#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 -3.32 1.61 0.28 -1.17 -4.33 120.64 113.71 1uul n GLU 5 Ca 0.00 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.56 1uul n GLU 5 Cb 0.00 -0.62 -0.07 0.00 1.43 0.00 0.00 31.44 32.18 1uul n GLU 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1uul s ALA 6 N -0.09 3.50 0.00 -1.84 0.00 -1.14 -4.69 121.76 117.51 1uul s ALA 6 Ca 0.00 -1.94 0.03 0.00 0.00 0.00 0.00 51.96 50.05 1uul s ALA 6 Cb 0.00 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 1uul s ALA 6 CO 0.00 -1.79 -0.07 -1.21 0.00 0.00 0.00 175.76 172.69 1uul s GLU 7 N 1.97 2.54 0.44 0.00 2.02 -1.26 -5.02 118.70 119.39 1uul s GLU 7 Ca 0.08 -0.73 -0.25 0.00 0.02 0.00 0.00 54.97 54.09 1uul s GLU 7 Cb -0.22 -2.49 -0.08 0.00 0.10 0.00 0.00 34.13 31.43 1uul s GLU 7 CO 0.09 0.60 1.39 -0.51 0.02 0.00 0.00 175.26 176.85 1uul s ASP 8 N -1.41 5.96 -1.19 -0.19 1.01 -1.26 -2.90 116.67 116.69 1uul s ASP 8 Ca 0.17 2.85 0.00 0.00 0.71 0.00 0.00 52.55 56.28 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 0.07 -1.11 0.00 0.18 0.21 0.00 0.00 175.17 174.52 1uul n LEU 9 N -0.14 -1.04 -4.34 1.23 7.99 0.42 -4.96 117.00 116.15 1uul n LEU 9 Ca 0.05 0.21 -0.21 0.00 -0.01 0.00 0.00 56.01 56.05 1uul n LEU 9 Cb 0.42 -1.85 -0.11 0.00 -0.11 0.00 0.00 43.42 41.77 1uul n LEU 9 CO 0.58 -0.49 -0.47 -1.00 -1.51 0.00 0.00 177.39 174.51 1uul s HIS 10 N -2.48 1.79 0.19 -1.77 3.76 -1.14 -4.92 115.29 110.72 1uul s HIS 10 Ca 0.00 -0.50 -0.33 0.00 -0.15 0.00 0.00 55.06 54.08 1uul s HIS 10 Cb 0.00 -0.87 -0.14 0.00 1.11 0.00 0.00 32.58 32.68 1uul s HIS 10 CO 0.00 0.35 1.47 -0.35 -0.85 0.00 0.00 174.74 175.37 1uul n PRO 11 N 0.03 2.00 -2.05 8.40 -0.04 -1.26 -1.48 135.00 140.59 1uul n PRO 11 Ca -0.11 0.72 -0.38 0.00 -0.04 0.00 0.00 63.50 63.69 1uul n PRO 11 Cb 0.58 -2.42 0.01 0.00 -0.04 0.00 0.00 33.50 31.63 1uul n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uul s ALA 12 N 0.40 2.97 0.13 0.55 0.00 -0.07 -4.77 121.76 120.98 1uul s ALA 12 Ca 0.74 1.13 -0.33 0.00 0.00 0.00 0.00 51.96 53.50 1uul s ALA 12 Cb -0.69 -3.47 -0.13 0.00 0.00 0.00 0.00 23.12 18.84 1uul s ALA 12 CO 0.44 -0.94 1.70 -2.30 0.00 0.00 0.00 175.76 174.67 1uul n PRO 13 N -0.56 2.40 -2.54 0.00 -0.02 -1.26 -4.91 135.00 128.11 1uul n PRO 13 Ca 0.08 0.87 -0.41 0.00 -2.02 0.00 0.00 63.50 62.02 1uul n PRO 13 Cb 0.46 -2.69 -0.04 0.00 -0.02 0.00 0.00 33.50 31.21 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 1.79 7.33 0.15 2.55 2.15 -1.26 -5.03 116.67 124.35 1uul s ASP 14 Ca 0.81 2.12 0.04 0.00 0.43 0.00 0.00 52.55 55.95 1uul s ASP 14 Cb -0.61 -2.61 -0.04 0.00 -0.30 0.00 0.00 42.92 39.35 1uul s ASP 14 CO 0.39 -0.13 -0.09 0.72 -0.17 0.00 0.00 175.17 175.88 1uul s PHE 15 N -0.67 1.28 -0.43 -5.34 -0.12 -1.26 -5.01 117.98 106.42 1uul s PHE 15 Ca 0.46 -0.77 0.08 0.00 -0.05 0.00 0.00 56.93 56.65 1uul s PHE 15 Cb -0.30 -0.66 0.18 0.00 -0.63 0.00 0.00 43.02 41.62 1uul s PHE 15 CO 0.36 0.07 0.65 1.21 -0.05 0.00 0.00 175.22 177.47 1uul s ASN 16 N -3.18 -1.52 0.26 1.98 2.47 -1.26 -1.59 114.94 112.11 1uul s ASN 16 Ca 0.18 -1.00 0.04 0.00 0.42 0.00 0.00 52.86 52.50 1uul s ASN 16 Cb 0.03 1.95 -0.06 0.00 -1.45 0.00 0.00 41.25 41.73 1uul s ASN 16 CO 0.01 -0.14 0.00 -1.61 -3.72 0.00 0.00 177.10 171.64 1uul s GLU 17 N 1.63 1.45 0.30 0.43 8.01 -0.89 -4.88 118.70 124.74 1uul s GLU 17 Ca 0.19 -1.75 -0.29 0.00 0.01 0.00 0.00 54.97 53.13 1uul s GLU 17 Cb -0.03 -0.76 -0.10 0.00 -4.31 0.00 0.00 34.13 28.92 1uul s GLU 17 CO -0.07 -0.10 1.43 0.99 0.01 0.00 0.00 175.26 177.53 1uul s THR 18 N -3.33 2.50 0.08 3.63 2.01 -1.26 -0.33 115.64 118.94 1uul s THR 18 Ca 0.31 0.45 0.00 0.00 0.31 0.00 0.00 61.69 62.77 1uul s THR 18 Cb 0.06 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 1uul s THR 18 CO 0.11 0.09 -0.04 0.00 -0.69 0.00 0.00 174.62 174.09 1uul s ALA 19 N -0.52 0.81 -0.31 7.40 0.00 0.14 -1.44 121.76 127.82 1uul s ALA 19 Ca 0.56 -1.31 -0.21 0.00 0.00 0.00 0.00 51.96 50.99 1uul s ALA 19 Cb -0.43 0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.95 1uul s ALA 19 CO 0.50 -0.31 0.69 -1.17 0.00 0.00 0.00 175.76 175.47 1uul s LEU 20 N -3.00 4.14 0.45 0.00 2.96 -0.33 -2.21 118.68 120.68 1uul s LEU 20 Ca 0.11 0.47 -0.14 0.00 -0.22 0.00 0.00 54.13 54.36 1uul s LEU 20 Cb 0.07 -2.90 -0.07 0.00 0.50 0.00 0.00 46.19 43.78 1uul s LEU 20 CO -0.06 -0.54 0.87 -0.04 -1.32 0.00 0.00 176.35 175.25 1uul s MET 21 N 2.75 3.88 0.32 1.98 -1.94 -0.38 -2.15 119.30 123.77 1uul s MET 21 Ca 0.28 0.71 0.09 0.00 -1.71 0.00 0.00 55.69 55.06 1uul s MET 21 Cb -0.15 -2.28 0.94 0.00 2.01 0.00 0.00 34.83 35.36 1uul s MET 21 CO 0.12 -0.13 1.64 -1.35 -0.01 0.00 0.00 175.02 175.29 1uul h PRO 22 N 1.18 0.20 0.00 2.03 0.11 -1.77 0.19 132.00 133.94 1uul h PRO 22 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1uul h PRO 22 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1uul h PRO 22 CO 0.63 0.13 0.00 0.27 -0.21 0.00 0.00 178.00 178.82 1uul n ASN 23 N -5.19 0.00 0.00 -2.05 6.94 -1.26 -4.59 115.26 109.11 1uul n ASN 23 Ca 0.28 -0.25 0.00 0.00 -0.02 0.00 0.00 54.58 54.59 1uul n ASN 23 Cb 0.89 -0.14 0.00 0.00 -2.36 0.00 0.00 39.78 38.16 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 0.13 0.74 3.98 4.83 0.00 0.67 -5.09 105.19 110.45 1uul n GLY 24 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.42 2.12 -0.15 2.61 -4.23 -1.25 -4.83 115.64 107.48 1uul s THR 25 Ca 0.00 -0.49 0.02 0.00 -1.18 0.00 0.00 61.69 60.04 1uul s THR 25 Cb 0.00 -2.62 0.01 0.00 1.34 0.00 0.00 72.50 71.23 1uul s THR 25 CO 0.00 0.00 -0.21 -0.36 -0.54 0.00 0.00 174.62 173.51 1uul s PHE 26 N -3.26 2.70 0.04 3.99 0.08 -1.26 -1.24 117.98 119.03 1uul s PHE 26 Ca 0.67 -1.38 -0.06 0.00 0.12 0.00 0.00 56.93 56.28 1uul s PHE 26 Cb -0.05 -1.84 -0.01 0.00 -0.57 0.00 0.00 43.02 40.55 1uul s PHE 26 CO 0.46 -0.64 0.11 0.21 -0.10 0.00 0.00 175.22 175.25 1uul s LYS 27 N 0.91 0.60 0.10 0.44 2.20 -0.94 -4.95 119.74 118.11 1uul s LYS 27 Ca -0.04 -0.74 -0.30 0.00 -0.36 0.00 0.00 55.97 54.53 1uul s LYS 27 Cb -0.15 0.24 -0.05 0.00 -1.51 0.00 0.00 37.83 36.35 1uul s LYS 27 CO -0.04 -0.15 0.96 0.15 -0.36 0.00 0.00 175.35 175.91 1uul s LYS 28 N -2.61 4.68 -0.08 4.03 -0.14 -1.26 0.23 119.74 124.60 1uul s LYS 28 Ca -0.05 1.45 0.03 0.00 -1.36 0.00 0.00 