#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhw s SER 2 N 0.00 0.13 0.01 1.61 1.04 -1.26 -4.92 113.70 110.31 1uhw s SER 2 Ca 0.00 -2.24 -0.13 0.00 0.48 0.00 0.00 55.95 54.06 1uhw s SER 2 Cb 0.00 0.73 0.02 0.00 0.10 0.00 0.00 66.02 66.87 1uhw s SER 2 CO 0.00 -0.14 0.27 -0.94 0.98 0.00 0.00 173.24 173.42 1uhw s SER 3 N 0.65 -0.12 0.00 7.02 1.04 -1.26 -4.93 113.70 116.10 1uhw s SER 3 Ca 0.29 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1uhw s SER 3 Cb -0.01 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1uhw s SER 3 CO -0.11 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.22 1uhw n GLY 4 N 1.03 0.99 0.35 7.32 0.00 -1.26 -4.53 105.19 109.09 1uhw n GLY 4 Ca -0.21 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 45.87 1uhw n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uhw n SER 5 N 2.44 -0.32 -3.65 1.61 3.41 -1.26 -4.82 113.62 111.03 1uhw n SER 5 Ca 0.00 1.66 -0.20 0.00 -0.26 0.00 0.00 58.87 60.07 1uhw n SER 5 Cb 0.00 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 1uhw n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1uhw n SER 6 N -5.56 -5.41 0.00 4.04 3.41 -1.26 -4.24 113.62 104.60 1uhw n SER 6 Ca 0.16 -0.78 0.00 0.00 -0.26 0.00 0.00 58.87 57.99 1uhw n SER 6 Cb 0.51 -2.35 0.00 0.00 -0.26 0.00 0.00 64.21 62.12 1uhw n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uhw n GLY 7 N -1.63 1.75 0.29 5.00 0.00 -1.26 -4.95 105.19 104.38 1uhw n GLY 7 Ca -0.26 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 1uhw n GLY 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uhw h LEU 8 N 0.00 -0.57 0.00 0.99 3.38 -1.97 -2.62 115.31 114.51 1uhw h LEU 8 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1uhw h LEU 8 Cb 0.00 0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1uhw h LEU 8 CO 0.00 -0.37 0.00 0.61 0.09 0.00 0.00 178.44 178.77 1uhw n GLY 9 N -1.24 -2.45 0.32 0.83 0.00 -1.26 0.24 105.19 101.63 1uhw n GLY 9 Ca -0.12 0.49 0.18 0.00 0.00 0.00 0.00 46.02 46.57 1uhw n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uhw h ALA 10 N -1.04 1.51 0.05 4.61 0.00 -1.95 0.92 119.26 123.35 1uhw h ALA 10 Ca 0.00 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1uhw h ALA 10 Cb 0.00 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1uhw h ALA 10 CO 0.00 -0.58 -0.02 1.25 0.00 0.00 0.00 179.25 179.90 1uhw h LEU 11 N 0.16 -0.05 0.03 0.00 5.85 0.16 -3.01 115.31 118.44 1uhw h LEU 11 Ca 0.64 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.31 1uhw h LEU 11 Cb 1.40 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 1uhw h LEU 11 CO -0.72 0.02 -0.04 0.22 -0.34 0.00 0.00 178.44 177.59 1uhw h TYR 12 N -0.12 -0.09 -0.81 1.25 3.20 0.96 -2.14 116.97 119.21 1uhw h TYR 12 Ca -0.01 0.00 0.33 0.00 3.14 0.00 0.00 58.73 62.19 1uhw h TYR 12 Cb 0.11 0.04 -0.15 0.00 1.54 0.00 0.00 36.73 38.26 1uhw h TYR 12 CO -0.06 -0.06 0.38 1.28 -1.64 0.00 0.00 178.16 178.07 1uhw n LEU 13 N -5.14 0.23 0.10 2.82 4.77 0.24 0.17 117.00 120.19 1uhw n LEU 13 Ca -0.07 1.35 -0.05 0.00 -0.03 0.00 0.00 56.01 57.22 1uhw n LEU 13 Cb 0.07 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.50 1uhw n LEU 13 CO 0.32 -1.50 0.18 0.28 -1.33 0.00 0.00 177.39 175.35 1uhw h SER 14 N 0.00 -0.26 -0.38 -1.43 0.02 -1.33 -3.20 113.55 106.96 1uhw h SER 14 Ca 0.66 0.01 0.11 0.00 -0.84 0.00 0.00 61.79 61.73 1uhw h SER 14 Cb 1.72 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 64.31 1uhw h SER 14 CO -0.65 0.03 0.61 0.24 -1.14 0.00 0.00 176.83 175.92 1uhw h MET 15 N -0.73 0.00 -0.88 3.45 2.86 0.02 1.62 114.93 121.27 1uhw h MET 15 Ca -0.03 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.44 1uhw h MET 