#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uca n ASP 2 N 0.00 0.95 -3.64 5.98 5.68 0.13 -4.91 116.55 120.75 1uca n ASP 2 Ca 0.00 -0.98 0.00 0.00 -0.50 0.00 0.00 54.79 53.32 1uca n ASP 2 Cb 0.00 0.40 0.01 0.00 -1.14 0.00 0.00 41.12 40.39 1uca n ASP 2 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1uca s SER 3 N -0.83 -0.02 0.06 -1.12 1.04 -1.22 -3.26 113.70 108.36 1uca s SER 3 Ca 0.04 -0.34 0.04 0.00 0.48 0.00 0.00 55.95 56.18 1uca s SER 3 Cb 0.04 0.27 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 1uca s SER 3 CO 0.11 -0.54 -0.12 -0.36 0.98 0.00 0.00 173.24 173.31 1uca s PHE 4 N -2.22 1.07 -0.27 5.02 0.40 0.12 -0.30 117.98 121.81 1uca s PHE 4 Ca 0.23 -0.47 -0.03 0.00 -0.60 0.00 0.00 56.93 56.06 1uca s PHE 4 Cb -0.00 -0.61 0.02 0.00 0.51 0.00 0.00 43.02 42.94 1uca s PHE 4 CO 0.01 0.02 -0.01 -1.58 0.70 0.00 0.00 175.22 174.36 1uca s TRP 5 N -1.29 3.11 -0.42 0.36 0.52 -0.40 -1.35 118.94 119.45 1uca s TRP 5 Ca -0.04 -1.37 -0.16 0.00 0.02 0.00 0.00 56.10 54.55 1uca s TRP 5 Cb -0.10 -2.13 0.03 0.00 -1.15 0.00 0.00 33.47 30.12 1uca s TRP 5 CO 0.02 -0.68 0.37 0.12 0.02 0.00 0.00 176.95 176.80 1uca s PHE 6 N 1.38 3.21 -0.25 -1.98 5.36 0.15 -0.56 117.98 125.29 1uca s PHE 6 Ca 0.01 -0.54 -0.09 0.00 -0.96 0.00 0.00 56.93 55.35 1uca s PHE 6 Cb -0.17 -2.79 -0.04 0.00 -0.34 0.00 0.00 43.02 39.67 1uca s PHE 6 CO -0.02 -0.67 0.12 0.08 -1.46 0.00 0.00 175.22 173.27 1uca s VAL 7 N 1.88 4.85 0.03 3.12 1.01 -0.01 -1.21 120.40 130.07 1uca s VAL 7 Ca 0.08 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.11 1uca s VAL 7 Cb -0.19 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1uca s VAL 7 CO 0.11 0.33 -0.07 -1.10 0.00 0.00 0.00 175.10 174.37 1uca s GLN 8 N 1.38 2.47 0.14 2.72 -0.21 -0.47 -0.54 119.66 125.15 1uca s GLN 8 Ca 0.06 -0.78 0.11 0.00 0.02 0.00 0.00 55.36 54.76 1uca s GLN 8 Cb -0.15 -2.46 -0.04 0.00 1.00 0.00 0.00 33.01 31.36 1uca s GLN 8 CO 0.06 0.58 -0.26 1.14 -2.12 0.00 0.00 175.29 174.69 1uca s GLN 9 N -1.60 1.39 -0.55 2.91 -2.07 0.23 -1.21 119.66 118.76 1uca s GLN 9 Ca 0.18 -1.37 -0.17 0.00 -1.82 0.00 0.00 55.36 52.19 1uca s GLN 9 Cb -0.11 -1.83 0.11 0.00 -1.09 0.00 0.00 33.01 30.09 1uca s GLN 9 CO 0.09 0.42 0.55 -0.46 -1.32 0.00 0.00 175.29 174.57 1uca s TRP 10 N -1.21 3.18 0.22 9.60 -0.00 0.07 -1.73 118.94 129.07 1uca s TRP 10 Ca 0.15 -1.14 -0.14 0.00 -0.00 0.00 0.00 56.10 54.96 1uca s TRP 10 Cb -0.10 -3.78 0.27 0.00 -0.00 0.00 0.00 33.47 29.86 1uca s TRP 10 CO 0.07 -1.07 1.59 -1.35 -0.00 0.00 0.00 176.95 176.19 1uca h PRO 11 N 8.96 -0.04 -0.88 5.86 0.11 -1.84 -1.94 132.00 142.23 1uca h PRO 11 Ca -0.30 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.88 1uca h PRO 11 Cb 1.10 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 1uca h PRO 11 CO 1.04 -0.03 0.55 -1.35 -0.21 0.00 0.00 178.00 178.00 1uca h PRO 12 N -0.04 0.97 -0.22 1.05 0.11 -1.72 -0.80 132.00 131.35 1uca h PRO 12 Ca 0.34 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.32 1uca h PRO 12 Cb 0.57 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1uca h PRO 12 CO -0.79 0.64 -0.11 0.00 -0.21 0.00 0.00 178.00 177.53 1uca h ALA 13 N 1.41 0.31 -0.35 -0.75 0.00 -1.74 -1.22 119.26 116.92 1uca h ALA 13 Ca 0.38 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1uca h ALA 13 Cb 0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1uca h ALA 13 CO -0.17 0.15 0.13 0.28 0.00 0.00 0.00 179.25 179.64 1uca h VAL 14 N 0.17 0.91 0.00 0.00 2.07 -0.98 -2.08 116.25 116.34 1uca h VAL 14 Ca 0.05 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1uca h VAL 14 Cb 0.60 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1uca h VAL 14 CO 0.03 0.05 -0.01 0.00 0.02 0.00 0.00 177.57 177.66 1uca h SER 16 N 0.00 0.00 0.52 0.00 4.64 -0.48 -0.28 113.55 117.96 1uca h SER 16 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uca h SER 16 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1uca h SER 16 CO 0.00 0.05 -0.11 0.49 -0.87 0.00 0.00 176.83 176.38 1uca n PHE 17 N -3.57 0.00 -3.18 4.77 3.01 -1.12 -4.46 117.46 112.92 1uca n PHE 17 Ca -0.02 0.00 -0.46 0.00 1.01 0.00 0.00 57.45 57.98 1uca n PHE 17 Cb 0.15 -0.26 -0.02 0.00 -0.01 0.00 0.00 39.48 39.34 1uca n PHE 17 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1uca s GLN 18 N -2.64 3.62 