55.97 56.04 1uul s LYS 28 Cb -0.01 -3.39 -0.02 0.00 -1.68 0.00 0.00 37.83 32.74 1uul s LYS 28 CO -0.05 0.19 -0.17 0.08 -0.76 0.00 0.00 175.35 174.64 1uul s VAL 29 N 0.10 2.79 -0.01 3.17 1.01 0.55 -4.90 120.40 123.11 1uul s VAL 29 Ca 0.47 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.73 1uul s VAL 29 Cb -0.23 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 1uul s VAL 29 CO 0.30 0.56 -0.22 0.00 0.00 0.00 0.00 175.10 175.74 1uul s ALA 30 N -0.24 1.80 0.36 5.51 0.00 -1.26 -2.10 121.76 125.82 1uul s ALA 30 Ca 0.00 -0.94 0.10 0.00 0.00 0.00 0.00 51.96 51.13 1uul s ALA 30 Cb -0.13 -0.45 0.86 0.00 0.00 0.00 0.00 23.12 23.39 1uul s ALA 30 CO 0.03 0.44 1.84 1.25 0.00 0.00 0.00 175.76 179.32 1uul h LEU 31 N 5.57 0.63 -2.40 0.00 5.85 -1.69 -0.25 115.31 123.02 1uul h LEU 31 Ca -0.40 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 1uul h LEU 31 Cb 1.14 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 1uul h LEU 31 CO 0.47 0.28 -0.03 0.71 -0.34 0.00 0.00 178.44 179.54 1uul h THR 32 N 0.65 0.29 0.00 1.05 1.35 -1.96 -1.22 112.91 113.07 1uul h THR 32 Ca 0.48 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 66.14 1uul h THR 32 Cb 0.86 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1uul h THR 32 CO -0.24 0.03 0.00 -1.20 -0.25 0.00 0.00 175.52 173.87 1uul n SER 33 N -3.44 0.44 -0.90 5.36 7.64 -0.10 -1.20 113.62 121.43 1uul n SER 33 Ca -0.02 0.66 0.11 0.00 1.01 0.00 0.00 58.87 60.63 1uul n SER 33 Cb 0.14 -0.74 0.10 0.00 -1.01 0.00 0.00 64.21 62.71 1uul n SER 33 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1uul n TYR 34 N -2.05 0.05 -1.64 1.43 4.02 -0.46 -4.94 117.16 113.57 1uul n TYR 34 Ca 0.00 -0.03 -0.53 0.00 -0.01 0.00 0.00 57.90 57.33 1uul n TYR 34 Cb 0.10 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.36 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 1.24 1.31 0.00 -0.72 4.81 -0.34 -0.14 118.16 124.32 1uul n LYS 35 Ca 0.13 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 1uul n LYS 35 Cb 0.55 -2.16 0.00 0.00 0.02 0.00 0.00 35.03 33.44 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 3.30 3.19 3.79 3.14 0.00 -0.70 -5.06 105.19 112.85 1uul n GLY 36 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.72 2.35 0.19 1.61 -0.14 0.80 -4.76 119.74 119.06 1uul s LYS 37 Ca 0.00 -1.71 -0.08 0.00 -1.36 0.00 0.00 55.97 52.81 1uul s LYS 37 Cb 0.00 -2.14 -0.07 0.00 -1.68 0.00 0.00 37.83 33.95 1uul s LYS 37 CO 0.00 -0.13 0.48 -1.58 -0.76 0.00 0.00 175.35 173.37 1uul s TRP 38 N -2.54 3.46 -0.02 3.18 0.52 -0.35 -2.60 118.94 120.59 1uul s TRP 38 Ca 0.43 0.78 0.02 0.00 0.02 0.00 0.00 56.10 57.35 1uul s TRP 38 Cb 0.01 -2.18 0.00 0.00 -1.15 0.00 0.00 33.47 30.16 1uul s TRP 38 CO 0.24 0.35 -0.07 -1.17 0.02 0.00 0.00 176.95 176.32 1uul s LEU 39 N -2.67 1.77 -0.36 2.99 2.96 0.02 0.34 118.68 123.73 1uul s LEU 39 Ca 0.44 -0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 54.14 1uul s LEU 39 Cb -0.12 -0.44 0.05 0.00 0.50 0.00 0.00 46.19 46.19 1uul s LEU 39 CO 0.22 0.04 0.14 -0.69 -1.32 0.00 0.00 176.35 174.74 1uul s VAL 40 N 0.22 3.81 -0.24 1.68 1.01 0.17 -0.55 120.40 126.50 1uul s VAL 40 Ca -0.03 -1.26 -0.14 0.00 0.00 0.00 0.00 61.98 60.55 1uul s VAL 40 Cb -0.08 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1uul s VAL 40 CO 0.00 -0.28 0.31 -0.22 0.00 0.00 0.00 175.10 174.91 1uul s LEU 41 N 1.38 4.09 -0.03 3.92 2.96 -0.28 -1.03 118.68 129.68 1uul s LEU 41 Ca -0.00 0.27 0.03 0.00 -0.22 0.00 0.00 54.13 54.21 1uul s LEU 41 Cb -0.20 -2.33 0.00 0.00 0.50 0.00 0.00 46.19 44.15 1uul s LEU 41 CO 0.02 -0.08 -0.12 0.72 -1.32 0.00 0.00 176.35 175.58 1uul s PHE 42 N 1.57 1.22 0.13 5.38 -0.71 -0.02 -0.64 117.98 124.90 1uul s PHE 42 Ca 0.13 -0.32 0.03 0.00 -1.04 0.00 0.00 56.93 55.72 1uul s PHE 42 Cb -0.15 -0.85 -0.04 0.00 -1.21 0.00 0.00 43.02 40.78 1uul s PHE 42 CO 0.08 -0.12 0.21 -0.06 -1.34 0.00 0.00 175.22 173.99 1uul s PHE 43 N 0.15 3.39 0.04 3.49 0.40 0.44 -1.14 117.98 124.74 1uul s PHE 43 Ca -0.03 0.11 -0.03 0.00 -0.60 0.00 0.00 56.93 56.38 1uul s PHE 43 Cb -0.10 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.76 1uul s PHE 43 CO 0.01 0.53 0.03 1.52 0.70 0.00 0.00 175.22 178.01 1uul s TYR 44 N -1.65 0.34 -0.00 0.36 -0.85 -0.81 -3.65 117.35 111.09 1uul s TYR 44 Ca 0.33 -0.75 -0.24 0.00 -0.52 0.00 0.00 57.07 55.89 1uul s TYR 44 Cb -0.11 -0.25 -0.16 0.00 0.38 0.00 0.00 41.96 41.82 1uul s TYR 44 CO 0.27 -0.35 1.18 -1.35 -1.52 0.00 0.00 175.55 173.77 1uul h PRO 45 N 3.56 -0.35 -2.80 -3.49 0.11 -1.79 -3.41 132.00 123.82 1uul h PRO 45 Ca -0.33 0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.67 1uul h PRO 45 Cb 1.17 0.08 -0.25 0.00 0.11 0.00 0.00 31.00 32.11 1uul h PRO 45 CO 0.56 -0.02 -0.30 -1.64 -0.21 0.00 0.00 178.00 176.39 1uul s MET 46 N -4.47 0.41 0.82 1.05 -1.94 -1.26 -4.32 119.30 109.59 1uul s MET 46 Ca -0.14 0.59 -0.13 0.00 -1.71 0.00 0.00 55.69 54.30 1uul s MET 46 Cb 0.02 0.13 0.09 0.00 2.01 0.00 0.00 34.83 37.08 1uul s MET 46 CO 0.54 -0.08 1.18 -0.51 -0.01 0.00 0.00 175.02 176.14 1uul s ASP 47 N 0.56 3.58 -1.65 3.03 1.01 -1.26 -3.36 116.67 118.57 1uul s ASP 47 Ca -0.03 2.29 0.00 0.00 0.71 0.00 0.00 52.55 55.52 1uul s ASP 47 Cb -0.05 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.31 1uul s ASP 47 CO -0.03 -2.67 0.00 0.49 0.21 0.00 0.00 175.17 173.17 1uul n PHE 48 N -3.44 -0.43 -0.38 4.23 3.72 -1.26 -5.00 117.46 114.90 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 -3.23 0.00 0.00 -0.94 0.00 0.00 39.48 35.82 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 -3.29 0.00 0.01 4.37 -2.24 -1.21 -5.13 114.28 106.79 1uul n THR 49 Ca -0.19 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1uul n THR 49 Cb 0.61 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.84 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 -0.36 4.78 3.72 -1.26 -4.60 117.46 119.75 1uul n PHE 50 Ca 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 1uul n PHE 50 Cb 0.00 -0.01 0.10 0.00 -0.94 0.00 0.00 39.48 38.63 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 -0.01 1.25 -0.62 -4.37 2.07 -1.95 -3.30 116.25 109.32 1uul h VAL 51 Ca 0.00 -0.50 0.12 0.00 0.82 0.00 0.00 66.70 67.15 1uul h VAL 51 Cb 0.01 -0.12 -0.12 0.00 -1.52 0.00 0.00 31.29 29.54 1uul h VAL 