#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uxf s ASP 2 N 0.00 4.41 0.12 0.00 1.01 -1.26 -1.46 116.67 119.49 2uxf s ASP 2 Ca 0.00 -0.10 0.05 0.00 0.71 0.00 0.00 52.55 53.21 2uxf s ASP 2 Cb 0.00 -1.10 -0.04 0.00 1.01 0.00 0.00 42.92 42.80 2uxf s ASP 2 CO 0.00 0.34 -0.12 -0.36 0.21 0.00 0.00 175.17 175.24 2uxf s PHE 3 N -0.70 1.27 0.01 4.23 0.40 0.29 -4.96 117.98 118.52 2uxf s PHE 3 Ca 0.11 -0.62 0.08 0.00 -0.60 0.00 0.00 56.93 55.90 2uxf s PHE 3 Cb -0.11 -0.67 -0.02 0.00 0.51 0.00 0.00 43.02 42.73 2uxf s PHE 3 CO 0.01 0.09 -0.25 -1.21 0.70 0.00 0.00 175.22 174.57 2uxf s GLU 4 N -2.87 1.84 -0.09 0.44 2.02 -1.26 -0.66 118.70 118.12 2uxf s GLU 4 Ca 0.09 -0.96 0.03 0.00 0.02 0.00 0.00 54.97 54.14 2uxf s GLU 4 Cb -0.03 -1.88 0.01 0.00 0.10 0.00 0.00 34.13 32.32 2uxf s GLU 4 CO 0.02 0.50 -0.18 0.08 0.02 0.00 0.00 175.26 175.70 2uxf s VAL 5 N -0.68 1.64 -0.09 2.63 1.01 -0.13 -4.59 120.40 120.19 2uxf s VAL 5 Ca 0.10 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 2uxf s VAL 5 Cb -0.10 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2uxf s VAL 5 CO 0.00 0.47 0.20 -1.00 0.00 0.00 0.00 175.10 174.77 2uxf s HIS 6 N 0.64 3.62 -0.28 5.22 3.76 -0.10 -0.50 115.29 127.64 2uxf s HIS 6 Ca -0.14 0.63 -0.11 0.00 -0.15 0.00 0.00 55.06 55.29 2uxf s HIS 6 Cb -0.16 -2.03 -0.05 0.00 1.11 0.00 0.00 32.58 31.45 2uxf s HIS 6 CO 0.04 0.70 0.21 -1.64 -0.85 0.00 0.00 174.74 173.20 2uxf s MET 7 N -0.99 3.94 0.04 1.40 -1.94 -0.40 -0.94 119.30 120.42 2uxf s MET 7 Ca 0.17 -0.30 0.04 0.00 -1.71 0.00 0.00 55.69 53.89 2uxf s MET 7 Cb -0.13 -3.67 -0.02 0.00 2.01 0.00 0.00 34.83 33.02 2uxf s MET 7 CO 0.06 -0.20 -0.13 -0.51 -0.01 0.00 0.00 175.02 174.23 2uxf s LEU 8 N 1.78 2.20 0.34 -0.03 1.43 -0.58 -1.55 118.68 122.27 2uxf s LEU 8 Ca 0.08 -0.48 0.12 0.00 -1.03 0.00 0.00 54.13 52.81 2uxf s LEU 8 Cb -0.16 -0.51 0.62 0.00 0.03 0.00 0.00 46.19 46.17 2uxf s LEU 8 CO 0.11 -0.02 1.76 0.78 0.23 0.00 0.00 176.35 179.21 2uxf h ASN 9 N 4.80 0.00 -4.18 2.29 2.35 -1.92 -1.33 115.58 117.59 2uxf h ASN 9 Ca -0.38 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.21 2uxf h ASN 9 Cb 1.19 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 39.31 2uxf h ASN 9 CO 0.43 0.44 -0.45 -0.75 -1.65 0.00 0.00 177.43 175.45 2uxf s LYS 10 N -4.02 0.35 0.05 0.81 2.20 -1.26 0.18 119.74 118.04 2uxf s LYS 10 Ca -0.02 0.10 -0.01 0.00 -0.36 0.00 0.00 55.97 55.68 2uxf s LYS 10 Cb 0.14 0.16 0.01 0.00 -1.51 0.00 0.00 37.83 36.62 2uxf s LYS 10 CO 0.74 -0.06 0.09 0.41 -0.36 0.00 0.00 175.35 176.16 2uxf n GLY 11 N 2.47 2.15 0.26 5.54 0.00 0.18 -4.92 105.19 110.87 2uxf n GLY 11 Ca -0.16 -1.13 0.08 0.00 0.00 0.00 0.00 46.02 44.81 2uxf n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2uxf h LYS 12 N 0.00 0.01 0.00 1.61 6.56 -2.01 0.14 116.57 122.88 2uxf h LYS 12 Ca -0.04 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 2uxf h LYS 12 Cb 0.15 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 2uxf h LYS 12 CO 0.05 0.03 0.00 -3.47 -2.06 0.00 0.00 179.45 174.00 2uxf n ASP 13 N -4.52 0.00 0.00 0.86 -0.08 -1.26 -5.01 116.55 106.54 2uxf n ASP 13 Ca -0.03 -0.35 0.00 0.00 -1.51 0.00 0.00 54.79 52.91 2uxf n ASP 13 Cb 0.11 -0.18 0.00 0.00 2.34 0.00 0.00 41.12 43.39 2uxf n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2uxf n GLY 14 N 0.75 -0.56 3.79 0.27 0.00 0.48 -5.03 105.19 104.88 2uxf n GLY 14 Ca 0.15 -2.03 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 2uxf n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uxf s ALA 15 N -2.00 3.13 -0.32 4.61 0.00 -1.26 -0.65 121.76 125.28 2uxf s ALA 15 Ca 0.00 0.55 -0.09 0.00 0.00 0.00 0.00 51.96 52.42 2uxf s ALA 15 Cb 0.00 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.93 2uxf s ALA 15 CO 0.00 0.04 0.41 -1.33 0.00 0.00 0.00 175.76 174.88 2uxf n MET 16 N 0.09 -1.49 -4.15 0.00 2.81 0.13 -4.86 117.12 109.65 2uxf n MET 16 Ca 0.04 1.52 -0.16 0.00 -1.81 0.00 0.00 57.70 57.29 2uxf n MET 16 Cb 0.51 -4.29 -0.12 0.00 -0.71 0.00 0.00 33.22 28.61 2uxf n MET 16 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2uxf s VAL 17 N -2.20 0.80 0.06 2.03 -7.23 -0.50 -3.98 120.40 109.37 2uxf s VAL 17 Ca 0.14 -1.07 -0.23 0.00 -1.81 0.00 0.00 61.98 59.01 2uxf s VAL 17 Cb -0.04 -0.80 -0.06 0.00 0.56 0.00 0.00 36.38 36.04 2uxf s VAL 17 CO 0.51 -0.23 0.68 -0.36 -0.31 0.00 0.00 175.10 175.39 2uxf s PHE 18 N -1.17 3.76 -0.12 2.82 0.08 -1.26 -1.52 117.98 120.58 2uxf s PHE 18 Ca -0.05 1.38 -0.02 0.00 0.12 0.00 0.00 56.93 58.37 2uxf s PHE 18 Cb -0.09 -2.69 0.04 0.00 -0.57 0.00 0.00 43.02 39.71 2uxf s PHE 18 CO 0.01 0.39 0.01 -1.21 -0.10 0.00 0.00 175.22 174.33 2uxf s GLU 19 N -0.47 0.64 0.63 0.44 2.02 -0.11 -2.44 118.70 119.42 2uxf s GLU 19 Ca 0.34 -0.09 -0.14 0.00 0.02 0.00 0.00 54.97 55.10 2uxf s GLU 19 Cb -0.20 -1.41 -0.02 0.00 0.10 0.00 0.00 34.13 32.60 2uxf s GLU 19 CO 0.21 -0.43 1.05 -1.25 0.02 0.00 0.00 175.26 174.87 2uxf s PRO 20 N 1.93 3.21 0.00 0.39 0.04 -1.26 -0.93 135.00 138.38 2uxf s PRO 20 Ca 0.03 1.08 0.26 0.00 0.04 0.00 0.00 61.00 62.40 2uxf s PRO 20 Cb -0.14 -2.02 0.66 0.00 0.04 0.00 0.00 34.50 33.04 2uxf s PRO 20 CO -0.06 -0.89 1.51 0.00 0.04 0.00 0.00 177.00 177.60 2uxf n ALA 21 N -2.46 3.22 -3.10 8.56 0.00 -1.02 -4.82 120.51 120.89 2uxf n ALA 21 Ca 0.08 -0.40 -0.17 0.00 0.00 0.00 0.00 53.44 52.95 2uxf n ALA 21 Cb 0.53 -1.11 -0.15 0.00 0.00 0.00 0.00 19.45 18.72 2uxf n ALA 21 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2uxf s SER 22 N -2.61 0.61 -0.08 0.00 1.04 -1.26 -0.28 113.70 111.11 2uxf s SER 22 Ca 0.21 -0.08 -0.03 0.00 0.48 0.00 0.00 55.95 56.52 2uxf s SER 22 Cb 0.19 -0.16 0.04 0.00 0.10 0.00 0.00 66.02 66.19 2uxf s SER 22 CO 0.57 0.01 0.17 -0.22 0.98 0.00 0.00 173.24 174.75 2uxf s LEU 23 N 0.28 0.35 -0.27 2.42 2.96 -0.67 -4.99 118.68 118.76 2uxf s LEU 23 Ca -0.03 0.37 -0.11 0.00 -0.22 0.00 0.00 54.13 54.14 2uxf s LEU 23 Cb -0.06 0.42 -0.05 0.00 0.50 0.00 0.00 46.19 47.00 2uxf s LEU 23 CO -0.00 -0.19 0.17 -0.75 -1.32 0.00 0.00 176.35 174.26 2uxf s LYS 24 N 1.62 3.95 0.30 1.98 2.20 -1.26 -0.38 119.74 128.15 2uxf s LYS 24 Ca -0.05 -0.32 0.05 0.00 -0.36 0.00 0.00 55.97 55.30 2uxf s LYS 24 Cb -0.12 -3.60 -0.06 0.00 -1.51 0.00 0.00 37.83 32.54 2uxf s LYS 24 CO -0.06 -0.12 -0.01 0.14 -0.36 0.00 0.00 175.35 174.94 2uxf s VAL 25 N 1.57 1.45 0.20 4.02 -7.23 0.13 -4.96 120.40 115.59 2uxf s VAL 25 Ca 0.07 -2.07 -0.06 0.00 -1.81 0.00 0.00 61.98 58.11 2uxf s VAL 25 Cb -0.15 -2.58 -0.06 0.00 0.56 0.00 0.00 36.38 34.14 2uxf s VAL 25 CO 0.09 -0.19 0.47 0.00 -0.31 0.00 0.00 175.10 175.16 2uxf s ALA 26 N -3.13 3.68 0.30 1.32 0.00 -1.26 -2.21 121.76 120.45 2uxf s ALA 26 Ca 0.32 -0.46 -0.29 0.00 0.00 0.00 0.00 51.96 51.53 2uxf s ALA 26 Cb 0.06 -2.27 -0.13 0.00 0.00 0.00 0.00 23.12 20.78 2uxf s ALA 26 CO 0.13 0.53 1.32 -2.30 0.00 0.00 0.00 175.76 175.44 2uxf n PRO 27 N -0.21 2.05 -0.04 0.00 -0.02 -1.26 -0.91 135.00 134.61 2uxf n PRO 27 Ca -0.01 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2uxf n PRO 27 Cb 0.52 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2uxf n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2uxf n GLY 28 N 1.36 1.12 3.76 -1.23 0.00 0.23 -4.95 105.19 105.49 2uxf n GLY 28 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2uxf n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2uxf s ASP 29 N -2.80 4.08 0.14 1.61 1.01 -0.09 -4.69 116.67 115.93 2uxf s ASP 29 Ca 0.00 1.48 0.07 0.00 0.71 0.00 0.00 52.55 54.81 2uxf s ASP 29 Cb 0.00 -2.19 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 2uxf s ASP 29 CO 0.00 -2.25 -0.16 0.42 0.21 0.00 0.00 175.17 173.39 2uxf s THR 30 N -3.01 1.55 -0.07 -1.27 -4.23 -0.54 -1.05 115.64 107.02 2uxf s THR 30 Ca 0.62 -1.82 0.01 0.00 -1.18 0.00 0.00 61.69 59.32 2uxf s THR 30 Cb -0.16 -1.68 0.02 0.00 1.34 0.00 0.00 72.50 72.02 2uxf s THR 30 CO 0.56 -0.38 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.51 2uxf s VAL 31 N -2.12 0.76 -0.20 2.29 1.01 -0.58 -0.55 120.40 121.02 2uxf s VAL 31 Ca 0.12 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 2uxf s VAL 31 Cb -0.05 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 2uxf s VAL 31 CO 0.05 0.29 0.03 -0.89 0.00 0.00 0.00 175.10 174.58 2uxf s THR 32 N 1.17 4.36 -0.23 3.92 2.01 