#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 -3.45 1.61 2.13 -0.99 -4.51 120.64 115.43 1uul n GLU 5 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 1uul n GLU 5 Cb 0.00 -1.07 -0.09 0.00 0.27 0.00 0.00 31.44 30.55 1uul n GLU 5 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1uul s ALA 6 N -0.34 3.48 0.05 4.31 0.00 -1.13 -4.70 121.76 123.41 1uul s ALA 6 Ca 0.00 -1.93 0.06 0.00 0.00 0.00 0.00 51.96 50.08 1uul s ALA 6 Cb 0.00 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 1uul s ALA 6 CO 0.00 -1.59 -0.12 -1.21 0.00 0.00 0.00 175.76 172.84 1uul s GLU 7 N 1.63 2.24 0.34 0.00 2.02 -1.26 -5.02 118.70 118.65 1uul s GLU 7 Ca 0.04 -0.91 -0.29 0.00 0.02 0.00 0.00 54.97 53.83 1uul s GLU 7 Cb -0.22 -2.32 -0.11 0.00 0.10 0.00 0.00 34.13 31.59 1uul s GLU 7 CO 0.07 0.55 1.43 -0.51 0.02 0.00 0.00 175.26 176.82 1uul s ASP 8 N -1.64 6.53 -0.77 -0.19 1.01 -1.26 -2.69 116.67 117.66 1uul s ASP 8 Ca 0.17 2.87 0.00 0.00 0.71 0.00 0.00 52.55 56.30 1uul s ASP 8 Cb -0.11 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.17 1uul s ASP 8 CO 0.08 -0.74 0.00 0.18 0.21 0.00 0.00 175.17 174.90 1uul n LEU 9 N 0.98 -0.54 -4.34 1.23 7.99 0.11 -4.96 117.00 117.47 1uul n LEU 9 Ca 0.02 0.18 -0.20 0.00 -0.01 0.00 0.00 56.01 56.00 1uul n LEU 9 Cb 0.40 -1.33 -0.11 0.00 -0.11 0.00 0.00 43.42 42.28 1uul n LEU 9 CO 0.62 -0.38 -0.46 -1.00 -1.51 0.00 0.00 177.39 174.66 1uul s HIS 10 N -2.27 1.78 0.16 -1.77 3.76 -1.10 -4.90 115.29 110.96 1uul s HIS 10 Ca 0.00 -0.51 -0.34 0.00 -0.15 0.00 0.00 55.06 54.06 1uul s HIS 10 Cb 0.00 -0.85 -0.15 0.00 1.11 0.00 0.00 32.58 32.69 1uul s HIS 10 CO 0.00 0.36 1.35 -2.30 -0.85 0.00 0.00 174.74 173.31 1uul n PRO 11 N -0.08 1.57 -1.95 8.40 -0.02 -1.26 -1.47 135.00 140.19 1uul n PRO 11 Ca -0.10 0.56 -0.37 0.00 -2.02 0.00 0.00 63.50 61.57 1uul n PRO 11 Cb 0.59 -2.19 0.03 0.00 -0.02 0.00 0.00 33.50 31.90 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 0.24 2.77 0.18 3.55 0.00 0.13 -4.76 121.76 123.87 1uul s ALA 12 Ca 0.76 1.15 -0.32 0.00 0.00 0.00 0.00 51.96 53.55 1uul s ALA 12 Cb -0.79 -3.49 -0.12 0.00 0.00 0.00 0.00 23.12 18.71 1uul s ALA 12 CO 0.47 -1.16 1.74 -2.30 0.00 0.00 0.00 175.76 174.51 1uul n PRO 13 N -1.07 2.71 -2.52 0.00 -0.02 -1.26 -4.91 135.00 127.93 1uul n PRO 13 Ca 0.11 0.98 -0.41 0.00 -2.02 0.00 0.00 63.50 62.16 1uul n PRO 13 Cb 0.47 -2.83 -0.04 0.00 -0.02 0.00 0.00 33.50 31.08 1uul n PRO 13 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1uul s ASP 14 N 1.56 7.29 0.19 2.55 2.15 -1.26 -5.02 116.67 124.13 1uul s ASP 14 Ca 0.77 2.10 0.06 0.00 0.43 0.00 0.00 52.55 55.91 1uul s ASP 14 Cb -0.52 -2.61 -0.05 0.00 -0.30 0.00 0.00 42.92 39.45 1uul s ASP 14 CO 0.34 -0.19 -0.10 0.72 -0.17 0.00 0.00 175.17 175.78 1uul s PHE 15 N -0.42 1.51 -0.44 -5.34 -0.12 -1.26 -5.01 117.98 106.89 1uul s PHE 15 Ca 0.48 -0.72 0.05 0.00 -0.05 0.00 0.00 56.93 56.70 1uul s PHE 15 Cb -0.29 -0.77 0.19 0.00 -0.63 0.00 0.00 43.02 41.51 1uul s PHE 15 CO 0.36 0.17 0.73 1.21 -0.05 0.00 0.00 175.22 177.64 1uul s ASN 16 N -3.26 -1.33 0.29 1.98 2.47 -1.25 -1.79 114.94 112.05 1uul s ASN 16 Ca 0.21 -1.10 0.04 0.00 0.42 0.00 0.00 52.86 52.44 1uul s ASN 16 Cb 0.02 1.72 -0.06 0.00 -1.45 0.00 0.00 41.25 41.48 1uul s ASN 16 CO 0.05 -0.10 0.03 -1.61 -3.72 0.00 0.00 177.10 171.74 1uul s GLU 17 N 1.40 1.56 0.33 0.43 0.41 -0.84 -4.87 118.70 117.12 1uul s GLU 17 Ca 0.22 -1.84 -0.29 0.00 -0.41 0.00 0.00 54.97 52.66 1uul s GLU 17 Cb -0.01 -0.84 -0.10 0.00 -1.78 0.00 0.00 34.13 31.40 1uul s GLU 17 CO -0.07 -0.13 1.32 0.99 -0.49 0.00 0.00 175.26 176.87 1uul s THR 18 N -3.29 2.69 0.06 3.63 2.01 -1.26 -0.34 115.64 119.13 1uul s THR 18 Ca 0.34 0.69 0.01 0.00 0.31 0.00 0.00 61.69 63.04 1uul s THR 18 Cb 0.07 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 1uul s THR 18 CO 0.13 0.16 -0.06 0.00 -0.69 0.00 0.00 174.62 174.17 1uul s ALA 19 N -1.11 0.59 -0.41 7.40 0.00 0.10 -1.18 121.76 127.15 1uul s ALA 19 Ca 0.49 -0.98 -0.24 0.00 0.00 0.00 0.00 51.96 51.23 1uul s ALA 19 Cb -0.40 0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.88 1uul s ALA 19 CO 0.53 -0.17 0.86 -1.17 0.00 0.00 0.00 175.76 175.81 1uul s LEU 20 N -2.22 4.08 0.49 0.00 2.96 -0.20 -2.24 118.68 121.56 1uul s LEU 20 Ca -0.02 0.24 -0.13 0.00 -0.22 0.00 0.00 54.13 54.00 1uul s LEU 20 Cb -0.02 -3.12 -0.07 0.00 0.50 0.00 0.00 46.19 43.48 1uul s LEU 20 CO -0.03 -0.90 0.91 -0.04 -1.32 0.00 0.00 176.35 174.98 1uul s MET 21 N 3.43 3.84 0.35 1.98 -1.94 -0.36 -1.61 119.30 125.00 1uul s MET 21 Ca 0.34 0.74 0.14 0.00 -1.71 0.00 0.00 55.69 55.21 1uul s MET 21 Cb -0.12 -2.22 1.01 0.00 2.01 0.00 0.00 34.83 35.51 1uul s MET 21 CO 0.21 -0.23 1.73 -1.35 -0.01 0.00 0.00 175.02 175.37 1uul h PRO 22 N 0.85 0.45 0.00 2.03 0.11 -1.78 0.17 132.00 133.83 1uul h PRO 22 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1uul h PRO 22 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1uul h PRO 22 CO 0.62 0.30 0.00 0.27 -0.21 0.00 0.00 178.00 178.98 1uul n ASN 23 N -4.82 0.00 0.00 -2.05 2.04 -1.26 -4.61 115.26 104.56 1uul n ASN 23 Ca 0.28 -0.35 0.00 0.00 -0.44 0.00 0.00 54.58 54.07 1uul n ASN 23 Cb 0.86 -0.15 0.00 0.00 -2.53 0.00 0.00 39.78 37.96 1uul n ASN 23 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1uul n GLY 24 N 0.50 0.79 4.00 4.83 0.00 0.61 -5.09 105.19 110.82 1uul n GLY 24 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.10 2.44 -0.20 2.61 -4.23 -1.26 -4.84 115.64 108.07 1uul s THR 25 Ca 0.00 -0.75 -0.04 0.00 -1.18 0.00 0.00 61.69 59.73 1uul s THR 25 Cb 0.00 -2.69 -0.02 0.00 1.34 0.00 0.00 72.50 71.13 1uul s THR 25 CO 0.00 0.00 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.68 1uul s PHE 26 N -2.82 2.97 0.04 3.99 0.08 -1.26 -1.22 117.98 119.76 1uul s PHE 26 Ca 0.61 -0.69 -0.09 0.00 0.12 0.00 0.00 56.93 56.88 1uul s PHE 26 Cb -0.08 -2.05 0.00 0.00 -0.57 0.00 0.00 43.02 40.32 1uul s PHE 26 CO 0.40 -0.36 0.18 0.21 -0.10 0.00 0.00 175.22 175.54 1uul s LYS 27 N 1.08 0.68 0.10 0.44 2.20 -0.95 -4.95 119.74 118.35 1uul s LYS 27 Ca 0.01 -0.67 -0.30 0.00 -0.36 0.00 0.00 55.97 54.66 1uul s LYS 27 Cb -0.15 0.28 -0.06 0.00 -1.51 0.00 0.00 37.83 36.40 1uul s LYS 27 CO 0.00 -0.20 0.97 0.15 -0.36 0.00 0.00 175.35 175.91 1uul s LYS 28 N -2.64 4.69 -0.10 4.03 -0.14 -1.26 0.02 119.74 124.34 1uul