51 CO 0.00 0.25 -0.15 0.00 0.02 0.00 0.00 177.57 177.69 1uul h PRO 53 N 0.00 0.56 -0.80 0.00 0.11 -1.81 0.32 132.00 130.38 1uul h PRO 53 Ca 0.30 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.40 1uul h PRO 53 Cb 0.46 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 31.40 1uul h PRO 53 CO -0.64 0.40 0.53 1.79 -0.21 0.00 0.00 178.00 179.87 1uul h THR 54 N 0.56 1.13 0.25 -1.15 1.35 -1.60 0.37 112.91 113.82 1uul h THR 54 Ca 0.15 -0.34 -0.01 0.00 -0.55 0.00 0.00 66.41 65.66 1uul h THR 54 Cb -0.02 0.06 0.00 0.00 -1.73 0.00 0.00 68.15 66.46 1uul h THR 54 CO -0.03 0.18 -0.12 -0.33 -0.25 0.00 0.00 175.52 174.97 1uul h GLU 55 N 0.98 -0.33 -0.42 4.72 5.08 -1.06 -2.61 114.58 120.94 1uul h GLU 55 Ca 0.32 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.75 1uul h GLU 55 Cb 0.04 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1uul h GLU 55 CO -0.09 0.03 0.16 0.82 -1.00 0.00 0.00 179.01 178.92 1uul h ILE 56 N -0.89 0.88 -0.42 3.13 2.04 -0.63 -1.63 117.51 119.99 1uul h ILE 56 Ca -0.03 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.74 1uul h ILE 56 Cb 0.51 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1uul h ILE 56 CO 0.06 0.06 0.23 0.00 0.00 0.00 0.00 178.15 178.50 1uul h GLN 58 N 0.47 0.08 -0.38 0.00 1.08 -1.10 0.46 115.11 115.72 1uul h GLN 58 Ca 0.17 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.38 1uul h GLN 58 Cb 0.04 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 1uul h GLN 58 CO -0.10 0.06 0.25 0.74 -0.95 0.00 0.00 178.83 178.83 1uul h PHE 59 N 0.09 0.45 -0.19 2.96 0.04 -0.67 -1.03 116.94 118.58 1uul h PHE 59 Ca 0.11 0.01 -0.16 0.00 2.80 0.00 0.00 57.97 60.73 1uul h PHE 59 Cb 0.13 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.13 1uul h PHE 59 CO -0.18 0.28 -0.51 1.03 -0.60 0.00 0.00 178.31 178.32 1uul h SER 60 N 0.48 0.78 -0.03 2.17 0.87 0.13 -2.64 113.55 115.31 1uul h SER 60 Ca 0.15 -0.58 -0.06 0.00 -1.23 0.00 0.00 61.79 60.07 1uul h SER 60 Cb 0.00 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 1uul h SER 60 CO -0.03 1.22 -0.13 0.44 -0.53 0.00 0.00 176.83 177.80 1uul h ASP 61 N 0.37 0.31 -0.48 6.23 3.32 0.74 -3.01 116.42 123.90 1uul h ASP 61 Ca -0.01 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1uul h ASP 61 Cb 1.13 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 1uul h ASP 61 CO 0.11 0.47 0.00 0.54 -1.72 0.00 0.00 179.24 178.64 1uul n ARG 62 N -4.24 4.28 -0.25 3.56 1.74 -0.47 -4.62 116.66 116.65 1uul n ARG 62 Ca -0.00 -3.07 -0.06 0.00 -0.77 0.00 0.00 57.85 53.94 1uul n ARG 62 Cb 0.29 -2.14 -0.01 0.00 -1.02 0.00 0.00 32.46 29.58 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 3.29 0.09 -0.92 1.55 2.07 -1.33 -0.24 116.25 120.77 1uul h VAL 63 Ca 0.00 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.72 1uul h VAL 63 Cb 1.83 0.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.61 1uul h VAL 63 CO 0.41 0.00 0.60 0.11 0.02 0.00 0.00 177.57 178.71 1uul h LYS 64 N -0.15 0.50 -0.59 1.57 6.56 -1.87 0.41 116.57 123.00 1uul h LYS 64 Ca 0.23 -0.03 0.08 0.00 -1.06 0.00 0.00 60.65 59.87 1uul h LYS 64 Cb 0.56 -0.11 -0.04 0.00 -0.57 0.00 0.00 32.23 32.07 1uul h LYS 64 CO -0.76 0.33 0.39 0.93 -2.06 0.00 0.00 179.45 178.28 1uul h GLU 65 N 0.51 0.45 0.17 3.15 5.08 -1.39 0.41 114.58 122.96 1uul h GLU 65 Ca 0.49 -0.03 -0.31 0.00 -1.00 0.00 0.00 59.36 58.51 1uul h GLU 65 Cb 1.06 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.22 1uul h GLU 65 CO -0.22 0.30 -1.53 0.74 -1.00 0.00 0.00 179.01 177.30 1uul h PHE 66 N 0.46 0.66 -0.87 4.33 0.04 -0.31 -3.37 116.94 117.88 1uul h PHE 66 Ca 0.26 -0.48 0.02 0.00 2.80 0.00 0.00 57.97 60.57 1uul h PHE 66 Cb 0.44 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.52 1uul h PHE 66 CO -0.00 1.60 0.58 1.03 -0.60 0.00 0.00 178.31 180.91 1uul h SER 67 N -0.06 0.97 0.61 2.17 0.87 -0.12 -1.17 113.55 116.83 1uul h SER 67 Ca -0.30 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 1uul h SER 67 Cb 1.97 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 63.69 1uul h SER 67 CO 0.15 0.69 -0.03 0.44 -0.53 0.00 0.00 176.83 177.55 1uul h ASP 68 N 1.14 0.00 -0.42 6.23 3.32 -0.37 -2.43 116.42 123.90 1uul h ASP 68 Ca 0.33 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.18 1uul h ASP 68 Cb -0.06 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.36 1uul h ASP 68 CO -0.09 0.03 0.00 2.30 -1.72 0.00 0.00 179.24 179.77 1uul n ILE 69 N -3.19 2.61 -2.14 0.35 -5.35 -0.54 -4.94 119.36 106.16 1uul n ILE 69 Ca -0.01 -2.60 -0.06 0.00 -0.27 0.00 0.00 62.75 59.81 1uul n ILE 69 Cb 0.23 -0.33 -0.00 0.00 -1.74 0.00 0.00 39.64 37.80 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 -1.08 0.14 3.03 3.28 0.00 -0.91 -4.95 105.19 104.69 1uul n GLY 70 Ca 0.35 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 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 0.78 3.49 0.02 0.00 0.41 0.15 -2.71 118.70 120.84 1uul s GLU 72 Ca -0.12 -0.45 0.05 0.00 -0.41 0.00 0.00 54.97 54.04 1uul s GLU 72 Cb -0.16 -2.80 -0.02 0.00 -1.78 0.00 0.00 34.13 29.38 1uul s GLU 72 CO 0.02 0.33 -0.16 0.54 -0.49 0.00 0.00 175.26 175.50 1uul s VAL 73 N -2.03 1.28 -0.03 2.63 0.11 -1.26 -0.66 120.40 120.44 1uul s VAL 73 Ca 0.38 -0.90 -0.01 0.00 -2.93 0.00 0.00 61.98 58.52 1uul s VAL 73 Cb -0.10 -1.11 0.03 0.00 -1.53 0.00 0.00 36.38 33.67 1uul s VAL 73 CO 0.31 0.20 0.04 -0.22 -3.33 0.00 0.00 175.10 172.10 1uul s LEU 74 N -0.81 0.77 0.39 2.54 2.96 -0.20 -4.54 118.68 119.79 1uul s LEU 74 Ca 0.05 0.