#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uul n GLU 5 N 0.00 0.00 -3.31 1.61 4.71 -1.16 -4.34 120.64 118.15 1uul n GLU 5 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.72 1uul n GLU 5 Cb 0.00 -0.68 -0.08 0.00 -1.01 0.00 0.00 31.44 29.66 1uul n GLU 5 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1uul s ALA 6 N 0.00 3.44 0.08 0.62 0.00 -1.13 -4.72 121.76 120.05 1uul s ALA 6 Ca 0.00 -1.60 0.07 0.00 0.00 0.00 0.00 51.96 50.44 1uul s ALA 6 Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 1uul s ALA 6 CO 0.00 -1.64 -0.15 -1.21 0.00 0.00 0.00 175.76 172.76 1uul s GLU 7 N 2.13 2.02 0.39 0.00 2.02 -1.26 -5.02 118.70 118.98 1uul s GLU 7 Ca 0.11 -1.04 -0.26 0.00 0.02 0.00 0.00 54.97 53.80 1uul s GLU 7 Cb -0.18 -2.22 -0.09 0.00 0.10 0.00 0.00 34.13 31.74 1uul s GLU 7 CO 0.13 0.51 1.28 -0.51 0.02 0.00 0.00 175.26 176.69 1uul s ASP 8 N -1.91 6.45 -1.27 -0.19 1.01 -1.26 -2.84 116.67 116.65 1uul s ASP 8 Ca 0.18 2.60 0.00 0.00 0.71 0.00 0.00 52.55 56.04 1uul s ASP 8 Cb -0.11 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.19 1uul s ASP 8 CO 0.10 -0.75 0.00 0.18 0.21 0.00 0.00 175.17 174.91 1uul n LEU 9 N 0.26 -1.00 -4.41 1.23 7.99 0.11 -4.96 117.00 116.22 1uul n LEU 9 Ca 0.03 0.26 -0.23 0.00 -0.01 0.00 0.00 56.01 56.06 1uul n LEU 9 Cb 0.44 -1.91 -0.10 0.00 -0.11 0.00 0.00 43.42 41.73 1uul n LEU 9 CO 0.56 -0.57 -0.48 -1.00 -1.51 0.00 0.00 177.39 174.39 1uul s HIS 10 N -2.48 2.06 0.15 -1.77 3.76 -1.13 -4.90 115.29 110.98 1uul s HIS 10 Ca 0.00 -0.42 -0.34 0.00 -0.15 0.00 0.00 55.06 54.15 1uul s HIS 10 Cb 0.00 -0.95 -0.15 0.00 1.11 0.00 0.00 32.58 32.60 1uul s HIS 10 CO 0.00 0.53 1.48 -2.30 -0.85 0.00 0.00 174.74 173.60 1uul n PRO 11 N -0.28 1.83 -1.88 8.40 -0.02 -1.26 -1.61 135.00 140.17 1uul n PRO 11 Ca -0.08 0.66 -0.37 0.00 -2.02 0.00 0.00 63.50 61.68 1uul n PRO 11 Cb 0.59 -2.37 0.04 0.00 -0.02 0.00 0.00 33.50 31.74 1uul n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uul s ALA 12 N 0.65 2.71 0.17 3.55 0.00 0.19 -4.77 121.76 124.27 1uul s ALA 12 Ca 0.79 1.20 -0.32 0.00 0.00 0.00 0.00 51.96 53.63 1uul s ALA 12 Cb -0.76 -3.52 -0.11 0.00 0.00 0.00 0.00 23.12 18.73 1uul s ALA 12 CO 0.42 -1.28 1.77 -2.14 0.00 0.00 0.00 175.76 174.53 1uul s PRO 13 N -3.04 4.13 0.22 0.00 0.02 -1.26 -4.93 135.00 130.14 1uul s PRO 13 Ca 0.74 2.60 -0.30 0.00 0.02 0.00 0.00 61.00 64.06 1uul s PRO 13 Cb -0.36 -3.30 -0.08 0.00 0.02 0.00 0.00 34.50 30.77 1uul s PRO 13 CO 0.42 -0.79 0.97 0.34 -0.33 0.00 0.00 177.00 177.61 1uul s ASP 14 N 1.85 7.55 0.18 2.53 2.15 -1.26 -5.03 116.67 124.64 1uul s ASP 14 Ca 0.77 1.97 0.04 0.00 0.43 0.00 0.00 52.55 55.77 1uul s ASP 14 Cb -0.48 -2.61 -0.05 0.00 -0.30 0.00 0.00 42.92 39.48 1uul s ASP 14 CO 0.34 0.06 -0.07 0.72 -0.17 0.00 0.00 175.17 176.04 1uul s PHE 15 N -0.91 1.38 -0.44 -5.34 -0.12 -1.26 -5.01 117.98 106.28 1uul s PHE 15 Ca 0.43 -0.80 0.04 0.00 -0.05 0.00 0.00 56.93 56.55 1uul s PHE 15 Cb -0.26 -0.73 0.19 0.00 -0.63 0.00 0.00 43.02 41.58 1uul s PHE 15 CO 0.33 0.06 0.77 1.21 -0.05 0.00 0.00 175.22 177.54 1uul s ASN 16 N -3.22 -1.23 0.23 1.98 2.47 -1.25 -1.60 114.94 112.32 1uul s ASN 16 Ca 0.21 -1.07 0.05 0.00 0.42 0.00 0.00 52.86 52.47 1uul s ASN 16 Cb 0.03 1.59 -0.05 0.00 -1.45 0.00 0.00 41.25 41.38 1uul s ASN 16 CO 0.03 -0.09 -0.06 -1.61 -3.72 0.00 0.00 177.10 171.66 1uul s GLU 17 N 1.35 1.35 0.33 0.43 0.41 -0.97 -4.88 118.70 116.72 1uul s GLU 17 Ca 0.23 -1.65 -0.29 0.00 -0.41 0.00 0.00 54.97 52.84 1uul s GLU 17 Cb 0.00 -0.84 -0.11 0.00 -1.78 0.00 0.00 34.13 31.41 1uul s GLU 17 CO -0.07 0.01 1.42 0.99 -0.49 0.00 0.00 175.26 177.12 1uul s THR 18 N -3.23 2.39 0.08 3.63 2.01 -1.26 -0.83 115.64 118.43 1uul s THR 18 Ca 0.26 0.38 0.01 0.00 0.31 0.00 0.00 61.69 62.65 1uul s THR 18 Cb 0.04 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 1uul s THR 18 CO 0.08 0.08 -0.06 0.00 -0.69 0.00 0.00 174.62 174.03 1uul s ALA 19 N -0.87 0.83 -0.31 7.40 0.00 0.10 -1.28 121.76 127.63 1uul s ALA 19 Ca 0.53 -1.24 -0.17 0.00 0.00 0.00 0.00 51.96 51.09 1uul s ALA 19 Cb -0.43 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1uul s ALA 19 CO 0.55 -0.23 0.46 -1.17 0.00 0.00 0.00 175.76 175.37 1uul s LEU 20 N -2.81 4.22 0.46 0.00 2.96 -0.29 -2.26 118.68 120.97 1uul s LEU 20 Ca 0.08 0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 54.02 1uul s LEU 20 Cb 0.04 -2.52 -0.05 0.00 0.50 0.00 0.00 46.19 44.15 1uul s LEU 20 CO -0.05 -0.35 0.82 -0.04 -1.32 0.00 0.00 176.35 175.41 1uul s MET 21 N 2.24 3.70 0.29 1.98 -1.94 -0.27 -1.40 119.30 123.90 1uul s MET 21 Ca 0.17 0.45 0.05 0.00 -1.71 0.00 0.00 55.69 54.65 1uul s MET 21 Cb -0.16 -2.33 0.75 0.00 2.01 0.00 0.00 34.83 35.11 1uul s MET 21 CO 0.11 -0.17 1.70 -1.35 -0.01 0.00 0.00 175.02 175.30 1uul h PRO 22 N 0.72 0.39 0.00 2.03 0.11 -1.78 0.51 132.00 133.99 1uul h PRO 22 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1uul h PRO 22 Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1uul h PRO 22 CO 0.63 0.26 0.00 0.27 -0.21 0.00 0.00 178.00 178.95 1uul n ASN 23 N -5.04 0.00 0.00 -2.05 6.94 -1.26 -4.62 115.26 109.23 1uul n ASN 23 Ca 0.23 -0.76 0.00 0.00 -0.02 0.00 0.00 54.58 54.03 1uul n ASN 23 Cb 0.67 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.09 1uul n ASN 23 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1uul n GLY 24 N 0.48 0.64 3.97 4.83 0.00 0.17 -5.08 105.19 110.19 1uul n GLY 24 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1uul n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uul s THR 25 N -2.31 2.19 -0.18 2.61 -4.23 -1.26 -4.81 115.64 107.66 1uul s THR 25 Ca 0.00 -0.43 -0.01 0.00 -1.18 0.00 0.00 61.69 60.07 1uul s THR 25 Cb 0.00 -2.77 -0.00 0.00 1.34 0.00 0.00 72.50 71.07 1uul s THR 25 CO 0.00 0.00 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.61 1uul s PHE 26 N -3.26 2.85 0.01 3.99 0.08 -1.26 -1.11 117.98 119.27 1uul s PHE 26 Ca 0.66 -0.99 -0.06 0.00 0.12 0.00 0.00 56.93 56.65 1uul s PHE 26 Cb -0.07 -1.96 -0.00 0.00 -0.57 0.00 0.00 43.02 40.42 1uul s PHE 26 CO 0.45 -0.48 0.11 0.21 -0.10 0.00 0.00 175.22 175.41 1uul s LYS 27 N 1.01 0.45 0.08 0.44 2.20 -0.96 -4.94 119.74 118.02 1uul s LYS 27 Ca -0.01 -0.43 -0.30 0.00 -0.36 0.00 0.00 55.97 54.87 1uul s LYS 27 Cb -0.15 0.18 -0.05 0.00 -1.51 0.00 0.00 37.83 36.30 1uul s LYS 27 CO -0.02 -0.10 1.07 0.15 -0.36 0.00 0.00 175.35 176.09 1uul s LYS 28 N -1.38 4.55 -0.10 4.03 -0.14 -1.26 0.00 119.74 125.45 1uul s LYS 28 Ca -0.15 1.61 0.03 0.00 -1.36 0.00 0.00 55.97 56.10 1uul s LYS 