n LEU 84 Cb 0.49 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1uxl n LEU 84 CO 0.70 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 178.17 1uxl n GLY 85 N 0.88 0.97 3.44 -0.72 0.00 -1.20 -4.81 105.19 103.75 1uxl n GLY 85 Ca 0.22 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 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 3.54 0.23 1.61 0.01 -1.26 -0.86 114.94 114.21 1uxl s ASN 86 Ca 0.00 -0.79 0.09 0.00 -0.71 0.00 0.00 52.86 51.44 1uxl s ASN 86 Cb 0.00 -0.32 -0.04 0.00 0.41 0.00 0.00 41.25 41.30 1uxl s ASN 86 CO 0.00 0.13 0.00 0.68 -1.51 0.00 0.00 177.10 176.41 1uxl s VAL 87 N -1.53 3.58 -0.18 1.60 -7.23 0.10 -4.91 120.40 111.83 1uxl s VAL 87 Ca 0.20 -1.73 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 1uxl s VAL 87 Cb -0.09 -2.87 0.01 0.00 0.56 0.00 0.00 36.38 34.00 1uxl s VAL 87 CO 0.10 -0.28 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.53 1uxl s THR 88 N -2.10 2.22 -0.01 5.32 2.01 -1.26 -0.71 115.64 121.10 1uxl s THR 88 Ca 0.30 -0.89 -0.17 0.00 0.31 0.00 0.00 61.69 61.24 1uxl s THR 88 Cb -0.07 -1.94 -0.06 0.00 0.01 0.00 0.00 72.50 70.45 1uxl s THR 88 CO 0.20 0.53 0.48 0.00 -0.69 0.00 0.00 174.62 175.13 1uxl s ALA 89 N 1.23 3.60 0.98 7.40 0.00 0.23 -4.16 121.76 131.04 1uxl s ALA 89 Ca 0.03 -0.13 -0.10 0.00 0.00 0.00 0.00 51.96 51.76 1uxl s ALA 89 Cb -0.14 -2.54 0.13 0.00 0.00 0.00 0.00 23.12 20.58 1uxl s ALA 89 CO -0.10 0.31 0.80 -0.40 0.00 0.00 0.00 175.76 176.37 1uxl n ASP 90 N 2.35 0.09 0.30 0.00 5.68 0.03 -1.11 116.55 123.89 1uxl n ASP 90 Ca -0.11 -1.31 0.20 0.00 -0.50 0.00 0.00 54.79 53.08 1uxl n ASP 90 Cb 0.52 -0.61 0.98 0.00 -1.14 0.00 0.00 41.12 40.86 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 -0.01 0.11 2.10 -1.97 -0.08 116.57 116.72 1uxl h LYS 91 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1uxl h LYS 91 Cb 0.72 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.05 1uxl h LYS 91 CO 0.19 0.00 -0.14 -0.25 -2.00 0.00 0.00 179.45 177.25 1uxl n ASP 92 N -3.03 1.07 0.00 7.07 8.00 -1.26 -4.87 116.55 123.52 1uxl n ASP 92 Ca -0.01 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.43 1uxl n ASP 92 Cb 0.16 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 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 1.26 0.72 3.52 0.44 0.00 -0.04 -4.74 105.19 106.35 1uxl n GLY 93 Ca 0.15 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 4.43 -0.41 1.61 1.01 -1.26 -1.83 120.40 121.95 1uxl s VAL 94 Ca 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 61.98 61.71 1uxl s VAL 94 Cb 0.00 -3.03 0.04 0.00 0.00 0.00 0.00 36.38 33.39 1uxl s VAL 94 CO 0.00 0.40 0.28 0.00 0.00 0.00 0.00 175.10 175.78 1uxl s ALA 95 N 1.05 3.40 0.09 5.51 0.00 0.10 -0.79 121.76 131.12 1uxl s ALA 95 Ca 0.04 -1.86 -0.30 0.00 0.00 0.00 0.00 51.96 49.83 1uxl s ALA 95 Cb -0.14 -2.79 -0.05 0.00 0.00 0.00 