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.05 1uul s LEU 74 Cb -0.07 -0.10 -0.00 0.00 0.50 0.00 0.00 46.19 46.51 1uul s LEU 74 CO 0.01 -0.17 0.56 0.00 -1.32 0.00 0.00 176.35 175.43 1uul s ALA 75 N 1.44 4.08 -0.24 5.97 0.00 -1.00 -0.84 121.76 131.16 1uul s ALA 75 Ca -0.04 -1.33 -0.26 0.00 0.00 0.00 0.00 51.96 50.32 1uul s ALA 75 Cb -0.13 -1.85 0.07 0.00 0.00 0.00 0.00 23.12 21.22 1uul s ALA 75 CO -0.03 -0.20 0.73 0.00 0.00 0.00 0.00 175.76 176.26 1uul s SER 77 N 0.16 -0.08 0.43 0.00 1.04 -1.04 -1.92 113.70 112.29 1uul s SER 77 Ca -0.01 -0.87 0.29 0.00 0.48 0.00 0.00 55.95 55.85 1uul s SER 77 Cb -0.04 0.73 1.18 0.00 0.10 0.00 0.00 66.02 67.98 1uul s SER 77 CO 0.02 -1.39 1.87 0.00 0.98 0.00 0.00 173.24 174.72 1uul h MET 78 N 2.06 0.00 -7.37 4.02 -0.00 -1.79 0.12 114.93 111.98 1uul h MET 78 Ca -0.24 0.00 -0.50 0.00 -0.00 0.00 0.00 59.70 58.96 1uul h MET 78 Cb 1.25 0.00 0.12 0.00 -0.00 0.00 0.00 31.60 32.97 1uul h MET 78 CO 0.31 0.00 0.33 -0.51 -0.00 0.00 0.00 176.91 177.04 1uul s ASP 79 N -5.15 4.55 0.77 -0.10 1.01 -1.26 -4.14 116.67 112.35 1uul s ASP 79 Ca 0.03 1.49 -0.12 0.00 0.71 0.00 0.00 52.55 54.66 1uul s ASP 79 Cb 0.09 -2.24 0.05 0.00 1.01 0.00 0.00 42.92 41.83 1uul s ASP 79 CO 0.49 -1.95 1.10 -0.94 0.21 0.00 0.00 175.17 174.08 1uul s SER 80 N -3.73 4.79 0.23 0.27 1.04 -1.26 -4.19 113.70 110.85 1uul s SER 80 Ca 0.61 1.20 -0.07 0.00 0.48 0.00 0.00 55.95 58.17 1uul s SER 80 Cb -0.15 -1.94 0.31 0.00 0.10 0.00 0.00 66.02 64.34 1uul s SER 80 CO 0.55 -1.76 1.82 1.05 0.98 0.00 0.00 173.24 175.88 1uul h GLU 81 N -0.95 0.77 -0.38 4.02 4.11 -1.93 -1.22 114.58 119.00 1uul h GLU 81 Ca -0.46 -0.05 -0.08 0.00 0.07 0.00 0.00 59.36 58.85 1uul h GLU 81 Cb 1.27 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1uul h GLU 81 CO 0.61 0.51 -0.08 1.88 0.07 0.00 0.00 179.01 182.01 1uul h TYR 82 N 0.79 0.69 -0.23 2.06 -1.99 -1.99 0.22 116.97 116.53 1uul h TYR 82 Ca 0.35 -0.11 -0.01 0.00 2.00 0.00 0.00 58.73 60.97 1uul h TYR 82 Cb 0.24 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 1uul h TYR 82 CO -0.06 0.71 0.12 1.03 -0.00 0.00 0.00 178.16 179.95 1uul h SER 83 N 0.60 0.29 -0.08 3.88 0.87 -1.79 0.24 113.55 117.56 1uul h SER 83 Ca 0.11 -0.10 0.04 0.00 -1.23 0.00 0.00 61.79 60.61 1uul h SER 83 Cb 0.49 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.33 1uul h SER 83 CO 0.03 0.31 -0.22 0.45 -0.53 0.00 0.00 176.83 176.87 1uul h HIS 84 N 0.25 -0.59 -0.51 2.24 3.86 -0.34 -0.79 115.15 119.27 1uul h HIS 84 Ca 0.08 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.37 1uul h HIS 84 Cb 0.09 0.27 -0.05 0.00 1.06 0.00 0.00 27.41 28.79 1uul h HIS 84 CO -0.03 -0.31 0.24 1.25 0.86 0.00 0.00 177.93 179.94 1uul h LEU 85 N -0.31 0.32 -0.55 2.43 5.85 -0.23 0.21 115.31 123.03 1uul h LEU 85 Ca 0.09 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1uul h LEU 85 Cb 0.43 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1uul h LEU 85 CO -0.26 0.22 0.33 0.00 -0.34 0.00 0.00 178.44 178.39 1uul h ALA 86 N 1.29 0.70 -0.47 1.25 0.00 0.19 -0.02 119.26 122.20 1uul h ALA 86 Ca 0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1uul h ALA 86 Cb 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1uul h ALA 86 CO -0.18 0.05 0.22 2.35 0.00 0.00 0.00 179.25 181.69 1uul h TRP 87 N 0.66 0.64 0.00 0.00 7.01 -0.39 0.10 115.95 123.97 1uul h TRP 87 Ca 0.22 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.18 1uul h TRP 87 Cb 0.02 -0.21 -0.00 0.00 -2.10 0.00 0.00 29.16 26.87 1uul h TRP 87 CO -0.06 0.48 -0.10 0.00 -2.79 0.00 0.00 178.44 175.97 1uul h THR 88 N 0.66 0.36 0.00 2.65 1.03 0.92 -2.45 112.91 116.07 1uul h THR 88 Ca 0.16 -0.58 0.00 0.00 -0.01 0.00 0.00 66.41 65.99 1uul h THR 88 Cb 0.08 1.42 0.00 0.00 -1.07 0.00 0.00 68.15 68.58 1uul h THR 88 CO -0.02 0.10 -0.43 -1.20 -0.01 0.00 0.00 175.52 173.96 1uul n SER 89 N -3.39 0.45 -4.90 0.00 7.64 0.34 -3.10 113.62 110.67 1uul n SER 89 Ca -0.01 -0.03 -0.32 0.00 1.01 0.00 0.00 58.87 59.52 1uul n SER 89 Cb 0.27 0.08 -0.05 0.00 -1.01 0.00 0.00 64.21 63.50 1uul n SER 89 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1uul s ILE 90 N -3.03 5.21 0.30 0.44 2.07 -0.98 -4.94 121.20 120.27 1uul s ILE 90 Ca 0.11 0.04 -0.29 0.00 -1.41 0.00 0.00 60.65 59.09 1uul s ILE 90 Cb 0.17 -3.62 -0.10 0.00 0.13 0.00 0.00 42.46 39.04 1uul s ILE 90 CO 0.67 0.12 1.16 -1.83 -1.91 0.00 0.00 174.94 173.16 1uul s GLU 91 N -2.44 4.54 0.30 3.50 1.03 -1.26 -2.42 118.70 121.95 1uul s GLU 91 Ca 0.38 1.93 0.01 0.00 0.03 0.00 0.00 54.97 57.31 1uul s GLU 91 Cb -0.13 -3.14 0.72 0.00 -0.80 0.00 0.00 34.13 30.78 1uul s GLU 91 CO 0.23 0.08 1.60 -0.09 -1.33 0.00 0.00 175.26 175.75 1uul h ARG 92 N 3.65 0.07 0.00 -4.83 2.43 -1.84 0.46 114.38 114.31 1uul h ARG 92 Ca -0.47 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1uul h ARG 92 Cb 1.22 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1uul h ARG 92 CO 0.66 0.05 0.00 0.36 -1.51 0.00 0.00 179.97 179.53 1uul n LYS 93 N -5.39 0.02 -0.24 0.20 2.85 -1.26 -0.78 118.16 113.56 1uul n LYS 93 Ca 0.22 0.35 0.07 0.00 -1.05 0.00 0.00 58.31 57.90 1uul n LYS 93 Cb 0.72 -1.50 0.18 0.00 -0.65 0.00 0.00 35.03 33.77 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 -1.46 2.53 -0.24 -1.58 1.74 0.15 -4.93 116.66 112.87 1uul n ARG 94 Ca 0.02 -2.44 0.00 0.00 -0.77 0.00 0.00 57.85 54.66 1uul n ARG 94 Cb 0.07 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 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 -0.52 0.73 2.32 -0.13 0.00 0.04 -4.94 105.19 102.68 1uul n GLY 95 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.10 -1.09 0.09 -0.02 0.00 -0.60 -4.86 105.19 96.61 1uul n GLY 96 Ca 0.00 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 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 0.00 0.00 0.99 4.32 -0.96 -4.02 117.00 117.33 1uul n LEU 97 Ca 0.10 0.00 0.08 0.00 -0.02 0.00 0.00 56.01 56.17 1uul n LEU 97 Cb 0.35 0.45 -0.02 0.00 -1.62 0.00 0.00 43.42 42.58 1uul n LEU 97 CO 0.25 0.45 -0.10 0.61 -1.22 0.00 0.00 177.39 177.38 1uul n GLY 98 N 1.82 -1.70 3.64 -0.72 0.00 -1.02 -4.70 105.19 102.52 1uul n GLY 98 Ca -0.30 -1.21 -0.44 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 -2.42 1.73 -4.40 1.61 1.13 -1.26 -4.71 117.38 109.08 1uul n GLN 99 Ca 0.00 0.61 -0.32 0.00 -1.94 0.00 0.00 57.00 55.36 1uul n GLN 99 Cb 0.25 -2.13 -0.10 0.00 0.11 0.00 0.00 30.24 28.38 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 -1.25 2.51 0.00 -1.09 -1.94 -1.26 -5.02 119.30 111.25 1uul s MET 100 Ca 0.61 -0.76 0.17 0.00 -1.71 0.00 0.00 55.69 54.00 1uul s MET 100 Cb -0.66 -2.49 0.45 0.00 2.01 0.00 0.00 34.83 34.14 1uul s MET 100 CO 0.57 0.59 1.37 0.09 -0.01 0.00 0.00 175.02 177.63 1uul n ASN 101 N 1.36 3.37 -4.02 3.03 5.03 -1.26 -4.42 115.26 118.34 1uul n ASN 101 Ca -0.15 -1.98 -0.14 0.00 0.87 0.00 0.00 54.58 53.18 1uul n ASN 101 Cb 0.52 -0.34 -0.13 0.00 -1.02 0.00 0.00 39.78 38.82 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 -1.03 0.49 0.69 2.41 -4.36 -1.26 -4.89 121.20 113.25 1uul s ILE 102 Ca 