28 Cb -0.08 -3.36 -0.01 0.00 -1.68 0.00 0.00 37.83 32.70 1uul s LYS 28 CO 0.01 -0.03 -0.19 0.08 -0.76 0.00 0.00 175.35 174.46 1uul s VAL 29 N 0.52 2.56 -0.03 3.17 1.01 -0.01 -4.91 120.40 122.71 1uul s VAL 29 Ca 0.52 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.72 1uul s VAL 29 Cb -0.26 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 1uul s VAL 29 CO 0.30 0.55 -0.22 0.00 0.00 0.00 0.00 175.10 175.73 1uul s ALA 30 N 0.18 2.33 0.36 5.51 0.00 -1.26 -2.29 121.76 126.59 1uul s ALA 30 Ca -0.11 -1.07 0.09 0.00 0.00 0.00 0.00 51.96 50.87 1uul s ALA 30 Cb -0.16 -0.69 0.83 0.00 0.00 0.00 0.00 23.12 23.10 1uul s ALA 30 CO 0.06 0.54 1.88 1.25 0.00 0.00 0.00 175.76 179.49 1uul h LEU 31 N 5.44 0.64 -2.02 0.00 5.85 -1.69 0.72 115.31 124.25 1uul h LEU 31 Ca -0.44 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1uul h LEU 31 Cb 1.13 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1uul h LEU 31 CO 0.48 0.33 0.00 0.71 -0.34 0.00 0.00 178.44 179.62 1uul h THR 32 N 0.68 0.00 0.00 1.05 1.35 -1.96 -1.49 112.91 112.54 1uul h THR 32 Ca 0.44 -0.08 -0.00 0.00 -0.55 0.00 0.00 66.41 66.21 1uul h THR 32 Cb 0.70 0.87 -0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1uul h THR 32 CO -0.19 0.00 -0.00 0.28 -0.25 0.00 0.00 175.52 175.35 1uul h SER 33 N 0.00 0.00 -0.30 5.36 0.02 -1.25 -1.83 113.55 115.54 1uul h SER 33 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1uul h SER 33 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1uul h SER 33 CO 0.00 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.47 1uul n TYR 34 N -3.11 0.38 -1.65 3.45 4.02 -0.56 -4.93 117.16 114.76 1uul n TYR 34 Ca -0.01 -0.19 -0.46 0.00 -0.01 0.00 0.00 57.90 57.23 1uul n TYR 34 Cb 0.20 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.48 1uul n TYR 34 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1uul n LYS 35 N 1.27 1.90 0.00 -0.72 4.81 -0.69 -0.62 118.16 124.11 1uul n LYS 35 Ca 0.18 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 1uul n LYS 35 Cb 0.56 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.25 1uul n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1uul n GLY 36 N 2.61 3.19 3.69 3.14 0.00 -0.75 -5.05 105.19 112.02 1uul n GLY 36 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1uul n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uul s LYS 37 N -1.00 2.11 0.25 1.61 -0.14 0.21 -4.79 119.74 117.99 1uul s LYS 37 Ca 0.00 -1.97 -0.13 0.00 -1.36 0.00 0.00 55.97 52.51 1uul s LYS 37 Cb 0.00 -1.83 -0.08 0.00 -1.68 0.00 0.00 37.83 34.24 1uul s LYS 37 CO 0.00 -0.09 0.63 -1.58 -0.76 0.00 0.00 175.35 173.55 1uul s TRP 38 N -2.65 3.46 -0.02 3.18 0.52 -0.17 -2.71 118.94 120.55 1uul s TRP 38 Ca 0.38 1.08 0.02 0.00 0.02 0.00 0.00 56.10 57.60 1uul s TRP 38 Cb 0.07 -2.41 0.00 0.00 -1.15 0.00 0.00 33.47 29.98 1uul s TRP 38 CO 0.20 0.25 -0.08 -1.17 0.02 0.00 0.00 176.95 176.17 1uul s LEU 39 N -2.63 1.82 -0.33 2.99 2.96 -0.04 0.32 118.68 123.78 1uul s LEU 39 Ca 0.47 -0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 54.17 1uul s LEU 39 Cb -0.12 -0.50 0.05 0.00 0.50 0.00 0.00 46.19 46.12 1uul s LEU 39 CO 0.19 0.07 0.08 -0.69 -1.32 0.00 0.00 176.35 174.68 1uul s VAL 40 N 0.13 3.45 -0.22 1.68 1.01 -0.07 -0.64 120.40 125.74 1uul s VAL 40 Ca -0.02 -1.31 -0.10 0.00 0.00 0.00 0.00 61.98 60.55 1uul s VAL 40 Cb -0.07 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 1uul s VAL 40 CO 0.00 -0.20 0.14 -0.22 0.00 0.00 0.00 175.10 174.81 1uul s LEU 41 N 1.32 4.06 -0.01 3.92 2.96 -0.29 -1.33 118.68 129.32 1uul s LEU 41 Ca -0.02 0.12 0.03 0.00 -0.22 0.00 0.00 54.13 54.04 1uul s LEU 41 Cb -0.20 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.41 1uul s LEU 41 CO 0.01 0.10 -0.11 0.72 -1.32 0.00 0.00 176.35 175.75 1uul s PHE 42 N 0.84 0.99 0.05 5.38 -0.71 -0.23 -0.55 117.98 123.75 1uul s PHE 42 Ca 0.07 -0.19 0.02 0.00 -1.04 0.00 0.00 56.93 55.78 1uul s PHE 42 Cb -0.13 -0.63 -0.04 0.00 -1.21 0.00 0.00 43.02 41.01 1uul s PHE 42 CO 0.02 -0.02 0.08 -0.06 -1.34 0.00 0.00 175.22 173.91 1uul s PHE 43 N -0.28 3.23 0.04 3.49 0.40 0.59 -1.42 117.98 124.02 1uul s PHE 43 Ca 0.04 0.13 -0.01 0.00 -0.60 0.00 0.00 56.93 56.49 1uul s PHE 43 Cb -0.04 -1.67 -0.03 0.00 0.51 0.00 0.00 43.02 41.79 1uul s PHE 43 CO -0.00 0.53 -0.03 1.52 0.70 0.00 0.00 175.22 177.94 1uul s TYR 44 N -1.32 0.40 -0.00 0.36 -0.85 -0.71 -3.51 117.35 111.70 1uul s TYR 44 Ca 0.27 -0.81 -0.24 0.00 -0.52 0.00 0.00 57.07 55.77 1uul s TYR 44 Cb -0.12 -0.29 -0.15 0.00 0.38 0.00 0.00 41.96 41.78 1uul s TYR 44 CO 0.19 -0.30 1.08 -1.35 -1.52 0.00 0.00 175.55 173.65 1uul h PRO 45 N 3.83 -0.51 -2.75 -3.49 0.11 -1.80 -3.40 132.00 123.98 1uul h PRO 45 Ca -0.33 0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.69 1uul h PRO 45 Cb 1.17 0.12 -0.26 0.00 0.11 0.00 0.00 31.00 32.14 1uul h PRO 45 CO 0.54 -0.20 -0.30 -1.64 -0.21 0.00 0.00 178.00 176.20 1uul s MET 46 N -4.32 0.40 0.81 1.05 -1.94 -1.26 -4.25 119.30 109.79 1uul s MET 46 Ca -0.13 0.65 -0.13 0.00 -1.71 0.00 0.00 55.69 54.37 1uul s MET 46 Cb 0.02 0.08 0.08 0.00 2.01 0.00 0.00 34.83 37.02 1uul s MET 46 CO 0.47 -0.11 1.20 -0.51 -0.01 0.00 0.00 175.02 176.06 1uul s ASP 47 N 0.85 3.59 -1.59 3.03 1.11 -1.26 -3.23 116.67 119.17 1uul s ASP 47 Ca -0.05 2.36 0.00 0.00 0.18 0.00 0.00 52.55 55.03 1uul s ASP 47 Cb -0.06 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.34 1uul s ASP 47 CO -0.06 -2.67 0.00 0.49 1.18 0.00 0.00 175.17 174.11 1uul n PHE 48 N -3.31 -0.10 -0.15 4.23 3.72 -1.26 -4.99 117.46 115.59 1uul n PHE 48 Ca 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 1uul n PHE 48 Cb 0.51 -2.77 0.00 0.00 -0.94 0.00 0.00 39.48 36.27 1uul n PHE 48 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1uul n THR 49 N -2.76 0.00 0.02 4.37 -2.24 -1.20 -5.13 114.28 107.34 1uul n THR 49 Ca -0.16 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1uul n THR 49 Cb 0.53 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1uul n THR 49 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1uul n PHE 50 N 0.00 0.00 -0.33 4.78 3.72 -1.26 -4.57 117.46 119.80 1uul n PHE 50 Ca 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.36 1uul n PHE 50 Cb 0.00 -0.01 0.08 0.00 -0.94 0.00 0.00 39.48 38.62 1uul n PHE 50 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1uul h VAL 51 N -0.02 1.24 -0.72 -4.37 2.07 -1.95 -3.31 116.25 109.20 1uul h VAL 51 Ca 0.00 -0.54 0.14 0.00 0.82 0.00 0.00 66.70 67.12 1uul h VAL 51 Cb 0.02 0.01 -0.10 0.00 -1.52 0.00 0.00 31.29 