s LYS 28 Ca -0.05 1.45 0.01 0.00 -1.36 0.00 0.00 55.97 56.03 1uul s LYS 28 Cb -0.01 -3.38 -0.02 0.00 -1.68 0.00 0.00 37.83 32.75 1uul s LYS 28 CO -0.04 0.19 -0.15 0.08 -0.76 0.00 0.00 175.35 174.67 1uul s VAL 29 N 0.07 2.92 -0.04 3.17 1.01 0.54 -4.90 120.40 123.17 1uul s VAL 29 Ca 0.47 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.79 1uul s VAL 29 Cb -0.23 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 1uul s VAL 29 CO 0.30 0.55 -0.25 0.00 0.00 0.00 0.00 175.10 175.70 1uul s ALA 30 N 0.05 2.11 0.28 5.51 0.00 -1.26 -1.99 121.76 126.45 1uul s ALA 30 Ca -0.06 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.85 1uul s ALA 30 Cb -0.15 -0.59 0.64 0.00 0.00 0.00 0.00 23.12 23.03 1uul s ALA 30 CO 0.05 0.47 1.68 1.25 0.00 0.00 0.00 175.76 179.21 1uul h LEU 31 N 5.76 0.18 -2.56 0.00 5.85 -1.75 0.30 115.31 123.09 1uul h LEU 31 Ca -0.38 0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.51 1uul h LEU 31 Cb 1.15 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.35 1uul h LEU 31 CO 0.47 -0.04 0.12 0.71 -0.34 0.00 0.00 178.44 179.36 1uul h THR 32 N 0.33 0.15 0.00 1.05 1.35 -1.96 -0.63 112.91 113.21 1uul h THR 32 Ca 0.51 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.37 1uul h THR 32 Cb 0.96 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1uul h THR 32 CO -0.54 0.00 0.00 0.28 -0.25 0.00 0.00 175.52 175.01 1uul h SER 33 N 0.00 0.00 -0.24 5.36 0.02 -1.34 -1.71 113.55 115.64 1uul h SER 33 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1uul h SER 33 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 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 -2.83 0.30 -1.67 3.45 4.02 -0.24 -4.93 117.16 115.26 1uul n TYR 34 Ca -0.01 -0.15 -0.46 0.00 -0.01 0.00 0.00 57.90 57.27 1uul n TYR 34 Cb 0.15 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.43 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 1.13 2.11 0.00 -0.72 4.81 -0.65 -0.77 118.16 124.08 1uul n LYS 35 Ca 0.18 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.38 1uul n LYS 35 Cb 0.53 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 33.06 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 3.34 2.88 3.72 3.14 0.00 -0.77 -5.06 105.19 112.45 1uul n GLY 36 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.43 2.13 0.17 1.61 -0.14 0.05 -4.78 119.74 118.35 1uul s LYS 37 Ca 0.00 -2.10 -0.14 0.00 -1.36 0.00 0.00 55.97 52.37 1uul s LYS 37 Cb 0.00 -1.76 -0.07 0.00 -1.68 0.00 0.00 37.83 34.32 1uul s LYS 37 CO 0.00 -0.20 0.58 -1.58 -0.76 0.00 0.00 175.35 173.39 1uul s TRP 38 N -2.73 3.58 -0.01 3.18 0.52 -0.56 -2.78 118.94 120.15 1uul s TRP 38 Ca 0.29 1.09 0.03 0.00 0.02 0.00 0.00 56.10 57.53 1uul s TRP 38 Cb 0.05 -2.39 -0.00 0.00 -1.15 0.00 0.00 33.47 29.97 1uul s TRP 38 CO 0.16 0.39 -0.10 -1.17 0.02 0.00 0.00 176.95 176.24 1uul s LEU 39 N -2.09 1.95 -0.32 2.99 2.96 -0.16 0.74 118.68 124.75 1uul s LEU 39 Ca 0.40 -0.20 -0.04 0.00 -0.22 0.00 0.00 54.13 54.07 1uul s LEU 39 Cb -0.15 -0.56 0.05 0.00 0.50 0.00 0.00 46.19 46.03 1uul s LEU 39 CO 0.19 0.11 0.05 -0.69 -1.32 0.00 0.00 176.35 174.70 1uul s VAL 40 N -0.11 3.37 -0.26 1.68 1.01 -0.28 -0.43 120.40 125.38 1uul s VAL 40 Ca 0.02 -1.27 -0.10 0.00 0.00 0.00 0.00 61.98 60.62 1uul s VAL 40 Cb -0.06 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 1uul s VAL 40 CO -0.00 -0.15 0.17 -0.22 0.00 0.00 0.00 175.10 174.90 1uul s LEU 41 N 1.32 4.02 -0.02 3.92 2.96 -0.00 -1.15 118.68 129.72 1uul s LEU 41 Ca -0.03 0.03 0.04 0.00 -0.22 0.00 0.00 54.13 53.95 1uul s LEU 41 Cb -0.20 -2.10 -0.00 0.00 0.50 0.00 0.00 46.19 44.39 1uul s LEU 41 CO 0.01 0.01 -0.14 0.72 -1.32 0.00 0.00 176.35 175.63 1uul s PHE 42 N 1.40 1.31 0.07 5.38 -0.71 -0.04 -0.37 117.98 125.02 1uul s PHE 42 Ca 0.07 -0.31 -0.03 0.00 -1.04 0.00 0.00 56.93 55.62 1uul s PHE 42 Cb -0.15 -0.87 -0.05 0.00 -1.21 0.00 0.00 43.02 40.74 1uul s PHE 42 CO 0.07 -0.08 0.27 -0.06 -1.34 0.00 0.00 175.22 174.08 1uul s PHE 43 N -0.09 3.52 0.03 3.49 0.40 0.76 -1.14 117.98 124.95 1uul s PHE 43 Ca 0.01 0.41 -0.00 0.00 -0.60 0.00 0.00 56.93 56.75 1uul s PHE 43 Cb -0.08 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 41.54 1uul s PHE 43 CO 0.00 0.55 -0.03 1.52 0.70 0.00 0.00 175.22 177.96 1uul s TYR 44 N -1.50 0.38 0.01 0.36 -0.85 -0.59 -3.66 117.35 111.50 1uul s TYR 44 Ca 0.35 -0.73 -0.25 0.00 -0.52 0.00 0.00 57.07 55.92 1uul s TYR 44 Cb -0.13 -0.28 -0.18 0.00 0.38 0.00 0.00 41.96 41.76 1uul s TYR 44 CO 0.24 -0.25 1.32 -1.35 -1.52 0.00 0.00 175.55 173.99 1uul h PRO 45 N 4.07 -0.16 -2.51 -3.49 0.11 -1.80 -3.40 132.00 124.83 1uul h PRO 45 Ca -0.33 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.70 1uul h PRO 45 Cb 1.18 0.04 -0.24 0.00 0.11 0.00 0.00 31.00 32.09 1uul h PRO 45 CO 0.50 0.19 -0.15 -1.64 -0.21 0.00 0.00 178.00 176.69 1uul s MET 46 N -4.70 0.55 0.77 1.05 -1.94 -1.26 -4.24 119.30 109.54 1uul s MET 46 Ca -0.15 0.76 -0.12 0.00 -1.71 0.00 0.00 55.69 54.47 1uul s MET 46 Cb 0.02 0.21 0.06 0.00 2.01 0.00 0.00 34.83 37.14 1uul s MET 46 CO 0.62 -0.09 1.14 -0.51 -0.01 0.00 0.00 175.02 176.16 1uul s ASP 47 N 0.61 4.17 -1.61 3.03 1.01 -1.26 -3.40 116.67 119.23 1uul s ASP 47 Ca -0.03 2.07 0.00 0.00 0.71 0.00 0.00 52.55 55.30 1uul s ASP 47 Cb -0.05 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.33 1uul s ASP 47 CO -0.04 -2.26 0.00 0.49 0.21 0.00 0.00 175.17 173.57 1uul n PHE 48 N -3.28 -0.32 -0.16 4.23 3.72 -1.26 -5.00 117.46 115.40 1uul n PHE 48 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1uul n PHE 48 Cb 0.52 -3.05 0.00 0.00 -0.94 0.00 0.00 39.48 36.01 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 -3.13 0.00 0.04 4.37 -2.24 -1.22 -5.13 114.28 106.97 1uul n THR 49 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1uul n THR 49 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 -0.15 -0.27 4.78 3.72 -1.26 -4.60 117.46 119.68 1uul n PHE 50 Ca 0.00 0.03 -0.04 0.00 -0.05 0.00 0.00 57.45 57.38 1uul n PHE 50 Cb 0.00 0.05 0.11 0.00 -0.94 0.00 0.00 39.48 38.70 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 0.00 1.25 -0.55 -4.37 2.07 -1.94 -3.32 116.25 109.39 1uul h VAL 51 Ca 0.00 -0.75 0.11 0.00 0.82 0.00 0.00 66.70 66.89 1uul h VAL 51 Cb 0.00 0.28 -0.10 0.00 -1.52 0.00 0.00 31.29 29.95 1uul h VAL 51 CO 0.00 0.31 -0.07 