15 Cb 0.23 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.79 1uhw h MET 15 CO 0.05 0.00 0.21 0.36 1.06 0.00 0.00 176.91 178.59 1uhw n LYS 16 N -3.30 2.53 -4.02 1.72 -0.00 0.45 -3.12 118.16 112.42 1uhw n LYS 16 Ca 0.07 -1.87 -0.30 0.00 -0.00 0.00 0.00 58.31 56.21 1uhw n LYS 16 Cb 0.76 -1.84 -0.16 0.00 -0.00 0.00 0.00 35.03 33.80 1uhw n LYS 16 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1uhw s ASP 17 N -0.43 2.99 0.00 -5.58 2.15 0.55 -4.97 116.67 111.38 1uhw s ASP 17 Ca 0.34 -0.65 0.20 0.00 0.43 0.00 0.00 52.55 52.87 1uhw s ASP 17 Cb 0.27 -1.22 1.22 0.00 -0.30 0.00 0.00 42.92 42.90 1uhw s ASP 17 CO 0.08 -0.09 1.65 -0.81 -0.17 0.00 0.00 175.17 175.83 1uhw n PRO 18 N 4.73 0.75 -0.04 4.34 -0.04 -1.26 0.13 135.00 143.61 1uhw n PRO 18 Ca -0.16 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.20 1uhw n PRO 18 Cb 0.49 -1.43 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 1uhw n PRO 18 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1uhw n GLU 19 N -0.93 0.27 -1.07 0.54 1.02 -1.26 -4.73 120.64 114.48 1uhw n GLU 19 Ca 0.15 0.11 -0.08 0.00 -0.02 0.00 0.00 57.16 57.33 1uhw n GLU 19 Cb 0.07 -0.96 0.15 0.00 -0.02 0.00 0.00 31.44 30.69 1uhw n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1uhw n LYS 20 N -3.77 2.22 -0.78 3.49 4.76 -1.23 -5.01 118.16 117.84 1uhw n LYS 20 Ca -0.17 -3.46 0.00 0.00 -2.87 0.00 0.00 58.31 51.81 1uhw n LYS 20 Cb 0.47 -1.90 0.00 0.00 -1.84 0.00 0.00 35.03 31.76 1uhw n LYS 20 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1uhw n GLY 21 N -1.02 4.64 3.59 0.72 0.00 0.35 -4.59 105.19 108.88 1uhw n GLY 21 Ca 0.34 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 1uhw n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uhw s ILE 22 N -1.46 2.05 0.04 -0.61 1.01 -1.18 -4.76 121.20 116.29 1uhw s ILE 22 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 60.65 60.63 1uhw s ILE 22 Cb 0.00 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 1uhw s ILE 22 CO 0.00 -0.02 0.25 -0.54 0.00 0.00 0.00 174.94 174.62 1uhw s LYS 23 N -4.56 3.51 -0.19 2.79 -0.14 -1.26 -4.33 119.74 115.56 1uhw s LYS 23 Ca 0.67 -0.25 -0.05 0.00 -1.36 0.00 0.00 55.97 54.99 1uhw s LYS 23 Cb -0.24 -3.03 -0.02 0.00 -1.68 0.00 0.00 37.83 32.85 1uhw s LYS 23 CO 0.61 0.61 -0.00 -1.21 -0.76 0.00 0.00 175.35 174.60 1uhw s GLU 24 N -2.18 3.63 0.05 1.68 2.02 -1.26 -4.75 118.70 117.90 1uhw s GLU 24 Ca 0.32 -0.52 0.01 0.00 0.02 0.00 0.00 54.97 54.80 1uhw s GLU 24 Cb -0.13 -3.06 -0.03 0.00 0.10 0.00 0.00 34.13 31.01 1uhw s GLU 24 CO 0.22 0.05 -0.05 -0.51 0.02 0.00 0.00 175.26 174.99 1uhw s LEU 25 N 0.89 2.37 0.12 1.80 1.43 -1.13 -4.87 118.68 119.29 1uhw s LEU 25 Ca 0.01 -0.75 -0.27 0.00 -1.03 0.00 0.00 54.13 52.09 1uhw s LEU 25 Cb -0.14 0.03 -0.07 0.00 0.03 0.00 0.00 46.19 46.04 1uhw s LEU 25 CO 0.02 -0.39 0.83 0.54 0.23 0.00 0.00 176.35 177.57 1uhw s ASN 26 N -2.20 7.37 -0.27 2.29 4.22 -1.26 -1.68 114.94 123.40 1uhw s ASN 26 Ca -0.03 1.63 -0.01 0.00 -2.14 0.00 0.00 52.86 52.32 1uhw s ASN 26 Cb -0.02 -2.52 0.08 0.00 1.28 0.00 0.00 41.25 40.08 1uhw s ASN 26 CO -0.04 0.08 0.06 -0.76 -2.04 0.00 0.00 177.10 174.40 1uhw s LEU 27 N -0.51 2.07 -0.16 3.54 1.43 -1.10 -4.98 118.68 118.96 1uhw s LEU 27 Ca 0.40 -1.37 -0.03 0.00 -1.03 0.00 0.00 54.13 52.10 1uhw s LEU 27 Cb -0.22 -0.86 -0.02 0.00 0.03 0.00 0.00 46.19 45.12 1uhw s LEU 27 CO 0.26 -0.36 -0.06 -0.70 0.23 0.00 0.00 176.35 175.72 1uhw s GLU 28 N 1.63 3.54 -0.17 1.70 2.12 -1.26 -1.55 118.70 124.71 1uhw s GLU 28 Ca 0.05 -0.58 -0.20 0.00 0.36 0.00 0.00 54.97 54.59 1uhw s GLU 28 Cb -0.17 -2.86 0.05 0.00 0.26 0.00 0.00 34.13 31.41 1uhw s GLU 28 CO -0.17 0.14 