0.35 -0.76 -0.15 0.00 -0.26 0.00 0.00 60.65 59.83 1uul s ILE 102 Cb 0.18 -0.51 0.02 0.00 1.25 0.00 0.00 42.46 43.40 1uul s ILE 102 CO 0.24 -0.19 1.15 -2.84 0.24 0.00 0.00 174.94 173.53 1uul s PRO 103 N -1.03 2.53 -0.20 0.37 0.02 -1.26 -4.36 135.00 131.07 1uul s PRO 103 Ca -0.05 1.54 -0.03 0.00 0.02 0.00 0.00 61.00 62.47 1uul s PRO 103 Cb -0.07 -1.90 0.07 0.00 0.02 0.00 0.00 34.50 32.61 1uul s PRO 103 CO 0.00 -1.48 0.06 0.42 -0.33 0.00 0.00 177.00 175.67 1uul s ILE 104 N -2.19 0.34 0.51 2.83 1.01 -0.91 -2.37 121.20 120.41 1uul s ILE 104 Ca 0.70 -0.52 -0.21 0.00 0.00 0.00 0.00 60.65 60.62 1uul s ILE 104 Cb -0.24 -0.94 -0.06 0.00 0.01 0.00 0.00 42.46 41.22 1uul s ILE 104 CO 0.43 -0.29 1.17 -0.76 0.00 0.00 0.00 174.94 175.48 1uul s LEU 105 N 1.93 3.88 -0.54 2.97 1.43 -0.23 -1.19 118.68 126.94 1uul s LEU 105 Ca 0.01 2.30 0.01 0.00 -1.03 0.00 0.00 54.13 55.42 1uul s LEU 105 Cb -0.17 -4.39 0.14 0.00 0.03 0.00 0.00 46.19 41.80 1uul s LEU 105 CO -0.11 -1.12 0.32 0.00 0.23 0.00 0.00 176.35 175.66 1uul s ALA 106 N -1.61 3.38 -1.15 4.21 0.00 -0.52 -2.50 121.76 123.57 1uul s ALA 106 Ca 0.68 -3.17 -0.14 0.00 0.00 0.00 0.00 51.96 49.33 1uul s ALA 106 Cb -0.28 -2.37 0.18 0.00 0.00 0.00 0.00 23.12 20.65 1uul s ALA 106 CO 0.33 -2.02 1.34 0.16 0.00 0.00 0.00 175.76 175.57 1uul s ASP 107 N 0.32 7.04 0.52 0.00 -4.77 0.03 -4.64 116.67 115.16 1uul s ASP 107 Ca 0.16 -2.93 0.19 0.00 -3.30 0.00 0.00 52.55 46.67 1uul s ASP 107 Cb -0.23 -2.37 1.33 0.00 -1.09 0.00 0.00 42.92 40.56 1uul s ASP 107 CO -0.02 -0.73 2.14 0.11 0.70 0.00 0.00 175.17 177.36 1uul h LYS 108 N 7.34 0.00 0.00 2.11 1.57 -1.80 -0.78 116.57 125.00 1uul h LYS 108 Ca 0.27 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.02 1uul h LYS 108 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1uul h LYS 108 CO 1.19 0.04 -0.31 1.79 -0.57 0.00 0.00 179.45 181.59 1uul h THR 109 N 0.00 0.25 -0.03 -0.16 1.35 -1.90 -3.47 112.91 108.95 1uul h THR 109 Ca -0.00 -1.37 -0.01 0.00 -0.55 0.00 0.00 66.41 64.48 1uul h THR 109 Cb 0.08 2.06 -0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1uul h THR 109 CO 0.01 0.14 -0.01 0.29 -0.25 0.00 0.00 175.52 175.70 1uul n LYS 110 N -3.08 -0.64 -0.21 4.72 5.02 -0.30 -4.91 118.16 118.76 1uul n LYS 110 Ca 0.02 0.21 -0.05 0.00 -2.02 0.00 0.00 58.31 56.48 1uul n LYS 110 Cb 0.60 -3.73 0.06 0.00 -0.02 0.00 0.00 35.03 31.94 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 0.76 0.73 -0.89 0.00 2.04 -1.91 0.24 117.51 118.49 1uul h ILE 112 Ca 0.24 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.77 1uul h ILE 112 Cb -0.00 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 1uul h ILE 112 CO -0.09 0.08 0.58 0.00 0.00 0.00 0.00 178.15 178.72 1uul h MET 113 N -0.62 0.99 -0.29 2.37 -0.00 -1.93 -0.48 114.93 114.97 1uul h MET 113 Ca -0.04 -0.06 0.04 0.00 -0.00 0.00 0.00 59.70 59.64 1uul h MET 113 Cb 0.44 -0.22 -0.04 0.00 -0.00 0.00 0.00 31.60 31.78 1uul h MET 113 CO 0.07 0.65 0.06 0.87 -0.00 0.00 0.00 176.91 178.56 1uul h LYS 114 N 1.02 0.16 -0.74 -0.10 1.57 -1.03 -1.22 116.57 116.22 1uul h LYS 114 Ca 0.38 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.26 1uul h LYS 114 Cb 0.18 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.37 1uul h LYS 114 CO -0.14 0.11 0.35 0.77 -0.57 0.00 0.00 179.45 179.97 1uul h SER 115 N 0.17 0.43 -0.11 0.86 0.02 0.63 -0.55 113.55 114.98 1uul h SER 115 Ca 0.13 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1uul h SER 115 Cb 0.14 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1uul h SER 115 CO -0.18 0.22 0.00 -1.22 -1.14 0.00 0.00 176.83 174.51 1uul n TYR 116 N -4.90 0.15 -2.87 3.45 4.02 -0.65 -2.88 117.16 113.48 1uul n TYR 116 Ca 0.13 -0.07 -0.19 0.00 -0.01 0.00 0.00 57.90 57.76 1uul n TYR 116 Cb 0.33 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.68 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 1.01 -0.32 0.29 2.72 0.00 -0.22 -4.76 105.19 103.91 1uul n GLY 117 Ca 0.15 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.22 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 -4.30 1.65 -2.80 1.61 0.24 -0.84 -4.73 118.33 109.15 1uul n VAL 118 Ca -0.10 -2.15 -0.41 0.00 -2.04 0.00 0.00 64.34 59.65 1uul n VAL 118 Cb 0.60 -0.10 -0.05 0.00 -1.47 0.00 0.00 33.84 32.83 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 -2.49 4.52 -0.52 1.34 0.20 -1.25 -0.41 118.68 120.08 1uul s LEU 119 Ca 0.29 1.74 -0.15 0.00 0.69 0.00 0.00 54.13 56.70 1uul s LEU 119 Cb 0.27 -3.50 0.12 0.00 -0.43 0.00 0.00 46.19 42.65 1uul s LEU 119 CO -0.00 0.01 0.47 -1.59 -0.29 0.00 0.00 176.35 174.94 1uul s LYS 120 N -0.30 2.95 0.36 1.98 -2.85 0.17 -4.87 119.74 117.18 1uul s LYS 120 Ca 0.43 -1.64 0.14 0.00 -1.00 0.00 0.00 55.97 53.90 1uul s LYS 120 Cb -0.23 -4.23 0.98 0.00 -2.06 0.00 0.00 37.83 32.28 1uul s LYS 120 CO 0.29 -1.26 1.77 0.93 0.10 0.00 0.00 175.35 177.18 1uul h GLU 121 N 8.83 0.50 0.00 1.78 4.39 -1.95 0.16 114.58 128.29 1uul h GLU 121 Ca -0.29 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.34 1uul h GLU 121 Cb 1.10 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 1uul h GLU 121 CO 0.99 0.33 -0.19 1.05 -1.16 0.00 0.00 179.01 180.03 1uul h GLU 122 N 0.52 0.00 0.00 2.33 9.09 -1.95 -3.29 114.58 121.28 1uul h GLU 122 Ca 0.59 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.00 1uul h GLU 122 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 1uul h GLU 122 CO -0.34 0.19 -0.81 -0.25 0.05 0.00 0.00 179.01 177.85 1uul n ASP 123 N -3.70 2.47 0.00 3.06 8.00 -0.30 -5.01 116.55 121.07 1uul n ASP 123 Ca -0.01 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.25 1uul n ASP 123 Cb 0.31 1.13 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 1.79 0.61 3.47 0.44 0.00 -0.11 -5.04 105.19 106.35 1uul n GLY 124 Ca -0.00 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 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 1.75 -0.01 1.61 -7.23 -1.23 -4.88 120.40 108.41 1uul s VAL 125 Ca 0.00 -2.12 -0.13 0.00 -1.81 0.00 0.00 61.98 57.92 1uul s VAL 125 Cb 0.00 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 1uul s VAL 125 CO 0.00 -0.22 0.37 0.00 -0.31 0.00 0.00 175.10 174.94 1uul s ALA 126 N -2.93 3.73 1.09 1.32 0.00 -1.26 0.44 121.76 124.15 1uul s ALA 126 Ca 0.31 -0.30 -0.14 