0.00 0.02 0.00 0.00 177.57 177.83 1uul h PRO 53 N 0.05 0.73 -0.89 0.00 0.11 -1.81 -0.24 132.00 129.95 1uul h PRO 53 Ca 0.28 -0.11 0.06 0.00 0.11 0.00 0.00 66.00 66.34 1uul h PRO 53 Cb 0.43 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 31.35 1uul h PRO 53 CO -0.52 0.61 0.58 1.79 -0.21 0.00 0.00 178.00 180.25 1uul h THR 54 N 0.67 1.07 0.33 -1.15 1.35 -1.61 0.26 112.91 113.84 1uul h THR 54 Ca 0.17 -0.35 -0.02 0.00 -0.55 0.00 0.00 66.41 65.67 1uul h THR 54 Cb 0.12 -0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.50 1uul h THR 54 CO -0.02 0.19 -0.16 -0.33 -0.25 0.00 0.00 175.52 174.95 1uul h GLU 55 N 1.02 -0.43 -0.62 4.72 5.08 -1.04 -2.57 114.58 120.74 1uul h GLU 55 Ca 0.38 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.81 1uul h GLU 55 Cb 0.18 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 1uul h GLU 55 CO -0.14 -0.10 0.35 0.82 -1.00 0.00 0.00 179.01 178.94 1uul h ILE 56 N -0.90 1.01 -0.35 3.13 2.04 -0.79 -1.39 117.51 120.26 1uul h ILE 56 Ca -0.05 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1uul h ILE 56 Cb 0.52 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1uul h ILE 56 CO 0.07 0.12 0.18 0.00 0.00 0.00 0.00 178.15 178.53 1uul h GLN 58 N 0.43 -0.04 -0.86 0.00 1.08 -1.04 0.31 115.11 114.98 1uul h GLN 58 Ca 0.12 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.35 1uul h GLN 58 Cb 0.08 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.47 1uul h GLN 58 CO -0.02 -0.03 0.57 0.74 -0.95 0.00 0.00 178.83 179.15 1uul h PHE 59 N -0.04 1.06 -0.32 2.96 0.04 -0.90 -1.53 116.94 118.21 1uul h PHE 59 Ca 0.14 0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.79 1uul h PHE 59 Cb 0.25 -0.36 -0.00 0.00 2.20 0.00 0.00 35.95 38.04 1uul h PHE 59 CO -0.30 0.64 -0.36 1.03 -0.60 0.00 0.00 178.31 178.73 1uul h SER 60 N 1.12 0.86 -0.11 2.17 0.87 0.03 -2.73 113.55 115.76 1uul h SER 60 Ca 0.33 -0.48 -0.07 0.00 -1.23 0.00 0.00 61.79 60.33 1uul h SER 60 Cb -0.05 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.65 1uul h SER 60 CO -0.09 1.17 -0.15 0.44 -0.53 0.00 0.00 176.83 177.68 1uul h ASP 61 N 0.58 0.47 -0.66 6.23 3.32 0.18 -2.93 116.42 123.61 1uul h ASP 61 Ca 0.05 -0.13 -0.12 0.00 0.02 0.00 0.00 57.03 56.85 1uul h ASP 61 Cb 0.95 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 40.30 1uul h ASP 61 CO 0.09 0.64 0.15 0.54 -1.72 0.00 0.00 179.24 178.94 1uul n ARG 62 N -4.19 4.21 -0.28 3.56 1.74 -0.64 -4.64 116.66 116.42 1uul n ARG 62 Ca 0.00 -3.05 -0.06 0.00 -0.77 0.00 0.00 57.85 53.97 1uul n ARG 62 Cb 0.33 -2.23 -0.02 0.00 -1.02 0.00 0.00 32.46 29.52 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 3.21 0.06 -0.96 1.55 2.07 -1.28 -0.62 116.25 120.28 1uul h VAL 63 Ca 0.15 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.89 1uul h VAL 63 Cb 2.17 0.06 -0.08 0.00 -1.52 0.00 0.00 31.29 31.91 1uul h VAL 63 CO 0.63 0.00 0.62 0.50 0.02 0.00 0.00 177.57 179.34 1uul h LYS 64 N -0.13 0.44 -0.23 1.57 3.64 -1.87 0.38 116.57 120.38 1uul h LYS 64 Ca 0.23 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1uul h LYS 64 Cb 0.55 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1uul h LYS 64 CO -0.81 0.29 0.11 0.93 -2.27 0.00 0.00 179.45 177.71 1uul h GLU 65 N 0.46 0.32 0.18 1.90 5.08 -1.46 0.30 114.58 121.35 1uul h GLU 65 Ca 0.52 -0.03 -0.30 0.00 -1.00 0.00 0.00 59.36 58.55 1uul h GLU 65 Cb 1.23 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 30.43 1uul h GLU 65 CO -0.24 0.25 -1.46 0.74 -1.00 0.00 0.00 179.01 177.31 1uul h PHE 66 N 0.32 0.69 0.00 4.33 0.04 -0.36 -3.36 116.94 118.59 1uul h PHE 66 Ca 0.08 -0.50 -0.07 0.00 2.80 0.00 0.00 57.97 60.28 1uul h PHE 66 Cb 0.04 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 1uul h PHE 66 CO 0.00 1.57 -0.33 0.66 -0.60 0.00 0.00 178.31 179.61 1uul h SER 67 N -0.06 0.00 0.62 2.17 4.64 -0.48 -0.91 113.55 119.52 1uul h SER 67 Ca -0.28 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 1uul h SER 67 Cb 1.96 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.05 1uul h SER 67 CO 0.17 0.33 -0.03 0.44 -0.87 0.00 0.00 176.83 176.86 1uul h ASP 68 N 0.00 0.00 -0.23 4.97 3.32 -0.57 -2.53 116.42 121.38 1uul h ASP 68 Ca -0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 1uul h ASP 68 Cb 0.88 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.38 1uul h ASP 68 CO 0.04 0.03 -0.12 2.30 -1.72 0.00 0.00 179.24 179.78 1uul n ILE 69 N -3.20 2.36 -1.86 0.35 -5.35 -0.86 -4.96 119.36 105.84 1uul n ILE 69 Ca -0.01 -2.59 -0.05 0.00 -0.27 0.00 0.00 62.75 59.83 1uul n ILE 69 Cb 0.24 -0.29 -0.01 0.00 -1.74 0.00 0.00 39.64 37.84 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 -1.04 0.31 3.12 3.28 0.00 -0.95 -4.94 105.19 104.97 1uul n GLY 70 Ca 0.26 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 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 0.52 3.46 0.02 0.00 0.41 0.23 -2.73 118.70 120.61 1uul s GLU 72 Ca -0.16 -0.57 0.06 0.00 -0.41 0.00 0.00 54.97 53.88 1uul s GLU 72 Cb -0.17 -2.79 -0.02 0.00 -1.78 0.00 0.00 34.13 29.37 1uul s GLU 72 CO 0.06 0.31 -0.17 0.14 -0.49 0.00 0.00 175.26 175.12 1uul s VAL 73 N -2.12 1.32 -0.07 2.63 -7.23 -1.26 -1.12 120.40 112.55 1uul s VAL 73 Ca 0.37 -0.93 -0.03 0.00 -1.81 0.00 0.00 61.98 59.58 1uul s VAL 73 Cb -0.09 -1.14 0.04 0.00 0.56 0.00 0.00 36.38 35.75 1uul s VAL 73 CO 0.32 0.20 0.15 -0.22 -0.31 0.00 0.00 175.10 175.24 1uul s LEU 74 N -0.84 0.35 0.39 1.32 2.96 -0.30 -4.49 118.68 118.07 1uul s LEU 74 Ca 0.05 0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.27 1uul s LEU 74 Cb -0.07 0.31 -0.02 0.00 0.50 0.00 0.00 46.19 46.91 1uul s LEU 74 CO 0.01 -0.19 0.60 0.00 -1.32 0.00 0.00 176.35 175.44 1uul s ALA 75 N 1.69 3.73 -0.23 5.97 0.00 -1.04 -0.87 121.76 131.02 1uul s ALA 75 Ca -0.03 -0.97 -0.26 0.00 0.00 0.00 0.00 51.96 50.69 1uul s ALA 75 Cb -0.12 -2.12 0.07 0.00 0.00 0.00 0.00 23.12 20.95 1uul s ALA 75 CO -0.06 -0.16 0.72 0.00 0.00 0.00 0.00 175.76 176.26 1uul s SER 77 N 0.08 -0.15 0.45 0.00 0.15 -1.09 -1.54 113.70 111.60 1uul s SER 77 Ca -0.02 -0.79 0.24 0.00 0.70 0.00 0.00 55.95 56.08 1uul s SER 77 Cb -0.04 0.70 0.99 0.00 -1.71 0.00 0.00 66.02 65.96 1uul s SER 77 CO 0.03 -1.33 1.86 -0.03 1.20 0.00 0.00 173.24 174.97 1uul h MET 78 N 2.07 0.00 -7.34 5.44 4.05 -1.78 0.20 114.93 117.57 1uul h MET 78 Ca -0.23 0.00 -0.50 0.00 -0.28 0.00 0.00 59.70 58.69 1uul h MET 78 Cb 1.25 0.00 0.13 0.00 -0.80 0.00 0.00 31.60 32.18 1uul h MET 78 CO 0.29 0.23 0.31 -0.51 0.23 0.00 0.00 176.91 177.46 1uul s ASP 79 N -6.24 4.32 0.81 1.39 1.01 -1.26 -4.12 116.67 112.57 1uul s ASP 79 Ca -0.00 1.58 -0.12 0.00 0.71 0.00 0.00 52.55 54.72 1uul s ASP 79 Cb 0.11 -2.31 0.08 0.00 1.01 0.00 0.00 42.92 41.81 1uul s ASP 79 CO 0.64 -2.11 1.12 -0.94 0.21 0.00 0.00 175.17 174.09 1uul s SER 80 N -3.57 4.45 0.25 0.27 1.04 -1.26 -4.18 113.70 110.69 1uul s SER 80 Ca 0.61 1.07 -0.05 0.00 0.48 0.00 0.00 55.95 58.06 1uul s SER 80 Cb -0.16 -1.73 0.30 0.00 0.10 0.00 0.00 66.02 64.52 1uul s SER 80 CO 0.56 -1.97 1.90 -0.33 0.98 0.00 0.00 173.24 174.38 1uul h GLU 81 N -1.09 1.19 -0.34 4.02 5.08 -1.93 -1.07 114.58 120.44 1uul h GLU 81 Ca -0.47 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 57.68 1uul h GLU 81 Cb 1.29 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1uul h GLU 81 CO 0.62 0.79 -0.35 1.88 -1.00 0.00 0.00 179.01 180.95 1uul h TYR 82 N 1.23 0.91 0.02 4.33 -1.99 -1.98 0.64 116.97 120.13 1uul h TYR 82 Ca 0.38 -0.25 0.02 0.00 2.00 0.00 0.00 58.73 60.87 1uul h TYR 82 Cb -0.02 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 38.48 1uul h TYR 82 CO -0.01 1.01 -0.13 1.03 -0.00 0.00 0.00 178.16 180.07 1uul h SER 83 N 0.64 -0.36 -0.31 3.88 0.87 -1.77 0.14 113.55 116.64 1uul h SER 83 Ca 0.06 0.05 0.07 0.00 -1.23 0.00 0.00 61.79 60.74 1uul h SER 83 Cb 0.90 0.15 -0.07 0.00 -0.44 0.00 0.00 62.40 62.93 1uul h SER 83 CO 0.08 -0.18 -0.17 0.45 -0.53 0.00 0.00 176.83 176.48 1uul h HIS 84 N -0.22 -0.42 -0.05 2.24 3.86 -0.76 -0.86 115.15 118.94 1uul h HIS 84 Ca 0.04 0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.31 1uul h HIS 84 Cb 0.27 0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.94 1uul h HIS 84 CO -0.17 -0.24 -0.15 1.25 0.86 0.00 0.00 177.93 179.47 1uul h LEU 85 N -0.13 -0.46 -0.44 2.43 5.85 -0.51 -0.18 115.31 121.89 1uul h LEU 85 Ca 0.16 0.07 0.09 0.00 0.84 0.00 0.00 57.88 59.04 1uul h LEU 85 Cb 0.37 0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.51 1uul h LEU 85 CO -0.39 -0.21 -0.28 0.00 -0.34 0.00 0.00 178.44 177.22 1uul h ALA 86 N 0.75 -0.05 -0.47 1.25 0.00 -0.14 0.50 119.26 121.11 1uul h ALA 86 Ca 0.07 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1uul h ALA 86 Cb 0.32 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1uul h ALA 86 CO -0.18 -0.66 0.31 2.35 0.00 0.00 0.00 179.25 181.07 1uul h TRP 87 N -0.19 0.55 0.00 0.00 7.01 -0.37 0.11 115.95 123.05 1uul h TRP 87 Ca 0.20 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.19 1uul h TRP 87 Cb 0.51 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.38 1uul h TRP 87 CO -0.52 0.33 -0.07 0.00 -2.79 0.00 0.00 178.44 175.39 1uul h THR 88 N 0.58 0.22 -0.00 2.65 1.03 0.88 -2.57 112.91 115.69 1uul h THR 88 Ca 0.18 -0.65 0.00 0.00 -0.01 0.00 0.00 66.41 65.94 1uul h THR 88 Cb 0.01 1.53 0.00 0.00 -1.07 0.00 0.00 68.15 68.62 1uul h THR 88 CO -0.04 0.07 -0.31 -1.20 -0.01 0.00 0.00 175.52 174.03 1uul n SER 89 N -3.23 0.73 -4.90 0.00 7.64 0.37 -2.94 113.62 111.28 1uul n SER 89 Ca -0.00 -0.57 -0.32 0.00 1.01 0.00 0.00 58.87 58.99 1uul n SER 89 Cb 0.32 0.12 -0.05 0.00 -1.01 0.00 0.00 64.21 63.59 1uul n SER 89 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1uul s ILE 90 N -2.69 5.29 0.26 0.44 1.01 -1.02 -4.95 121.20 119.54 1uul s ILE 90 Ca 0.20 -0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.49 1uul s ILE 90 Cb 0.19 -3.60 -0.09 0.00 0.01 0.00 0.00 42.46 38.96 1uul s ILE 90 CO 0.58 0.19 1.11 -1.61 0.00 0.00 0.00 174.94 175.21 1uul s GLU 91 N -2.29 4.62 0.31 2.79 2.02 -1.26 -2.29 118.70 122.60 1uul s GLU 91 Ca 0.34 1.81 0.04 0.00 0.02 0.00 0.00 54.97 57.18 1uul s GLU 91 Cb -0.13 -3.20 0.79 0.00 0.10 0.00 0.00 34.13 31.69 1uul s GLU 91 CO 0.23 0.16 1.60 0.00 0.02 0.00 0.00 175.26 177.27 1uul h ARG 92 N 4.09 0.07 0.00 1.61 3.08 -1.84 0.57 114.38 121.96 1uul h ARG 92 Ca -0.46 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1uul h ARG 92 Cb 1.21 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1uul h ARG 92 CO 0.68 0.05 0.00 0.36 -1.07 0.00 0.00 179.97 179.99 1uul n LYS 93 N -5.37 0.00 -0.24 0.04 2.85 -1.26 -0.68 118.16 113.50 1uul n LYS 93 Ca 0.24 0.44 0.08 0.00 -1.05 0.00 0.00 58.31 58.01 1uul n LYS 93 Cb 0.78 -1.50 0.18 0.00 -0.65 0.00 0.00 35.03 33.84 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 -1.49 2.33 -0.49 -1.58 1.74 0.19 -4.93 116.66 112.42 1uul n ARG 94 Ca 0.01 -2.53 0.00 0.00 -0.77 0.00 0.00 57.85 54.56 1uul n ARG 94 Cb 0.04 -1.58 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 -0.73 0.75 2.32 -0.13 0.00 0.15 -4.95 105.19 102.59 1uul n GLY 95 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.33 -0.77 0.09 -0.02 0.00 -0.75 -4.86 105.19 96.55 1uul n GLY 96 Ca 0.00 -1.78 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 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 0.26 0.00 0.99 4.32 -1.00 -3.93 117.00 117.64 1uul n LEU 97 Ca 0.10 -0.01 0.08 0.00 -0.02 0.00 0.00 56.01 56.16 1uul n LEU 97 Cb 0.35 0.33 -0.02 0.00 -1.62 0.00 0.00 43.42 42.46 1uul n LEU 97 CO 0.25 0.48 -0.11 0.61 -1.22 0.00 0.00 177.39 177.41 1uul n GLY 98 N 1.94 -1.64 3.62 -0.72 0.00 -0.97 -4.68 105.19 102.73 1uul n GLY 98 Ca -0.30 -1.18 -0.46 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.51 1.52 -4.27 1.61 6.02 -1.26 -4.73 117.38 113.77 1uul n GLN 99 Ca 0.00 0.54 -0.30 0.00 -0.01 0.00 0.00 57.00 57.23 1uul n GLN 99 Cb 0.26 -2.04 -0.09 0.00 1.02 0.00 0.00 30.24 29.38 1uul n GLN 99 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1uul s MET 100 N -0.88 2.35 0.00 -1.09 -1.94 -1.26 -5.01 119.30 111.46 1uul s MET 100 Ca 0.66 -0.90 0.15 0.00 -1.71 0.00 0.00 55.69 53.89 1uul s MET 100 Cb -0.73 -2.42 0.30 0.00 2.01 0.00 0.00 34.83 33.99 1uul s MET 100 CO 0.55 0.54 1.20 0.09 -0.01 0.00 0.00 175.02 177.39 1uul n ASN 101 N 0.89 2.87 -4.17 3.03 3.02 -1.26 -4.47 115.26 115.18 1uul n ASN 101 Ca -0.13 -1.86 -0.18 0.00 -0.03 0.00 0.00 54.58 52.39 1uul n ASN 101 Cb 0.52 -0.19 -0.12 0.00 -0.61 0.00 0.00 39.78 39.38 1uul n ASN 101 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1uul s ILE 102 N -1.10 1.07 0.62 2.41 -4.36 -1.26 -4.86 121.20 113.71 1uul s ILE 102 Ca 0.26 -1.33 -0.14 