0.00 23.12 20.13 1uxl s ALA 95 CO 0.03 -1.52 0.97 -0.51 0.00 0.00 0.00 175.76 174.73 1uxl s ASP 96 N 1.89 7.46 -0.09 0.00 -0.00 -1.26 -1.03 116.67 123.65 1uxl s ASP 96 Ca 0.03 1.77 0.02 0.00 -0.00 0.00 0.00 52.55 54.37 1uxl s ASP 96 Cb -0.21 -2.58 -0.02 0.00 -0.00 0.00 0.00 42.92 40.11 1uxl s ASP 96 CO 0.07 -0.11 -0.15 -0.69 -0.00 0.00 0.00 175.17 174.29 1uxl s VAL 97 N 0.23 2.95 -0.28 -1.27 1.01 0.31 -4.64 120.40 118.72 1uxl s VAL 97 Ca 0.48 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 1uxl s VAL 97 Cb -0.23 -2.19 0.17 0.00 0.00 0.00 0.00 36.38 34.13 1uxl s VAL 97 CO 0.30 0.56 0.50 -0.55 0.00 0.00 0.00 175.10 175.90 1uxl s SER 98 N -0.11 -0.68 0.03 3.32 0.15 -1.25 -1.61 113.70 113.55 1uxl s SER 98 Ca -0.02 0.52 0.02 0.00 0.70 0.00 0.00 55.95 57.18 1uxl s SER 98 Cb -0.14 1.70 -0.02 0.00 -1.71 0.00 0.00 66.02 65.85 1uxl s SER 98 CO 0.04 -0.28 -0.08 -0.63 1.20 0.00 0.00 173.24 173.48 1uxl s ILE 99 N 2.72 0.58 -0.06 6.45 1.01 0.35 -5.00 121.20 127.25 1uxl s ILE 99 Ca 0.17 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 59.94 1uxl s ILE 99 Cb -0.15 -0.61 -0.00 0.00 0.01 0.00 0.00 42.46 41.71 1uxl s ILE 99 CO -0.20 -0.25 -0.20 -0.70 0.00 0.00 0.00 174.94 173.59 1uxl s GLU 100 N -1.28 2.22 -0.02 2.79 2.12 -1.26 -0.15 118.70 123.12 1uxl s GLU 100 Ca -0.07 -0.72 -0.01 0.00 0.36 0.00 0.00 54.97 54.53 1uxl s GLU 100 Cb -0.08 -1.84 0.01 0.00 0.26 0.00 0.00 34.13 32.47 1uxl s GLU 100 CO 0.00 0.25 0.04 0.34 -0.54 0.00 0.00 175.26 175.35 1uxl s ASP 101 N 0.11 -0.02 0.00 -1.70 2.15 -0.25 -4.96 116.67 112.00 1uxl s ASP 101 Ca -0.08 0.08 0.16 0.00 0.43 0.00 0.00 52.55 53.14 1uxl s ASP 101 Cb -0.14 0.05 0.26 0.00 -0.30 0.00 0.00 42.92 42.79 1uxl s ASP 101 CO 0.04 -0.04 1.16 -1.54 -0.17 0.00 0.00 175.17 174.62 1uxl n SER 102 N 3.30 2.77 -0.12 -0.34 3.41 -1.26 -0.10 113.62 121.28 1uxl n SER 102 Ca -0.15 -1.81 -0.22 0.00 -0.26 0.00 0.00 58.87 56.42 1uxl n SER 102 Cb 0.58 -0.13 -0.12 0.00 -0.26 0.00 0.00 64.21 64.28 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 0.96 1.54 -1.18 -3.33 0.31 -1.26 -4.85 118.33 110.52 1uxl n VAL 103 Ca 0.13 -0.49 -0.32 0.00 -0.01 0.00 0.00 64.34 63.65 1uxl n VAL 103 Cb 0.45 -1.64 0.11 0.00 -0.91 0.00 0.00 33.84 31.85 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 2.87 0.13 2.52 -4.36 -1.26 -4.87 121.20 113.72 1uxl s ILE 104 Ca -0.35 0.31 -0.10 0.00 -0.26 0.00 0.00 60.65 60.26 1uxl s ILE 104 Cb 0.10 -2.68 -0.00 0.00 1.25 0.00 0.00 42.46 41.14 1uxl s ILE 104 CO 0.58 -0.34 0.26 -0.55 0.24 0.00 0.00 174.94 175.13 1uxl s SER 105 N -2.97 0.05 -0.17 4.36 0.15 -1.05 -4.65 113.70 109.42 1uxl s SER 105 Ca 0.65 -0.73 0.16 0.00 0.70 0.00 0.00 55.95 56.72 1uxl s SER 105 Cb -0.20 0.40 0.64 0.00 -1.71 0.00 0.00 66.02 65.15 1uxl s SER 105 CO 0.54 -0.83 1.55 0.18 1.20 0.00 0.00 173.24 175.88 1uxl n LEU 106 N -0.16 4.58 -3.84 3.45 4.77 -1.26 -1.52 117.00 123.02 1uxl n LEU 106 Ca -0.11 -2.80 -0.07 0.00 -0.03 0.00 0.00 56.01 53.00 1uxl n LEU 106 Cb 0.63 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1uxl n LEU 106 CO 0.23 0.69 0.45 -0.94 -1.33 0.00 0.00 177.39 176.49 1uxl s SER 107 N -1.29 -0.27 0.37 -1.43 1.04 -1.26 -4.89 113.70 105.97 1uxl s SER 107 Ca 0.46 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1uxl s SER 107 Cb 0.35 0.71 0.00 0.00 0.10 0.00 0.00 66.02 67.18 1uxl s SER 107 CO 0.15 -1.31 0.00 0.61 0.98 0.00 0.00 173.24 173.67 1uxl n GLY 108 N -0.45 -1.11 0.25 7.32 0.00 -1.26 -3.23 105.19 106.71 1uxl n GLY 108 Ca -0.05 -1.20 0.09 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 0.00 -0.58 1.61 3.32 -2.01 -1.55 116.42 117.21 1uxl h ASP 109 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1uxl h ASP 109 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1uxl h ASP 109 CO 0.00 0.10 0.00 1.41 -1.72 0.00 0.00 179.24 179.03 1uxl n HIS 110 N -4.13 1.53 -1.78 4.55 8.25 -1.26 -4.96 115.22 117.42 1uxl n HIS 110 Ca -0.03 -0.58 -0.42 0.00 -0.26 0.00 0.00 57.72 56.43 1uxl n HIS 110 Cb 0.18 -0.30 -0.03 0.00 1.12 0.00 0.00 29.99 30.97 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 3.75 0.00 -1.99 0.00 -5.35 -0.58 -4.91 119.36 110.28 1uxl n ILE 112 Ca 0.14 -0.21 -0.41 0.00 -0.27 0.00 0.00 62.75 62.00 1uxl n ILE 112 Cb 0.36 1.17 -0.02 0.00 -1.74 0.00 0.00 39.64 39.41 1uxl n ILE 112 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1uxl s THR 113 N -2.45 2.59 0.00 7.28 2.01 -1.26 -1.45 115.64 122.36 1uxl s THR 113 Ca 0.14 0.50 0.00 0.00 0.31 0.00 0.00 61.69 62.64 1uxl s THR 113 Cb 0.16 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.35 1uxl s THR 113 CO 0.60 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 175.22 1uxl n GLY 114 N 2.11 1.23 1.46 4.40 0.00 0.45 -5.00 105.19 109.84 1uxl n GLY 114 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 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 0.89 -4.92 1.61 1.74 -0.53 -2.67 116.66 110.78 1uxl n ARG 115 Ca 0.00 -1.18 -0.33 0.00 -0.77 0.00 0.00 57.85 55.58 1uxl n ARG 115 Cb 0.00 -0.07 -0.15 0.00 -1.02 0.00 0.00 32.46 31.23 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 -0.41 2.82 -0.09 0.55 2.01 -1.05 -0.49 115.64 118.98 1uxl s THR 116 Ca 0.22 -0.77 -0.16 0.00 0.31 0.00 0.00 61.69 61.29 1uxl s THR 116 Cb -0.02 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.31 1uxl s THR 116 CO 0.14 0.55 0.41 -0.22 -0.69 0.00 0.00 174.62 174.81 1uxl s LEU 117 N 0.01 4.33 -0.03 4.42 2.96 -0.31 0.39 118.68 130.46 1uxl s LEU 117 Ca -0.05 0.79 0.04 0.00 -0.22 0.00 0.00 54.13 54.68 1uxl s LEU 117 Cb -0.15 -2.58 -0.00 0.00 0.50 0.00 0.00 46.19 43.96 1uxl s LEU 117 CO 0.04 0.13 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.38 1uxl s VAL 118 N 0.03 1.16 -0.12 1.68 1.01 -0.22 -1.89 120.40 122.04 1uxl s VAL 118 Ca 0.23 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 1uxl s VAL 118 Cb -0.15 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1uxl s VAL 118 CO 0.10 0.34 -0.06 0.54 0.00 0.00 0.00 175.10 176.02 1uxl s VAL 119 N 0.06 3.75 0.36 2.92 0.11 -0.71 -1.83 120.40 125.05 1uxl s VAL 119 Ca -0.02 -0.43 0.07 0.00 -2.93 0.00 0.00 61.98 58.67 1uxl s VAL 119 Cb -0.10 -2.60 -0.01 0.00 -1.53 0.00 0.00 36.38 32.14 1uxl s VAL 119 CO 0.01 0.53 0.44 -1.00 -3.33 0.00 0.00 175.10 171.75 1uxl s HIS 120 N -0.06 2.98 0.14 1.54 3.76 0.41 -1.25 115.29 122.81 1uxl s HIS 120 Ca 0.01 -0.29 -0.15 0.00 -0.15 0.00 0.00 55.06 54.48 1uxl s HIS 120 Cb -0.13 -2.02 0.00 0.00 1.11 0.00 0.00 32.58 31.53 1uxl s HIS 120 CO 0.03 -0.04 1.66 1.49 -0.85 0.00 0.00 174.74 177.02 1uxl h GLU 121 N 0.95 0.66 -5.26 1.40 4.81 -0.80 -3.38 114.58 112.96 1uxl h GLU 121 Ca -0.44 -0.14 -0.65 0.00 -0.13 0.00 0.00 59.36 57.99 1uxl h GLU 121 Cb 1.26 -0.10 -0.13 0.00 0.63 0.00 0.00 28.75 30.41 1uxl h GLU 121 CO 0.53 0.65 -0.53 0.15 -0.73 0.00 0.00 179.01 179.08 1uxl s LYS 122 N -5.40 2.10 0.47 1.92 1.02 -0.18 -4.92 119.74 114.75 1uxl s LYS 122 Ca -0.13 -2.31 -0.23 0.00 0.02 0.00 0.00 55.97 53.32 1uxl s LYS 122 Cb 0.10 -1.42 -0.07 0.00 -0.52 0.00 0.00 37.83 35.93 1uxl s LYS 122 CO 0.77 -0.32 1.19 0.00 -0.92 0.00 0.00 175.35 176.07 1uxl s ALA 123 N -2.90 2.97 -0.14 5.17 0.00 -1.17 -1.22 121.76 124.47 1uxl s ALA 123 Ca 0.14 0.98 -0.24 0.00 0.00 0.00 0.00 51.96 52.84 1uxl s ALA 123 Cb 0.03 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 1uxl s ALA 123 CO 0.07 -0.73 0.76 0.34 0.00 0.00 0.00 175.76 176.20 1uxl s ASP 124 N -1.30 6.93 0.00 0.00 -1.08 -1.26 -3.89 116.67 116.07 1uxl s ASP 124 Ca 0.64 1.13 0.17 0.00 -0.52 0.00 0.00 52.55 53.97 1uxl s ASP 124 Cb -0.30 -2.43 0.94 0.00 -1.46 0.00 0.00 42.92 39.67 1uxl s ASP 124 CO 0.36 -0.29 1.61 -0.90 0.52 0.00 0.00 175.17 176.48 1uxl n ASP 125 N 4.73 0.28 -2.19 -0.34 5.68 0.37 -4.88 116.55 120.20 1uxl n ASP 125 Ca 0.02 -1.53 -0.21 0.00 -0.50 0.00 0.00 54.79 52.57 1uxl n ASP 125 Cb 0.50 -0.02 -0.03 0.00 -1.14 0.00 0.00 41.12 40.43 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 -0.57 -1.85 0.00 -2.12 4.77 -1.26 -1.76 117.00 114.20 1uxl n LEU 126 Ca 0.13 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1uxl n LEU 126 Cb 0.10 -2.92 0.00 0.00 -2.33 0.00 0.00 43.42 38.27 1uxl n LEU 126 CO 0.10 -0.43 0.00 0.61 -1.33 0.00 0.00 177.39 176.34 1uxl n GLY 127 N -0.87 0.53 1.12 -0.72 0.00 -1.25 -3.12 105.19 100.87 1uxl n GLY 127 Ca -0.24 -0.16 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 -2.91 3.32 0.07 1.61 5.02 -0.72 -4.58 118.16 119.97 1uxl n LYS 128 Ca 0.00 -2.68 0.13 0.00 -2.02 0.00 0.00 58.31 53.74 1uxl n LYS 128 Cb 0.00 -1.75 0.37 0.00 -0.02 0.00 0.00 35.03 33.63 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 