0.00 0.00 0.00 0.00 51.96 51.84 1uul s ALA 126 Cb 0.05 -2.31 0.24 0.00 0.00 0.00 0.00 23.12 21.09 1uul s ALA 126 CO 0.14 0.51 1.08 0.71 0.00 0.00 0.00 175.76 178.20 1uul s TYR 127 N -1.10 1.57 -1.40 0.00 1.51 0.45 -2.81 117.35 115.57 1uul s TYR 127 Ca 0.23 0.90 -0.14 0.00 -1.01 0.00 0.00 57.07 57.05 1uul s TYR 127 Cb -0.16 -3.26 0.06 0.00 -0.11 0.00 0.00 41.96 38.50 1uul s TYR 127 CO 0.12 -3.38 2.07 0.54 -1.11 0.00 0.00 175.55 173.79 1uul n ARG 128 N -4.50 3.01 -3.40 -0.62 1.74 -0.94 -4.35 116.66 107.59 1uul n ARG 128 Ca 0.06 -2.87 -0.34 0.00 -0.77 0.00 0.00 57.85 53.93 1uul n ARG 128 Cb 0.57 -3.30 -0.06 0.00 -1.02 0.00 0.00 32.46 28.66 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 3.21 2.39 -0.05 -0.13 0.00 -1.24 -1.42 107.32 110.09 1uul s GLY 129 Ca 0.48 -0.20 -0.03 0.00 0.00 0.00 0.00 44.72 44.96 1uul s GLY 129 CO -0.04 0.03 0.12 -2.27 0.00 0.00 0.00 173.10 170.94 1uul s LEU 130 N -2.19 1.33 0.00 0.66 0.20 0.23 -0.42 118.68 118.49 1uul s LEU 130 Ca 0.40 0.24 0.02 0.00 0.69 0.00 0.00 54.13 55.48 1uul s LEU 130 Cb -0.14 0.36 -0.01 0.00 -0.43 0.00 0.00 46.19 45.97 1uul s LEU 130 CO 0.20 -0.07 -0.07 -0.36 -0.29 0.00 0.00 176.35 175.75 1uul s PHE 131 N 0.40 0.62 -0.31 5.38 0.40 0.19 -0.62 117.98 124.04 1uul s PHE 131 Ca -0.03 -0.18 -0.06 0.00 -0.60 0.00 0.00 56.93 56.07 1uul s PHE 131 Cb -0.04 -0.39 0.03 0.00 0.51 0.00 0.00 43.02 43.12 1uul s PHE 131 CO -0.02 -0.02 0.07 0.42 0.70 0.00 0.00 175.22 176.37 1uul s ILE 132 N -0.36 3.69 -0.15 0.64 1.01 -0.79 -1.13 121.20 124.11 1uul s ILE 132 Ca 0.01 -0.96 -0.08 0.00 0.00 0.00 0.00 60.65 59.61 1uul s ILE 132 Cb -0.04 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 1uul s ILE 132 CO -0.00 -0.03 0.13 -0.63 0.00 0.00 0.00 174.94 174.42 1uul s ILE 133 N 1.42 5.45 0.63 2.92 -1.09 0.29 -0.84 121.20 129.98 1uul s ILE 133 Ca -0.00 0.19 0.02 0.00 -2.23 0.00 0.00 60.65 58.63 1uul s ILE 133 Cb -0.18 -3.41 0.09 0.00 -1.58 0.00 0.00 42.46 37.38 1uul s ILE 133 CO 0.02 0.56 0.87 1.51 -1.23 0.00 0.00 174.94 176.67 1uul s ASP 134 N -0.57 4.81 0.63 3.58 1.47 -0.56 -0.80 116.67 125.23 1uul s ASP 134 Ca 0.13 -0.34 0.33 0.00 1.18 0.00 0.00 52.55 53.85 1uul s ASP 134 Cb -0.12 -0.26 1.86 0.00 -0.34 0.00 0.00 42.92 44.07 1uul s ASP 134 CO 0.02 -1.51 2.12 -0.65 0.68 0.00 0.00 175.17 175.84 1uul h PRO 135 N -0.18 0.00 -0.42 2.11 0.11 -1.80 0.65 132.00 132.47 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 -3.36 2.07 -2.29 1.05 5.02 -1.26 -1.71 118.16 117.67 1uul n LYS 136 Ca -0.01 -1.66 -0.08 0.00 -2.02 0.00 0.00 58.31 54.54 1uul n LYS 136 Cb 0.27 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 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 0.85 -1.09 -4.07 1.97 6.02 0.23 -4.98 117.38 116.30 1uul n GLN 137 Ca 0.16 0.39 -0.33 0.00 -0.01 0.00 0.00 57.00 57.21 1uul n GLN 137 Cb 0.41 -4.27 -0.07 0.00 1.02 0.00 0.00 30.24 27.33 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 -2.71 5.81 0.03 1.08 0.01 -1.25 -0.89 114.94 117.01 1uul s ASN 138 Ca 0.04 0.20 -0.30 0.00 -0.71 0.00 0.00 52.86 52.09 1uul s ASN 138 Cb -0.02 -1.71 -0.06 0.00 0.41 0.00 0.00 41.25 39.88 1uul s ASN 138 CO 0.05 0.29 1.33 -0.22 -1.51 0.00 0.00 177.10 177.04 1uul s LEU 139 N -1.66 4.33 0.00 0.60 2.96 -0.55 -1.49 118.68 122.87 1uul s LEU 139 Ca 0.22 2.09 0.00 0.00 -0.22 0.00 0.00 54.13 56.23 1uul s LEU 139 Cb -0.12 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1uul s LEU 139 CO 0.13 -0.64 0.09 0.54 -1.32 0.00 0.00 176.35 175.15 1uul n ARG 140 N 4.78 3.68 -3.68 1.98 1.74 -0.02 -0.44 116.66 124.70 1uul n ARG 140 Ca 0.12 -0.09 -0.11 0.00 -0.77 0.00 0.00 57.85 57.00 1uul n ARG 140 Cb 0.44 -0.48 -0.09 0.00 -1.02 0.00 0.00 32.46 31.30 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 -0.55 0.54 -0.05 5.56 -0.44 -1.22 -4.96 119.66 118.53 1uul s GLN 141 Ca 0.00 0.86 0.06 0.00 -2.50 0.00 0.00 55.36 53.78 1uul s GLN 141 Cb 0.00 0.13 -0.01 0.00 -1.64 0.00 0.00 33.01 31.49 1uul s GLN 141 CO 0.00 -0.13 -0.23 0.42 0.50 0.00 0.00 175.29 175.86 1uul s ILE 142 N 1.06 1.88 -0.05 -2.34 1.01 -1.26 -1.89 121.20 119.60 1uul s ILE 142 Ca -0.06 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.60 1uul s ILE 142 Cb -0.06 -1.59 0.03 0.00 0.01 0.00 0.00 42.46 40.85 1uul s ILE 142 CO -0.10 0.53 0.08 -0.89 0.00 0.00 0.00 174.94 174.56 1uul s THR 143 N -0.13 -0.13 -0.11 2.92 2.01 0.21 -5.00 115.64 115.41 1uul s THR 143 Ca -0.03 0.39 -0.01 0.00 0.31 0.00 0.00 61.69 62.35 1uul s THR 143 Cb -0.13 -0.17 0.03 0.00 0.01 0.00 0.00 72.50 72.24 1uul s THR 143 CO 0.03 0.16 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.40 1uul s VAL 144 N 2.04 0.77 0.01 3.82 1.01 -1.26 0.76 120.40 127.55 1uul s VAL 144 Ca 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 1uul s VAL 144 Cb -0.12 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1uul s VAL 144 CO -0.04 0.24 0.13 0.20 0.00 0.00 0.00 175.10 175.63 1uul s ASN 145 N 1.80 5.98 0.87 3.32 0.02 -0.51 -4.95 114.94 121.48 1uul s ASN 145 Ca 0.04 0.21 -0.10 0.00 -1.02 0.00 0.00 52.86 51.99 1uul s ASN 145 Cb -0.13 -1.78 0.12 0.00 0.02 0.00 0.00 41.25 39.48 1uul s ASN 145 CO -0.07 0.24 1.13 -0.62 0.02 0.00 0.00 177.10 177.80 1uul s ASP 146 N -1.98 3.37 0.27 -1.22 2.15 -1.26 -2.22 116.67 115.78 1uul s ASP 146 Ca 0.27 2.07 -0.00 0.00 0.43 0.00 0.00 52.55 55.31 1uul s ASP 146 Cb -0.12 -2.55 0.52 0.00 -0.30 0.00 0.00 42.92 40.47 1uul s ASP 146 CO 0.18 -2.80 1.82 -0.07 -0.17 0.00 0.00 175.17 174.14 1uul h LEU 147 N -1.66 0.85 -1.71 -1.34 3.38 -1.97 -3.03 115.31 109.84 1uul h LEU 147 Ca -0.43 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1uul h LEU 147 Cb 1.26 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1uul h LEU 147 CO 0.45 0.45 0.00 -0.65 0.09 0.00 0.00 178.44 178.78 1uul h PRO 148 N 0.93 0.00 -5.27 1.13 0.11 -2.04 -3.44 132.00 123.42 1uul h PRO 148 Ca 0.48 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.93 1uul h PRO 148 Cb 0.48 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 31.30 1uul h PRO 148 CO -0.27 0.00 -0.78 0.08 -0.21 0.00 0.00 178.00 176.82 1uul s VAL 149 N -3.71 2.88 0.62 3.15 1.01 -1.14 -5.01 120.40 118.20 1uul s VAL 149 Ca -0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.17 1uul s VAL 149 Cb 0.10 