0.00 -0.26 0.00 0.00 60.65 59.19 1uul s ILE 102 Cb 0.15 -1.07 -0.03 0.00 1.25 0.00 0.00 42.46 42.76 1uul s ILE 102 CO 0.20 -0.27 1.05 -2.16 0.24 0.00 0.00 174.94 174.01 1uul s PRO 103 N -1.83 3.29 -0.19 0.37 0.05 -1.26 -4.30 135.00 131.13 1uul s PRO 103 Ca -0.02 1.07 -0.01 0.00 0.05 0.00 0.00 61.00 62.09 1uul s PRO 103 Cb -0.09 -2.03 0.05 0.00 0.05 0.00 0.00 34.50 32.47 1uul s PRO 103 CO 0.02 -0.82 -0.04 0.42 0.05 0.00 0.00 177.00 176.63 1uul s ILE 104 N -2.71 1.10 0.53 0.56 1.01 -0.63 -2.50 121.20 118.56 1uul s ILE 104 Ca 0.61 -0.76 -0.21 0.00 0.00 0.00 0.00 60.65 60.29 1uul s ILE 104 Cb -0.14 -1.36 -0.05 0.00 0.01 0.00 0.00 42.46 40.92 1uul s ILE 104 CO 0.43 0.01 1.22 -0.76 0.00 0.00 0.00 174.94 175.85 1uul s LEU 105 N 1.62 3.83 -0.62 2.97 1.43 -0.25 -1.03 118.68 126.62 1uul s LEU 105 Ca -0.01 2.43 -0.02 0.00 -1.03 0.00 0.00 54.13 55.50 1uul s LEU 105 Cb -0.16 -4.41 0.16 0.00 0.03 0.00 0.00 46.19 41.81 1uul s LEU 105 CO -0.07 -1.34 0.43 0.00 0.23 0.00 0.00 176.35 175.60 1uul s ALA 106 N -1.52 3.57 -1.21 4.21 0.00 -0.33 -2.65 121.76 123.82 1uul s ALA 106 Ca 0.71 -3.28 -0.11 0.00 0.00 0.00 0.00 51.96 49.28 1uul s ALA 106 Cb -0.32 -2.62 0.20 0.00 0.00 0.00 0.00 23.12 20.38 1uul s ALA 106 CO 0.36 -2.10 1.52 -0.40 0.00 0.00 0.00 175.76 175.14 1uul n ASP 107 N 3.41 5.32 0.16 0.00 5.75 0.06 -4.63 116.55 126.62 1uul n ASP 107 Ca 0.08 -3.05 0.14 0.00 -0.01 0.00 0.00 54.79 51.94 1uul n ASP 107 Cb 0.37 -1.50 0.70 0.00 -1.03 0.00 0.00 41.12 39.66 1uul n ASP 107 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1uul h LYS 108 N 6.56 0.00 0.00 0.11 1.57 -1.80 0.18 116.57 123.19 1uul h LYS 108 Ca 0.31 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.02 1uul h LYS 108 Cb 0.79 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1uul h LYS 108 CO 1.32 0.00 -0.36 1.79 -0.57 0.00 0.00 179.45 181.64 1uul h THR 109 N 0.00 0.54 -0.15 -0.16 1.35 -1.90 -3.47 112.91 109.11 1uul h THR 109 Ca 0.10 -1.77 -0.07 0.00 -0.55 0.00 0.00 66.41 64.13 1uul h THR 109 Cb 0.44 2.25 -0.03 0.00 -1.73 0.00 0.00 68.15 69.08 1uul h THR 109 CO -0.00 0.31 -0.06 0.29 -0.25 0.00 0.00 175.52 175.81 1uul n LYS 110 N -3.16 -0.77 -0.18 4.72 5.02 0.63 -4.92 118.16 119.49 1uul n LYS 110 Ca 0.02 0.43 -0.07 0.00 -2.02 0.00 0.00 58.31 56.68 1uul n LYS 110 Cb 0.66 -4.15 0.09 0.00 -0.02 0.00 0.00 35.03 31.61 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 0.90 0.75 -0.38 0.00 2.04 -1.91 -0.01 117.51 118.90 1uul h ILE 112 Ca 0.17 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1uul h ILE 112 Cb 0.48 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1uul h ILE 112 CO 0.02 0.08 0.25 0.00 0.00 0.00 0.00 178.15 178.50 1uul h MET 113 N -0.59 0.50 -0.61 2.37 -0.00 -1.92 -0.15 114.93 114.51 1uul h MET 113 Ca -0.04 -0.03 -0.00 0.00 -0.00 0.00 0.00 59.70 59.63 1uul h MET 113 Cb 0.43 -0.11 -0.03 0.00 -0.00 0.00 0.00 31.60 31.89 1uul h MET 113 CO 0.07 0.33 0.38 0.87 -0.00 0.00 0.00 176.91 178.55 1uul h LYS 114 N 0.51 0.83 -0.74 -0.10 1.57 -1.00 -1.51 116.57 116.14 1uul h LYS 114 Ca 0.14 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 1uul h LYS 114 Cb -0.06 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.03 1uul h LYS 114 CO -0.03 0.58 0.45 0.77 -0.57 0.00 0.00 179.45 180.66 1uul h SER 115 N 0.83 0.71 -0.07 0.86 0.02 0.80 -2.02 113.55 114.69 1uul h SER 115 Ca 0.22 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1uul h SER 115 Cb -0.04 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.37 1uul h SER 115 CO -0.04 0.47 0.00 -1.22 -1.14 0.00 0.00 176.83 174.90 1uul n TYR 116 N -4.68 0.08 -2.43 3.45 4.02 -0.69 -2.35 117.16 114.55 1uul n TYR 116 Ca 0.09 -0.04 -0.13 0.00 -0.01 0.00 0.00 57.90 57.81 1uul n TYR 116 Cb 0.14 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.46 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 1.07 -0.12 0.23 2.72 0.00 -0.62 -4.77 105.19 103.70 1uul n GLY 117 Ca 0.18 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.02 1.74 -2.94 1.61 0.24 -0.88 -4.71 118.33 109.37 1uul n VAL 118 Ca -0.12 -2.22 -0.40 0.00 -2.04 0.00 0.00 64.34 59.56 1uul n VAL 118 Cb 0.60 -0.15 -0.05 0.00 -1.47 0.00 0.00 33.84 32.77 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 -2.64 4.45 -0.53 1.34 0.20 -1.25 -0.16 118.68 120.09 1uul s LEU 119 Ca 0.30 1.49 -0.17 0.00 0.69 0.00 0.00 54.13 56.44 1uul s LEU 119 Cb 0.27 -3.28 0.11 0.00 -0.43 0.00 0.00 46.19 42.86 1uul s LEU 119 CO 0.01 -0.01 0.53 -1.59 -0.29 0.00 0.00 176.35 175.00 1uul s LYS 120 N 0.04 3.01 0.41 1.98 -2.85 0.56 -4.88 119.74 118.00 1uul s LYS 120 Ca 0.40 -1.47 0.17 0.00 -1.00 0.00 0.00 55.97 54.07 1uul s LYS 120 Cb -0.21 -4.24 1.06 0.00 -2.06 0.00 0.00 37.83 32.39 1uul s LYS 120 CO 0.24 -1.30 1.83 0.93 0.10 0.00 0.00 175.35 177.15 1uul h GLU 121 N 8.94 0.42 0.00 1.78 5.08 -1.95 -0.03 114.58 128.81 1uul h GLU 121 Ca -0.29 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 1uul h GLU 121 Cb 1.10 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1uul h GLU 121 CO 1.01 0.28 -0.18 1.05 -1.00 0.00 0.00 179.01 180.17 1uul h GLU 122 N 0.43 0.00 0.00 2.33 9.09 -1.96 -3.31 114.58 121.17 1uul h GLU 122 Ca 0.51 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.92 1uul h GLU 122 Cb 1.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.33 1uul h GLU 122 CO -0.21 0.18 -1.06 -0.25 0.05 0.00 0.00 179.01 177.72 1uul n ASP 123 N -3.88 3.51 0.00 3.06 8.00 -0.19 -5.02 116.55 122.04 1uul n ASP 123 Ca -0.02 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1uul n ASP 123 Cb 0.27 1.17 0.00 0.00 -0.02 0.00 0.00 41.12 42.54 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 2.10 0.62 3.47 0.44 0.00 -0.27 -5.04 105.19 106.51 1uul n GLY 124 Ca -0.01 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 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 1.76 0.11 1.61 -7.23 -1.24 -4.88 120.40 108.53 1uul s VAL 125 Ca 0.00 -2.12 -0.18 0.00 -1.81 0.00 0.00 61.98 57.86 1uul s VAL 125 Cb 0.00 -2.56 -0.07 0.00 0.56 0.00 0.00 36.38 34.31 1uul s VAL 125 CO 0.00 -0.23 0.59 0.00 -0.31 0.00 0.00 175.10 175.15 1uul s ALA 126 N -2.93 3.56 0.90 1.32 0.00 -1.26 -0.32 121.76 123.02 1uul s ALA 126 Ca 0.31 0.03 -0.12 0.00 0.00 0.00 0.00 51.96 52.18 1uul s ALA 126 Cb 0.04 -2.65 0.13 0.00 0.00 0.00 0.00 23.12 20.64 