0.00 -1.08 -1.52 -0.12 -4.86 119.66 113.07 1uca s GLN 18 Ca 0.24 -2.22 0.27 0.00 -1.95 0.00 0.00 55.36 51.70 1uca s GLN 18 Cb 0.20 -4.62 1.42 0.00 -0.22 0.00 0.00 33.01 29.79 1uca s GLN 18 CO 0.51 -1.47 1.93 1.63 -0.25 0.00 0.00 175.29 177.63 1uca n LYS 19 N 4.91 0.51 -3.83 2.91 4.76 -1.26 -4.75 118.16 121.41 1uca n LYS 19 Ca 0.18 0.03 -0.13 0.00 -2.87 0.00 0.00 58.31 55.52 1uca n LYS 19 Cb 0.48 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 32.03 1uca n LYS 19 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1uca s SER 20 N -2.42 -0.07 0.00 4.39 0.15 -1.26 -5.12 113.70 109.37 1uca s SER 20 Ca 0.29 0.16 0.00 0.00 0.70 0.00 0.00 55.95 57.11 1uca s SER 20 Cb 0.18 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1uca s SER 20 CO 0.38 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.38 1uca n GLY 21 N 3.28 -0.77 3.87 9.45 0.00 -1.26 -4.97 105.19 114.78 1uca n GLY 21 Ca -0.15 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 1uca n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uca s SER 22 N -1.90 6.35 -0.31 1.61 1.04 -1.26 -5.07 113.70 114.16 1uca s SER 22 Ca 0.00 1.40 0.06 0.00 0.48 0.00 0.00 55.95 57.89 1uca s SER 22 Cb 0.00 -2.45 0.19 0.00 0.10 0.00 0.00 66.02 63.86 1uca s SER 22 CO 0.00 -0.75 0.57 0.00 0.98 0.00 0.00 173.24 174.04 1uca h PRO 24 N 7.83 0.19 0.00 0.00 0.11 -1.74 -1.01 132.00 137.38 1uca h PRO 24 Ca -0.01 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1uca h PRO 24 Cb 1.18 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1uca h PRO 24 CO 0.16 0.12 -0.00 0.78 -0.21 0.00 0.00 178.00 178.85 1uca h GLY 25 N 0.19 0.00 1.87 -0.55 0.00 -0.99 -2.64 103.07 100.95 1uca h GLY 25 Ca 0.62 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.96 1uca h GLY 25 CO -0.19 0.00 0.06 1.76 0.00 0.00 0.00 176.54 178.16 1uca h SER 26 N 0.00 0.00 -0.45 0.19 0.02 -1.39 -2.48 113.55 109.44 1uca h SER 26 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1uca h SER 26 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1uca h SER 26 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1uca n GLY 27 N -1.22 3.14 3.76 -3.77 0.00 -0.99 -4.80 105.19 101.31 1uca n GLY 27 Ca -0.02 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 1uca n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uca s LEU 28 N -1.92 3.82 -0.20 0.99 1.43 -0.94 -5.03 118.68 116.82 1uca s LEU 28 Ca 0.41 0.13 0.14 0.00 -1.03 0.00 0.00 54.13 53.78 1uca s LEU 28 Cb 0.28 -2.19 0.44 0.00 0.03 0.00 0.00 46.19 44.75 1uca s LEU 28 CO 0.17 0.28 1.19 0.54 0.23 0.00 0.00 176.35 178.77 1uca n ARG 29 N 1.30 1.92 -3.91 1.70 5.12 -1.26 -4.24 116.66 117.30 1uca n ARG 29 Ca -0.14 -3.36 -0.09 0.00 -1.93 0.00 0.00 57.85 52.34 1uca n ARG 29 Cb 0.53 -1.53 -0.08 0.00 -1.16 0.00 0.00 32.46 30.23 1uca n ARG 29 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1uca s THR 30 N -3.14 0.15 0.24 0.55 -1.32 -1.26 -5.12 115.64 105.73 1uca s THR 30 Ca 0.40 -1.31 -0.30 0.00 -1.21 0.00 0.00 61.69 59.27 1uca s THR 30 Cb 0.38 -1.43 -0.09 0.00 -1.51 0.00 0.00 72.50 69.85 1uca s THR 30 CO -0.05 -0.66 1.08 -0.36 -2.21 0.00 0.00 174.62 172.42 1uca s PHE 31 N -3.88 3.63 0.34 9.09 0.40 -1.26 -4.42 117.98 121.87 1uca s PHE 31 Ca 0.07 1.68 0.07 0.00 -0.60 0.00 0.00 56.93 58.15 1uca s PHE 31 Cb 0.05 -3.25 -0.07 0.00 0.51 0.00 0.00 43.02 40.27 1uca s PHE 31 CO -0.09 -0.47 -0.04 0.95 0.70 0.00 0.00 175.22 176.27 1uca s THR 32 N -0.82 1.86 0.07 0.64 -4.23 -0.71 -4.93 115.64 107.53 1uca s THR 32 Ca 0.46 -2.10 -0.30 0.00 -1.18 0.00 0.00 61.69 58.56 1uca s THR 32 Cb -0.30 -2.70 -0.05 0.00 1.34 0.00 0.00 72.50 70.79 1uca s THR 32 CO 0.38 -0.15 1.09 -0.63 -0.54 0.00 0.00 174.62 174.76 1uca s ILE 33 N -2.84 4.31 -0.22 2.99 1.01 -0.06 -0.60 121.20 125.78 1uca s ILE 33 Ca 0.33 1.74 -0.16 0.00 0.00 0.00 0.00 60.65 62.56 1uca s ILE 33 Cb 0.06 -4.11 -0.11 0.00 0.01 0.00 0.00 42.46 38.30 1uca s ILE 33 CO 0.15 0.18 -0.21 1.57 0.00 0.00 0.00 174.94 176.63 1uca n HIS 34 N 3.49 0.33 -3.74 3.97 -0.00 0.30 -4.70 115.22 114.87 1uca n HIS 34 Ca 0.06 0.14 0.02 0.00 -0.00 0.00 0.00 57.72 57.95 1uca n HIS 34 Cb 0.48 -0.87 0.00 0.00 -0.00 0.00 0.00 29.99 29.60 1uca n HIS 34 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1uca s GLY 35 N -5.07 -0.32 -0.29 1.57 0.00 -1.02 -5.01 