29.70 1uul h VAL 51 CO 0.00 0.26 0.24 0.00 0.02 0.00 0.00 177.57 178.09 1uul h PRO 53 N 0.36 0.80 -0.96 0.00 0.13 -1.81 0.40 132.00 130.92 1uul h PRO 53 Ca 0.39 -0.28 0.09 0.00 -0.87 0.00 0.00 66.00 65.34 1uul h PRO 53 Cb 0.61 -0.06 -0.07 0.00 0.13 0.00 0.00 31.00 31.61 1uul h PRO 53 CO -0.43 0.89 0.62 1.79 -0.23 0.00 0.00 178.00 180.64 1uul h THR 54 N 0.64 1.00 0.28 1.56 1.35 -1.59 0.30 112.91 116.45 1uul h THR 54 Ca 0.12 -0.35 -0.01 0.00 -0.55 0.00 0.00 66.41 65.61 1uul h THR 54 Cb 0.55 -0.11 0.00 0.00 -1.73 0.00 0.00 68.15 66.86 1uul h THR 54 CO 0.03 0.19 -0.14 -0.33 -0.25 0.00 0.00 175.52 175.02 1uul h GLU 55 N 1.02 -0.37 -0.30 4.72 5.08 -1.11 -2.37 114.58 121.26 1uul h GLU 55 Ca 0.44 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.89 1uul h GLU 55 Cb 0.35 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 1uul h GLU 55 CO -0.20 -0.03 -0.08 0.82 -1.00 0.00 0.00 179.01 178.52 1uul h ILE 56 N -0.92 0.70 -0.40 3.13 2.04 -0.66 -1.10 117.51 120.29 1uul h ILE 56 Ca -0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1uul h ILE 56 Cb 0.50 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1uul h ILE 56 CO 0.06 0.00 0.17 0.00 0.00 0.00 0.00 178.15 178.39 1uul h GLN 58 N 0.36 -0.23 -0.45 0.00 1.08 -0.93 0.37 115.11 115.30 1uul h GLN 58 Ca 0.18 0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.41 1uul h GLN 58 Cb 0.12 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 1uul h GLN 58 CO -0.15 -0.15 0.30 0.74 -0.95 0.00 0.00 178.83 178.61 1uul h PHE 59 N -0.24 0.52 -0.16 2.96 0.04 -0.69 -1.53 116.94 117.84 1uul h PHE 59 Ca 0.09 0.01 -0.16 0.00 2.80 0.00 0.00 57.97 60.72 1uul h PHE 59 Cb 0.38 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.36 1uul h PHE 59 CO -0.29 0.32 -0.52 1.03 -0.60 0.00 0.00 178.31 178.24 1uul h SER 60 N 0.55 0.74 0.02 2.17 0.87 -0.03 -2.71 113.55 115.16 1uul h SER 60 Ca 0.18 -0.60 -0.07 0.00 -1.23 0.00 0.00 61.79 60.07 1uul h SER 60 Cb 0.03 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 1uul h SER 60 CO -0.04 1.21 -0.18 0.44 -0.53 0.00 0.00 176.83 177.73 1uul h ASP 61 N 0.31 0.30 -0.56 6.23 3.32 0.49 -3.03 116.42 123.48 1uul h ASP 61 Ca -0.02 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1uul h ASP 61 Cb 1.15 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1uul h ASP 61 CO 0.11 0.51 0.00 0.54 -1.72 0.00 0.00 179.24 178.68 1uul n ARG 62 N -4.20 4.39 -0.26 3.56 1.74 -0.65 -4.62 116.66 116.61 1uul n ARG 62 Ca -0.00 -3.05 -0.01 0.00 -0.77 0.00 0.00 57.85 54.01 1uul n ARG 62 Cb 0.33 -2.12 0.06 0.00 -1.02 0.00 0.00 32.46 29.70 1uul n ARG 62 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1uul h VAL 63 N 3.78 0.18 -0.59 1.55 2.07 -1.35 -0.27 116.25 121.63 1uul h VAL 63 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1uul h VAL 63 Cb 1.78 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1uul h VAL 63 CO 0.39 0.00 0.39 0.50 0.02 0.00 0.00 177.57 178.88 1uul h LYS 64 N -0.06 0.37 0.00 1.57 1.63 -1.87 0.42 116.57 118.64 1uul h LYS 64 Ca 0.32 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.08 1uul h LYS 64 Cb 0.56 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.11 1uul h LYS 64 CO -0.78 0.25 -0.07 0.93 -3.45 0.00 0.00 179.45 176.33 1uul h GLU 65 N 0.38 0.00 0.10 1.90 5.08 -1.39 0.23 114.58 120.88 1uul h GLU 65 Ca 0.27 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.39 1uul h GLU 65 Cb 0.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1uul h GLU 65 CO -0.07 0.07 -1.19 0.74 -1.00 0.00 0.00 179.01 177.55 1uul h PHE 66 N 0.00 0.39 -0.37 4.33 0.04 -0.28 -3.38 116.94 117.67 1uul h PHE 66 Ca -0.00 -0.29 -0.07 0.00 2.80 0.00 0.00 57.97 60.41 1uul h PHE 66 Cb 0.12 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 1uul h PHE 66 CO 0.00 1.46 -0.08 0.77 -0.60 0.00 0.00 178.31 179.86 1uul h SER 67 N -0.42 0.60 0.10 2.17 0.02 -0.26 -1.87 113.55 113.89 1uul h SER 67 Ca -0.26 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1uul h SER 67 Cb 1.65 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 64.03 1uul h SER 67 CO 0.05 0.73 -0.02 0.44 -1.14 0.00 0.00 176.83 176.89 1uul h ASP 68 N 0.58 0.00 -0.40 3.07 3.32 -0.73 -2.01 116.42 120.25 1uul h ASP 68 Ca 0.11 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.00 1uul h ASP 68 Cb 0.49 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.95 1uul h ASP 68 CO 0.03 0.02 0.03 2.30 -1.72 0.00 0.00 179.24 179.90 1uul n ILE 69 N -3.61 2.55 -1.98 0.35 -5.35 -0.77 -4.95 119.36 105.60 1uul n ILE 69 Ca -0.03 -2.32 -0.02 0.00 -0.27 0.00 0.00 62.75 60.11 1uul n ILE 69 Cb 0.11 -0.32 -0.00 0.00 -1.74 0.00 0.00 39.64 37.70 1uul n ILE 69 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1uul n GLY 70 N -0.87 0.32 3.02 3.28 0.00 -0.75 -4.94 105.19 105.24 1uul n GLY 70 Ca 0.32 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 1uul n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uul s GLU 72 N 0.73 3.28 0.01 0.00 0.41 0.15 -2.76 118.70 120.52 1uul s GLU 72 Ca -0.13 -0.68 0.04 0.00 -0.41 0.00 0.00 54.97 53.79 1uul s GLU 72 Cb -0.16 -2.75 -0.01 0.00 -1.78 0.00 0.00 34.13 29.43 1uul s GLU 72 CO 0.03 0.12 -0.12 0.14 -0.49 0.00 0.00 175.26 174.94 1uul s VAL 73 N -2.23 0.98 -0.03 2.63 -7.23 -1.26 -0.89 120.40 112.38 1uul s VAL 73 Ca 0.41 -0.69 -0.01 0.00 -1.81 0.00 0.00 61.98 59.88 1uul s VAL 73 Cb -0.09 -0.85 0.03 0.00 0.56 0.00 0.00 36.38 36.02 1uul s VAL 73 CO 0.33 0.15 0.04 -0.22 -0.31 0.00 0.00 175.10 175.10 1uul s LEU 74 N -0.62 0.89 0.31 1.32 2.96 -0.44 -4.48 118.68 118.62 1uul s LEU 74 Ca 0.03 0.07 0.05 0.00 -0.22 0.00 0.00 54.13 54.06 1uul s LEU 74 Cb -0.06 -0.05 -0.02 0.00 0.50 0.00 0.00 46.19 46.56 1uul s LEU 74 CO 0.00 -0.15 0.45 0.00 -1.32 0.00 0.00 176.35 175.33 1uul s ALA 75 N 1.27 4.06 -0.27 5.97 0.00 -0.99 -1.06 121.76 130.73 1uul s ALA 75 Ca -0.07 -1.31 -0.24 0.00 0.00 0.00 0.00 51.96 50.34 1uul s ALA 75 Cb -0.13 -1.75 0.09 0.00 0.00 0.00 0.00 23.12 21.33 1uul s ALA 75 CO -0.03 0.05 0.81 0.00 0.00 0.00 0.00 175.76 176.59 1uul s SER 77 N 0.48 -0.18 0.50 0.00 0.15 -1.16 -1.74 113.70 111.74 1uul s SER 77 Ca -0.00 -0.70 0.24 0.00 0.70 0.00 0.00 55.95 56.19 1uul s SER 77 Cb -0.05 0.61 1.32 0.00 -1.71 0.00 0.00 66.02 66.20 1uul s SER 77 CO -0.03 -1.15 2.04 -0.03 1.20 0.00 0.00 173.24 175.27 1uul h MET 78 N 2.19 0.00 -7.33 5.44 4.05 -1.79 0.47 114.93 117.96 1uul h MET 78 Ca -0.26 0.00 -0.50 0.00 -0.28 0.00 0.00 59.70 58.66 1uul h MET 78 Cb 1.25 0.00 0.13 0.00 -0.80 0.00 0.00 31.60 32.19 1uul h MET 78 CO 0.34 0.14 