1uul s ALA 126 CO 0.14 0.40 1.11 0.71 0.00 0.00 0.00 175.76 178.11 1uul s TYR 127 N -1.25 2.47 -1.05 0.00 1.51 0.77 -2.82 117.35 116.99 1uul s TYR 127 Ca 0.33 1.05 -0.19 0.00 -1.01 0.00 0.00 57.07 57.25 1uul s TYR 127 Cb -0.18 -3.24 -0.08 0.00 -0.11 0.00 0.00 41.96 38.35 1uul s TYR 127 CO 0.20 -2.32 2.02 0.54 -1.11 0.00 0.00 175.55 174.88 1uul n ARG 128 N -3.79 2.04 -3.18 -0.62 1.74 -0.98 -4.40 116.66 107.48 1uul n ARG 128 Ca 0.06 -2.20 -0.38 0.00 -0.77 0.00 0.00 57.85 54.57 1uul n ARG 128 Cb 0.57 -3.12 -0.06 0.00 -1.02 0.00 0.00 32.46 28.83 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 4.45 2.67 -0.01 -0.13 0.00 -1.24 -1.56 107.32 111.51 1uul s GLY 129 Ca 0.54 0.11 0.00 0.00 0.00 0.00 0.00 44.72 45.38 1uul s GLY 129 CO 0.05 0.51 -0.01 -2.27 0.00 0.00 0.00 173.10 171.38 1uul s LEU 130 N -1.49 1.63 -0.01 0.66 0.20 0.23 -0.17 118.68 119.73 1uul s LEU 130 Ca 0.36 -0.02 0.03 0.00 0.69 0.00 0.00 54.13 55.19 1uul s LEU 130 Cb -0.19 -0.12 -0.01 0.00 -0.43 0.00 0.00 46.19 45.44 1uul s LEU 130 CO 0.21 -0.04 -0.11 -0.36 -0.29 0.00 0.00 176.35 175.76 1uul s PHE 131 N 0.42 0.98 -0.30 5.38 0.40 0.51 -0.66 117.98 124.71 1uul s PHE 131 Ca -0.04 -0.19 -0.07 0.00 -0.60 0.00 0.00 56.93 56.03 1uul s PHE 131 Cb -0.06 -0.63 0.01 0.00 0.51 0.00 0.00 43.02 42.85 1uul s PHE 131 CO -0.01 -0.02 0.08 0.42 0.70 0.00 0.00 175.22 176.40 1uul s ILE 132 N -0.28 3.97 -0.15 0.64 1.01 -0.88 -0.82 121.20 124.69 1uul s ILE 132 Ca 0.04 -0.71 -0.09 0.00 0.00 0.00 0.00 60.65 59.89 1uul s ILE 132 Cb -0.04 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 1uul s ILE 132 CO -0.00 0.06 0.15 -0.63 0.00 0.00 0.00 174.94 174.52 1uul s ILE 133 N 1.50 5.45 0.61 2.92 -1.09 0.43 -0.94 121.20 130.07 1uul s ILE 133 Ca 0.02 0.23 0.01 0.00 -2.23 0.00 0.00 60.65 58.68 1uul s ILE 133 Cb -0.17 -3.45 0.06 0.00 -1.58 0.00 0.00 42.46 37.32 1uul s ILE 133 CO 0.03 0.54 0.85 1.51 -1.23 0.00 0.00 174.94 176.64 1uul s ASP 134 N -0.43 4.97 0.56 3.58 1.47 -0.44 -0.98 116.67 125.41 1uul s ASP 134 Ca 0.13 -0.12 0.31 0.00 1.18 0.00 0.00 52.55 54.05 1uul s ASP 134 Cb -0.12 -0.60 1.45 0.00 -0.34 0.00 0.00 42.92 43.32 1uul s ASP 134 CO 0.02 -1.38 1.84 -0.65 0.68 0.00 0.00 175.17 175.67 1uul h PRO 135 N -0.14 0.00 -0.51 2.11 0.11 -1.82 0.79 132.00 132.55 1uul h PRO 135 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1uul h PRO 135 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1uul h PRO 135 CO 0.49 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.91 1uul n LYS 136 N -3.96 2.25 -2.05 1.05 5.02 -1.26 -1.84 118.16 117.38 1uul n LYS 136 Ca 0.16 -1.77 -0.13 0.00 -2.02 0.00 0.00 58.31 54.55 1uul n LYS 136 Cb 0.93 -1.43 -0.02 0.00 -0.02 0.00 0.00 35.03 34.49 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 0.86 -1.00 -3.92 1.97 6.02 0.28 -4.96 117.38 116.63 1uul n GLN 137 Ca 0.16 0.70 -0.31 0.00 -0.01 0.00 0.00 57.00 57.54 1uul n GLN 137 Cb 0.45 -4.88 -0.04 0.00 1.02 0.00 0.00 30.24 26.79 1uul n GLN 137 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1uul s ASN 138 N -2.52 6.36 0.04 1.08 0.01 -1.25 -0.69 114.94 117.97 1uul s ASN 138 Ca 0.00 0.28 -0.30 0.00 -0.71 0.00 0.00 52.86 52.13 1uul s ASN 138 Cb 0.00 -1.97 -0.05 0.00 0.41 0.00 0.00 41.25 39.65 1uul s ASN 138 CO 0.00 0.19 1.09 -0.22 -1.51 0.00 0.00 177.10 176.65 1uul s LEU 139 N -2.40 4.38 0.00 0.60 2.96 -0.54 -1.33 118.68 122.35 1uul s LEU 139 Ca 0.34 1.86 0.00 0.00 -0.22 0.00 0.00 54.13 56.10 1uul s LEU 139 Cb -0.13 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1uul s LEU 139 CO 0.26 -0.35 0.13 0.54 -1.32 0.00 0.00 176.35 175.61 1uul n ARG 140 N 3.79 2.46 -3.67 1.98 1.74 -0.12 0.09 116.66 122.93 1uul n ARG 140 Ca 0.07 -0.13 -0.10 0.00 -0.77 0.00 0.00 57.85 56.92 1uul n ARG 140 Cb 0.48 -0.53 -0.09 0.00 -1.02 0.00 0.00 32.46 31.31 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 -0.39 0.57 -0.04 5.56 -0.44 -1.21 -4.96 119.66 118.74 1uul s GLN 141 Ca 0.00 0.93 0.06 0.00 -2.50 0.00 0.00 55.36 53.85 1uul s GLN 141 Cb 0.00 0.12 -0.01 0.00 -1.64 0.00 0.00 33.01 31.48 1uul s GLN 141 CO 0.00 -0.13 -0.22 0.42 0.50 0.00 0.00 175.29 175.85 1uul s ILE 142 N 1.19 1.82 -0.11 -2.34 1.01 -1.26 -2.07 121.20 119.44 1uul s ILE 142 Ca -0.07 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.59 1uul s ILE 142 Cb -0.06 -1.54 0.06 0.00 0.01 0.00 0.00 42.46 40.93 1uul s ILE 142 CO -0.12 0.51 0.19 -0.89 0.00 0.00 0.00 174.94 174.64 1uul s THR 143 N -0.24 -0.31 -0.10 2.92 2.01 0.16 -5.00 115.64 115.09 1uul s THR 143 Ca 0.00 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.30 1uul s THR 143 Cb -0.12 -0.37 0.02 0.00 0.01 0.00 0.00 72.50 72.05 1uul s THR 143 CO 0.02 0.11 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.28 1uul s VAL 144 N 2.33 1.04 -0.06 3.82 1.01 -1.26 0.77 120.40 128.06 1uul s VAL 144 Ca 0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 1uul s VAL 144 Cb -0.12 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1uul s VAL 144 CO -0.07 0.36 0.07 0.20 0.00 0.00 0.00 175.10 175.66 1uul s ASN 145 N 1.46 5.71 0.86 3.32 0.02 -0.60 -4.97 114.94 120.75 1uul s ASN 145 Ca 0.00 0.22 -0.11 0.00 -1.02 0.00 0.00 52.86 51.95 1uul s ASN 145 Cb -0.13 -1.69 0.11 0.00 0.02 0.00 0.00 41.25 39.56 1uul s ASN 145 CO -0.05 0.34 1.16 -0.62 0.02 0.00 0.00 177.10 177.94 1uul s ASP 146 N -1.32 3.34 0.28 -1.22 2.15 -1.26 -2.31 116.67 116.34 1uul s ASP 146 Ca 0.18 2.21 0.02 0.00 0.43 0.00 0.00 52.55 55.39 1uul s ASP 146 Cb -0.12 -2.57 0.64 0.00 -0.30 0.00 0.00 42.92 40.58 1uul s ASP 146 CO 0.08 -2.83 1.75 -0.07 -0.17 0.00 0.00 175.17 173.93 1uul h LEU 147 N -1.44 0.55 -1.48 -1.34 3.38 -1.97 -2.95 115.31 110.06 1uul h LEU 147 Ca -0.44 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1uul h LEU 147 Cb 1.27 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1uul h LEU 147 CO 0.44 0.18 0.00 -0.65 0.09 0.00 0.00 178.44 178.50 1uul h PRO 148 N 0.60 0.00 -5.26 1.13 0.11 -2.04 -3.44 132.00 123.11 1uul h PRO 148 Ca 0.52 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.99 1uul h PRO 148 Cb 0.83 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 31.71 1uul h PRO 148 CO -0.41 0.00 -0.70 0.08 -0.21 0.00 0.00 178.00 176.76 1uul s VAL 149 N -3.67 3.58 0.67 3.15 1.01 -1.12 -5.00 120.40 119.03 1uul s VAL 149 Ca 0.01 