107.32 97.18 1uca s GLY 35 Ca -0.31 0.49 0.03 0.00 0.00 0.00 0.00 44.72 44.92 1uca s GLY 35 CO 0.46 1.94 -0.03 -2.27 0.00 0.00 0.00 173.10 173.20 1uca s LEU 36 N -3.26 3.70 -0.31 0.66 2.96 -1.26 -0.83 118.68 120.33 1uca s LEU 36 Ca 0.19 -1.64 -0.07 0.00 -0.22 0.00 0.00 54.13 52.39 1uca s LEU 36 Cb 0.03 -1.48 0.02 0.00 0.50 0.00 0.00 46.19 45.26 1uca s LEU 36 CO -0.03 -0.28 0.11 0.26 -1.32 0.00 0.00 176.35 175.09 1uca s TRP 37 N 1.11 3.18 0.44 5.38 0.51 0.28 -4.58 118.94 125.26 1uca s TRP 37 Ca -0.01 -1.03 -0.25 0.00 -2.12 0.00 0.00 56.10 52.70 1uca s TRP 37 Cb -0.19 -2.29 -0.08 0.00 -0.81 0.00 0.00 33.47 30.10 1uca s TRP 37 CO -0.07 -0.60 1.36 -2.14 -0.51 0.00 0.00 176.95 174.98 1uca s PRO 38 N 1.50 3.76 0.24 4.98 0.02 -1.26 -1.28 135.00 142.95 1uca s PRO 38 Ca 0.02 2.26 0.12 0.00 0.02 0.00 0.00 61.00 63.41 1uca s PRO 38 Cb -0.18 -2.65 -0.05 0.00 0.02 0.00 0.00 34.50 31.64 1uca s PRO 38 CO 0.03 -0.70 -0.22 -0.65 -0.33 0.00 0.00 177.00 175.14 1uca s GLN 39 N -2.41 1.58 -0.22 5.54 -1.52 0.60 -1.76 119.66 121.46 1uca s GLN 39 Ca 0.60 -1.64 -0.05 0.00 -1.95 0.00 0.00 55.36 52.32 1uca s GLN 39 Cb -0.40 -1.77 0.11 0.00 -0.22 0.00 0.00 33.01 30.73 1uca s GLN 39 CO 0.51 0.36 0.42 -1.14 -0.25 0.00 0.00 175.29 175.19 1uca s GLN 40 N -3.11 0.35 -1.48 2.91 2.00 0.55 -0.69 119.66 120.19 1uca s GLN 40 Ca 0.25 0.86 -0.11 0.00 -2.00 0.00 0.00 55.36 54.36 1uca s GLN 40 Cb -0.06 0.07 0.06 0.00 0.80 0.00 0.00 33.01 33.87 1uca s GLN 40 CO 0.12 -0.41 0.95 0.43 -0.50 0.00 0.00 175.29 175.88 1uca n SER 41 N 5.39 -5.25 0.00 6.67 7.64 -1.26 -2.09 113.62 124.72 1uca n SER 41 Ca -0.06 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.18 1uca n SER 41 Cb 0.50 -4.19 0.00 0.00 -1.01 0.00 0.00 64.21 59.51 1uca n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uca n GLY 42 N -1.70 0.60 3.11 0.23 0.00 -1.26 -5.05 105.19 101.12 1uca n GLY 42 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1uca n GLY 42 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1uca s THR 43 N -2.01 0.63 0.03 2.61 -1.32 -0.89 -5.13 115.64 109.56 1uca s THR 43 Ca 0.00 -1.38 -0.30 0.00 -1.21 0.00 0.00 61.69 58.80 1uca s THR 43 Cb 0.00 -0.99 -0.04 0.00 -1.51 0.00 0.00 72.50 69.96 1uca s THR 43 CO 0.00 -0.53 0.98 -0.44 -2.21 0.00 0.00 174.62 172.42 1uca s SER 44 N -2.08 7.39 -0.15 8.08 0.01 -1.26 -0.33 113.70 125.37 1uca s SER 44 Ca -0.02 1.70 -0.23 0.00 1.31 0.00 0.00 55.95 58.71 1uca s SER 44 Cb -0.05 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.58 1uca s SER 44 CO -0.01 -0.22 0.71 -0.76 0.41 0.00 0.00 173.24 173.37 1uca s LEU 45 N 0.77 4.21 0.12 2.44 1.43 -0.72 -4.92 118.68 122.01 1uca s LEU 45 Ca 0.51 1.04 0.03 0.00 -1.03 0.00 0.00 54.13 54.68 1uca s LEU 45 Cb -0.22 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 1uca s LEU 45 CO 0.28 -0.25 -0.08 0.42 0.23 0.00 0.00 176.35 176.95 1uca s THR 46 N 1.59 0.90 -1.44 5.49 -4.23 -1.26 -4.64 115.64 112.05 1uca s THR 46 Ca 0.34 -1.99 -0.04 0.00 -1.18 0.00 0.00 61.69 58.82 1uca s THR 46 Cb -0.17 -1.77 0.03 0.00 1.34 0.00 0.00 72.50 71.93 1uca s THR 46 CO 0.13 -0.80 0.61 0.59 -0.54 0.00 0.00 174.62 174.61 1uca n ASN 47 N -0.12 -1.48 -4.76 3.99 3.02 -0.16 -4.96 115.26 110.80 1uca n ASN 47 Ca -0.11 -0.93 -0.39 0.00 -0.03 0.00 0.00 54.58 53.12 1uca n ASN 47 Cb 0.61 -3.37 -0.06 0.00 -0.61 0.00 0.00 39.78 36.35 1uca n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uca s PRO 49 N -1.40 4.21 0.00 0.00 0.02 -1.26 -4.68 135.00 131.89 1uca s PRO 49 Ca 0.43 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.85 1uca s PRO 49 Cb -0.24 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.19 1uca s PRO 49 CO 0.29 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.83 1uca n GLY 50 N 2.67 1.50 3.77 0.52 0.00 -1.26 -4.91 105.19 107.47 1uca n GLY 50 Ca 0.09 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 1uca n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uca s SER 51 N -0.59 6.35 0.65 1.61 0.01 -1.26 -5.00 113.70 115.47 1uca s SER 51 Ca 0.00 2.44 -0.16 0.00 1.31 0.00 0.00 55.95 59.54 1uca s SER 51 Cb 0.00 -2.62 -0.00 0.00 0.21 0.00 0.00 66.02 63.61 1uca s SER 51 CO 0.00 -0.80 1.13 -2.84 0.41 0.00 0.00 173.24 171.14 1uca s PRO 52 N -2.37 2.79 0.23 12.44 0.02 -1.26 -4.93 135.00 141.92 1uca s PRO 52 Ca 0.59 