0.54 0.21 -0.54 0.00 0.00 175.26 175.44 1uhw s LYS 29 N 0.59 0.69 0.00 4.30 2.20 -1.03 -4.96 119.74 121.54 1uhw s LYS 29 Ca -0.04 0.61 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 1uhw s LYS 29 Cb -0.15 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.50 1uhw s LYS 29 CO 0.03 -0.11 0.00 -3.47 -0.36 0.00 0.00 175.35 171.43 1uhw n ASP 30 N 2.43 0.00 0.00 1.43 2.03 -1.26 -3.18 116.55 118.00 1uhw n ASP 30 Ca -0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.16 1uhw n ASP 30 Cb 0.56 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 1uhw n ASP 30 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1uhw n LYS 31 N 0.00 0.00 -3.40 -0.67 5.02 -1.26 -5.14 118.16 112.71 1uhw n LYS 31 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 1uhw n LYS 31 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 1uhw n LYS 31 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1uhw s LYS 32 N 0.00 0.25 -0.50 1.97 1.02 -1.19 -5.12 119.74 116.18 1uhw s LYS 32 Ca 0.00 0.61 -0.12 0.00 0.02 0.00 0.00 55.97 56.48 1uhw s LYS 32 Cb 0.00 0.33 0.12 0.00 -0.52 0.00 0.00 37.83 37.77 1uhw s LYS 32 CO 0.00 -0.08 0.41 0.54 -0.92 0.00 0.00 175.35 175.30 1uhw s VAL 33 N 2.24 4.63 -0.67 3.17 0.11 -1.26 -2.45 120.40 126.17 1uhw s VAL 33 Ca -0.03 -1.66 -0.27 0.00 -2.93 0.00 0.00 61.98 57.09 1uhw s VAL 33 Cb -0.05 -4.01 0.02 0.00 -1.53 0.00 0.00 36.38 30.81 1uhw s VAL 33 CO -0.17 -0.81 1.42 -0.36 -3.33 0.00 0.00 175.10 171.85 1uhw s PHE 34 N 1.46 2.17 0.36 1.54 0.08 -0.60 -4.86 117.98 118.13 1uhw s PHE 34 Ca 0.05 0.24 -0.27 0.00 0.12 0.00 0.00 56.93 57.06 1uhw s PHE 34 Cb -0.28 -4.47 -0.09 0.00 -0.57 0.00 0.00 43.02 37.61 1uhw s PHE 34 CO 0.01 -2.08 1.25 -0.80 -0.10 0.00 0.00 175.22 173.50 1uhw s ASN 35 N 4.72 6.68 -0.55 1.36 -0.87 -1.26 -2.73 114.94 122.29 1uhw s ASN 35 Ca 0.45 2.56 -0.18 0.00 -1.57 0.00 0.00 52.86 54.12 1uhw s ASN 35 Cb -0.09 -2.64 0.03 0.00 -0.02 0.00 0.00 41.25 38.52 1uhw s ASN 35 CO 0.19 -0.59 0.64 1.41 -2.57 0.00 0.00 177.10 176.18 1uhw n HIS 36 N 0.54 -2.96 -4.41 2.20 8.25 -1.25 -3.26 115.22 114.34 1uhw n HIS 36 Ca 0.02 1.20 -0.20 0.00 -0.26 0.00 0.00 57.72 58.47 1uhw n HIS 36 Cb 0.44 -3.22 -0.10 0.00 1.12 0.00 0.00 29.99 28.23 1uhw n HIS 36 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1uhw n LEU 38 N -0.63 0.00 -3.63 0.00 4.77 0.31 -2.82 117.00 114.99 1uhw n LEU 38 Ca -0.02 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.84 1uhw n LEU 38 Cb 0.66 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.68 1uhw n LEU 38 CO 0.40 0.00 0.44 0.42 -1.33 0.00 0.00 177.39 177.32 1uhw s THR 39 N 1.02 0.00 0.56 -5.08 -4.23 -1.26 -3.46 115.64 103.19 1uhw s THR 39 Ca 0.00 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 60.77 1uhw s THR 39 Cb 0.00 -1.00 0.36 0.00 1.34 0.00 0.00 72.50 73.20 1uhw s THR 39 CO 0.00 0.00 2.07 1.23 -0.54 0.00 0.00 174.62 177.38 1uhw h GLY 40 N 5.41 0.00 1.20 3.99 0.00 -0.93 1.55 103.07 114.29 1uhw h GLY 40 Ca -0.29 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.70 1uhw h GLY 40 CO 0.08 0.00 -1.54 0.23 0.00 0.00 0.00 176.54 175.31 1uhw h SER 41 N 0.00 0.72 -0.00 0.19 0.87 -1.50 -3.18 113.55 110.65 1uhw h SER 41 Ca 0.12 -0.85 -0.07 0.00 -1.23 0.00 0.00 61.79 59.76 1uhw h SER 41 Cb 0.57 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1uhw h SER 41 CO -0.00 1.69 -0.27 1.23 -0.53 0.00 0.00 176.83 178.94 1uhw h GLY 42 N 0.54 0.21 -0.19 5.77 0.00 -1.36 -3.07 103.07 104.96 1uhw h GLY 42 Ca -0.27 -0.36 0.07 0.00 0.00 0.00 0.00 47.33 46.77 1uhw h GLY 42 CO 0.24 0.32 -0.36 -0.39 0.00 0.00 0.00 176.54 176.35 1uhw h VAL 43 N -0.47 0.19 -0.68 4.60 -1.51 0.20 0.88 116.25 