0.17 -1.09 115.64 125.95 2uxf s THR 32 Ca -0.06 -0.18 -0.18 0.00 0.31 0.00 0.00 61.69 61.58 2uxf s THR 32 Cb -0.14 -2.97 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 2uxf s THR 32 CO -0.01 0.43 0.52 -0.36 -0.69 0.00 0.00 174.62 174.50 2uxf s PHE 33 N 0.77 3.31 -0.19 4.92 0.08 0.83 -0.95 117.98 126.75 2uxf s PHE 33 Ca 0.02 0.70 0.01 0.00 0.12 0.00 0.00 56.93 57.77 2uxf s PHE 33 Cb -0.14 -2.70 0.04 0.00 -0.57 0.00 0.00 43.02 39.66 2uxf s PHE 33 CO 0.02 -0.20 -0.09 0.42 -0.10 0.00 0.00 175.22 175.27 2uxf s ILE 34 N 2.01 1.55 -0.34 0.64 1.01 0.34 -0.94 121.20 125.46 2uxf s ILE 34 Ca 0.22 -0.94 -0.29 0.00 0.00 0.00 0.00 60.65 59.65 2uxf s ILE 34 Cb -0.15 -1.64 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 2uxf s ILE 34 CO 0.09 0.16 1.57 -2.84 0.00 0.00 0.00 174.94 173.92 2uxf s PRO 35 N 1.44 3.57 0.09 2.79 0.02 -1.26 -1.27 135.00 140.37 2uxf s PRO 35 Ca -0.01 1.26 -0.04 0.00 0.02 0.00 0.00 61.00 62.23 2uxf s PRO 35 Cb -0.16 -4.07 -0.24 0.00 0.02 0.00 0.00 34.50 30.05 2uxf s PRO 35 CO -0.08 -1.57 1.18 1.15 -0.33 0.00 0.00 177.00 177.34 2uxf h THR 36 N 6.48 1.48 -3.18 0.99 2.02 -1.64 -3.46 112.91 115.60 2uxf h THR 36 Ca -0.31 -2.92 -0.64 0.00 0.77 0.00 0.00 66.41 63.31 2uxf h THR 36 Cb 1.13 2.83 -0.16 0.00 -1.74 0.00 0.00 68.15 70.22 2uxf h THR 36 CO 1.05 0.86 -0.75 -1.81 0.37 0.00 0.00 175.52 175.23 2uxf s ASP 37 N -7.14 4.07 0.56 4.18 1.01 -0.99 -5.04 116.67 113.32 2uxf s ASP 37 Ca -0.04 -0.61 -0.17 0.00 0.71 0.00 0.00 52.55 52.43 2uxf s ASP 37 Cb 0.07 -0.62 -0.05 0.00 1.01 0.00 0.00 42.92 43.33 2uxf s ASP 37 CO 0.88 0.12 1.07 -0.54 0.21 0.00 0.00 175.17 176.91 2uxf s LYS 38 N -2.65 3.40 0.00 8.23 1.02 -1.26 -4.35 119.74 124.12 2uxf s LYS 38 Ca 0.23 1.33 0.00 0.00 0.02 0.00 0.00 55.97 57.55 2uxf s LYS 38 Cb -0.09 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 2uxf s LYS 38 CO 0.13 -0.76 0.00 0.41 -0.92 0.00 0.00 175.35 174.21 2uxf n GLY 39 N -0.56 1.06 3.58 -3.33 0.00 -1.26 -4.99 105.19 99.70 2uxf n GLY 39 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 2uxf n GLY 39 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2uxf s HIS 40 N -2.00 2.57 0.03 1.61 3.76 -1.26 -4.83 115.29 115.17 2uxf s HIS 40 Ca 0.00 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 54.66 2uxf s HIS 40 Cb 0.00 -1.15 -0.00 0.00 1.11 0.00 0.00 32.58 32.54 2uxf s HIS 40 CO 0.00 0.63 0.04 0.27 -0.85 0.00 0.00 174.74 174.83 2uxf n ASN 41 N -0.65 -0.11 -3.98 1.40 6.94 -1.26 -0.74 115.26 116.85 2uxf n ASN 41 Ca -0.07 -1.20 -0.16 0.00 -0.02 0.00 0.00 54.58 53.14 2uxf n ASN 41 Cb 0.59 0.22 -0.14 0.00 -2.36 0.00 0.00 39.78 38.09 2uxf n ASN 41 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2uxf s VAL 42 N -2.34 0.46 0.10 3.53 0.11 -1.26 -4.20 120.40 116.80 2uxf s VAL 42 Ca 0.03 -0.40 -0.14 0.00 -2.93 0.00 0.00 61.98 58.55 2uxf s VAL 42 Cb 0.00 -0.42 0.02 0.00 -1.53 0.00 0.00 36.38 34.45 2uxf s VAL 42 CO 0.02 0.03 0.33 -1.83 -3.33 0.00 0.00 175.10 170.32 2uxf s GLU 43 N -0.41 0.96 0.52 1.54 -1.05 0.17 -0.13 118.70 120.30 2uxf s GLU 43 Ca -0.00 -0.73 -0.18 0.00 -0.15 0.00 0.00 54.97 53.91 2uxf s GLU 43 Cb -0.04 0.41 -0.07 0.00 -0.44 0.00 0.00 34.13 34.00 2uxf s GLU 43 CO -0.00 -0.35 1.03 0.95 0.95 0.00 0.00 175.26 177.84 2uxf s THR 44 N -3.56 3.95 -0.01 1.83 -4.23 -0.65 -0.46 115.64 112.51 2uxf s THR 44 Ca 0.02 1.08 -0.24 0.00 -1.18 0.00 0.00 61.69 61.37 2uxf s THR 44 Cb 0.02 -3.48 -0.05 0.00 1.34 0.00 0.00 72.50 70.34 2uxf s THR 44 CO -0.10 -0.40 0.72 -0.63 -0.54 0.00 0.00 174.62 173.67 2uxf s ILE 45 N -2.24 4.90 0.08 2.99 1.01 -0.05 -4.77 121.20 123.12 2uxf s ILE 45 Ca 0.64 1.50 -0.37 0.00 0.00 0.00 0.00 60.65 62.43 2uxf s ILE 45 Cb -0.15 -4.06 -0.17 0.00 0.01 0.00 0.00 42.46 38.09 2uxf s ILE 45 CO 0.26 0.32 1.22 1.17 0.00 0.00 0.00 174.94 177.92 2uxf n LYS 46 N 3.22 0.85 -0.69 2.79 4.81 -1.26 -1.21 118.16 126.67 2uxf n LYS 46 Ca -0.02 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 2uxf n LYS 46 Cb 0.51 -1.87 0.00 0.00 0.02 0.00 0.00 35.03 33.68 2uxf n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2uxf n GLY 47 N 2.18 1.39 1.07 3.14 0.00 -1.26 -4.89 105.19 106.82 2uxf n GLY 47 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 2uxf n GLY 47 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2uxf n MET 48 N -2.00 1.94 -4.22 1.61 2.81 -0.35 -4.83 117.12 112.08 2uxf n MET 48 Ca 0.00 -3.13 -0.16 0.00 -1.81 0.00 0.00 57.70 52.60 2uxf n MET 48 Cb 0.00 -1.80 -0.11 0.00 -0.71 0.00 0.00 33.22 30.60 2uxf n MET 48 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 2uxf s ILE 49 N -3.19 1.18 0.81 2.02 -4.36 -1.26 -0.71 121.20 115.69 2uxf s ILE 49 Ca 0.44 -1.75 -0.12 0.00 -0.26 0.00 0.00 60.65 58.96 2uxf s ILE 49 Cb 0.39 -1.52 0.08 0.00 1.25 0.00 0.00 42.46 42.66 2uxf s ILE 49 CO 0.01 -0.52 1.16 -2.84 0.24 0.00 0.00 174.94 172.98 2uxf s PRO 50 N -2.89 1.74 0.23 0.37 0.02 -1.25 -4.90 135.00 128.32 2uxf s PRO 50 Ca 0.09 1.55 -0.31 0.00 0.02 0.00 0.00 61.00 62.35 2uxf s PRO 50 Cb -0.03 -1.81 -0.12 0.00 0.02 0.00 0.00 34.50 32.56 2uxf s PRO 50 CO 0.02 -2.09 1.68 -0.51 -0.33 0.00 0.00 177.00 175.76 2uxf s ASP 51 N -2.57 6.38 0.00 2.53 1.11 -1.26 -1.82 116.67 121.05 2uxf s ASP 51 Ca 0.68 2.88 0.00 0.00 0.18 0.00 0.00 52.55 56.30 2uxf s ASP 51 Cb -0.24 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.14 2uxf s ASP 51 CO 0.52 -0.95 0.00 0.61 1.18 0.00 0.00 175.17 176.53 2uxf n GLY 52 N 3.48 3.20 3.90 0.21 0.00 -1.26 -4.78 105.19 109.94 2uxf n GLY 52 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2uxf n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uxf s ALA 53 N -2.80 3.65 -0.02 4.61 0.00 -0.75 -4.78 121.76 121.67 2uxf s ALA 53 Ca 0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 2uxf s ALA 53 Cb 0.00 -2.29 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 2uxf s ALA 53 CO 0.00 0.39 0.11 -1.21 0.00 0.00 0.00 175.76 175.05 2uxf s GLU 54 N -3.22 3.18 0.90 0.00 0.41 -1.26 -4.88 118.70 113.83 2uxf s GLU 54 Ca 0.44 -0.42 -0.11 0.00 -0.41 0.00 0.00 54.97 54.47 2uxf s GLU 54 Cb -0.11 -2.94 0.13 0.00 -1.78 0.00 0.00 34.13 29.43 2uxf s GLU 54 CO 0.27 0.66 1.09 0.00 -0.49 0.00 0.00 175.26 176.80 2uxf s ALA 55 N -1.21 1.51 0.14 5.21 0.00 -1.26 -5.05 121.76 121.11 2uxf s ALA 55 Ca 0.23 0.06 -0.15 0.00 0.00 0.00 0.00 51.96 52.10 2uxf s ALA 55 Cb -0.12 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.79 2uxf s ALA 55 CO 0.14 -2.40 0.39 -0.59 0.00 0.00 0.00 175.76 173.30 2uxf s PHE 56 N -2.86 -0.08 -0.20 0.00 -0.12 -1.26 -5.00 117.98 108.45 2uxf s PHE 56 Ca 0.64 -0.26 -0.11 0.00 -0.05 0.00 0.00 56.93 57.15 2uxf s PHE 56 Cb -0.19 0.22 0.07 0.00 -0.63 0.00 0.00 43.02 42.49 2uxf s PHE 56 CO 0.57 -0.73 0.49 0.21 -0.05 0.00 0.00 175.22 175.71 2uxf s LYS 57 N -3.84 0.47 0.45 1.99 2.20 -1.26 -1.64 119.74 118.10 2uxf s LYS 57 Ca 0.06 0.94 0.05 0.00 -0.36 0.00 0.00 55.97 56.66 2uxf s LYS 57 Cb 0.02 0.06 0.01 0.00 -1.51 0.00 0.00 37.83 36.41 2uxf s LYS 57 CO -0.09 -0.16 0.62 -1.54 -0.36 0.00 0.00 175.35 173.82 2uxf s SER 58 N 1.58 5.61 0.36 1.43 1.04 0.82 -5.00 113.70 119.54 2uxf s SER 58 Ca -0.09 -0.23 -0.07 0.00 0.48 0.00 0.00 55.95 56.03 2uxf s SER 58 Cb -0.08 -0.85 -0.06 0.00 0.10 0.00 0.00 66.02 65.13 2uxf s SER 58 CO -0.15 -0.81 0.68 -0.54 0.98 0.00 0.00 173.24 173.39 2uxf s LYS 59 N -4.45 3.69 0.20 4.02 1.02 -1.26 -4.58 119.74 118.38 2uxf s LYS 59 Ca 0.54 0.24 -0.33 0.00 0.02 0.00 0.00 55.97 56.44 2uxf s LYS 59 Cb -0.10 -2.50 -0.14 0.00 -0.52 0.00 0.00 37.83 34.57 2uxf s LYS 59 CO 0.34 0.06 1.46 -0.89 -0.92 0.00 0.00 175.35 175.40 2uxf n ILE 60 N -1.23 0.53 -0.86 2.17 2.08 -1.26 -1.64 119.36 119.14 2uxf n ILE 60 Ca 0.00 -0.13 0.00 0.00 0.56 0.00 0.00 62.75 63.18 2uxf n ILE 60 Cb 0.54 -1.43 0.00 0.00 -0.75 0.00 0.00 39.64 38.00 2uxf n ILE 60 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2uxf n ASN 61 N 2.64 -0.92 -4.73 4.38 3.02 0.08 -4.96 115.26 114.76 2uxf n ASN 61 Ca 0.14 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.28 2uxf n ASN 61 Cb 0.29 -1.04 -0.05 0.00 -0.61 0.00 0.00 39.78 38.38 2uxf n ASN 61 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2uxf s GLU 62 N -0.43 4.64 -0.10 3.52 2.12 -0.65 -4.78 118.70 123.01 2uxf s GLU 62 Ca 0.00 1.34 -0.30 0.00 0.36 