1.50 -0.30 0.00 0.02 0.00 0.00 61.00 62.80 1uca s PRO 52 Cb -0.33 -1.94 -0.10 0.00 0.02 0.00 0.00 34.50 32.15 1uca s PRO 52 CO 0.41 -1.28 1.49 0.12 -0.33 0.00 0.00 177.00 177.41 1uca s PHE 53 N -2.16 3.00 -0.23 6.54 5.36 -1.26 -4.99 117.98 124.24 1uca s PHE 53 Ca 0.69 0.89 -0.01 0.00 -0.96 0.00 0.00 56.93 57.54 1uca s PHE 53 Cb -0.23 -3.88 0.07 0.00 -0.34 0.00 0.00 43.02 38.64 1uca s PHE 53 CO 0.39 -2.98 0.02 0.34 -1.46 0.00 0.00 175.22 171.54 1uca s ASP 54 N 0.60 3.40 0.54 6.13 -1.08 -1.26 -5.01 116.67 119.99 1uca s ASP 54 Ca 0.63 -1.08 0.21 0.00 -0.52 0.00 0.00 52.55 51.78 1uca s ASP 54 Cb -0.43 -0.82 1.44 0.00 -1.46 0.00 0.00 42.92 41.65 1uca s ASP 54 CO 0.40 -0.31 2.16 -0.29 0.52 0.00 0.00 175.17 177.66 1uca h ILE 55 N 6.56 0.83 0.00 4.11 6.09 -1.99 -2.21 117.51 130.90 1uca h ILE 55 Ca -0.16 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.30 1uca h ILE 55 Cb 1.09 0.97 -0.00 0.00 0.47 0.00 0.00 36.82 39.34 1uca h ILE 55 CO 0.38 0.00 -0.13 0.71 -3.07 0.00 0.00 178.15 176.05 1uca h THR 56 N 0.00 0.59 0.00 2.19 1.35 -2.00 -2.42 112.91 112.61 1uca h THR 56 Ca 0.03 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1uca h THR 56 Cb 0.11 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1uca h THR 56 CO -0.00 0.12 0.00 0.11 -0.25 0.00 0.00 175.52 175.50 1uca h LYS 57 N 0.00 0.00 0.00 4.72 1.57 -1.84 -3.18 116.57 117.84 1uca h LYS 57 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1uca h LYS 57 Cb 0.35 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 1uca h LYS 57 CO 0.02 0.00 -0.31 0.44 -0.57 0.00 0.00 179.45 179.03 1uca n ILE 58 N -2.69 1.44 0.05 1.86 -5.35 -0.94 -4.48 119.36 109.24 1uca n ILE 58 Ca 0.03 -1.96 0.09 0.00 -0.27 0.00 0.00 62.75 60.64 1uca n ILE 58 Cb 0.34 0.01 0.54 0.00 -1.74 0.00 0.00 39.64 38.79 1uca n ILE 58 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1uca h SER 59 N 0.33 0.25 0.77 7.28 4.64 -1.47 -1.16 113.55 124.19 1uca h SER 59 Ca -0.02 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1uca h SER 59 Cb 1.16 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1uca h SER 59 CO 0.01 0.17 0.00 0.00 -0.87 0.00 0.00 176.83 176.14 1uca n HIS 60 N -4.48 0.27 0.31 4.77 1.44 -1.26 -2.99 115.22 113.28 1uca n HIS 60 Ca 0.04 0.10 0.08 0.00 -2.01 0.00 0.00 57.72 55.93 1uca n HIS 60 Cb 0.23 -0.65 0.13 0.00 0.12 0.00 0.00 29.99 29.81 1uca n HIS 60 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1uca n LEU 61 N -1.74 2.77 -0.33 2.39 4.77 -0.44 -4.69 117.00 119.73 1uca n LEU 61 Ca 0.04 -1.40 0.13 0.00 -0.03 0.00 0.00 56.01 54.76 1uca n LEU 61 Cb 0.25 -0.14 0.35 0.00 -2.33 0.00 0.00 43.42 41.56 1uca n LEU 61 CO 0.20 0.59 1.21 0.06 -1.33 0.00 0.00 177.39 178.12 1uca h GLN 62 N 3.14 0.70 0.07 3.23 3.07 -1.53 -0.14 115.11 123.64 1uca h GLN 62 Ca 0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 58.65 58.69 1uca h GLN 62 Cb 0.75 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 28.15 1uca h GLN 62 CO 0.00 0.46 -0.03 1.03 0.09 0.00 0.00 178.83 180.38 1uca h SER 63 N 0.72 -0.08 -0.75 0.06 0.87 -1.86 -1.53 113.55 110.98 1uca h SER 63 Ca 0.54 -0.20 -0.05 0.00 -1.23 0.00 0.00 61.79 60.85 1uca h SER 63 Cb 0.90 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.85 1uca h SER 63 CO -0.31 0.16 0.26 1.56 -0.53 0.00 0.00 176.83 177.97 1uca h GLN 64 N -0.31 1.15 -0.45 2.24 4.20 -1.77 -2.73 115.11 117.42 1uca h GLN 64 Ca -0.01 -0.23 -0.12 0.00 0.06 0.00 0.00 58.65 58.35 1uca h GLN 64 Cb 0.27 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1uca h GLN 64 CO 0.02 0.96 -0.20 -0.07 -0.67 0.00 0.00 178.83 178.86 1uca h LEU 65 N 1.10 0.92 -1.34 1.46 3.38 -0.99 0.15 115.31 119.99 1uca h LEU 65 Ca 0.25 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1uca h LEU 65 Cb 0.27 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1uca h LEU 65 CO -0.01 1.09 -0.28 0.78 0.09 0.00 0.00 178.44 180.11 1uca h ASN 66 N 0.79 0.00 0.05 -0.43 2.35 -1.16 0.82 115.58 117.99 1uca h ASN 66 Ca 0.11 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.63 1uca h ASN 66 Cb 0.75 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 1uca h ASN 66 CO 0.06 0.28 -1.24 0.74 -1.65 0.00 0.00 177.43 175.62 1uca h THR 67 N 0.00 1.03 0.00 2.81 2.02 -1.23 -3.37 112.91 114.17 1uca h THR 67 Ca -0.00 