119.45 1uhw h VAL 43 Ca -0.03 0.00 0.17 0.00 -1.23 0.00 0.00 66.70 65.61 1uhw h VAL 43 Cb 1.02 0.19 -0.04 0.00 -2.13 0.00 0.00 31.29 30.33 1uhw h VAL 43 CO 0.05 0.00 0.48 0.40 -1.23 0.00 0.00 177.57 177.27 1uhw h ILE 44 N -0.29 0.72 -0.39 7.19 2.04 -1.65 0.25 117.51 125.38 1uhw h ILE 44 Ca 0.16 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.94 1uhw h ILE 44 Cb 0.56 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1uhw h ILE 44 CO -0.54 0.03 0.13 -0.78 0.00 0.00 0.00 178.15 176.99 1uhw h ASP 45 N 0.15 0.56 0.27 1.72 1.82 0.82 0.59 116.42 122.35 1uhw h ASP 45 Ca 0.33 -0.20 -0.05 0.00 -0.39 0.00 0.00 57.03 56.72 1uhw h ASP 45 Cb 1.10 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.96 1uhw h ASP 45 CO -0.05 0.60 -0.24 -0.25 -1.61 0.00 0.00 179.24 177.69 1uhw h TRP 46 N 0.48 0.00 -0.01 0.28 7.01 0.99 1.41 115.95 126.11 1uhw h TRP 46 Ca 0.13 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.12 1uhw h TRP 46 Cb 0.24 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.30 1uhw h TRP 46 CO 0.01 0.24 -0.00 -0.07 -2.79 0.00 0.00 178.44 175.83 1uhw h LEU 47 N 0.00 0.02 -0.15 0.65 3.38 -0.12 -2.18 115.31 116.92 1uhw h LEU 47 Ca -0.00 -0.37 -0.14 0.00 0.09 0.00 0.00 57.88 57.46 1uhw h LEU 47 Cb 0.45 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1uhw h LEU 47 CO 0.03 0.38 -0.47 0.58 0.09 0.00 0.00 178.44 179.05 1uhw h VAL 48 N -0.34 1.34 -0.70 1.22 2.07 -0.47 1.20 116.25 120.58 1uhw h VAL 48 Ca 0.00 -1.75 0.14 0.00 0.82 0.00 0.00 66.70 65.92 1uhw h VAL 48 Cb 0.37 2.04 -0.13 0.00 -1.52 0.00 0.00 31.29 32.05 1uhw h VAL 48 CO 0.00 0.53 -0.17 0.28 0.02 0.00 0.00 177.57 178.23 1uhw h SER 49 N 0.22 -0.65 1.65 0.57 0.02 0.19 0.91 113.55 116.45 1uhw h SER 49 Ca -0.02 0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1uhw h SER 49 Cb 1.09 0.43 -0.01 0.00 0.14 0.00 0.00 62.40 64.06 1uhw h SER 49 CO 0.10 -0.23 -0.19 0.78 -1.14 0.00 0.00 176.83 176.15 1uhw h ASN 50 N 0.00 0.00 -1.80 3.07 2.35 -1.39 -3.48 115.58 114.32 1uhw h ASN 50 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 1uhw h ASN 50 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1uhw h ASN 50 CO -0.72 0.19 0.00 0.29 -1.65 0.00 0.00 177.43 175.54 1uhw n LYS 51 N -3.17 0.00 0.02 0.81 4.76 0.31 -4.99 118.16 115.90 1uhw n LYS 51 Ca 0.03 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.39 1uhw n LYS 51 Cb 0.57 -1.66 -0.13 0.00 -1.84 0.00 0.00 35.03 31.97 1uhw n LYS 51 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1uhw h LEU 52 N 0.00 0.00 0.00 -0.35 3.38 0.12 -3.48 115.31 114.98 1uhw h LEU 52 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1uhw h LEU 52 Cb 0.77 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 1uhw h LEU 52 CO 0.00 0.98 -0.14 1.33 0.09 0.00 0.00 178.44 180.70 1uhw n VAL 53 N -3.18 0.00 -0.04 1.22 0.24 -1.26 -5.04 118.33 110.27 1uhw n VAL 53 Ca -0.09 -0.72 -0.03 0.00 -2.04 0.00 0.00 64.34 61.46 1uhw n VAL 53 Cb 0.99 0.21 -0.14 0.00 -1.47 0.00 0.00 33.84 33.43 1uhw n VAL 53 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1uhw n ARG 54 N -0.32 0.66 -3.62 7.34 5.12 -1.26 -4.89 116.66 119.68 1uhw n ARG 54 Ca -0.04 0.02 -0.13 0.00 -1.93 0.00 0.00 57.85 55.78 1uhw n ARG 54 Cb 0.19 -1.61 -0.06 0.00 -1.16 0.00 0.00 32.46 29.82 1uhw n ARG 54 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1uhw s ASN 55 N -5.38 -0.35 0.27 0.55 0.01 -1.26 -5.04 114.94 103.74 1uhw s ASN 55 Ca -0.07 0.07 -0.02 0.00 -0.71 0.00 0.00 52.86 52.13 1uhw s ASN 55 Cb 0.09 0.45 0.60 0.00 0.41 0.00 0.00 41.25 42.80 1uhw s ASN 55 CO 0.84 -0.69 1.64 0.03 -1.51 0.00 0.00 177.10 177.41 1uhw h ARG 56 N 2.90 0.15 -0.41 -0.60 2.47 -1.94 -0.87 114.38 116.07 1uhw h ARG 56 Ca -0.31 -0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.44 1uhw h ARG 56 Cb 1.21 -0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 29.43 1uhw h ARG 56 CO 0.42 0.10 -0.41 0.37 0.56 0.00 0.00 179.97 181.01 1uhw h GLN 57 N 0.15 -0.20 -0.93 0.04 4.15 -1.97 0.19 115.11 116.54 1uhw h GLN 57 Ca 0.50 0.01 0.24 0.00 0.77 0.00 0.00 58.65 60.17 1uhw h GLN 57 Cb 0.97 0.05 -0.17 0.00 0.21 0.00 0.00 27.48 28.53 1uhw h GLN 57 CO -0.68 -0.13 0.00 0.93 -1.93 0.00 0.00 178.83 177.01 1uhw h GLU 58 N -0.21 0.04 -0.96 1.69 5.08 -1.57 1.18 114.58 119.83 1uhw h GLU 58 Ca 0.07 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.51 1uhw h GLU 58 Cb 0.39 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.56 1uhw h GLU 58 CO -0.50 0.03 0.61 0.78 -1.00 0.00 0.00 179.01 178.92 1uhw h GLY 59 N 0.04 1.48 0.25 -3.84 0.00 -0.50 -0.34 103.07 100.17 1uhw h GLY 59 Ca 0.54 -0.43 0.03 0.00 0.00 0.00 0.00 47.33 47.46 1uhw h GLY 59 CO -0.86 0.27 -0.39 -2.00 0.00 0.00 0.00 176.54 173.56 1uhw h LEU 60 N 1.07 -1.16 0.41 3.11 7.12 0.28 0.96 115.31 127.09 1uhw h LEU 60 Ca 0.43 0.14 -0.01 0.00 0.13 0.00 0.00 57.88 58.57 1uhw h LEU 60 Cb 0.25 0.45 -0.01 0.00 -0.53 0.00 0.00 40.66 40.82 1uhw h LEU 60 CO -0.20 -0.45 -0.27 0.24 -0.13 0.00 0.00 178.44 177.63 1uhw h MET 61 N -0.58 -0.64 -0.23 1.25 0.00 -1.06 -2.75 114.93 110.92 1uhw h MET 61 Ca 0.04 0.04 0.06 0.00 0.00 0.00 0.00 59.70 59.84 1uhw h MET 61 Cb 0.64 0.14 -0.07 0.00 0.00 0.00 0.00 31.60 32.31 1uhw h MET 61 CO -0.27 -0.43 -0.31 0.82 0.00 0.00 0.00 176.91 176.73 1uhw h ILE 62 N -0.66 0.29 -0.89 -1.22 1.08 -0.77 -1.52 117.51 113.82 1uhw h ILE 62 Ca -0.04 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.54 1uhw h ILE 62 Cb 0.56 0.29 -0.13 0.00 -3.07 0.00 0.00 36.82 34.46 1uhw h ILE 62 CO 0.03 0.00 -0.42 -1.20 -0.69 0.00 0.00 178.15 175.87 1uhw n SER 63 N -5.41 -0.72 -0.32 1.72 7.64 0.33 0.14 113.62 117.00 1uhw n SER 63 Ca -0.01 1.56 0.02 0.00 1.01 0.00 0.00 58.87 61.45 1uhw n SER 63 Cb 0.32 -0.29 0.09 0.00 -1.01 0.00 0.00 64.21 63.32 1uhw n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uhw h ALA 64 N 0.91 0.44 -0.94 -0.43 0.00 -0.99 1.61 119.26 119.86 1uhw h ALA 64 Ca 0.24 0.32 0.19 0.00 0.00 0.00 0.00 54.91 55.67 1uhw h ALA 64 Cb 0.46 0.77 -0.11 0.00 0.00 0.00 0.00 17.79 18.91 1uhw h ALA 64 CO -0.86 -0.47 0.52 1.03 0.00 0.00 0.00 179.25 179.47 1uhw h SER 65 N -0.02 0.61 0.40 0.00 0.87 0.13 1.27 113.55 116.82 1uhw h SER 65 Ca 0.40 0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 61.05 1uhw h SER 65 Cb 0.64 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1uhw h SER 65 CO -0.92 0.18 -0.19 -0.07 -0.53 0.00 0.00 176.83 175.29 1uhw h LEU 66 N 0.62 -0.45 0.11 2.23 -0.00 0.27 -2.67 115.31 115.42 1uhw h LEU 66 Ca 0.56 -0.12 0.02 0.00 -0.00 0.00 0.00 57.88 58.33 1uhw h LEU 66 Cb 0.93 0.12 -0.04 0.00 -0.00 0.00 0.00 40.66 41.66 1uhw h LEU 66 CO -0.42 -0.06 -0.39 0.25 -0.00 0.00 0.00 178.44 177.82 1uhw h LEU 67 N -0.92 -1.14 -0.23 1.67 5.85 0.49 -1.65 115.31 119.38 1uhw h LEU 67 Ca -0.05 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1uhw h LEU 67 Cb 0.55 0.43 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1uhw h LEU 67 CO 0.09 -0.46 -0.13 -1.20 -0.34 0.00 0.00 178.44 176.39 1uhw n SER 68 N -5.45 -0.24 -0.42 1.25 7.64 0.43 0.18 113.62 117.00 1uhw n SER 68 Ca -0.07 1.11 0.37 0.00 1.01 0.00 0.00 58.87 61.29 1uhw n SER 68 Cb 0.36 -0.41 0.64 0.00 -1.01 0.00 0.00 64.21 63.80 1uhw n SER 68 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1uhw h GLU 69 N 0.00 0.03 0.00 1.43 4.39 -1.24 -3.43 114.58 115.76 1uhw h GLU 69 Ca 0.04 