0.30 -0.51 0.23 0.00 0.00 176.91 177.41 1uul s ASP 79 N -6.37 4.20 0.84 1.39 1.01 -1.26 -4.11 116.67 112.37 1uul s ASP 79 Ca -0.03 1.67 -0.12 0.00 0.71 0.00 0.00 52.55 54.79 1uul s ASP 79 Cb 0.14 -2.38 0.10 0.00 1.01 0.00 0.00 42.92 41.78 1uul s ASP 79 CO 0.61 -2.21 1.13 -0.94 0.21 0.00 0.00 175.17 173.98 1uul s SER 80 N -3.45 4.16 0.20 0.27 1.04 -1.26 -4.20 113.70 110.46 1uul s SER 80 Ca 0.62 1.04 -0.11 0.00 0.48 0.00 0.00 55.95 57.98 1uul s SER 80 Cb -0.17 -1.66 0.23 0.00 0.10 0.00 0.00 66.02 64.52 1uul s SER 80 CO 0.56 -2.15 1.75 -0.33 0.98 0.00 0.00 173.24 174.05 1uul h GLU 81 N -1.22 0.39 -0.61 4.02 5.08 -1.92 -0.93 114.58 119.38 1uul h GLU 81 Ca -0.48 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 57.77 1uul h GLU 81 Cb 1.31 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1uul h GLU 81 CO 0.62 0.26 0.05 1.88 -1.00 0.00 0.00 179.01 180.81 1uul h TYR 82 N 0.40 1.13 -0.34 4.33 -1.99 -1.98 0.10 116.97 118.61 1uul h TYR 82 Ca 0.28 -0.18 0.01 0.00 2.00 0.00 0.00 58.73 60.84 1uul h TYR 82 Cb 0.31 -0.30 -0.02 0.00 2.00 0.00 0.00 36.73 38.72 1uul h TYR 82 CO -0.16 0.98 0.20 1.03 -0.00 0.00 0.00 178.16 180.22 1uul h SER 83 N 0.95 0.33 0.02 3.88 0.87 -1.84 0.29 113.55 118.06 1uul h SER 83 Ca 0.18 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.77 1uul h SER 83 Cb 0.50 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 1uul h SER 83 CO 0.02 0.24 -0.21 0.45 -0.53 0.00 0.00 176.83 176.80 1uul h HIS 84 N 0.42 -0.57 -0.39 2.24 3.86 -0.37 -0.73 115.15 119.61 1uul h HIS 84 Ca 0.13 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.43 1uul h HIS 84 Cb -0.01 0.25 -0.06 0.00 1.06 0.00 0.00 27.41 28.66 1uul h HIS 84 CO -0.07 -0.30 0.04 1.25 0.86 0.00 0.00 177.93 179.70 1uul h LEU 85 N -0.36 -0.08 -0.70 2.43 5.85 -0.47 0.09 115.31 122.08 1uul h LEU 85 Ca 0.05 0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.94 1uul h LEU 85 Cb 0.42 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 1uul h LEU 85 CO -0.18 -0.00 0.35 0.00 -0.34 0.00 0.00 178.44 178.27 1uul h ALA 86 N 1.32 0.95 -0.23 1.25 0.00 0.21 0.47 119.26 123.24 1uul h ALA 86 Ca 0.19 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1uul h ALA 86 Cb 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1uul h ALA 86 CO -0.28 -0.03 -0.15 2.35 0.00 0.00 0.00 179.25 181.13 1uul h TRP 87 N 0.61 0.42 0.00 0.00 7.01 0.38 0.35 115.95 124.72 1uul h TRP 87 Ca 0.34 -0.06 -0.02 0.00 2.11 0.00 0.00 58.89 61.25 1uul h TRP 87 Cb 0.33 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 27.27 1uul h TRP 87 CO -0.10 0.53 -0.11 0.00 -2.79 0.00 0.00 178.44 175.97 1uul h THR 88 N 0.36 0.42 0.00 2.65 1.03 0.89 -2.65 112.91 115.61 1uul h THR 88 Ca 0.07 -0.57 0.00 0.00 -0.01 0.00 0.00 66.41 65.89 1uul h THR 88 Cb 0.49 1.40 0.00 0.00 -1.07 0.00 0.00 68.15 68.97 1uul h THR 88 CO 0.03 0.11 -0.27 0.28 -0.01 0.00 0.00 175.52 175.66 1uul h SER 89 N 0.00 0.00 -3.39 0.00 0.02 -0.25 -3.05 113.55 106.88 1uul h SER 89 Ca -0.00 -0.07 -0.54 0.00 -0.84 0.00 0.00 61.79 60.35 1uul h SER 89 Cb 0.39 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1uul h SER 89 CO 0.01 0.03 -0.13 -0.63 -1.14 0.00 0.00 176.83 174.98 1uul s ILE 90 N -3.16 4.96 0.31 3.27 1.01 -1.06 -4.93 121.20 121.60 1uul s ILE 90 Ca 0.08 0.37 -0.24 0.00 0.00 0.00 0.00 60.65 60.86 1uul s ILE 90 Cb 0.11 -3.64 -0.10 0.00 0.01 0.00 0.00 42.46 38.85 1uul s ILE 90 CO 0.66 -0.12 0.89 -0.70 0.00 0.00 0.00 174.94 175.67 1uul s GLU 91 N -2.97 4.46 0.26 2.79 -6.30 -1.26 -2.22 118.70 113.46 1uul s GLU 91 Ca 0.46 1.18 -0.07 0.00 -2.50 0.00 0.00 54.97 54.05 1uul s GLU 91 Cb -0.11 -2.76 0.47 0.00 0.00 0.00 0.00 34.13 31.72 1uul s GLU 91 CO 0.23 0.28 1.61 0.00 0.02 0.00 0.00 175.26 177.40 1uul h ARG 92 N 3.11 0.05 0.00 4.30 3.08 -1.84 0.34 114.38 123.43 1uul h ARG 92 Ca -0.47 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1uul h ARG 92 Cb 1.19 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1uul h ARG 92 CO 0.65 0.04 0.02 0.36 -1.07 0.00 0.00 179.97 179.96 1uul n LYS 93 N -5.43 0.00 -0.15 0.04 2.85 -1.26 -0.10 118.16 114.11 1uul n LYS 93 Ca 0.15 0.44 0.09 0.00 -1.05 0.00 0.00 58.31 57.94 1uul n LYS 93 Cb 0.51 -1.52 0.16 0.00 -0.65 0.00 0.00 35.03 33.53 1uul n LYS 93 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1uul n ARG 94 N -1.44 1.77 -0.51 -1.58 1.74 0.11 -4.93 116.66 111.82 1uul n ARG 94 Ca 0.00 -2.58 0.00 0.00 -0.77 0.00 0.00 57.85 54.50 1uul n ARG 94 Cb 0.02 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 1uul n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uul n GLY 95 N -1.15 0.75 3.27 -0.13 0.00 0.86 -4.94 105.19 103.85 1uul n GLY 95 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1uul n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uul n GLY 96 N -2.47 -0.65 0.10 -0.02 0.00 -0.65 -4.86 105.19 96.63 1uul n GLY 96 Ca 0.00 -1.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 1uul n GLY 96 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uul n LEU 97 N 0.00 0.11 0.00 0.99 4.32 -1.03 -3.95 117.00 117.44 1uul n LEU 97 Ca 0.14 -0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.13 1uul n LEU 97 Cb 0.49 0.43 0.00 0.00 -1.62 0.00 0.00 43.42 42.72 1uul n LEU 97 CO 0.35 0.49 0.00 0.61 -1.22 0.00 0.00 177.39 177.62 1uul n GLY 98 N 1.83 -0.70 3.75 -0.72 0.00 -0.94 -4.68 105.19 103.73 1uul n GLY 98 Ca -0.32 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 1uul n GLY 98 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uul n GLN 99 N -0.88 2.67 -4.19 1.61 1.13 -1.26 -4.68 117.38 111.78 1uul n GLN 99 Ca 0.00 0.95 -0.33 0.00 -1.94 0.00 0.00 57.00 55.68 1uul n GLN 99 Cb 0.00 -2.71 -0.08 0.00 0.11 0.00 0.00 30.24 27.56 1uul n GLN 99 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1uul s MET 100 N -1.08 2.91 0.00 -1.09 -1.94 -1.26 -5.01 119.30 111.83 1uul s MET 100 Ca 0.60 -0.56 0.18 0.00 -1.71 0.00 0.00 55.69 54.20 1uul s MET 100 Cb -0.49 -2.76 0.34 0.00 2.01 0.00 0.00 34.83 33.94 1uul s MET 100 CO 0.54 0.63 1.27 0.09 -0.01 0.00 0.00 175.02 177.54 1uul n ASN 101 N 1.26 3.09 -4.10 3.03 5.03 -1.26 -4.46 115.26 117.85 1uul n ASN 101 Ca -0.14 -1.90 -0.17 0.00 0.87 0.00 0.00 54.58 53.24 1uul n ASN 101 Cb 0.53 -0.21 -0.13 0.00 -1.02 0.00 0.00 39.78 38.95 1uul n ASN 101 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1uul s ILE 102 N -1.25 0.86 0.57 2.41 -4.36 -1.26 -4.89 121.20 113.28 1uul s ILE 102 Ca 0.31 -0.94 -0.17 0.00 -0.26 0.00 0.00 60.65 59.59 1uul s ILE 102 Cb 0.18 -0.81 -0.04 0.00 1.25 