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 64.89 1uca h THR 67 Cb 0.65 2.56 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 1uca h THR 67 CO 0.04 0.54 -1.31 0.18 0.37 0.00 0.00 175.52 175.34 1uca n LEU 68 N -4.18 0.57 -2.60 2.58 4.77 0.49 -4.51 117.00 114.12 1uca n LEU 68 Ca -0.27 0.20 -0.21 0.00 -0.03 0.00 0.00 56.01 55.70 1uca n LEU 68 Cb 0.77 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.82 1uca n LEU 68 CO 0.31 -0.11 0.07 1.87 -1.33 0.00 0.00 177.39 178.19 1uca n TRP 69 N -2.49 2.59 -1.81 -1.77 -0.00 0.28 -0.88 117.44 113.36 1uca n TRP 69 Ca -0.01 -3.11 -0.31 0.00 -0.00 0.00 0.00 57.50 54.06 1uca n TRP 69 Cb 0.55 -0.22 0.03 0.00 -0.00 0.00 0.00 31.31 31.66 1uca n TRP 69 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 1uca s PRO 70 N -3.35 3.26 -0.32 5.87 0.04 -1.24 -4.76 135.00 134.50 1uca s PRO 70 Ca 0.41 0.96 -0.26 0.00 0.04 0.00 0.00 61.00 62.14 1uca s PRO 70 Cb 0.41 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.92 1uca s PRO 70 CO -0.11 -0.84 0.93 1.21 0.04 0.00 0.00 177.00 178.23 1uca s ASN 71 N -3.62 6.79 0.12 6.66 3.84 -1.26 -4.90 114.94 122.57 1uca s ASN 71 Ca 0.58 0.83 0.24 0.00 0.21 0.00 0.00 52.86 54.73 1uca s ASN 71 Cb -0.13 -2.47 0.41 0.00 -0.55 0.00 0.00 41.25 38.50 1uca s ASN 71 CO 0.49 -0.75 1.38 1.33 -2.79 0.00 0.00 177.10 176.76 1uca n VAL 72 N 5.71 0.37 -0.03 -5.21 0.24 -1.26 -4.11 118.33 114.04 1uca n VAL 72 Ca 0.08 -0.26 -0.09 0.00 -2.04 0.00 0.00 64.34 62.02 1uca n VAL 72 Cb 0.48 -0.17 -0.14 0.00 -1.47 0.00 0.00 33.84 32.54 1uca n VAL 72 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1uca n LEU 73 N -2.10 0.82 -3.89 1.34 4.77 -1.26 -0.35 117.00 116.33 1uca n LEU 73 Ca 0.04 0.37 -0.10 0.00 -0.03 0.00 0.00 56.01 56.29 1uca n LEU 73 Cb 0.43 0.18 -0.09 0.00 -2.33 0.00 0.00 43.42 41.61 1uca n LEU 73 CO 0.36 0.41 -0.16 -0.13 -1.33 0.00 0.00 177.39 176.54 1uca s ARG 74 N -2.59 0.67 -1.46 3.23 0.52 -1.26 -4.47 118.95 113.60 1uca s ARG 74 Ca -0.06 -0.77 -0.10 0.00 -0.52 0.00 0.00 55.73 54.29 1uca s ARG 74 Cb 0.08 0.27 0.03 0.00 0.52 0.00 0.00 34.95 35.85 1uca s ARG 74 CO 0.82 -0.18 2.49 0.00 0.02 0.00 0.00 175.30 178.45 1uca n ALA 75 N 0.56 6.59 -3.28 2.13 0.00 -1.26 -4.52 120.51 120.73 1uca n ALA 75 Ca -0.18 -3.87 -0.09 0.00 0.00 0.00 0.00 53.44 49.29 1uca n ALA 75 Cb 0.59 -3.20 -0.05 0.00 0.00 0.00 0.00 19.45 16.80 1uca n ALA 75 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1uca s ASN 76 N 1.73 -0.01 0.07 0.00 3.84 -1.26 -5.04 114.94 114.27 1uca s ASN 76 Ca 0.56 -1.29 -0.18 0.00 0.21 0.00 0.00 52.86 52.15 1uca s ASN 76 Cb 0.16 1.16 -0.10 0.00 -0.55 0.00 0.00 41.25 41.92 1uca s ASN 76 CO -0.06 -0.21 1.45 0.78 -2.79 0.00 0.00 177.10 176.26 1uca h ASN 77 N 6.95 0.48 -0.77 -4.21 2.35 -1.91 -3.23 115.58 115.24 1uca h ASN 77 Ca 0.06 -0.39 0.04 0.00 -0.55 0.00 0.00 56.30 55.45 1uca h ASN 77 Cb 1.11 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 39.30 1uca h ASN 77 CO 0.15 0.77 0.51 1.56 -1.65 0.00 0.00 177.43 178.77 1uca h GLN 78 N 0.20 0.90 -0.62 0.81 4.20 -1.96 -1.63 115.11 117.01 1uca h GLN 78 Ca 0.06 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1uca h GLN 78 Cb 0.57 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1uca h GLN 78 CO 0.03 0.60 0.28 0.37 -0.67 0.00 0.00 178.83 179.44 1uca h GLN 79 N 0.93 0.88 -0.33 1.46 4.15 -1.99 -0.56 115.11 119.66 1uca h GLN 79 Ca 0.31 -0.12 -0.12 0.00 0.77 0.00 0.00 58.65 59.49 1uca h GLN 79 Cb 0.08 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 1uca h GLN 79 CO -0.09 0.70 -0.25 0.35 -1.93 0.00 0.00 178.83 177.61 1uca h PHE 80 N 0.88 0.88 -0.59 3.99 3.57 -1.34 -1.43 116.94 122.90 1uca h PHE 80 Ca 0.21 -0.24 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 1uca h PHE 80 Cb 0.12 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1uca h PHE 80 CO 0.01 0.99 -0.02 -1.49 -2.23 0.00 0.00 178.31 175.57 1uca h TRP 81 N 0.51 1.16 -0.64 0.41 6.55 -1.03 -1.01 115.95 121.90 1uca h TRP 81 Ca 0.06 -0.21 -0.03 0.00 0.95 0.00 0.00 58.89 59.66 1uca h TRP 81 Cb 0.81 -0.30 -0.03 0.00 -0.86 0.00 0.00 29.16 28.78 1uca h TRP 81 CO 0.07 1.03 0.28 1.03 -1.05 0.00 0.00 178.44 179.79 1uca h SER 82 N 0.95 0.87 -0.59 -3.49 0.87 -1.05 -0.99 113.55 110.12 1uca h SER 82 Ca 0.16 -0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 1uca h