0.34 -1.58 3.01 0.72 0.00 -1.26 -4.95 105.19 101.46 1uxl n GLY 129 Ca 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 1.35 1.20 3.78 -0.02 0.00 -1.26 -4.98 105.19 105.26 1uxl n GLY 130 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.10 4.56 0.23 1.61 4.22 -1.26 -5.03 114.94 116.17 1uxl s ASN 131 Ca 0.00 -1.04 -0.06 0.00 -2.14 0.00 0.00 52.86 49.62 1uxl s ASN 131 Cb 0.00 -0.41 0.32 0.00 1.28 0.00 0.00 41.25 42.44 1uxl s ASN 131 CO 0.00 -0.61 1.83 -0.33 -2.04 0.00 0.00 177.10 175.95 1uxl h GLU 132 N 1.29 0.82 0.00 3.55 5.08 -2.02 -2.45 114.58 120.86 1uxl h GLU 132 Ca -0.42 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 57.85 1uxl h GLU 132 Cb 1.26 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1uxl h GLU 132 CO 0.67 0.54 -0.17 1.49 -1.00 0.00 0.00 179.01 180.54 1uxl h GLU 133 N 0.85 0.00 -0.90 2.33 4.57 -1.99 -2.83 114.58 116.61 1uxl h GLU 133 Ca 0.36 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.56 1uxl h GLU 133 Cb 0.22 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.76 1uxl h GLU 133 CO -0.19 0.17 0.59 1.03 -1.18 0.00 0.00 179.01 179.43 1uxl h SER 134 N 0.00 1.00 -0.02 1.04 0.87 -1.78 0.43 113.55 115.09 1uxl h SER 134 Ca -0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1uxl h SER 134 Cb 0.30 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1uxl h SER 134 CO 0.02 0.70 0.00 0.35 -0.53 0.00 0.00 176.83 177.37 1uxl n THR 135 N -4.42 0.02 -0.04 2.23 -2.24 -1.07 -2.18 114.28 106.58 1uxl n THR 135 Ca 0.11 -0.06 -0.09 0.00 -2.27 0.00 0.00 64.05 61.74 1uxl n THR 135 Cb 0.07 -0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 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 -0.64 0.22 0.00 -0.78 5.02 -0.46 -0.81 118.16 120.70 1uxl n LYS 136 Ca 0.18 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1uxl n LYS 136 Cb 0.14 -0.87 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 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 -3.57 0.00 -1.08 -0.18 -2.24 0.02 -4.66 114.28 102.56 1uxl n THR 137 Ca -0.17 -0.27 -0.03 0.00 -2.27 0.00 0.00 64.05 61.32 1uxl n THR 137 Cb 0.53 1.30 -0.01 0.00 -2.10 0.00 0.00 70.33 70.05 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 0.19 0.58 2.64 3.38 0.00 -0.93 -3.04 105.19 108.01 1uxl n GLY 138 Ca 0.00 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 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 0.22 -5.64 0.01 1.61 3.02 -1.25 -0.48 115.26 112.75 1uxl n ASN 139 Ca -0.03 -0.09 0.11 0.00 -0.03 0.00 0.00 54.58 54.54 1uxl n ASN 139 Cb 0.18 -4.66 0.46 0.00 -0.61 0.00 0.00 39.78 35.16 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 -2.57 2.00 -0.26 5.41 0.00 -1.17 -4.71 120.51 119.20 1uxl n ALA 140 Ca -0.19 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1uxl n ALA 140 Cb 0.65 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 