0.00 0.00 42.46 43.03 1uul s ILE 102 CO 0.25 -0.10 1.07 -2.84 0.24 0.00 0.00 174.94 173.56 1uul s PRO 103 N -1.16 3.34 -0.22 0.37 0.02 -1.26 -4.38 135.00 131.70 1uul s PRO 103 Ca -0.02 1.33 0.00 0.00 0.02 0.00 0.00 61.00 62.34 1uul s PRO 103 Cb -0.08 -2.03 0.06 0.00 0.02 0.00 0.00 34.50 32.47 1uul s PRO 103 CO 0.01 -0.81 -0.05 0.42 -0.33 0.00 0.00 177.00 176.24 1uul s ILE 104 N -2.23 1.40 0.65 2.83 1.01 -0.49 -2.34 121.20 122.02 1uul s ILE 104 Ca 0.66 -1.10 -0.16 0.00 0.00 0.00 0.00 60.65 60.05 1uul s ILE 104 Cb -0.18 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 1uul s ILE 104 CO 0.33 -0.08 1.16 -0.76 0.00 0.00 0.00 174.94 175.58 1uul s LEU 105 N 1.46 3.48 -0.51 2.97 1.43 0.01 -1.14 118.68 126.39 1uul s LEU 105 Ca -0.05 2.21 0.02 0.00 -1.03 0.00 0.00 54.13 55.28 1uul s LEU 105 Cb -0.18 -4.58 0.13 0.00 0.03 0.00 0.00 46.19 41.59 1uul s LEU 105 CO -0.07 -1.73 0.27 0.00 0.23 0.00 0.00 176.35 175.05 1uul s ALA 106 N -2.00 3.30 -1.10 4.21 0.00 -0.40 -2.98 121.76 122.78 1uul s ALA 106 Ca 0.72 -3.08 -0.14 0.00 0.00 0.00 0.00 51.96 49.47 1uul s ALA 106 Cb -0.25 -2.28 0.19 0.00 0.00 0.00 0.00 23.12 20.78 1uul s ALA 106 CO 0.38 -1.96 1.25 0.16 0.00 0.00 0.00 175.76 175.59 1uul s ASP 107 N 0.37 7.02 0.56 0.00 -4.77 0.16 -4.66 116.67 115.35 1uul s ASP 107 Ca 0.15 -2.94 0.25 0.00 -3.30 0.00 0.00 52.55 46.71 1uul s ASP 107 Cb -0.23 -2.34 1.61 0.00 -1.09 0.00 0.00 42.92 40.87 1uul s ASP 107 CO -0.03 -0.68 2.21 0.11 0.70 0.00 0.00 175.17 177.48 1uul h LYS 108 N 7.40 0.00 0.00 2.11 1.57 -1.81 -0.08 116.57 125.77 1uul h LYS 108 Ca 0.24 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.87 1uul h LYS 108 Cb 0.92 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1uul h LYS 108 CO 1.12 0.00 -0.83 1.79 -0.57 0.00 0.00 179.45 180.97 1uul h THR 109 N 0.00 0.99 0.00 -0.16 1.35 -1.90 -3.47 112.91 109.72 1uul h THR 109 Ca 0.01 -2.47 0.00 0.00 -0.55 0.00 0.00 66.41 63.39 1uul h THR 109 Cb 0.03 2.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1uul h THR 109 CO -0.00 0.57 0.00 0.29 -0.25 0.00 0.00 175.52 176.13 1uul n LYS 110 N -3.19 -0.42 -0.21 4.72 5.02 -0.04 -4.93 118.16 119.12 1uul n LYS 110 Ca -0.01 0.10 -0.06 0.00 -2.02 0.00 0.00 58.31 56.32 1uul n LYS 110 Cb 0.81 -3.41 0.04 0.00 -0.02 0.00 0.00 35.03 32.45 1uul n LYS 110 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uul h ILE 112 N 0.80 0.51 0.00 0.00 2.04 -1.91 -0.59 117.51 118.37 1uul h ILE 112 Ca 0.22 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.06 1uul h ILE 112 Cb -0.09 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1uul h ILE 112 CO -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 178.15 178.02 1uul h MET 113 N -0.64 0.00 -0.26 2.37 -0.00 -1.92 -0.96 114.93 113.52 1uul h MET 113 Ca -0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.60 1uul h MET 113 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.09 1uul h MET 113 CO 0.09 0.08 0.01 0.87 -0.00 0.00 0.00 176.91 177.96 1uul h LYS 114 N 0.00 0.46 -0.92 -0.10 1.57 -0.91 -1.61 116.57 115.06 1uul h LYS 114 Ca -0.00 -0.14 0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1uul h LYS 114 Cb 0.15 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.35 1uul h LYS 114 CO 0.01 0.61 0.59 0.77 -0.57 0.00 0.00 179.45 180.87 1uul h SER 115 N 0.25 0.90 -0.20 0.86 0.02 0.20 -0.18 113.55 115.40 1uul h SER 115 Ca 0.08 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1uul h SER 115 Cb 0.40 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1uul h SER 115 CO 0.01 0.56 0.00 -1.22 -1.14 0.00 0.00 176.83 175.04 1uul n TYR 116 N -4.51 0.25 -3.78 3.45 4.02 -0.73 -2.83 117.16 113.04 1uul n TYR 116 Ca 0.14 -0.13 -0.27 0.00 -0.01 0.00 0.00 57.90 57.64 1uul n TYR 116 Cb 0.23 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.59 1uul n TYR 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1uul n GLY 117 N 1.14 -0.49 0.14 2.72 0.00 -0.08 -4.79 105.19 103.83 1uul n GLY 117 Ca 0.16 0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.45 1uul n GLY 117 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1uul n VAL 118 N -4.74 1.39 -2.73 1.61 0.24 -0.66 -4.71 118.33 108.73 1uul n VAL 118 Ca -0.01 -1.64 -0.41 0.00 -2.04 0.00 0.00 64.34 60.24 1uul n VAL 118 Cb 0.56 0.02 -0.04 0.00 -1.47 0.00 0.00 33.84 32.90 1uul n VAL 118 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1uul s LEU 119 N -2.05 4.50 -0.58 1.34 0.20 -1.21 -0.40 118.68 120.48 1uul s LEU 119 Ca 0.21 1.80 -0.15 0.00 0.69 0.00 0.00 54.13 56.68 1uul s LEU 119 Cb 0.19 -3.59 0.14 0.00 -0.43 0.00 0.00 46.19 42.50 1uul s LEU 119 CO 0.02 -0.06 0.54 -1.59 -0.29 0.00 0.00 176.35 174.97 1uul s LYS 120 N -0.05 3.07 0.38 1.98 -2.85 0.80 -4.89 119.74 118.18 1uul s LYS 120 Ca 0.47 -1.83 0.18 0.00 -1.00 0.00 0.00 55.97 53.79 1uul s LYS 120 Cb -0.23 -4.31 1.11 0.00 -2.06 0.00 0.00 37.83 32.34 1uul s LYS 120 CO 0.30 -1.32 1.73 0.93 0.10 0.00 0.00 175.35 177.09 1uul h GLU 121 N 8.70 0.36 0.00 1.78 5.08 -1.95 -0.09 114.58 128.46 1uul h GLU 121 Ca -0.23 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.04 1uul h GLU 121 Cb 1.09 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1uul h GLU 121 CO 0.99 0.24 -0.30 1.05 -1.00 0.00 0.00 179.01 179.99 1uul h GLU 122 N 0.37 0.00 0.00 2.33 9.09 -1.96 -3.29 114.58 121.12 1uul h GLU 122 Ca 0.65 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 60.05 1uul h GLU 122 Cb 1.64 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.73 1uul h GLU 122 CO -0.38 0.30 -1.45 -0.25 0.05 0.00 0.00 179.01 177.28 1uul n ASP 123 N -3.79 2.84 0.00 3.06 8.00 -0.21 -5.01 116.55 121.45 1uul n ASP 123 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1uul n ASP 123 Cb 0.39 1.36 0.00 0.00 -0.02 0.00 0.00 41.12 42.85 1uul n ASP 123 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uul n GLY 124 N 2.02 0.60 3.49 0.44 0.00 -0.26 -5.06 105.19 106.42 1uul n GLY 124 Ca -0.03 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 1uul n GLY 124 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1uul s VAL 125 N -2.00 1.12 -0.05 1.61 -7.23 -1.24 -4.90 120.40 107.70 1uul s VAL 125 Ca 0.00 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.09 1uul s VAL 125 Cb 0.00 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 1uul s VAL 125 CO 0.00 0.00 0.22 0.00 -0.31 0.00 0.00 175.10 175.01 1uul s ALA 126 N -3.22 3.85 0.99 1.32 0.00 -1.26 -0.14 121.76 123.30 1uul s ALA 126 Ca 0.32 -0.57 -0.13 0.00 0.00 0.00 0.00 51.96 51.58 1uul s ALA 126 Cb 0.07 -2.05 