SER 82 Cb 0.58 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 1uca h SER 82 CO 0.03 0.79 0.13 -0.74 -0.53 0.00 0.00 176.83 176.51 1uca h HIS 83 N 0.90 1.01 -0.27 2.24 -0.00 -0.99 -1.70 115.15 116.33 1uca h HIS 83 Ca 0.22 -0.13 -0.12 0.00 -0.00 0.00 0.00 60.37 60.33 1uca h HIS 83 Cb 0.17 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.29 1uca h HIS 83 CO 0.01 0.86 -0.35 0.93 -0.00 0.00 0.00 177.93 179.38 1uca h GLU 84 N 0.87 0.60 -0.06 5.26 4.39 -0.96 -1.30 114.58 123.39 1uca h GLU 84 Ca 0.18 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1uca h GLU 84 Cb 0.37 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1uca h GLU 84 CO 0.00 0.86 -0.01 2.35 -1.16 0.00 0.00 179.01 181.06 1uca h TRP 85 N 0.50 0.11 -0.55 4.33 2.91 -1.01 0.31 115.95 122.56 1uca h TRP 85 Ca 0.05 -0.02 -0.07 0.00 1.13 0.00 0.00 58.89 59.98 1uca h TRP 85 Cb 0.84 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 29.44 1uca h TRP 85 CO 0.04 0.41 0.04 1.15 -1.03 0.00 0.00 178.44 179.05 1uca h THR 86 N -0.22 1.25 0.11 2.65 2.02 -1.29 -0.47 112.91 116.96 1uca h THR 86 Ca 0.01 -1.01 -0.29 0.00 0.77 0.00 0.00 66.41 65.89 1uca h THR 86 Cb 0.37 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1uca h THR 86 CO 0.00 0.37 -1.42 0.50 0.37 0.00 0.00 175.52 175.34 1uca h LYS 87 N 0.86 0.22 0.00 6.66 3.64 -1.26 -3.37 116.57 123.32 1uca h LYS 87 Ca 0.17 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1uca h LYS 87 Cb 0.44 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1uca h LYS 87 CO 0.02 1.10 -0.94 0.72 -2.27 0.00 0.00 179.45 178.08 1uca n HIS 88 N -3.45 0.00 -0.25 1.91 8.25 0.04 -0.98 115.22 120.75 1uca n HIS 88 Ca -0.13 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.41 1uca n HIS 88 Cb 1.03 0.03 0.33 0.00 1.12 0.00 0.00 29.99 32.50 1uca n HIS 88 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1uca h GLY 89 N 0.00 1.15 2.00 -1.41 0.00 -0.66 -1.74 103.07 102.41 1uca h GLY 89 Ca 0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 1uca h GLY 89 CO 0.00 0.19 -0.02 -0.91 0.00 0.00 0.00 176.54 175.80 1uca h THR 90 N 0.80 0.66 0.00 4.70 1.35 -1.38 -2.18 112.91 116.86 1uca h THR 90 Ca 0.39 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 66.16 1uca h THR 90 Cb 0.42 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1uca h THR 90 CO -0.15 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 175.14 1uca n SER 92 N -1.49 1.65 0.22 0.00 3.41 -0.83 -4.69 113.62 111.88 1uca n SER 92 Ca 0.05 -2.18 0.15 0.00 -0.26 0.00 0.00 58.87 56.63 1uca n SER 92 Cb 0.21 -0.14 0.72 0.00 -0.26 0.00 0.00 64.21 64.74 1uca n SER 92 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1uca h GLU 93 N 0.00 0.00 0.00 4.33 4.81 -1.38 -0.03 114.58 122.32 1uca h GLU 93 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1uca h GLU 93 Cb 0.80 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.17 1uca h GLU 93 CO 0.00 0.00 -0.09 0.66 -0.73 0.00 0.00 179.01 178.85 1uca h SER 94 N 0.00 0.00 0.00 1.04 4.64 -1.86 -3.29 113.55 114.08 1uca h SER 94 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uca h SER 94 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1uca h SER 94 CO 0.00 0.09 -0.82 0.35 -0.87 0.00 0.00 176.83 175.58 1uca n THR 95 N -3.55 0.00 -4.01 2.95 -2.24 -0.88 -5.00 114.28 101.54 1uca n THR 95 Ca -0.02 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.45 1uca n THR 95 Cb 0.21 -0.43 -0.15 0.00 -2.10 0.00 0.00 70.33 67.86 1uca n THR 95 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1uca s PHE 96 N -1.76 2.84 1.01 4.78 0.40 -0.08 -5.08 117.98 120.09 1uca s PHE 96 Ca 0.00 -2.01 -0.13 0.00 -0.60 0.00 0.00 56.93 54.19 1uca s PHE 96 Cb 0.00 -1.77 0.20 0.00 0.51 0.00 0.00 43.02 41.96 1uca s PHE 96 CO 0.00 -0.82 1.10 0.54 0.70 0.00 0.00 175.22 176.74 1uca s ASN 97 N 1.25 2.52 0.24 1.36 2.20 -1.26 -3.88 114.94 117.37 1uca s ASN 97 Ca -0.07 1.10 -0.05 0.00 -0.94 0.00 0.00 52.86 52.90 1uca s ASN 97 Cb -0.19 -1.73 0.43 0.00 -2.00 0.00 0.00 41.25 37.77 1uca s ASN 97 CO -0.06 -3.18 1.72 -0.61 -2.94 0.00 0.00 177.10 172.03 1uca h GLN 98 N -1.93 0.39 -0.44 3.55 4.15 -1.95 -0.20 115.11 118.67 1uca h GLN 98 Ca -0.54 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 58.83 1uca h GLN 98 Cb 1.33 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.92 