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1uul s VAL 149 CO 0.44 0.52 1.00 -0.83 0.00 0.00 0.00 175.10 176.23 1uul s GLY 150 N 0.53 1.63 0.77 4.51 0.00 -1.26 -4.73 107.32 108.77 1uul s GLY 150 Ca -0.09 -0.22 -0.06 0.00 0.00 0.00 0.00 44.72 44.34 1uul s GLY 150 CO 0.04 0.05 1.08 0.50 0.00 0.00 0.00 173.10 174.77 1uul s ARG 151 N -5.14 1.54 -0.26 2.90 0.52 -1.26 -5.08 118.95 112.18 1uul s ARG 151 Ca 0.54 -0.73 0.01 0.00 -0.52 0.00 0.00 55.73 55.03 1uul s ARG 151 Cb -0.11 -2.18 0.05 0.00 0.52 0.00 0.00 34.95 33.23 1uul s ARG 151 CO 0.52 -1.63 -0.09 0.34 0.02 0.00 0.00 175.30 174.46 1uul s ASP 152 N -4.72 4.35 0.29 0.23 2.15 -1.26 -4.99 116.67 112.72 1uul s ASP 152 Ca 0.67 -1.19 -0.00 0.00 0.43 0.00 0.00 52.55 52.45 1uul s ASP 152 Cb -0.06 -1.59 0.50 0.00 -0.30 0.00 0.00 42.92 41.46 1uul s ASP 152 CO 0.46 -0.17 1.90 0.58 -0.17 0.00 0.00 175.17 177.78 1uul h VAL 153 N 6.50 1.07 -0.57 1.11 2.07 -1.98 -1.61 116.25 122.85 1uul h VAL 153 Ca -0.25 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1uul h VAL 153 Cb 1.07 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1uul h VAL 153 CO 0.52 0.20 0.26 0.44 0.02 0.00 0.00 177.57 179.00 1uul h ASP 154 N 1.07 0.72 -0.20 0.57 3.32 -1.99 -1.82 116.42 118.09 1uul h ASP 154 Ca 0.40 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.28 1uul h ASP 154 Cb 0.19 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1uul h ASP 154 CO -0.15 0.62 -0.20 -0.08 -1.72 0.00 0.00 179.24 177.70 1uul h GLU 155 N 0.80 0.65 -0.64 3.56 4.57 -1.73 0.33 114.58 122.11 1uul h GLU 155 Ca 0.20 -0.24 -0.09 0.00 -1.18 0.00 0.00 59.36 58.05 1uul h GLU 155 Cb 0.10 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1uul h GLU 155 CO -0.02 0.81 0.06 0.00 -1.18 0.00 0.00 179.01 178.67 1uul h ALA 156 N 1.20 0.89 -0.10 2.92 0.00 -1.07 -0.73 119.26 122.38 1uul h ALA 156 Ca 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1uul h ALA 156 Cb 0.66 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1uul h ALA 156 CO 0.05 0.67 0.03 1.25 0.00 0.00 0.00 179.25 181.24 1uul h LEU 157 N 1.00 0.16 -0.46 0.00 6.46 -0.61 -0.26 115.31 121.59 1uul h LEU 157 Ca 0.19 -0.22 0.09 0.00 -0.12 0.00 0.00 57.88 57.81 1uul h LEU 157 Cb 0.49 -0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 40.31 1uul h LEU 157 CO 0.02 0.34 0.02 -0.09 -0.62 0.00 0.00 178.44 178.11 1uul h ARG 158 N -0.03 0.14 -0.03 1.25 2.43 -0.12 -1.33 114.38 116.69 1uul h ARG 158 Ca 0.03 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1uul h ARG 158 Cb 0.24 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1uul h ARG 158 CO -0.00 0.09 -0.03 -0.07 -1.51 0.00 0.00 179.97 178.45 1uul h LEU 159 N 0.14 -0.09 -0.61 3.80 3.38 -0.52 -0.17 115.31 121.24 1uul h LEU 159 Ca 0.23 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.24 1uul h LEU 159 Cb 0.34 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1uul h LEU 159 CO -0.36 -0.04 0.39 0.58 0.09 0.00 0.00 178.44 179.10 1uul h VAL 160 N -0.04 1.12 -0.64 1.22 2.07 -0.53 -0.47 116.25 118.99 1uul h VAL 160 Ca 0.02 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1uul h VAL 160 Cb 0.07 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 1uul h VAL 160 CO -0.06 0.14 0.28 0.11 0.02 0.00 0.00 177.57 178.07 1uul h LYS 161 N 0.79 0.93 -0.63 1.57 1.57 -0.95 0.12 116.57 119.97 1uul h LYS 161 Ca 0.24 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1uul h LYS 161 Cb -0.04 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 1uul h LYS 161 CO -0.07 0.76 0.42 0.00 -0.57 0.00 0.00 179.45 179.98 1uul h ALA 162 N 1.12 0.80 -0.38 3.86 0.00 -0.33 0.18 119.26 124.51 1uul h ALA 162 Ca 0.22 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1uul h ALA 162 Cb 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1uul h ALA 162 CO -0.02 0.22 -0.20 0.74 0.00 0.00 0.00 179.25 179.99 1uul h PHE 163 N 0.85 0.83 -0.34 0.00 -1.00 -0.50 -1.13 116.94 115.65 1uul h PHE 163 Ca 0.23 -0.18 -0.04 0.00 2.81 0.00 0.00 57.97 60.80 1uul h PHE 163 Cb -0.09 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.25 1uul h PHE 163 CO -0.03 0.87 0.03 1.96 -1.61 0.00 0.00 178.31 179.53 1uul h GLN 164 N 0.65 0.51 -0.32 1.51 4.20 -0.05 -1.59 115.11 120.01 1uul h GLN 164 Ca 0.10 -0.09 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 1uul h GLN 164 Cb 0.69 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 1uul h GLN 164 CO 0.05 0.51 -0.48 0.35 -0.67 0.00 0.00 178.83 178.59 1uul h PHE 165 N 0.49 1.10 -0.34 2.96 3.04 0.34 -2.78 116.94 121.77 1uul h PHE 165 Ca 0.11 -0.37 -0.17 0.00 3.98 0.00 0.00 57.97 61.52 1uul h PHE 165 Cb 0.27 -0.22 -0.00 0.00 2.56 0.00 0.00 35.95 38.56 1uul h PHE 165 CO 0.01 1.20 -0.45 0.28 -2.02 0.00 0.00 178.31 177.32 1uul h VAL 166 N 0.69 1.27 0.00 1.41 2.07 -0.93 -2.45 116.25 118.31 1uul h VAL 166 Ca 0.03 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.92 1uul h VAL 166 Cb 1.08 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1uul h VAL 166 CO 0.11 0.54 0.00 1.21 0.02 0.00 0.00 177.57 179.45 1uul n GLU 167 N -4.03 0.36 -0.05 1.57 4.07 -0.63 -2.01 120.64 119.92 1uul n GLU 167 Ca -0.03 0.08 -0.03 0.00 -0.06 0.00 0.00 57.16 57.12 1uul n GLU 167 Cb 0.58 -1.50 -0.10 0.00 -0.06 0.00 0.00 31.44 30.36 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 -1.21 1.55 0.00 5.31 4.81 -0.96 -4.75 118.16 122.91 1uul n LYS 168 Ca 0.10 -0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1uul n LYS 168 Cb 0.12 -1.32 -0.00 0.00 0.02 0.00 0.00 35.03 33.85 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 -2.33 0.00 -0.82 5.64 8.25 -0.99 -4.98 115.22 119.99 1uul n HIS 169 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 1uul n HIS 169 Cb 0.76 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.87 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 0.95 0.62 3.90 -1.41 0.00 -0.85 -4.98 105.19 103.42 1uul n GLY 170 Ca 0.00 0.00 -0.29 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 -0.38 3.65 -0.05 1.61 2.02 -1.26 -4.57 118.70 119.72 1uul s GLU 171 Ca 0.00 0.03 -0.04 0.00 0.02 0.00 0.00 54.97 54.98 1uul s GLU 171 Cb 0.00 -2.65 -0.04 0.00 0.10 0.00 0.00 34.13 31.54 1uul s GLU 171 CO 0.00 0.23 0.17 0.08 0.02 0.00 0.00 175.26 175.77 1uul s VAL 172 N -2.04 5.45 -0.29 2.63 1.01 0.72 -4.40 120.40 