0.19 0.00 0.00 0.00 0.00 23.12 21.33 1uul s ALA 126 CO 0.15 0.62 1.10 0.71 0.00 0.00 0.00 175.76 178.34 1uul s TYR 127 N -1.14 2.13 -1.25 0.00 4.12 0.46 -2.99 117.35 118.68 1uul s TYR 127 Ca 0.21 0.92 -0.17 0.00 0.02 0.00 0.00 57.07 58.06 1uul s TYR 127 Cb -0.13 -3.31 -0.02 0.00 -1.52 0.00 0.00 41.96 36.98 1uul s TYR 127 CO 0.10 -2.85 2.11 0.54 0.02 0.00 0.00 175.55 175.48 1uul n ARG 128 N -4.13 2.45 -3.45 -0.62 1.74 -0.87 -4.34 116.66 107.45 1uul n ARG 128 Ca 0.06 -2.41 -0.37 0.00 -0.77 0.00 0.00 57.85 54.36 1uul n ARG 128 Cb 0.58 -3.20 -0.06 0.00 -1.02 0.00 0.00 32.46 28.76 1uul n ARG 128 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1uul s GLY 129 N 3.83 2.47 -0.03 -0.13 0.00 -1.23 -1.70 107.32 110.54 1uul s GLY 129 Ca 0.51 -0.19 0.02 0.00 0.00 0.00 0.00 44.72 45.05 1uul s GLY 129 CO -0.02 0.12 -0.07 -2.27 0.00 0.00 0.00 173.10 170.86 1uul s LEU 130 N -1.50 1.73 0.01 0.66 0.20 0.29 -0.30 118.68 119.77 1uul s LEU 130 Ca 0.30 -0.16 0.03 0.00 0.69 0.00 0.00 54.13 55.00 1uul s LEU 130 Cb -0.16 -0.47 -0.01 0.00 -0.43 0.00 0.00 46.19 45.11 1uul s LEU 130 CO 0.17 0.04 -0.11 -0.36 -0.29 0.00 0.00 176.35 175.80 1uul s PHE 131 N 0.28 0.96 -0.32 5.38 0.40 0.29 -0.69 117.98 124.28 1uul s PHE 131 Ca -0.04 -0.24 -0.08 0.00 -0.60 0.00 0.00 56.93 55.98 1uul s PHE 131 Cb -0.09 -0.60 0.02 0.00 0.51 0.00 0.00 43.02 42.86 1uul s PHE 131 CO 0.00 -0.01 0.11 0.42 0.70 0.00 0.00 175.22 176.45 1uul s ILE 132 N -0.47 4.09 -0.08 0.64 1.01 -0.83 -1.13 121.20 124.42 1uul s ILE 132 Ca 0.02 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 1uul s ILE 132 Cb -0.05 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 1uul s ILE 132 CO 0.00 -0.02 0.16 -0.63 0.00 0.00 0.00 174.94 174.45 1uul s ILE 133 N 1.50 5.48 0.50 2.92 -1.09 0.19 -1.20 121.20 129.50 1uul s ILE 133 Ca 0.02 0.08 0.07 0.00 -2.23 0.00 0.00 60.65 58.59 1uul s ILE 133 Cb -0.18 -3.45 0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1uul s ILE 133 CO 0.04 0.52 0.69 1.51 -1.23 0.00 0.00 174.94 176.46 1uul s ASP 134 N -1.35 5.35 0.62 3.58 1.47 -0.63 -0.86 116.67 124.85 1uul s ASP 134 Ca 0.19 -0.49 0.28 0.00 1.18 0.00 0.00 52.55 53.71 1uul s ASP 134 Cb -0.12 -0.35 1.47 0.00 -0.34 0.00 0.00 42.92 43.57 1uul s ASP 134 CO 0.09 -1.06 1.86 -0.65 0.68 0.00 0.00 175.17 176.09 1uul h PRO 135 N 0.34 0.00 -0.18 2.11 0.11 -1.82 0.50 132.00 133.06 1uul h PRO 135 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1uul h PRO 135 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1uul h PRO 135 CO 0.44 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.86 1uul n LYS 136 N -3.37 1.86 -1.99 1.05 5.02 -1.26 -1.81 118.16 117.66 1uul n LYS 136 Ca 0.05 -1.29 -0.07 0.00 -2.02 0.00 0.00 58.31 54.98 1uul n LYS 136 Cb 0.60 -1.42 -0.01 0.00 -0.02 0.00 0.00 35.03 34.18 1uul n LYS 136 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1uul n GLN 137 N 0.52 -0.57 -3.98 1.97 1.13 0.17 -5.00 117.38 111.63 1uul n GLN 137 Ca 0.17 0.41 -0.33 0.00 -1.94 0.00 0.00 57.00 55.31 1uul n GLN 137 Cb 0.38 -4.30 -0.06 0.00 0.11 0.00 0.00 30.24 26.37 1uul n GLN 137 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1uul s ASN 138 N -2.71 6.10 -0.02 1.08 0.01 -1.25 -0.63 114.94 117.52 1uul s ASN 138 Ca 0.00 0.26 -0.30 0.00 -0.71 0.00 0.00 52.86 52.11 1uul s ASN 138 Cb 0.00 -1.85 -0.04 0.00 0.41 0.00 0.00 41.25 39.77 1uul s ASN 138 CO 0.00 0.26 1.20 -0.22 -1.51 0.00 0.00 177.10 176.83 1uul s LEU 139 N -1.92 4.31 0.00 0.60 2.96 -0.63 -1.61 118.68 122.39 1uul s LEU 139 Ca 0.26 1.88 0.00 0.00 -0.22 0.00 0.00 54.13 56.05 1uul s LEU 139 Cb -0.12 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1uul s LEU 139 CO 0.18 -0.55 0.12 0.54 -1.32 0.00 0.00 176.35 175.32 1uul n ARG 140 N 4.81 3.25 -3.65 1.98 1.74 -0.34 0.05 116.66 124.49 1uul n ARG 140 Ca 0.10 -0.12 -0.10 0.00 -0.77 0.00 0.00 57.85 56.96 1uul n ARG 140 Cb 0.46 -0.54 -0.08 0.00 -1.02 0.00 0.00 32.46 31.29 1uul n ARG 140 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1uul s GLN 141 N -0.50 0.70 -0.05 5.56 -0.44 -1.23 -4.95 119.66 118.75 1uul s GLN 141 Ca 0.00 1.04 0.05 0.00 -2.50 0.00 0.00 55.36 53.95 1uul s GLN 141 Cb 0.00 0.22 -0.01 0.00 -1.64 0.00 0.00 33.01 31.59 1uul s GLN 141 CO 0.00 -0.13 -0.20 0.42 0.50 0.00 0.00 175.29 175.89 1uul s ILE 142 N 1.04 1.61 -0.11 -2.34 1.01 -1.26 -1.96 121.20 119.18 1uul s ILE 142 Ca -0.06 -0.82 -0.04 0.00 0.00 0.00 0.00 60.65 59.73 1uul s ILE 142 Cb -0.05 -1.38 0.06 0.00 0.01 0.00 0.00 42.46 41.10 1uul s ILE 142 CO -0.10 0.46 0.20 -0.89 0.00 0.00 0.00 174.94 174.61 1uul s THR 143 N -0.05 -0.32 -0.09 2.92 2.01 0.13 -4.99 115.64 115.25 1uul s THR 143 Ca -0.03 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.24 1uul s THR 143 Cb -0.12 -0.39 0.02 0.00 0.01 0.00 0.00 72.50 72.02 1uul s THR 143 CO 0.02 0.09 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.28 1uul s VAL 144 N 2.34 0.93 -0.03 3.82 1.01 -1.26 0.10 120.40 127.32 1uul s VAL 144 Ca 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1uul s VAL 144 Cb -0.13 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 1uul s VAL 144 CO -0.07 0.34 0.05 0.20 0.00 0.00 0.00 175.10 175.61 1uul s ASN 145 N 1.44 5.49 0.92 3.32 0.02 -0.69 -4.96 114.94 120.48 1uul s ASN 145 Ca -0.01 0.12 -0.10 0.00 -1.02 0.00 0.00 52.86 51.85 1uul s ASN 145 Cb -0.13 -1.55 0.15 0.00 0.02 0.00 0.00 41.25 39.74 1uul s ASN 145 CO -0.05 0.30 1.14 -0.62 0.02 0.00 0.00 177.10 177.89 1uul s ASP 146 N -1.49 2.88 0.25 -1.22 2.15 -1.26 -2.05 116.67 115.92 1uul s ASP 146 Ca 0.20 2.12 -0.04 0.00 0.43 0.00 0.00 52.55 55.26 1uul s ASP 146 Cb -0.12 -2.55 0.45 0.00 -0.30 0.00 0.00 42.92 40.41 1uul s ASP 146 CO 0.10 -3.12 1.77 -0.07 -0.17 0.00 0.00 175.17 173.68 1uul h LEU 147 N -1.88 0.48 -0.79 -1.34 3.38 -1.97 -3.00 115.31 110.19 1uul h LEU 147 Ca -0.44 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1uul h LEU 147 Cb 1.27 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1uul h LEU 147 CO 0.43 0.23 0.00 -2.65 0.09 0.00 0.00 178.44 176.53 1uul n PRO 148 N -4.88 0.18 -4.54 1.13 -0.02 -1.26 -4.69 135.00 120.91 1uul n PRO 148 Ca 0.14 0.45 -0.33 0.00 -2.02 0.00 0.00 63.50 61.75 1uul n PRO 148 Cb 0.37 -1.87 -0.15 0.00 -0.02 0.00 0.00 33.50 31.83 1uul n PRO 148 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1uul s VAL 149 N -3.34 2.67 0.71 -1.45 1.01 -1.13 -5.02 120.40 113.85 1uul s VAL 149 Ca 0.03 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 1uul s VAL 149 Cb 0.09 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.36 