1uca h GLN 98 CO 0.57 0.25 0.16 0.00 -1.93 0.00 0.00 178.83 177.89 1uca h ALA 99 N 1.54 0.57 -0.29 3.38 0.00 -1.92 -2.53 119.26 120.01 1uca h ALA 99 Ca 0.40 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1uca h ALA 99 Cb 0.61 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1uca h ALA 99 CO -0.41 0.19 -0.21 0.00 0.00 0.00 0.00 179.25 178.81 1uca h ALA 100 N 1.01 1.09 -0.09 0.00 0.00 -1.72 -1.91 119.26 117.63 1uca h ALA 100 Ca 0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1uca h ALA 100 Cb 0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1uca h ALA 100 CO -0.01 0.56 0.03 -0.92 0.00 0.00 0.00 179.25 178.91 1uca h TYR 101 N 0.49 0.15 -0.11 0.00 3.20 -0.90 -0.30 116.97 119.50 1uca h TYR 101 Ca 0.08 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.80 1uca h TYR 101 Cb 0.64 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1uca h TYR 101 CO 0.02 0.29 -0.51 0.74 -1.64 0.00 0.00 178.16 177.06 1uca h PHE 102 N -0.03 0.38 -0.59 -3.82 -1.00 -1.41 -2.54 116.94 107.92 1uca h PHE 102 Ca 0.03 -0.13 -0.09 0.00 2.81 0.00 0.00 57.97 60.60 1uca h PHE 102 Cb 0.21 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.67 1uca h PHE 102 CO -0.00 0.76 0.03 -0.22 -1.61 0.00 0.00 178.31 177.26 1uca h LYS 103 N 0.25 1.01 -0.39 1.51 1.63 -1.24 -2.21 116.57 117.12 1uca h LYS 103 Ca 0.01 -0.30 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 1uca h LYS 103 Cb 0.99 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.49 1uca h LYS 103 CO 0.08 0.98 0.26 1.25 -3.45 0.00 0.00 179.45 178.57 1uca h LEU 104 N 0.94 0.45 -0.83 5.20 5.85 -0.78 -0.59 115.31 125.55 1uca h LEU 104 Ca 0.17 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1uca h LEU 104 Cb 0.50 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1uca h LEU 104 CO 0.02 0.33 0.46 0.00 -0.34 0.00 0.00 178.44 178.91 1uca h ALA 105 N 1.14 1.06 -0.23 1.25 0.00 -1.26 -0.09 119.26 121.14 1uca h ALA 105 Ca 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1uca h ALA 105 Cb -0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1uca h ALA 105 CO -0.03 0.57 0.07 0.28 0.00 0.00 0.00 179.25 180.14 1uca h VAL 106 N 1.15 1.20 -0.87 0.00 2.07 -1.00 -1.59 116.25 117.22 1uca h VAL 106 Ca 0.29 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1uca h VAL 106 Cb 0.03 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1uca h VAL 106 CO -0.05 0.20 0.46 0.44 0.02 0.00 0.00 177.57 178.65 1uca h ASP 107 N 0.20 1.09 -0.65 0.57 3.32 -0.83 -1.50 116.42 118.61 1uca h ASP 107 Ca 0.07 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1uca h ASP 107 Cb 0.24 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1uca h ASP 107 CO -0.00 0.88 0.29 0.24 -1.72 0.00 0.00 179.24 178.93 1uca h MET 108 N 1.22 0.96 -0.57 3.56 2.86 -0.82 -2.02 114.93 120.11 1uca h MET 108 Ca 0.30 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.74 1uca h MET 108 Cb 0.04 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1uca h MET 108 CO -0.05 0.78 0.17 -0.09 1.06 0.00 0.00 176.91 178.79 1uca h ARG 109 N 0.91 0.89 0.00 1.72 9.65 -0.85 -1.15 114.38 125.55 1uca h ARG 109 Ca 0.22 -0.19 -0.02 0.00 -1.10 0.00 0.00 59.98 58.89 1uca h ARG 109 Cb 0.15 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 28.60 1uca h ARG 109 CO -0.02 0.80 -0.11 -0.91 2.80 0.00 0.00 179.97 182.53 1uca h ASN 110 N 0.80 0.00 -0.04 -3.80 2.35 -1.06 -2.95 115.58 110.88 1uca h ASN 110 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1uca h ASN 110 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1uca h ASN 110 CO -0.01 0.11 0.00 0.59 -1.65 0.00 0.00 177.43 176.47 1uca n ASN 111 N -3.35 2.78 -3.46 5.81 3.02 -0.78 -4.63 115.26 114.65 1uca n ASN 111 Ca -0.01 -1.88 -0.26 0.00 -0.03 0.00 0.00 54.58 52.40 1uca n ASN 111 Cb 0.30 -0.01 -0.09 0.00 -0.61 0.00 0.00 39.78 39.37 1uca n ASN 111 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uca n TYR 112 N 1.19 1.49 -2.82 3.10 9.36 -0.47 -5.05 117.16 123.97 1uca n TYR 112 Ca 0.12 -3.85 -0.43 0.00 3.32 0.00 0.00 57.90 57.07 1uca n TYR 112 Cb 0.53 -0.34 -0.03 0.00 -0.63 0.00 0.00 39.34 38.86 1uca n TYR 112 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1uca s ASP 113 N -1.36 6.29 0.06 2.98 2.15 -1.26 -4.86 116.67 120.67 1uca s ASP 113 Ca 0.34 -1.18 -0.26 0.00 