0.00 0.00 54.97 56.38 2uxf s GLU 62 Cb 0.00 -3.38 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 2uxf s GLU 62 CO 0.00 0.22 1.33 -0.80 -0.54 0.00 0.00 175.26 175.48 2uxf s ASN 63 N 0.02 6.91 -0.08 -1.70 0.01 -1.26 -4.56 114.94 114.28 2uxf s ASN 63 Ca 0.45 1.88 -0.01 0.00 -0.71 0.00 0.00 52.86 54.46 2uxf s ASN 63 Cb -0.22 -2.55 0.03 0.00 0.41 0.00 0.00 41.25 38.92 2uxf s ASN 63 CO 0.28 -0.74 0.00 -0.47 -1.51 0.00 0.00 177.10 174.66 2uxf s TYR 64 N 3.12 0.75 -0.12 2.20 5.04 -0.12 -4.96 117.35 123.26 2uxf s TYR 64 Ca 0.59 -0.26 -0.03 0.00 -2.44 0.00 0.00 57.07 54.93 2uxf s TYR 64 Cb -0.26 -0.85 -0.03 0.00 0.35 0.00 0.00 41.96 41.17 2uxf s TYR 64 CO 0.20 -0.36 -0.00 0.21 -1.34 0.00 0.00 175.55 174.26 2uxf s LYS 65 N 1.95 3.28 -0.02 4.97 2.20 -1.26 -0.12 119.74 130.74 2uxf s LYS 65 Ca 0.05 -0.43 0.04 0.00 -0.36 0.00 0.00 55.97 55.26 2uxf s LYS 65 Cb -0.13 -2.87 -0.01 0.00 -1.51 0.00 0.00 37.83 33.32 2uxf s LYS 65 CO -0.06 0.53 -0.12 0.08 -0.36 0.00 0.00 175.35 175.42 2uxf s VAL 66 N -0.39 0.97 -0.23 4.02 1.01 -0.25 -5.00 120.40 120.52 2uxf s VAL 66 Ca 0.07 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 2uxf s VAL 66 Cb -0.12 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 2uxf s VAL 66 CO 0.02 0.28 0.23 -0.89 0.00 0.00 0.00 175.10 174.74 2uxf s THR 67 N -0.14 5.31 -0.25 3.92 2.01 -1.26 -1.52 115.64 123.71 2uxf s THR 67 Ca 0.02 0.33 -0.08 0.00 0.31 0.00 0.00 61.69 62.28 2uxf s THR 67 Cb -0.06 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 2uxf s THR 67 CO -0.00 0.32 0.08 -0.36 -0.69 0.00 0.00 174.62 173.97 2uxf s PHE 68 N 1.12 3.11 0.00 4.92 0.08 -0.22 -4.95 117.98 122.05 2uxf s PHE 68 Ca 0.11 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 56.85 2uxf s PHE 68 Cb -0.14 -2.24 0.00 0.00 -0.57 0.00 0.00 43.02 40.08 2uxf s PHE 68 CO 0.05 -0.28 0.00 0.25 -0.10 0.00 0.00 175.22 175.14 2uxf n THR 69 N 4.79 0.00 -1.99 0.64 -2.24 -1.26 0.77 114.28 114.99 2uxf n THR 69 Ca -0.16 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 2uxf n THR 69 Cb 0.52 -0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 2uxf n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2uxf s ALA 70 N -1.97 3.73 0.41 6.98 0.00 -1.26 -4.67 121.76 124.98 2uxf s ALA 70 Ca 0.00 1.31 -0.23 0.00 0.00 0.00 0.00 51.96 53.04 2uxf s ALA 70 Cb 0.00 -3.60 -0.09 0.00 0.00 0.00 0.00 23.12 19.43 2uxf s ALA 70 CO 0.00 -0.74 1.05 -1.25 0.00 0.00 0.00 175.76 174.82 2uxf s PRO 71 N 1.05 4.11 0.00 0.00 0.04 -1.26 -4.70 135.00 134.24 2uxf s PRO 71 Ca 0.68 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2uxf s PRO 71 Cb -0.42 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.65 2uxf s PRO 71 CO 0.32 -0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.58 2uxf n GLY 72 N 0.25 0.80 3.86 0.56 0.00 -0.55 -4.74 105.19 105.36 2uxf n GLY 72 Ca 0.06 -2.02 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 2uxf n GLY 72 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2uxf s VAL 73 N -1.42 4.98 -0.24 1.61 -7.23 -1.26 -0.83 120.40 116.01 2uxf s VAL 73 Ca 0.00 -0.63 -0.01 0.00 -1.81 0.00 0.00 61.98 59.53 2uxf s VAL 73 Cb 0.00 -3.45 0.07 0.00 0.56 0.00 0.00 36.38 33.56 2uxf s VAL 73 CO 0.00 0.08 0.01 -0.31 -0.31 0.00 0.00 175.10 174.57 2uxf s TYR 74 N -1.51 1.83 0.02 2.82 1.51 0.80 -3.85 117.35 118.95 2uxf s TYR 74 Ca 0.32 -1.47 -0.30 0.00 -1.01 0.00 0.00 57.07 54.62 2uxf s TYR 74 Cb -0.12 -1.45 -0.04 0.00 -0.11 0.00 0.00 41.96 40.25 2uxf s TYR 74 CO 0.25 -0.74 0.96 0.20 -1.11 0.00 0.00 175.55 175.12 2uxf s GLY 75 N 1.58 2.91 0.20 0.71 0.00 0.12 -1.70 107.32 111.14 2uxf s GLY 75 Ca -0.01 0.52 0.10 0.00 0.00 0.00 0.00 44.72 45.34 2uxf s GLY 75 CO -0.10 1.62 -0.20 -1.34 0.00 0.00 0.00 173.10 173.07 2uxf s VAL 76 N 0.81 2.12 0.14 1.40 -7.23 -0.29 -0.87 120.40 116.47 2uxf s VAL 76 Ca 0.50 -2.06 -0.03 0.00 -1.81 0.00 0.00 61.98 58.58 2uxf s VAL 76 Cb -0.21 -2.04 -0.03 0.00 0.56 0.00 0.00 36.38 34.66 2uxf s VAL 76 CO 0.28 -0.27 0.12 -1.59 -0.31 0.00 0.00 175.10 173.33 2uxf s LYS 77 N -2.92 0.98 -0.15 4.82 -2.85 0.39 -1.12 119.74 118.89 2uxf s LYS 77 Ca 0.20 -1.35 -0.04 0.00 -1.00 0.00 0.00 55.97 53.79 2uxf s LYS 77 Cb -0.06 0.28 -0.03 0.00 -2.06 0.00 0.00 37.83 35.96 2uxf s LYS 77 CO 0.09 -0.30 -0.03 0.00 0.10 0.00 0.00 175.35 175.21 2uxf h THR 79 N 5.08 0.47 0.00 0.00 2.02 -1.90 -3.04 112.91 115.54 2uxf h THR 79 Ca -0.32 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2uxf h THR 79 Cb 1.19 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2uxf h THR 79 CO 0.63 0.00 0.00 1.55 0.37 0.00 0.00 175.52 178.07 2uxf h PRO 80 N -0.55 0.00 -4.52 6.66 0.13 -1.95 -3.42 132.00 128.36 2uxf h PRO 80 Ca -0.01 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.46 2uxf h PRO 80 Cb 0.49 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.22 2uxf h PRO 80 CO -0.04 0.00 -0.71 -1.01 -0.23 0.00 0.00 178.00 176.02 2uxf s HIS 81 N -3.43 3.68 0.26 1.56 3.76 -1.15 -5.01 115.29 114.96 2uxf s HIS 81 Ca 0.03 -3.02 -0.03 0.00 -0.15 0.00 0.00 55.06 51.88 2uxf s HIS 81 Cb 0.09 -2.91 0.37 0.00 1.11 0.00 0.00 32.58 31.25 2uxf s HIS 81 CO 0.44 -0.92 1.89 -1.00 -0.85 0.00 0.00 174.74 174.29 2uxf h PRO 82 N 7.47 1.16 -0.02 8.40 0.13 -1.82 -0.92 132.00 146.40 2uxf h PRO 82 Ca -0.05 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2uxf h PRO 82 Cb 1.00 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2uxf h PRO 82 CO 0.54 0.77 0.00 1.19 -0.23 0.00 0.00 178.00 180.27 2uxf n PHE 83 N -4.49 0.02 -2.88 1.56 3.72 -1.26 -4.72 117.46 109.41 2uxf n PHE 83 Ca 0.15 -0.01 -0.43 0.00 -0.05 0.00 0.00 57.45 57.10 2uxf n PHE 83 Cb 0.15 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.66 2uxf n PHE 83 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 2uxf s MET 84 N -1.98 3.30 0.11 -1.08 1.75 -0.35 -4.67 119.30 116.37 2uxf s MET 84 Ca 0.41 -1.18 -0.00 0.00 -1.25 0.00 0.00 55.69 53.66 2uxf s MET 84 Cb 0.20 -4.51 -0.04 0.00 2.84 0.00 0.00 34.83 33.32 2uxf s MET 84 CO 0.33 -1.81 0.01 0.14 -0.65 0.00 0.00 175.02 173.04 2uxf s VAL 85 N 3.58 0.26 0.33 10.11 -7.23 -1.26 -0.98 120.40 125.21 2uxf s VAL 85 Ca 0.26 -1.89 -0.18 0.00 -1.81 0.00 0.00 61.98 58.36 2uxf s VAL 85 Cb -0.12 -1.85 0.04 0.00 0.56 0.00 0.00 36.38 35.01 2uxf s VAL 85 CO 0.02 -0.67 0.78 -0.83 -0.31 0.00 0.00 175.10 174.09 2uxf s GLY 86 N -3.02 0.17 -0.04 2.32 0.00 -0.27 -4.50 107.32 101.97 2uxf s GLY 86 Ca 0.18 -0.54 -0.01 0.00 0.00 0.00 0.00 44.72 44.34 2uxf s GLY 86 CO -0.02 -0.12 0.03 0.14 0.00 0.00 0.00 173.10 173.13 2uxf s VAL 87 N -2.95 0.06 -0.17 1.40 1.01 0.61 -1.14 120.40 119.22 2uxf s VAL 87 Ca 0.14 0.27 -0.08 0.00 0.00 0.00 0.00 61.98 62.31 2uxf s VAL 87 Cb -0.05 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 2uxf s VAL 87 CO 0.09 0.18 0.10 -0.69 0.00 0.00 0.00 175.10 174.79 2uxf s VAL 88 N 1.79 5.16 -0.12 2.92 1.01 -0.69 -1.68 120.40 128.79 2uxf s VAL 88 Ca 0.01 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.09 2uxf s VAL 88 Cb -0.12 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 2uxf s VAL 88 CO -0.03 0.49 -0.16 -1.58 0.00 0.00 0.00 175.10 173.81 2uxf s GLN 89 N 0.04 3.28 -0.25 2.72 0.74 0.49 -0.14 119.66 126.53 2uxf s GLN 89 Ca 0.08 -0.75 -0.09 0.00 0.05 0.00 0.00 55.36 54.66 2uxf s GLN 89 Cb -0.12 -2.54 -0.04 0.00 1.10 0.00 0.00 33.01 31.42 2uxf s GLN 89 CO -0.00 0.19 0.11 0.08 -0.55 0.00 0.00 175.29 175.12 2uxf s VAL 90 N 0.39 4.75 0.02 1.34 1.01 -0.01 0.20 120.40 128.10 2uxf s VAL 90 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.83 2uxf s VAL 90 Cb -0.16 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 32.99 2uxf s VAL 90 CO 0.06 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.10 2uxf n GLY 91 N 4.70 -1.88 3.95 4.51 0.00 -0.94 -1.48 105.19 114.05 2uxf n GLY 91 Ca -0.15 -1.34 -0.22 0.00 0.00 0.00 0.00 46.02 44.30 2uxf n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2uxf s ASP 92 N -3.87 4.98 -0.79 1.61 1.01 -1.26 -4.75 116.67 113.60 2uxf s ASP 92 Ca 0.00 -0.92 -0.07 0.00 0.71 0.00 0.00 52.55 52.27 2uxf s ASP 92 Cb 0.00 0.05 0.01 0.00 1.01 0.00 0.00 42.92 43.99 2uxf s ASP 92 CO 0.00 -1.05 0.53 0.00 0.21 0.00 0.00 175.17 174.87 2uxf n ALA 93 N -1.88 -2.53 -1.77 5.23 0.00 -1.26 -4.86 120.51 113.44 2uxf n ALA 93 Ca 0.06 -0.31 -0.40 0.00 0.00 0.00 0.00 53.44 52.80 2uxf n ALA 93 Cb 0.62 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 19.10 2uxf n ALA 93 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2uxf s PRO 94 N -5.18 4.17 0.08 0.00 0.04 -1.26 -4.90 135.00 127.95 2uxf s PRO 94 Ca 0.10 2.16 0.24 0.00 0.04 0.00 0.00 61.00 63.54 2uxf s PRO 94 Cb -0.06 -2.90 0.40 0.00 0.04 0.00 0.00 34.50 31.98 2uxf s PRO 94 CO 0.79 -0.32 1.35 0.00 0.04 0.00 0.00 177.00 178.86 2uxf n ALA 95 N 0.46 3.11 -1.30 8.56 0.00 -1.26 -4.04 120.51 126.03 2uxf n ALA 95 Ca 0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.15 2uxf n ALA 95 Cb 0.43 -1.15 0.22 0.00 0.00 0.00 0.00 19.45 18.94 2uxf n ALA 95 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2uxf n ASN 96 N -1.91 3.00 -0.31 0.00 6.94 -1.26 -4.72 115.26 117.00 2uxf n ASN 96 Ca 0.04 -3.54 0.12 0.00 -0.02 0.00 0.00 54.58 51.18 2uxf n ASN 96 Cb 0.41 -0.63 0.30 0.00 -2.36 0.00 0.00 39.78 37.50 2uxf n ASN 96 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 2uxf h LEU 97 N 1.24 0.45 -0.94 -4.53 5.85 -1.95 -1.42 115.31 114.01 2uxf h LEU 97 Ca 0.19 0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.97 2uxf h LEU 97 Cb 1.70 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.80 2uxf h LEU 97 CO 0.40 0.08 -0.34 -0.33 -0.34 0.00 0.00 178.44 177.91 2uxf h GLU 98 N 0.50 0.00 -0.93 1.25 4.39 -1.93 -1.16 114.58 116.69 2uxf h GLU 98 Ca 0.55 0.00 0.14 0.00 0.34 0.00 0.00 59.36 60.38 2uxf h GLU 98 Cb 0.97 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.55 2uxf h GLU 98 CO -0.47 0.34 0.60 0.00 -1.16 0.00 0.00 179.01 178.32 2uxf h ALA 99 N 1.66 1.71 0.02 3.43 0.00 -1.59 0.48 119.26 124.97 2uxf h ALA 99 Ca -0.00 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 2uxf h ALA 99 Cb 0.88 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2uxf h ALA 99 CO 0.04 0.04 -1.06 0.28 0.00 0.00 0.00 179.25 178.56 2uxf h VAL 100 N 0.81 1.10 -0.26 0.00 2.07 -1.51 -3.37 116.25 115.09 2uxf h VAL 100 Ca 0.47 -2.25 -0.08 0.00 0.82 0.00 0.00 66.70 65.66 2uxf h VAL 100 Cb 0.63 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 2uxf h VAL 100 CO -0.23 0.45 -0.19 0.50 0.02 0.00 0.00 177.57 178.12 2uxf h LYS 101 N -0.85 0.46 -0.40 1.57 3.64 -1.15 -2.82 116.57 117.03 2uxf h LYS 101 Ca -0.28 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 2uxf h LYS 101 Cb 1.34 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2uxf h LYS 101 CO -0.12 0.64 0.00 0.41 -2.27 0.00 0.00 179.45 178.11 2uxf n GLY 102 N -0.52 1.33 3.86 5.01 0.00 0.15 -4.96 105.19 110.07 2uxf n GLY 102 Ca -0.00 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 2uxf n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uxf s ALA 103 N -1.48 2.70 -0.61 4.61 0.00 -1.07 -5.00 121.76 120.91 2uxf s ALA 103 Ca 0.37 -0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.04 2uxf s ALA 103 Cb 0.20 -3.04 0.34 0.00 0.00 0.00 0.00 23.12 20.62 2uxf s ALA 103 CO 0.28 -1.34 1.04 1.63 0.00 0.00 0.00 175.76 177.36 2uxf n LYS 104 N -3.15 3.44 -1.92 0.00 4.76 -1.26 -5.03 118.16 114.99 2uxf n LYS 104 Ca 0.07 -4.83 -0.29 0.00 -2.87 0.00 0.00 58.31 50.39 2uxf n LYS 104 Cb 0.57 -2.26 0.12 0.00 -1.84 0.00 0.00 35.03 31.62 2uxf n LYS 104 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2uxf s ASN 105 N -3.29 4.14 0.52 4.39 0.01 -1.26 -4.99 114.94 114.45 2uxf s ASN 105 Ca 0.48 0.62 -0.23 0.00 -0.71 0.00 0.00 52.86 53.03 2uxf s ASN 105 Cb 0.28 -0.99 -0.06 0.00 0.41 0.00 0.00 41.25 40.89 2uxf s ASN 105 CO -0.14 -2.12 1.37 -2.16 -1.51 0.00 0.00 177.10 172.54 2uxf s PRO 106 N -5.65 3.29 0.27 -0.60 0.04 -1.26 -4.58 135.00 126.52 2uxf s PRO 106 Ca 0.65 2.27 -0.08 0.00 0.04 0.00 0.00 61.00 63.88 2uxf s PRO 106 Cb -0.09 -2.36 0.46 0.00 0.04 0.00 0.00 34.50 32.55 2uxf s PRO 106 CO 0.50 -1.08 1.57 0.87 0.04 0.00 0.00 177.00 178.90 2uxf h LYS 107 N 1.69 0.00 -0.27 4.56 1.79 -1.98 0.66 116.57 123.03 2uxf h LYS 107 Ca -0.51 -0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 57.85 2uxf h LYS 107 Cb 1.29 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.93 2uxf h LYS 107 CO 0.58 0.00 -0.31 -0.22 -1.08 