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 1uul s VAL 149 Cb 0.09 -2.56 0.03 0.00 0.00 0.00 0.00 36.38 33.95 1uul s VAL 149 CO 0.53 0.49 1.01 -0.83 0.00 0.00 0.00 175.10 176.30 1uul s GLY 150 N 0.51 1.63 0.74 4.51 0.00 -1.26 -4.74 107.32 108.72 1uul s GLY 150 Ca -0.05 -0.68 -0.04 0.00 0.00 0.00 0.00 44.72 43.95 1uul s GLY 150 CO 0.03 -0.32 1.03 0.50 0.00 0.00 0.00 173.10 174.34 1uul s ARG 151 N -5.21 1.63 -0.25 2.90 0.52 -1.26 -5.09 118.95 112.19 1uul s ARG 151 Ca 0.58 -0.89 0.02 0.00 -0.52 0.00 0.00 55.73 54.91 1uul s ARG 151 Cb -0.11 -2.25 0.05 0.00 0.52 0.00 0.00 34.95 33.16 1uul s ARG 151 CO 0.47 -1.53 -0.11 0.34 0.02 0.00 0.00 175.30 174.50 1uul s ASP 152 N -4.72 4.31 0.27 0.23 2.15 -1.26 -4.99 116.67 112.66 1uul s ASP 152 Ca 0.66 -1.25 -0.01 0.00 0.43 0.00 0.00 52.55 52.39 1uul s ASP 152 Cb -0.06 -1.57 0.47 0.00 -0.30 0.00 0.00 42.92 41.47 1uul s ASP 152 CO 0.45 -0.17 1.85 0.58 -0.17 0.00 0.00 175.17 177.72 1uul h VAL 153 N 6.58 1.00 -0.22 1.11 2.07 -1.98 -0.69 116.25 124.11 1uul h VAL 153 Ca -0.24 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1uul h VAL 153 Cb 1.06 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1uul h VAL 153 CO 0.50 0.19 0.09 0.44 0.02 0.00 0.00 177.57 178.82 1uul h ASP 154 N 1.07 0.27 0.08 0.57 3.32 -1.99 -1.63 116.42 118.10 1uul h ASP 154 Ca 0.46 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.37 1uul h ASP 154 Cb 0.33 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1uul h ASP 154 CO -0.22 0.25 -0.43 -0.08 -1.72 0.00 0.00 179.24 177.04 1uul h GLU 155 N 0.31 0.44 -0.49 3.56 4.57 -1.55 0.24 114.58 121.65 1uul h GLU 155 Ca 0.08 -0.23 -0.13 0.00 -1.18 0.00 0.00 59.36 57.90 1uul h GLU 155 Cb 0.06 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1uul h GLU 155 CO -0.01 0.79 -0.20 0.00 -1.18 0.00 0.00 179.01 178.41 1uul h ALA 156 N 1.18 0.70 0.04 2.92 0.00 -1.07 -0.91 119.26 122.12 1uul h ALA 156 Ca 0.03 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1uul h ALA 156 Cb 0.91 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1uul h ALA 156 CO 0.08 0.68 -0.02 1.25 0.00 0.00 0.00 179.25 181.23 1uul h LEU 157 N 0.87 -0.05 -0.60 0.00 6.46 -0.94 -0.21 115.31 120.85 1uul h LEU 157 Ca 0.11 -0.09 0.09 0.00 -0.12 0.00 0.00 57.88 57.87 1uul h LEU 157 Cb 0.78 0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 40.66 1uul h LEU 157 CO 0.06 0.06 0.23 -0.09 -0.62 0.00 0.00 178.44 178.09 1uul h ARG 158 N -0.16 0.41 -0.34 1.25 2.43 -0.37 -1.05 114.38 116.56 1uul h ARG 158 Ca -0.01 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1uul h ARG 158 Cb 0.14 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1uul h ARG 158 CO 0.01 0.27 0.11 -0.07 -1.51 0.00 0.00 179.97 178.78 1uul h LEU 159 N 0.43 0.49 -0.49 3.80 3.38 -0.68 0.49 115.31 122.72 1uul h LEU 159 Ca 0.30 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1uul h LEU 159 Cb 0.34 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1uul h LEU 159 CO -0.28 0.55 0.30 0.58 0.09 0.00 0.00 178.44 179.68 1uul h VAL 160 N 0.39 1.06 -0.51 1.22 2.07 -0.51 -0.35 116.25 119.62 1uul h VAL 160 Ca 0.11 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.45 1uul h VAL 160 Cb 0.24 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1uul h VAL 160 CO -0.00 0.11 0.29 0.11 0.02 0.00 0.00 177.57 178.10 1uul h LYS 161 N 0.60 0.56 -0.76 1.57 1.57 -0.89 0.38 116.57 119.59 1uul h LYS 161 Ca 0.20 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1uul h LYS 161 Cb 0.01 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 1uul h LYS 161 CO -0.09 0.37 0.32 0.00 -0.57 0.00 0.00 179.45 179.49 1uul h ALA 162 N 1.24 1.13 -0.15 3.86 0.00 -0.12 0.95 119.26 126.18 1uul h ALA 162 Ca 0.21 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1uul h ALA 162 Cb 0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1uul h ALA 162 CO -0.11 0.63 -0.45 0.74 0.00 0.00 0.00 179.25 180.07 1uul h PHE 163 N 1.10 0.43 -0.66 0.00 -1.00 -0.55 -0.97 116.94 115.29 1uul h PHE 163 Ca 0.26 -0.13 -0.08 0.00 2.81 0.00 0.00 57.97 60.83 1uul h PHE 163 Cb 0.18 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.62 1uul h PHE 163 CO 0.02 0.74 0.10 1.96 -1.61 0.00 0.00 178.31 179.52 1uul h GLN 164 N 0.29 1.08 -0.67 1.51 4.20 -0.01 -1.84 115.11 119.67 1uul h GLN 164 Ca 0.02 -0.29 -0.08 0.00 0.06 0.00 0.00 58.65 58.36 1uul h GLN 164 Cb 0.90 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 1uul h GLN 164 CO 0.08 0.99 0.11 0.35 -0.67 0.00 0.00 178.83 179.69 1uul h PHE 165 N 1.01 1.19 -0.25 2.96 3.04 -0.31 -2.37 116.94 122.22 1uul h PHE 165 Ca 0.20 -0.17 -0.07 0.00 3.98 0.00 0.00 57.97 61.91 1uul h PHE 165 Cb 0.44 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 38.62 1uul h PHE 165 CO 0.03 1.00 -0.13 0.28 -2.02 0.00 0.00 178.31 177.47 1uul h VAL 166 N 1.04 1.30 0.00 1.41 2.07 -0.85 -2.45 116.25 118.78 1uul h VAL 166 Ca 0.20 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1uul h VAL 166 Cb 0.45 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1uul h VAL 166 CO 0.01 0.38 0.00 -0.62 0.02 0.00 0.00 177.57 177.36 1uul n GLU 167 N -4.47 0.03 -0.06 1.57 4.71 -0.72 -2.19 120.64 119.51 1uul n GLU 167 Ca -0.04 0.26 -0.02 0.00 -0.01 0.00 0.00 57.16 57.35 1uul n GLU 167 Cb 0.36 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 29.15 1uul n GLU 167 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1uul n LYS 168 N -1.46 0.97 0.00 3.49 4.81 -0.92 -4.70 118.16 120.35 1uul n LYS 168 Ca 0.04 -0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1uul n LYS 168 Cb 0.14 -1.44 0.00 0.00 0.02 0.00 0.00 35.03 33.75 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 -2.45 0.00 -0.78 5.64 8.25 -0.96 -4.98 115.22 119.93 1uul n HIS 169 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1uul n HIS 169 Cb 0.84 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.95 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 0.49 0.40 3.93 -1.41 0.00 -0.93 -4.98 105.19 102.69 1uul n GLY 170 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.67 3.51 0.09 1.61 2.02 -1.26 -4.58 118.70 119.42 1uul s GLU 171 Ca 0.00 -0.10 0.04 0.00 0.02 0.00 0.00 54.97 54.93 1uul s GLU 171 Cb 0.00 -2.54 -0.04 0.00 0.10 0.00 0.00 34.13 31.65 1uul s GLU 171 CO 0.00 0.00 0.02 0.08 0.02 0.00 0.00 175.26 175.38 1uul s