1uul s VAL 149 CO 0.35 0.52 1.10 -0.83 0.00 0.00 0.00 175.10 176.24 1uul s GLY 150 N 0.79 1.63 0.80 4.51 0.00 -1.26 -4.72 107.32 109.08 1uul s GLY 150 Ca -0.06 -0.33 -0.07 0.00 0.00 0.00 0.00 44.72 44.26 1uul s GLY 150 CO 0.00 0.04 1.11 0.50 0.00 0.00 0.00 173.10 174.75 1uul s ARG 151 N -5.35 1.39 -0.25 2.90 0.52 -1.26 -5.08 118.95 111.82 1uul s ARG 151 Ca 0.58 -0.74 0.01 0.00 -0.52 0.00 0.00 55.73 55.06 1uul s ARG 151 Cb -0.11 -2.14 0.04 0.00 0.52 0.00 0.00 34.95 33.26 1uul s ARG 151 CO 0.52 -1.76 -0.09 0.34 0.02 0.00 0.00 175.30 174.33 1uul s ASP 152 N -4.76 4.28 0.31 0.23 2.15 -1.26 -4.99 116.67 112.64 1uul s ASP 152 Ca 0.68 -1.11 0.01 0.00 0.43 0.00 0.00 52.55 52.55 1uul s ASP 152 Cb -0.06 -1.60 0.54 0.00 -0.30 0.00 0.00 42.92 41.50 1uul s ASP 152 CO 0.47 -0.15 1.95 0.58 -0.17 0.00 0.00 175.17 177.85 1uul h VAL 153 N 6.41 1.12 -0.18 1.11 2.07 -1.98 -1.81 116.25 123.00 1uul h VAL 153 Ca -0.27 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1uul h VAL 153 Cb 1.08 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1uul h VAL 153 CO 0.53 0.18 -0.08 0.44 0.02 0.00 0.00 177.57 178.67 1uul h ASP 154 N 1.01 0.25 -0.01 0.57 3.32 -1.99 -1.51 116.42 118.06 1uul h ASP 154 Ca 0.33 -0.04 -0.16 0.00 0.02 0.00 0.00 57.03 57.18 1uul h ASP 154 Cb 0.07 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1uul h ASP 154 CO -0.10 0.37 -0.55 -0.08 -1.72 0.00 0.00 179.24 177.16 1uul h GLU 155 N 0.26 0.59 -0.78 3.56 4.57 -1.76 0.70 114.58 121.72 1uul h GLU 155 Ca 0.06 -0.37 -0.05 0.00 -1.18 0.00 0.00 59.36 57.81 1uul h GLU 155 Cb 0.31 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.90 1uul h GLU 155 CO 0.01 0.98 0.29 0.00 -1.18 0.00 0.00 179.01 179.11 1uul h ALA 156 N 0.94 1.01 0.11 2.92 0.00 -1.07 0.05 119.26 123.23 1uul h ALA 156 Ca 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1uul h ALA 156 Cb 1.10 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1uul h ALA 156 CO 0.11 0.66 -0.05 1.25 0.00 0.00 0.00 179.25 181.21 1uul h LEU 157 N 1.14 -0.13 -0.52 0.00 6.46 -0.96 -0.60 115.31 120.70 1uul h LEU 157 Ca 0.26 -0.05 0.07 0.00 -0.12 0.00 0.00 57.88 58.04 1uul h LEU 157 Cb 0.25 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.16 1uul h LEU 157 CO -0.02 -0.04 0.20 -0.09 -0.62 0.00 0.00 178.44 177.88 1uul h ARG 158 N -0.21 0.37 -0.56 1.25 2.43 -0.60 -1.31 114.38 115.76 1uul h ARG 158 Ca -0.02 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1uul h ARG 158 Cb 0.17 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1uul h ARG 158 CO 0.03 0.25 0.26 -0.07 -1.51 0.00 0.00 179.97 178.93 1uul h LEU 159 N 0.39 0.73 -0.42 3.80 3.38 -0.61 -0.02 115.31 122.56 1uul h LEU 159 Ca 0.25 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1uul h LEU 159 Cb 0.26 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1uul h LEU 159 CO -0.25 0.66 0.18 0.58 0.09 0.00 0.00 178.44 179.70 1uul h VAL 160 N 0.75 1.19 -0.63 1.22 2.07 -0.53 -0.68 116.25 119.64 1uul h VAL 160 Ca 0.19 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1uul h VAL 160 Cb 0.13 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1uul h VAL 160 CO -0.02 0.22 0.38 0.11 0.02 0.00 0.00 177.57 178.27 1uul h LYS 161 N 0.53 0.86 -0.55 1.57 1.57 -0.96 0.41 116.57 120.00 1uul h LYS 161 Ca 0.14 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 1uul h LYS 161 Cb 0.17 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 1uul h LYS 161 CO -0.01 0.62 0.29 0.00 -0.57 0.00 0.00 179.45 179.77 1uul h ALA 162 N 1.19 0.71 -0.17 3.86 0.00 -0.56 0.12 119.26 124.41 1uul h ALA 162 Ca 0.23 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 1uul h ALA 162 Cb -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1uul h ALA 162 CO -0.04 -0.05 -0.38 0.74 0.00 0.00 0.00 179.25 179.52 1uul h PHE 163 N 0.55 0.44 -0.59 0.00 -1.00 -0.39 -1.27 116.94 114.68 1uul h PHE 163 Ca 0.24 -0.12 -0.10 0.00 2.81 0.00 0.00 57.97 60.81 1uul h PHE 163 Cb 0.14 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.58 1uul h PHE 163 CO -0.10 0.71 -0.01 1.96 -1.61 0.00 0.00 178.31 179.26 1uul h GLN 164 N 0.32 1.05 -0.53 1.51 4.20 -0.35 -1.54 115.11 119.76 1uul h GLN 164 Ca 0.03 -0.34 -0.03 0.00 0.06 0.00 0.00 58.65 58.37 1uul h GLN 164 Cb 0.82 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 1uul h GLN 164 CO 0.07 1.04 0.21 0.35 -0.67 0.00 0.00 178.83 179.82 1uul h PHE 165 N 0.96 0.82 -0.56 2.96 3.04 -0.25 -2.54 116.94 121.36 1uul h PHE 165 Ca 0.17 -0.06 -0.11 0.00 3.98 0.00 0.00 57.97 61.94 1uul h PHE 165 Cb 0.57 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 38.82 1uul h PHE 165 CO 0.04 0.67 -0.08 0.28 -2.02 0.00 0.00 178.31 177.20 1uul h VAL 166 N 0.72 1.27 0.00 1.41 2.07 -1.05 -2.31 116.25 118.36 1uul h VAL 166 Ca 0.18 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1uul h VAL 166 Cb 0.20 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1uul h VAL 166 CO -0.01 0.44 0.00 1.21 0.02 0.00 0.00 177.57 179.23 1uul n GLU 167 N -4.16 0.03 -0.07 1.57 4.07 -0.60 -2.29 120.64 119.19 1uul n GLU 167 Ca 0.02 0.23 -0.05 0.00 -0.06 0.00 0.00 57.16 57.30 1uul n GLU 167 Cb 0.39 -1.55 -0.14 0.00 -0.06 0.00 0.00 31.44 30.08 1uul n GLU 167 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1uul n LYS 168 N -1.61 1.01 0.00 5.31 4.81 -0.99 -4.70 118.16 121.99 1uul n LYS 168 Ca 0.04 -0.04 0.01 0.00 -0.87 0.00 0.00 58.31 57.44 1uul n LYS 168 Cb 0.21 -1.45 -0.00 0.00 0.02 0.00 0.00 35.03 33.81 1uul n LYS 168 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1uul n HIS 169 N -2.54 0.00 -0.81 5.64 8.25 -0.90 -4.98 115.22 119.87 1uul n HIS 169 Ca -0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 1uul n HIS 169 Cb 0.95 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.06 1uul n HIS 169 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1uul n GLY 170 N 0.70 0.61 3.90 -1.41 0.00 -0.97 -4.98 105.19 103.03 1uul n GLY 170 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1uul n GLY 170 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uul s GLU 171 N -0.39 3.67 0.04 1.61 2.02 -1.26 -4.59 118.70 119.79 1uul s GLU 171 Ca 0.00 0.05 -0.03 0.00 0.02 0.00 0.00 54.97 55.01 1uul s GLU 171 Cb 0.00 -2.68 -0.04 0.00 0.10 0.00 0.00 34.13 31.51 1uul s GLU 171 CO 0.00 0.27 0.23 0.08 0.02 0.00 0.00 175.26 175.86 1uul s VAL 172 N -1.96 5.36 -0.31 2.63 1.01 0.13 -4.38 120.40 122.88 1uul s VAL 172 Ca 0.44 -0.17 -0.14 0.00 0.00 0.00 0.00 61.98 62.11 1uul s VAL 172 Cb -0.11 