0.00 0.00 179.45 178.43 2uxf h LYS 108 N 0.00 0.55 0.19 3.15 1.63 -1.98 0.20 116.57 120.31 2uxf h LYS 108 Ca 0.47 -0.24 -0.01 0.00 -0.85 0.00 0.00 60.65 60.02 2uxf h LYS 108 Cb 0.74 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 2uxf h LYS 108 CO -0.96 0.79 -0.09 0.00 -3.45 0.00 0.00 179.45 175.74 2uxf h ALA 109 N 1.20 -0.26 -0.82 5.00 0.00 -1.23 -2.89 119.26 120.25 2uxf h ALA 109 Ca 0.06 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2uxf h ALA 109 Cb 0.77 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 2uxf h ALA 109 CO 0.06 -0.48 0.53 0.37 0.00 0.00 0.00 179.25 179.73 2uxf h GLN 110 N -0.59 0.99 -0.79 0.00 5.75 -0.72 -1.42 115.11 118.32 2uxf h GLN 110 Ca -0.03 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.38 2uxf h GLN 110 Cb 0.43 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.72 2uxf h GLN 110 CO 0.04 0.66 0.38 1.05 -2.65 0.00 0.00 178.83 178.31 2uxf h GLU 111 N 1.02 1.14 -0.70 1.69 4.11 -0.67 0.19 114.58 121.36 2uxf h GLU 111 Ca 0.33 -0.17 -0.04 0.00 0.07 0.00 0.00 59.36 59.55 2uxf h GLU 111 Cb 0.02 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 2uxf h GLU 111 CO -0.12 0.88 0.27 0.00 0.07 0.00 0.00 179.01 180.11 2uxf h ARG 112 N 1.13 1.05 -0.11 1.06 3.08 -1.21 0.17 114.38 119.54 2uxf h ARG 112 Ca 0.27 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2uxf h ARG 112 Cb 0.12 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2uxf h ARG 112 CO -0.03 0.88 0.05 -0.07 -1.07 0.00 0.00 179.97 179.73 2uxf h LEU 113 N 1.00 0.15 -0.39 3.04 3.38 -0.90 -1.23 115.31 120.37 2uxf h LEU 113 Ca 0.23 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.07 2uxf h LEU 113 Cb 0.23 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2uxf h LEU 113 CO -0.02 0.25 0.24 0.44 0.09 0.00 0.00 178.44 179.45 2uxf h ASP 114 N 0.04 0.40 -0.58 -0.43 3.32 -0.73 -0.63 116.42 117.83 2uxf h ASP 114 Ca 0.04 -0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.15 2uxf h ASP 114 Cb 0.14 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.55 2uxf h ASP 114 CO -0.00 0.29 0.27 0.00 -1.72 0.00 0.00 179.24 178.08 2uxf h ALA 115 N 1.16 0.75 -0.55 3.45 0.00 -0.68 -1.51 119.26 121.88 2uxf h ALA 115 Ca 0.15 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2uxf h ALA 115 Cb -0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2uxf h ALA 115 CO -0.06 -0.10 0.27 0.00 0.00 0.00 0.00 179.25 179.37 2uxf h ALA 116 N 1.34 0.71 -0.68 0.00 0.00 -0.48 -0.32 119.26 119.83 2uxf h ALA 116 Ca 0.27 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 2uxf h ALA 116 Cb 0.23 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2uxf h ALA 116 CO -0.21 -0.08 0.29 -0.07 0.00 0.00 0.00 179.25 179.18 2uxf h LEU 117 N 0.52 0.90 -0.24 0.00 3.38 -0.69 -2.00 115.31 117.18 2uxf h LEU 117 Ca 0.25 -0.12 -0.21 0.00 0.09 0.00 0.00 57.88 57.89 2uxf h LEU 117 Cb 0.17 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.70 2uxf h LEU 117 CO -0.18 0.79 -0.74 0.00 0.09 0.00 0.00 178.44 178.40 2uxf h ALA 118 N 1.35 0.40 0.00 1.53 0.00 -0.95 -2.22 119.26 119.37 2uxf h ALA 118 Ca 0.23 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 2uxf h ALA 118 Cb 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2uxf h ALA 118 CO -0.02 0.70 -0.17 0.00 0.00 0.00 0.00 179.25 179.76 2uxf h ALA 119 N 0.66 1.41 -0.05 0.00 0.00 -0.91 -1.68 119.26 118.70 2uxf h ALA 119 Ca -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2uxf h ALA 119 Cb 1.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2uxf h ALA 119 CO 0.15 0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.89 2uxf n LEU 120 N -3.89 0.28 0.00 0.00 4.77 -0.77 -4.86 117.00 112.53 2uxf n LEU 120 Ca -0.02 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2uxf n LEU 120 Cb 0.26 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2uxf n LEU 120 CO 0.33 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2uxf n GLY 121 N 0.66 0.73 0.08 -0.72 0.00 -0.63 -5.06 105.19 100.24 2uxf n GLY 121 Ca 0.06 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.23 2uxf n GLY 121 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02