VAL 172 N -2.49 4.14 -0.34 2.63 1.01 0.98 -4.47 120.40 121.87 1uul s VAL 172 Ca 0.43 -0.95 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 1uul s VAL 172 Cb -0.10 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 1uul s VAL 172 CO 0.40 0.11 0.35 0.00 0.00 0.00 0.00 175.10 175.96 1uul n PRO 174 N 5.36 -4.65 -2.11 0.00 -0.02 -1.26 -4.89 135.00 127.43 1uul n PRO 174 Ca -0.09 -1.34 -0.41 0.00 -2.02 0.00 0.00 63.50 59.64 1uul n PRO 174 Cb 0.49 -1.74 -0.02 0.00 -0.02 0.00 0.00 33.50 32.22 1uul n PRO 174 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uul s ALA 175 N -2.12 3.52 0.00 3.55 0.00 -1.26 -2.94 121.76 122.51 1uul s ALA 175 Ca 0.61 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.83 1uul s ALA 175 Cb -0.11 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1uul s ALA 175 CO 0.51 -0.64 0.00 0.09 0.00 0.00 0.00 175.76 175.72 1uul n ASN 176 N 1.18 -3.34 -4.56 0.00 3.02 -1.26 -4.92 115.26 105.38 1uul n ASN 176 Ca 0.01 0.00 -0.56 0.00 -0.03 0.00 0.00 54.58 54.01 1uul n ASN 176 Cb 0.42 -1.76 -0.07 0.00 -0.61 0.00 0.00 39.78 37.76 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 -2.39 1.15 -4.29 3.10 -0.00 -1.15 -4.99 117.44 108.87 1uul n TRP 177 Ca 0.00 0.83 -0.21 0.00 -0.00 0.00 0.00 57.50 58.12 1uul n TRP 177 Cb 0.18 -2.23 -0.11 0.00 -0.00 0.00 0.00 31.31 29.15 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 0.43 1.16 0.17 5.87 1.02 -1.26 -5.00 119.74 122.13 1uul s LYS 178 Ca 0.88 -1.29 -0.33 0.00 0.02 0.00 0.00 55.97 55.25 1uul s LYS 178 Cb -1.11 -1.21 -0.14 0.00 -0.52 0.00 0.00 37.83 34.85 1uul s LYS 178 CO 0.53 0.25 1.46 -2.30 -0.92 0.00 0.00 175.35 174.37 1uul n PRO 179 N 0.56 1.88 0.00 -1.68 -0.02 -1.26 -1.40 135.00 133.09 1uul n PRO 179 Ca -0.15 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1uul n PRO 179 Cb 0.56 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 2.79 2.53 3.79 -1.23 0.00 -1.26 -5.07 105.19 106.74 1uul n GLY 180 Ca 0.15 0.00 -0.30 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 -1.33 4.58 -0.11 1.61 1.01 -0.49 -4.98 116.67 116.96 1uul s ASP 181 Ca 0.00 1.51 -0.30 0.00 0.71 0.00 0.00 52.55 54.48 1uul s ASP 181 Cb 0.00 -2.28 -0.02 0.00 1.01 0.00 0.00 42.92 41.63 1uul s ASP 181 CO 0.00 -1.94 1.22 -0.75 0.21 0.00 0.00 175.17 173.91 1uul s LYS 182 N -5.04 4.30 0.44 8.23 2.20 -1.26 -4.97 119.74 123.63 1uul s LYS 182 Ca 0.60 1.65 0.08 0.00 -0.36 0.00 0.00 55.97 57.94 1uul s LYS 182 Cb -0.15 -3.65 -0.00 0.00 -1.51 0.00 0.00 37.83 32.51 1uul s LYS 182 CO 0.55 -0.57 0.44 0.95 -0.36 0.00 0.00 175.35 176.36 1uul s THR 183 N 2.81 2.58 0.28 3.43 -4.23 -1.26 -4.65 115.64 114.60 1uul s THR 183 Ca 0.55 -1.28 0.02 0.00 -1.18 0.00 0.00 61.69 59.79 1uul s THR 183 Cb -0.23 -2.86 -0.05 0.00 1.34 0.00 0.00 72.50 70.70 1uul s THR 183 CO 0.18 0.00 0.12 0.00 -0.54 0.00 0.00 174.62 174.38 1uul s MET 184 N -4.21 1.50 -0.14 3.99 0.00 -1.04 -4.95 119.30 114.44 1uul s MET 184 Ca 0.49 -1.83 -0.07 0.00 0.00 0.00 0.00 55.69 54.27 1uul s MET 184 Cb -0.04 -0.25 -0.04 0.00 0.00 0.00 0.00 34.83 34.50 1uul s MET 184 CO 0.29 -0.35 0.11 0.21 0.00 0.00 0.00 175.02 175.28 1uul s LYS 185 N -3.95 3.61 0.00 3.16 2.20 -1.26 -0.02 119.74 123.48 1uul s LYS 185 Ca 0.36 -0.20 -0.02 0.00 -0.36 0.00 0.00 55.97 55.75 1uul s LYS 185 Cb 0.07 -3.20 -0.08 0.00 -1.51 0.00 0.00 37.83 33.11 1uul s LYS 185 CO 0.15 0.62 1.58 -0.35 -0.36 0.00 0.00 175.35 176.99 1uul n PRO 186 N 2.49 0.76 -4.27 4.03 -0.05 -1.26 -4.16 135.00 132.53 1uul n PRO 186 Ca -0.19 -0.31 -0.17 0.00 -0.05 0.00 0.00 63.50 62.78 1uul n PRO 186 Cb 0.54 -1.58 -0.14 0.00 -0.05 0.00 0.00 33.50 32.27 1uul n PRO 186 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 175.50 175.79 1uul s ASP 187 N 2.37 0.94 0.08 3.54 -1.08 -1.26 -5.07 116.67 116.19 1uul s ASP 187 Ca 0.20 -0.19 -0.23 0.00 -0.52 0.00 0.00 52.55 51.81 1uul s ASP 187 Cb 0.10 -0.09 -0.09 0.00 -1.46 0.00 0.00 42.92 41.38 1uul s ASP 187 CO 0.00 0.06 1.38 -0.65 0.52 0.00 0.00 175.17 176.48 1uul h PRO 188 N 5.76 -0.43 0.00 4.34 0.11 -1.99 -1.91 132.00 137.88 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 0.49 -0.29 0.00 0.39 -0.21 0.00 0.00 178.00 178.38 1uul n GLU 189 N -4.52 0.00 0.00 1.05 1.02 -1.26 -2.90 120.64 114.03 1uul n GLU 189 Ca -0.05 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 1uul n GLU 189 Cb 0.27 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1uul n GLU 189 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1uul n LYS 190 N -1.98 0.00 0.00 3.49 4.81 -1.22 0.10 118.16 123.36 1uul n LYS 190 Ca 0.00 0.16 0.11 0.00 -0.87 0.00 0.00 58.31 57.71 1uul n LYS 190 Cb 0.00 -1.73 -0.04 0.00 0.02 0.00 0.00 35.03 33.28 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 -1.10 1.29 0.30 3.14 3.41 -0.72 -4.25 113.62 115.69 1uul n SER 191 Ca 0.00 -1.10 0.17 0.00 -0.26 0.00 0.00 58.87 57.68 1uul n SER 191 Cb 0.23 0.75 0.94 0.00 -0.26 0.00 0.00 64.21 65.88 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 0.80 0.00 0.00 4.33 1.79 0.61 -0.20 116.57 123.90 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 0.58 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1uul h LYS 192 CO 0.00 0.03 0.00 -0.85 -1.08 0.00 0.00 179.45 177.55 1uul n GLU 193 N -3.45 0.78 -0.06 3.15 0.28 -1.26 -2.55 120.64 117.54 1uul n GLU 193 Ca -0.02 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.87 1uul n GLU 193 Cb 0.15 -1.50 -0.15 0.00 1.43 0.00 0.00 31.44 31.37 1uul n GLU 193 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1uul n TYR 194 N -1.10 0.52 0.37 -1.84 9.36 -0.09 -4.24 117.16 120.14 1uul n TYR 194 Ca 0.20 0.17 0.13 0.00 3.32 0.00 0.00 57.90 61.73 1uul n TYR 194 Cb 0.15 -1.09 0.40 0.00 -0.63 0.00 0.00 39.34 38.17 1uul n TYR 194 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1uul h PHE 195 N 0.01 0.00 -0.28 2.98 0.04 -1.47 -3.31 116.94 114.90 1uul h PHE 195 Ca -0.43 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 59.83 1uul h PHE 195 Cb 2.10 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 40.25 1uul h PHE 195 CO 0.01 0.00 1.77 0.41 -0.60 0.00 0.00 178.31 179.90 1uul n GLY 196 N 0.75 1.95 0.00 -1.45 0.00 -1.06 -5.13 105.19 100.25 1uul n GLY 196 Ca 0.03 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1uul n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32