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1uul s VAL 172 CO 0.27 0.22 0.32 0.00 0.00 0.00 0.00 175.10 175.91 1uul s PRO 174 N 1.95 -2.58 0.34 0.00 0.02 -1.26 -4.89 135.00 128.57 1uul s PRO 174 Ca 0.11 0.22 -0.29 0.00 0.02 0.00 0.00 61.00 61.07 1uul s PRO 174 Cb -0.16 -1.41 -0.11 0.00 0.02 0.00 0.00 34.50 32.84 1uul s PRO 174 CO 0.11 -4.67 1.51 0.00 -0.33 0.00 0.00 177.00 173.63 1uul s ALA 175 N -2.34 3.64 0.00 -1.55 0.00 -1.26 -2.63 121.76 117.61 1uul s ALA 175 Ca 0.69 1.55 0.00 0.00 0.00 0.00 0.00 51.96 54.19 1uul s ALA 175 Cb -0.15 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1uul s ALA 175 CO 0.59 -0.99 0.00 0.09 0.00 0.00 0.00 175.76 175.45 1uul n ASN 176 N 1.21 -2.54 -4.54 0.00 3.02 -1.26 -4.92 115.26 106.22 1uul n ASN 176 Ca 0.04 0.00 -0.58 0.00 -0.03 0.00 0.00 54.58 54.01 1uul n ASN 176 Cb 0.39 -1.60 -0.08 0.00 -0.61 0.00 0.00 39.78 37.88 1uul n ASN 176 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 1uul n TRP 177 N -2.31 0.96 -4.33 3.10 -0.00 -1.08 -4.99 117.44 108.79 1uul n TRP 177 Ca 0.00 0.95 -0.22 0.00 -0.00 0.00 0.00 57.50 58.24 1uul n TRP 177 Cb 0.14 -2.17 -0.11 0.00 -0.00 0.00 0.00 31.31 29.17 1uul n TRP 177 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1uul s LYS 178 N 0.42 1.28 0.17 5.87 1.02 -1.26 -5.00 119.74 122.24 1uul s LYS 178 Ca 0.91 -1.41 -0.34 0.00 0.02 0.00 0.00 55.97 55.15 1uul s LYS 178 Cb -1.21 -1.34 -0.15 0.00 -0.52 0.00 0.00 37.83 34.62 1uul s LYS 178 CO 0.57 0.27 1.42 -2.30 -0.92 0.00 0.00 175.35 174.39 1uul n PRO 179 N 0.29 1.75 0.00 -1.68 -0.02 -1.26 -1.43 135.00 132.65 1uul n PRO 179 Ca -0.13 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1uul n PRO 179 Cb 0.57 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1uul n PRO 179 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uul n GLY 180 N 2.69 1.92 3.80 -1.23 0.00 -1.26 -5.07 105.19 106.03 1uul n GLY 180 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1uul n GLY 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uul s ASP 181 N -1.53 4.79 -0.10 1.61 1.11 -0.51 -4.99 116.67 117.05 1uul s ASP 181 Ca 0.00 1.53 -0.30 0.00 0.18 0.00 0.00 52.55 53.97 1uul s ASP 181 Cb 0.00 -2.32 -0.03 0.00 1.07 0.00 0.00 42.92 41.64 1uul s ASP 181 CO 0.00 -1.81 1.30 -0.54 1.18 0.00 0.00 175.17 175.30 1uul s LYS 182 N -5.05 4.27 0.48 8.23 1.02 -1.26 -4.98 119.74 122.45 1uul s LYS 182 Ca 0.60 1.76 0.07 0.00 0.02 0.00 0.00 55.97 58.41 1uul s LYS 182 Cb -0.15 -3.70 0.01 0.00 -0.52 0.00 0.00 37.83 33.47 1uul s LYS 182 CO 0.55 -0.63 0.43 0.95 -0.92 0.00 0.00 175.35 175.72 1uul s THR 183 N 3.06 2.19 0.23 2.17 -4.23 -1.26 -4.65 115.64 113.14 1uul s THR 183 Ca 0.58 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 1uul s THR 183 Cb -0.25 -2.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.98 1uul s THR 183 CO 0.20 0.00 0.14 0.00 -0.54 0.00 0.00 174.62 174.42 1uul s MET 184 N -4.24 1.31 -0.14 3.99 0.00 -0.99 -4.94 119.30 114.29 1uul s MET 184 Ca 0.44 -1.70 -0.10 0.00 0.00 0.00 0.00 55.69 54.33 1uul s MET 184 Cb -0.03 0.17 -0.05 0.00 0.00 0.00 0.00 34.83 34.93 1uul s MET 184 CO 0.26 -0.40 0.19 0.15 0.00 0.00 0.00 175.02 175.22 1uul s LYS 185 N -4.06 3.87 0.00 3.16 -0.14 -1.26 0.20 119.74 121.51 1uul s LYS 185 Ca 0.39 -0.07 -0.01 0.00 -1.36 0.00 0.00 55.97 54.92 1uul s LYS 185 Cb 0.07 -3.31 -0.03 0.00 -1.68 0.00 0.00 37.83 32.88 1uul s LYS 185 CO 0.14 0.52 0.91 -2.30 -0.76 0.00 0.00 175.35 173.86 1uul n PRO 186 N 2.73 0.41 -4.25 -1.68 -0.02 -1.26 -4.15 135.00 126.78 1uul n PRO 186 Ca -0.17 -0.11 -0.17 0.00 -2.02 0.00 0.00 63.50 61.03 1uul n PRO 186 Cb 0.53 -1.47 -0.14 0.00 -0.02 0.00 0.00 33.50 32.40 1uul n PRO 186 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1uul s ASP 187 N 2.28 0.94 0.10 2.55 -1.08 -1.26 -5.07 116.67 115.12 1uul s ASP 187 Ca 0.08 -0.22 -0.27 0.00 -0.52 0.00 0.00 52.55 51.62 1uul s ASP 187 Cb 0.04 -0.08 -0.10 0.00 -1.46 0.00 0.00 42.92 41.32 1uul s ASP 187 CO 0.00 0.04 1.44 -0.65 0.52 0.00 0.00 175.17 176.53 1uul h PRO 188 N 5.66 -0.43 0.00 4.34 0.11 -1.99 -2.13 132.00 137.56 1uul h PRO 188 Ca -0.31 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1uul h PRO 188 Cb 1.19 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1uul h PRO 188 CO 0.48 -0.29 0.00 -1.91 -0.21 0.00 0.00 178.00 176.07 1uul n GLU 189 N -4.85 0.00 0.00 1.05 0.00 -1.26 -2.97 120.64 112.60 1uul n GLU 189 Ca -0.05 0.48 0.00 0.00 0.00 0.00 0.00 57.16 57.60 1uul n GLU 189 Cb 0.30 -1.46 0.00 0.00 0.00 0.00 0.00 31.44 30.28 1uul n GLU 189 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1uul n LYS 190 N -1.92 0.00 0.00 5.31 4.81 -1.23 0.57 118.16 125.70 1uul n LYS 190 Ca 0.00 0.14 0.11 0.00 -0.87 0.00 0.00 58.31 57.69 1uul n LYS 190 Cb 0.00 -1.68 -0.05 0.00 0.02 0.00 0.00 35.03 33.32 1uul n LYS 190 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1uul n SER 191 N -1.05 1.36 0.29 3.14 3.41 -0.80 -4.27 113.62 115.69 1uul n SER 191 Ca 0.00 -1.15 0.15 0.00 -0.26 0.00 0.00 58.87 57.60 1uul n SER 191 Cb 0.18 0.75 0.87 0.00 -0.26 0.00 0.00 64.21 65.76 1uul n SER 191 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1uul h LYS 192 N 0.93 0.00 0.00 4.33 1.79 0.05 -1.27 116.57 122.39 1uul h LYS 192 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1uul h LYS 192 Cb 0.59 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 1uul h LYS 192 CO 0.00 0.04 0.00 0.93 -1.08 0.00 0.00 179.45 179.34 1uul h GLU 193 N 0.00 0.00 0.04 3.15 5.08 -1.77 -2.74 114.58 118.34 1uul h GLU 193 Ca -0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1uul h GLU 193 Cb 0.11 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1uul h GLU 193 CO 0.00 0.00 -1.71 -0.92 -1.00 0.00 0.00 179.01 175.38 1uul h TYR 194 N 0.00 0.15 0.00 4.33 3.20 -1.52 -3.32 116.97 119.81 1uul h TYR 194 Ca 0.00 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.76 1uul h TYR 194 Cb 0.53 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.80 1uul h TYR 194 CO 0.00 1.20 0.00 1.19 -1.64 0.00 0.00 178.16 178.91 1uul n PHE 195 N -3.19 0.00 -2.13 -3.82 3.72 -1.06 -3.79 117.46 107.19 1uul n PHE 195 Ca -0.19 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.79 1uul n PHE 195 Cb 1.04 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 1uul n PHE 195 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uul n GLY 196 N 1.00 3.63 0.00 1.37 0.00 -1.06 -5.12 105.19 105.01 1uul n GLY 196 Ca 0.09 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1uul n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32