0.75 -0.51 3.68 0.00 0.00 -1.26 -1.01 105.19 106.83 1uxl n GLY 141 Ca 0.05 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 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 3.09 -0.43 1.61 1.04 -1.26 -4.61 113.70 109.14 1uxl s SER 142 Ca 0.00 1.96 -0.17 0.00 0.48 0.00 0.00 55.95 58.22 1uxl s SER 142 Cb 0.00 -2.49 0.03 0.00 0.10 0.00 0.00 66.02 63.66 1uxl s SER 142 CO 0.00 -2.96 0.44 -0.13 0.98 0.00 0.00 173.24 171.57 1uxl s ARG 143 N -4.71 3.07 0.03 4.02 0.52 -1.26 -0.52 118.95 120.10 1uxl s ARG 143 Ca 0.65 -0.85 -0.08 0.00 -0.52 0.00 0.00 55.73 54.93 1uxl s ARG 143 Cb -0.21 -3.99 -0.31 0.00 0.52 0.00 0.00 34.95 30.96 1uxl s ARG 143 CO 0.58 -0.89 0.98 -0.07 0.02 0.00 0.00 175.30 175.92 1uxl h LEU 144 N 9.04 0.57 -7.25 2.53 3.38 -1.47 -3.47 115.31 118.63 1uxl h LEU 144 Ca -0.27 -0.66 -0.05 0.00 0.09 0.00 0.00 57.88 56.99 1uxl h LEU 144 Cb 1.11 -0.18 -0.14 0.00 0.09 0.00 0.00 40.66 41.53 1uxl h LEU 144 CO 0.81 1.53 0.01 0.00 0.09 0.00 0.00 178.44 180.89 1uxl s ALA 145 N -2.62 -1.20 0.25 1.53 0.00 -1.17 -4.09 121.76 114.46 1uxl s ALA 145 Ca -0.08 0.30 -0.22 0.00 0.00 0.00 0.00 51.96 51.97 1uxl s ALA 145 Cb 0.06 0.59 0.03 0.00 0.00 0.00 0.00 23.12 23.80 1uxl s ALA 145 CO 0.89 -0.60 0.73 0.00 0.00 0.00 0.00 175.76 176.78 1uxl s GLY 147 N -2.89 -0.45 0.04 0.00 0.00 -0.79 -1.29 107.32 101.93 1uxl s GLY 147 Ca 0.10 0.45 -0.23 0.00 0.00 0.00 0.00 44.72 45.04 1uxl s GLY 147 CO 0.04 0.15 0.68 0.14 0.00 0.00 0.00 173.10 174.11 1uxl s VAL 148 N -3.58 4.77 -0.20 1.40 1.01 -1.26 -1.16 120.40 121.39 1uxl s VAL 148 Ca 0.05 1.45 -0.28 0.00 0.00 0.00 0.00 61.98 63.20 1uxl s VAL 148 Cb -0.02 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1uxl s VAL 148 CO -0.07 0.41 0.97 -0.63 0.00 0.00 0.00 175.10 175.78 1uxl s ILE 149 N -0.27 4.75 0.27 2.22 1.01 0.35 -4.54 121.20 125.00 1uxl s ILE 149 Ca 0.35 1.90 0.12 0.00 0.00 0.00 0.00 60.65 63.02 1uxl s ILE 149 Cb -0.20 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 37.97 1uxl s ILE 149 CO 0.21 -0.10 -0.18 -0.83 0.00 0.00 0.00 174.94 174.03 1uxl s GLY 150 N 1.20 1.84 0.17 6.18 0.00 0.57 -0.41 107.32 116.87 1uxl s GLY 150 Ca 0.42 -1.82 -0.31 0.00 0.00 0.00 0.00 44.72 43.01 1uxl s GLY 150 CO 0.09 -1.90 1.47 -0.42 0.00 0.00 0.00 173.10 172.33 1uxl s ILE 151 N -2.39 2.89 0.22 0.90 1.01 -1.26 -0.64 121.20 121.92 1uxl s ILE 151 Ca 0.29 0.66 0.10 0.00 0.00 0.00 0.00 60.65 61.71 1uxl s ILE 151 Cb -0.06 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 1uxl s ILE 151 CO 0.15 0.07 -0.12 0.00 0.00 0.00 0.00 174.94 175.04 1uxl s ALA 152 N 0.81 2.90 -2.00 9.38 0.00 -0.53 -4.80 121.76 127.52 1uxl s ALA 152 Ca 0.65 -1.60 0.22 0.00 0.00 0.00 0.00 51.96 51.24 1uxl s ALA 152 Cb -0.41 -0.61 1.34 0.00 0.00 0.00 0.00 23.12 23.45 1uxl s ALA 152 CO 0.34 0.39 1.72 0.94 0.00 0.00 0.00 175.76 179.14