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1uhw h GLU 69 Cb 0.09 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1uhw h GLU 69 CO -0.21 0.02 0.00 0.41 -1.16 0.00 0.00 179.01 178.07 1uhw n GLY 70 N -1.44 1.44 0.26 -3.84 0.00 0.47 -4.99 105.19 97.08 1uhw n GLY 70 Ca 0.39 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.54 1uhw n GLY 70 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1uhw h TYR 71 N 0.00 0.00 -3.30 1.61 0.05 -1.37 -3.40 116.97 110.56 1uhw h TYR 71 Ca 0.00 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 58.22 1uhw h TYR 71 Cb 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 36.73 37.37 1uhw h TYR 71 CO 0.00 0.13 -0.80 -0.51 -1.05 0.00 0.00 178.16 175.94 1uhw s LEU 72 N -6.86 1.61 0.10 3.88 1.43 -1.26 -4.18 118.68 113.41 1uhw s LEU 72 Ca -0.01 -0.62 -0.22 0.00 -1.03 0.00 0.00 54.13 52.26 1uhw s LEU 72 Cb 0.11 -0.95 -0.07 0.00 0.03 0.00 0.00 46.19 45.31 1uhw s LEU 72 CO 0.59 -0.16 0.65 -1.10 0.23 0.00 0.00 176.35 176.55 1uhw s GLN 73 N 1.61 4.35 0.41 1.70 -1.52 0.17 -4.68 119.66 121.70 1uhw s GLN 73 Ca 0.01 0.90 -0.24 0.00 -1.95 0.00 0.00 55.36 54.08 1uhw s GLN 73 Cb -0.15 -3.26 -0.09 0.00 -0.22 0.00 0.00 33.01 29.30 1uhw s GLN 73 CO -0.08 0.59 1.05 -1.25 -0.25 0.00 0.00 175.29 175.35 1uhw s PRO 74 N -1.02 4.12 -0.28 2.91 0.04 -1.26 -1.56 135.00 137.95 1uhw s PRO 74 Ca 0.32 1.51 -0.03 0.00 0.04 0.00 0.00 61.00 62.84 1uhw s PRO 74 Cb -0.21 -2.50 0.09 0.00 0.04 0.00 0.00 34.50 31.93 1uhw s PRO 74 CO 0.22 -0.18 0.11 0.00 0.04 0.00 0.00 177.00 177.19 1uhw s ALA 75 N -1.68 0.88 0.00 8.56 0.00 -0.88 -4.92 121.76 123.73 1uhw s ALA 75 Ca 0.59 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1uhw s ALA 75 Cb -0.22 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1uhw s ALA 75 CO 0.27 -1.58 0.00 0.41 0.00 0.00 0.00 175.76 174.86 1uhw n GLY 76 N 5.13 0.60 0.00 0.00 0.00 -1.26 -4.23 105.19 105.42 1uhw n GLY 76 Ca -0.05 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1uhw n GLY 76 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uhw n ASP 77 N -0.62 -1.47 0.00 1.61 8.00 -1.26 -2.67 116.55 120.14 1uhw n ASP 77 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1uhw n ASP 77 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1uhw n ASP 77 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1uhw n LEU 78 N 0.00 0.00 0.02 0.64 4.77 -1.26 -3.71 117.00 117.46 1uhw n LEU 78 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1uhw n LEU 78 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1uhw n LEU 78 CO 0.00 0.00 0.81 0.28 -1.33 0.00 0.00 177.39 177.15 1uhw h SER 79 N 0.00 0.03 0.16 -1.43 0.02 -1.90 -2.12 113.55 108.30 1uhw h SER 79 Ca 0.00 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1uhw h SER 79 Cb 0.00 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 1uhw h SER 79 CO 0.00 0.16 -0.24 0.50 -1.14 0.00 0.00 176.83 176.11 1uhw h LYS 80 N -0.10 -0.45 -1.02 3.45 3.64 -1.59 0.84 116.57 121.35 1uhw h LYS 80 Ca 0.01 0.03 0.30 0.00 -1.27 0.00 0.00 60.65 59.71 1uhw h LYS 80 Cb 0.14 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 1uhw h LYS 80 CO -0.00 -0.30 0.79 -0.91 -2.27 0.00 0.00 179.45 176.76 1uhw h ASN 81 N -0.47 0.00 0.54 4.20 4.21 -1.81 0.32 115.58 122.58 1uhw h ASN 81 Ca 0.02 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.50 1uhw h ASN 81 Cb 0.47 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.68 1uhw h ASN 81 CO -0.11 0.00 -0.26 0.00 -1.29 0.00 0.00 177.43 175.77 1uhw h ALA 82 N 1.38 -0.94 -0.25 -0.83 0.00 -0.14 -2.59 119.26 115.89 1uhw h ALA 82 Ca 0.48 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.31 1uhw h ALA 82 