123.48 1uul s VAL 172 Ca 0.44 -0.02 -0.17 0.00 0.00 0.00 0.00 61.98 62.23 1uul s VAL 172 Cb -0.11 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1uul s VAL 172 CO 0.29 0.43 0.47 0.00 0.00 0.00 0.00 175.10 176.28 1uul n PRO 174 N 5.53 -4.08 -2.30 0.00 -0.02 -1.26 -4.89 135.00 127.99 1uul n PRO 174 Ca -0.06 -1.27 -0.40 0.00 -2.02 0.00 0.00 63.50 59.76 1uul n PRO 174 Cb 0.50 -1.54 -0.03 0.00 -0.02 0.00 0.00 33.50 32.41 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 -2.29 3.33 0.00 3.55 0.00 -1.26 -2.90 121.76 122.18 1uul s ALA 175 Ca 0.57 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.56 1uul s ALA 175 Cb -0.09 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1uul s ALA 175 CO 0.46 -0.45 0.00 0.09 0.00 0.00 0.00 175.76 175.86 1uul n ASN 176 N 0.60 -3.66 -4.54 0.00 3.02 -1.26 -4.93 115.26 104.49 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 0.45 -2.09 -0.07 0.00 -0.61 0.00 0.00 39.78 37.46 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 1.07 -4.21 3.10 -0.00 -1.14 -4.99 117.44 108.96 1uul n TRP 177 Ca 0.00 0.85 -0.18 0.00 -0.00 0.00 0.00 57.50 58.17 1uul n TRP 177 Cb 0.23 -2.21 -0.11 0.00 -0.00 0.00 0.00 31.31 29.21 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 0.24 0.94 0.11 5.87 1.02 -1.26 -5.00 119.74 121.66 1uul s LYS 178 Ca 0.88 -1.13 -0.36 0.00 0.02 0.00 0.00 55.97 55.38 1uul s LYS 178 Cb -1.11 -0.85 -0.16 0.00 -0.52 0.00 0.00 37.83 35.18 1uul s LYS 178 CO 0.52 0.17 1.30 -2.30 -0.92 0.00 0.00 175.35 174.12 1uul n PRO 179 N 0.81 1.16 0.00 -1.68 -0.02 -1.26 -1.23 135.00 132.78 1uul n PRO 179 Ca -0.18 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1uul n PRO 179 Cb 0.56 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 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 2.40 1.77 3.83 -1.23 0.00 -1.26 -5.07 105.19 105.63 1uul n GLY 180 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.52 4.83 -0.15 1.61 1.01 -0.36 -4.98 116.67 117.11 1uul s ASP 181 Ca 0.00 1.26 -0.29 0.00 0.71 0.00 0.00 52.55 54.22 1uul s ASP 181 Cb 0.00 -2.02 -0.01 0.00 1.01 0.00 0.00 42.92 41.90 1uul s ASP 181 CO 0.00 -1.75 1.18 -0.54 0.21 0.00 0.00 175.17 174.27 1uul s LYS 182 N -5.22 4.29 0.42 8.23 1.02 -1.26 -4.97 119.74 122.25 1uul s LYS 182 Ca 0.60 1.58 0.08 0.00 0.02 0.00 0.00 55.97 58.24 1uul s LYS 182 Cb -0.13 -3.67 -0.01 0.00 -0.52 0.00 0.00 37.83 33.50 1uul s LYS 182 CO 0.53 -0.59 0.45 0.95 -0.92 0.00 0.00 175.35 175.77 1uul s THR 183 N 2.97 2.75 0.28 2.17 -4.23 -1.26 -4.67 115.64 113.65 1uul s THR 183 Ca 0.52 -1.23 0.02 0.00 -1.18 0.00 0.00 61.69 59.82 1uul s THR 183 Cb -0.21 -2.97 -0.05 0.00 1.34 0.00 0.00 72.50 70.61 1uul s THR 183 CO 0.15 0.00 0.12 0.00 -0.54 0.00 0.00 174.62 174.35 1uul s MET 184 N -4.21 1.48 -0.15 3.99 0.00 -1.06 -4.94 119.30 114.41 1uul s MET 184 Ca 0.50 -1.82 -0.08 0.00 0.00 0.00 0.00 55.69 54.29 1uul s MET 184 Cb -0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 34.83 34.51 1uul s MET 184 CO 0.30 -0.35 0.14 0.15 0.00 0.00 0.00 175.02 175.26 1uul s LYS 185 N -3.96 3.76 0.00 3.16 1.02 -1.26 -0.20 119.74 122.25 1uul s LYS 185 Ca 0.37 -0.17 -0.01 0.00 0.02 0.00 0.00 55.97 56.18 1uul s LYS 185 Cb 0.07 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 34.06 1uul s LYS 185 CO 0.15 0.58 1.04 -2.30 -0.92 0.00 0.00 175.35 173.89 1uul n PRO 186 N 2.63 0.49 -4.37 -1.68 -0.02 -1.26 -4.17 135.00 126.62 1uul n PRO 186 Ca -0.18 -0.11 -0.19 0.00 -2.02 0.00 0.00 63.50 61.00 1uul n PRO 186 Cb 0.54 -1.42 -0.15 0.00 -0.02 0.00 0.00 33.50 32.45 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 2.18 1.09 0.10 2.55 -1.08 -1.26 -5.07 116.67 115.18 1uul s ASP 187 Ca 0.07 -0.19 -0.33 0.00 -0.52 0.00 0.00 52.55 51.58 1uul s ASP 187 Cb 0.04 -0.12 -0.14 0.00 -1.46 0.00 0.00 42.92 41.24 1uul s ASP 187 CO 0.00 0.10 1.53 -0.65 0.52 0.00 0.00 175.17 176.67 1uul h PRO 188 N 5.84 -0.65 0.00 4.34 0.11 -1.99 -2.09 132.00 137.56 1uul h PRO 188 Ca -0.31 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1uul h PRO 188 Cb 1.18 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1uul h PRO 188 CO 0.49 -0.43 0.00 0.39 -0.21 0.00 0.00 178.00 178.24 1uul n GLU 189 N -5.34 0.00 0.00 1.05 1.02 -1.26 -2.93 120.64 113.18 1uul n GLU 189 Ca -0.07 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 1uul n GLU 189 Cb 0.39 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 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 -1.93 0.00 0.00 3.49 4.81 -1.22 0.93 118.16 124.24 1uul n LYS 190 Ca 0.00 0.04 0.09 0.00 -0.87 0.00 0.00 58.31 57.58 1uul n LYS 190 Cb 0.00 -1.54 -0.11 0.00 0.02 0.00 0.00 35.03 33.40 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 -0.84 0.98 0.29 3.14 3.41 -0.79 -4.37 113.62 115.45 1uul n SER 191 Ca 0.00 -0.99 0.16 0.00 -0.26 0.00 0.00 58.87 57.77 1uul n SER 191 Cb 0.04 0.98 0.88 0.00 -0.26 0.00 0.00 64.21 65.84 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 0.10 0.00 0.00 4.33 1.79 0.48 -1.24 116.57 122.03 1uul h LYS 192 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1uul h LYS 192 Cb 0.48 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1uul h LYS 192 CO 0.00 0.05 -0.12 0.93 -1.08 0.00 0.00 179.45 179.24 1uul h GLU 193 N 0.00 0.00 0.12 3.15 5.08 -1.77 -2.79 114.58 118.37 1uul h GLU 193 Ca -0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 1uul h GLU 193 Cb 0.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1uul h GLU 193 CO 0.01 0.12 -1.38 -0.92 -1.00 0.00 0.00 179.01 175.83 1uul h TYR 194 N 0.00 0.47 0.00 4.33 3.20 -1.52 -3.27 116.97 120.17 1uul h TYR 194 Ca -0.00 -0.34 0.00 0.00 3.14 0.00 0.00 58.73 61.53 1uul h TYR 194 Cb 0.63 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.88 1uul h TYR 194 CO 0.00 1.32 0.00 1.19 -1.64 0.00 0.00 178.16 179.03 1uul n PHE 195 N -3.49 0.35 -1.56 -3.82 3.72 -1.08 -3.73 117.46 107.86 1uul n PHE 195 Ca -0.12 0.12 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 1uul n PHE 195 Cb 1.03 -0.69 -0.03 0.00 -0.94 0.00 0.00 39.48 38.85 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 0.72 3.33 0.00 1.37 0.00 -1.08 -5.13 105.19 104.40 1uul n GLY 196 Ca 0.05 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1uul n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32