Cb 2.05 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 20.12 1uhw h ALA 82 CO -0.01 -0.89 0.47 0.00 0.00 0.00 0.00 179.25 178.83 1uhw h ALA 83 N -1.48 1.82 -0.11 0.00 0.00 -0.54 -1.90 119.26 117.06 1uhw h ALA 83 Ca -0.07 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1uhw h ALA 83 Cb 0.56 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1uhw h ALA 83 CO 0.12 -0.60 -0.25 0.22 0.00 0.00 0.00 179.25 178.74 1uhw h ASP 84 N 0.00 -0.82 0.00 0.00 1.82 -0.74 -3.45 116.42 113.24 1uhw h ASP 84 Ca 0.12 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.86 1uhw h ASP 84 Cb 1.06 0.33 0.00 0.00 0.68 0.00 0.00 39.33 41.40 1uhw h ASP 84 CO -0.00 -0.21 0.00 0.61 -1.61 0.00 0.00 179.24 178.03 1uhw n GLY 85 N -1.19 0.00 0.00 -0.78 0.00 -0.72 -5.10 105.19 97.40 1uhw n GLY 85 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1uhw n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1uhw n ILE 86 N 0.00 0.00 -0.50 -0.61 5.41 -1.18 -5.02 119.36 117.46 1uhw n ILE 86 Ca 0.00 0.82 0.00 0.00 1.00 0.00 0.00 62.75 64.57 1uhw n ILE 86 Cb 0.00 -1.64 0.00 0.00 -0.71 0.00 0.00 39.64 37.29 1uhw n ILE 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1uhw n ALA 87 N -0.54 0.00 -0.39 -1.39 0.00 -1.26 -5.02 120.51 111.92 1uhw n ALA 87 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1uhw n ALA 87 Cb 0.00 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.78 1uhw n ALA 87 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1uhw n GLU 88 N 0.00 2.81 -3.72 0.00 2.13 -1.26 -4.66 120.64 115.93 1uhw n GLU 88 Ca 0.00 -2.69 -0.29 0.00 0.66 0.00 0.00 57.16 54.84 1uhw n GLU 88 Cb 0.00 -1.60 -0.13 0.00 0.27 0.00 0.00 31.44 29.98 1uhw n GLU 88 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1uhw s ASN 89 N -0.99 3.63 0.42 4.31 -0.87 -1.26 -4.93 114.94 115.26 1uhw s ASN 89 Ca 0.50 -2.95 0.23 0.00 -1.57 0.00 0.00 52.86 49.07 1uhw s ASN 89 Cb 0.26 -1.12 0.68 0.00 -0.02 0.00 0.00 41.25 41.06 1uhw s ASN 89 CO 0.33 -0.22 1.72 1.55 -2.57 0.00 0.00 177.10 177.92 1uhw h PRO 90 N 6.31 0.00 -6.17 -0.60 0.13 -1.86 -3.44 132.00 126.38 1uhw h PRO 90 Ca 0.05 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.63 1uhw h PRO 90 Cb 0.89 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.98 1uhw h PRO 90 CO 0.53 0.20 0.23 0.12 -0.23 0.00 0.00 178.00 178.85 1uhw s PHE 91 N -3.41 3.59 -0.37 1.56 5.36 -1.26 -4.46 117.98 118.98 1uhw s PHE 91 Ca 0.03 1.42 -0.10 0.00 -0.96 0.00 0.00 56.93 57.32 1uhw s PHE 91 Cb 0.08 -2.95 0.04 0.00 -0.34 0.00 0.00 43.02 39.85 1uhw s PHE 91 CO 0.65 0.02 0.20 -0.51 -1.46 0.00 0.00 175.22 174.11 1uhw s LEU 92 N 1.02 4.71 -0.59 6.12 1.02 -1.26 -4.95 118.68 124.76 1uhw s LEU 92 Ca 0.43 -1.08 -0.23 0.00 0.02 0.00 0.00 54.13 53.28 1uhw s LEU 92 Cb -0.19 -2.00 -0.20 0.00 0.02 0.00 0.00 46.19 43.83 1uhw s LEU 92 CO 0.21 -0.40 1.84 -0.67 0.02 0.00 0.00 176.35 177.36 1uhw n ASP 93 N 4.96 2.26 -3.83 2.29 2.03 -1.26 -4.28 116.55 118.73 1uhw n ASP 93 Ca -0.12 -2.60 -0.11 0.00 0.52 0.00 0.00 54.79 52.48 1uhw n ASP 93 Cb 0.45 -0.96 -0.09 0.00 -0.72 0.00 0.00 41.12 39.80 1uhw n ASP 93 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1uhw s SER 94 N 5.34 -0.03 0.03 1.67 0.15 -1.26 -4.67 113.70 114.94 1uhw s SER 94 Ca 0.58 -0.22 0.22 0.00 0.70 0.00 0.00 55.95 57.23 1uhw s SER 94 Cb 0.14 0.28 0.93 0.00 -1.71 0.00 0.00 66.02 65.65 1uhw s SER 94 CO 0.16 -0.49 1.70 -0.81 1.20 0.00 0.00 173.24 175.00 1uhw n PRO 95 N 0.98 0.03 -0.04 5.44 -0.04 -1.26 -1.58 135.00 138.53 1uhw n PRO 95 Ca -0.20 0.15 -0.13 0.00 -0.04 0.00 0.00 63.50 63.27 1uhw n PRO 95 Cb 0.57 -1.54 -0.11 0.00 -0.04 0.00 0.00 33.50 32.38 1uhw n PRO 95 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1uhw h ASP 96 N 0.00 -0.01 -2.32 3.54 1.82 -1.95 -3.43 116.42 114.07 1uhw h ASP 96 Ca 0.00 -0.74 -0.56 0.00 -0.39 0.00 0.00 57.03 55.34 1uhw h ASP 96 Cb 0.40 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.41 1uhw h ASP 96 CO 0.00 0.75 1.30 0.00 -1.61 0.00 0.00 179.24 179.68 1uhw s ALA 97 N -3.15 3.24 -0.10 -0.78 0.00 -1.19 -4.96 121.76 114.82 1uhw s ALA 97 Ca -0.17 0.98 -0.04 0.00 0.00 0.00 0.00 51.96 52.73 1uhw s ALA 97 Cb -0.01 -3.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.15 1uhw s ALA 97 CO 0.66 -2.04 0.06 -0.06 0.00 0.00 0.00 175.76 174.38 1uhw s PHE 98 N 5.87 3.34 0.02 0.00 0.08 -1.26 -1.77 117.98 124.27 1uhw s PHE 98 Ca 0.89 0.33 0.00 0.00 0.12 0.00 0.00 56.93 58.27 1uhw s PHE 98 Cb -0.36 -1.85 -0.02 0.00 -0.57 0.00 0.00 43.02 40.22 1uhw s PHE 98 CO 0.37 0.58 -0.04 0.71 -0.10 0.00 0.00 175.22 176.74 1uhw s TYR 99 N -0.93 0.33 0.03 0.36 2.02 -1.22 -2.07 117.35 115.86 1uhw s TYR 99 Ca 0.14 -0.53 -0.02 0.00 -0.37 0.00 0.00 57.07 56.29 1uhw s TYR 99 Cb -0.12 -0.22 -0.02 0.00 -0.40 0.00 0.00 41.96 41.20 1uhw s TYR 99 CO 0.03 -0.17 0.02 1.52 -1.57 0.00 0.00 175.55 175.37 1uhw s TYR 100 N -1.45 0.28 0.35 2.71 -0.85 -0.60 0.11 117.35 117.90 1uhw s TYR 100 Ca -0.15 -0.61 -0.26 0.00 -0.52 0.00 0.00 57.07 55.53 1uhw s TYR 100 Cb -0.10 -0.21 -0.09 0.00 0.38 0.00 0.00 41.96 41.94 1uhw s TYR 100 CO -0.01 -0.28 1.05 -0.06 -1.52 0.00 0.00 175.55 174.73 1uhw s PHE 101 N -2.28 3.44 -1.15 -3.49 0.08 -1.26 0.43 117.98 113.75 1uhw s PHE 101 Ca -0.08 1.69 -0.19 0.00 0.12 0.00 0.00 56.93 58.47 1uhw s PHE 101 Cb -0.04 -3.15 -0.05 0.00 -0.57 0.00 0.00 43.02 39.22 1uhw s PHE 101 CO -0.04 -0.47 1.99 -0.35 -0.10 0.00 0.00 175.22 176.26 1uhw n PRO 102 N 0.45 2.23 0.00 0.24 -0.04 -1.26 -0.84 135.00 135.79 1uhw n PRO 102 Ca 0.02 -2.43 0.00 0.00 -0.04 0.00 0.00 63.50 61.05 1uhw n PRO 102 Cb 0.48 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.67 1uhw n PRO 102 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1uhw n ASP 103 N 8.35 0.00 -0.06 3.54 8.00 -1.26 -4.96 116.55 130.16 1uhw n ASP 103 Ca 0.49 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.83 1uhw n ASP 103 Cb 0.42 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.38 1uhw n ASP 103 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1uhw n SER 104 N 0.00 1.60 -2.87 -2.24 7.64 -1.02 -4.97 113.62 111.76 1uhw n SER 104 Ca 0.00 0.08 -0.01 0.00 1.01 0.00 0.00 58.87 59.94 1uhw n SER 104 Cb 0.00 -0.32 0.01 0.00 -1.01 0.00 0.00 64.21 62.89 1uhw n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uhw n GLY 105 N 2.00 -3.35 3.78 0.23 0.00 -0.02 -4.75 105.19 103.08 1uhw n GLY 105 Ca -0.35 -1.30 -0.37 0.00 0.00 0.00 0.00 46.02 44.00 1uhw n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uhw s PRO 106 N -3.10 4.21 0.64 1.61 0.04 -1.20 -4.95 135.00 132.25 1uhw s PRO 106 Ca 0.03 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 62.51 1uhw s PRO 106 Cb -0.00 -2.62 -0.02 0.00 0.04 0.00 0.00 34.50 31.89 1uhw s PRO 106 CO 0.02 -0.11 1.04 -1.54 0.04 0.00 0.00 177.00 176.46 1uhw s SER 107 N -1.48 5.96 0.53 6.66 1.04 -1.26 -4.87 113.70 120.29 1uhw s SER 107 Ca 0.56 1.47 0.00 0.00 0.48 0.00 0.00 55.95 58.46 1uhw s SER 107 Cb -0.23 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1uhw s SER 107 CO 0.29 -1.05 0.00 -0.24 0.98 0.00 0.00 173.24 173.22 1uhw n SER 108 N -2.87 -7.66 0.00 7.02 2.88 -1.26 -5.18 113.62 106.55 1uhw n SER 108 Ca 0.06 1.67 0.00 0.00 -1.33 0.00 0.00 58.87 59.27 1uhw n SER 108 Cb 0.54 -4.48 0.00 0.00 -0.75 0.00 0.00 64.21 59.52 1uhw n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42