0.43 0.00 0.00 52.55 51.88 1uca s ASP 113 Cb 0.09 -2.44 -0.17 0.00 -0.30 0.00 0.00 42.92 40.10 1uca s ASP 113 CO -0.11 -1.41 1.60 0.40 -0.17 0.00 0.00 175.17 175.48 1uca h ILE 114 N 6.01 0.85 -0.87 4.11 2.04 -1.96 -2.54 117.51 125.14 1uca h ILE 114 Ca -0.16 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 1uca h ILE 114 Cb 1.05 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 1uca h ILE 114 CO 1.19 0.04 0.46 0.40 0.00 0.00 0.00 178.15 180.25 1uca h ILE 115 N -0.35 1.26 0.00 -0.67 1.08 -1.99 -1.89 117.51 114.95 1uca h ILE 115 Ca -0.03 -0.66 -0.02 0.00 -0.39 0.00 0.00 64.86 63.76 1uca h ILE 115 Cb 0.27 0.09 -0.00 0.00 -3.07 0.00 0.00 36.82 34.11 1uca h ILE 115 CO 0.04 0.30 -0.11 1.23 -0.69 0.00 0.00 178.15 178.92 1uca h GLY 116 N 1.24 0.00 1.79 5.37 0.00 -1.96 0.37 103.07 109.88 1uca h GLY 116 Ca 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 1uca h GLY 116 CO -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 176.54 176.22 1uca h ALA 117 N 1.89 0.86 0.01 3.60 0.00 -0.92 -3.38 119.26 121.33 1uca h ALA 117 Ca -0.00 -0.08 -0.38 0.00 0.00 0.00 0.00 54.91 54.45 1uca h ALA 117 Cb 0.20 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1uca h ALA 117 CO 0.01 0.10 -2.39 1.28 0.00 0.00 0.00 179.25 178.25 1uca n LEU 118 N -3.03 2.05 -0.24 0.00 4.77 -0.77 -4.66 117.00 115.11 1uca n LEU 118 Ca 0.03 -0.05 0.03 0.00 -0.03 0.00 0.00 56.01 55.98 1uca n LEU 118 Cb 0.57 -0.50 0.11 0.00 -2.33 0.00 0.00 43.42 41.27 1uca n LEU 118 CO 0.36 0.79 0.77 -0.09 -1.33 0.00 0.00 177.39 177.89 1uca h ARG 119 N 0.01 0.05 0.00 3.23 2.43 -1.12 -1.77 114.38 117.20 1uca h ARG 119 Ca -0.55 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.62 1uca h ARG 119 Cb 2.01 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 31.55 1uca h ARG 119 CO -0.04 0.03 -0.01 -1.35 -1.51 0.00 0.00 179.97 177.10 1uca h PRO 120 N 0.05 0.00 -0.63 0.20 0.11 -1.83 -2.18 132.00 127.72 1uca h PRO 120 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1uca h PRO 120 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1uca h PRO 120 CO -0.69 0.01 0.00 0.72 -0.21 0.00 0.00 178.00 177.83 1uca n HIS 121 N -4.24 1.77 -3.15 0.65 8.25 -0.71 -4.91 115.22 112.88 1uca n HIS 121 Ca -0.03 -0.63 -0.23 0.00 -0.26 0.00 0.00 57.72 56.57 1uca n HIS 121 Cb 0.09 -0.42 0.04 0.00 1.12 0.00 0.00 29.99 30.82 1uca n HIS 121 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1uca n ALA 122 N 0.67 -1.03 -0.49 -1.41 0.00 -0.82 -4.88 120.51 112.55 1uca n ALA 122 Ca 0.25 0.28 0.05 0.00 0.00 0.00 0.00 53.44 54.02 1uca n ALA 122 Cb 1.05 -4.00 0.11 0.00 0.00 0.00 0.00 19.45 16.60 1uca n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uca n ALA 123 N -3.76 2.27 -1.18 0.00 0.00 -0.91 -5.04 120.51 111.89 1uca n ALA 123 Ca -0.09 -1.68 -0.29 0.00 0.00 0.00 0.00 53.44 51.38 1uca n ALA 123 Cb 0.60 -0.31 0.17 0.00 0.00 0.00 0.00 19.45 19.92 1uca n ALA 123 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1uca s GLY 124 N -1.66 1.57 0.20 0.00 0.00 -1.25 -4.78 107.32 101.40 1uca s GLY 124 Ca 0.20 -0.34 -0.30 0.00 0.00 0.00 0.00 44.72 44.28 1uca s GLY 124 CO 0.05 0.26 1.34 2.56 0.00 0.00 0.00 173.10 177.31 1uca s PRO 125 N -4.97 4.36 0.00 2.90 0.04 -1.26 -4.88 135.00 131.19 1uca s PRO 125 Ca 0.65 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.79 1uca s PRO 125 Cb -0.18 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1uca s PRO 125 CO 0.57 -0.30 0.28 0.27 0.04 0.00 0.00 177.00 177.87 1uca n ASN 126 N 2.74 0.00 -0.23 6.66 0.23 -0.95 -5.01 115.26 118.70 1uca n ASN 126 Ca 0.07 -1.06 -0.03 0.00 -0.53 0.00 0.00 54.58 53.03 1uca n ASN 126 Cb 0.42 -0.01 -0.01 0.00 -2.08 0.00 0.00 39.78 38.10 1uca n ASN 126 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1uca n GLY 127 N 0.00 0.60 3.77 4.83 0.00 -1.21 -5.02 105.19 108.16 1uca n GLY 127 Ca 0.00 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 1uca n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uca s ARG 128 N -1.57 2.25 0.23 1.61 0.52 -1.25 -4.74 118.95 116.00 1uca s ARG 128 Ca 0.00 -1.88 -0.30 0.00 -0.52 0.00 0.00 55.73 53.03 1uca s ARG 128 Cb 0.00 -1.99 -0.09 0.00 0.52 0.00 0.00 34.95 33.39 1uca s ARG 128 CO 0.00 -0.19 1.30 0.99 0.02 0.00 0.00 175.30 177.42 1uca s THR 129 N -2.63 3.12 0.17 0.02 2.01 -1.26 -1.65 115.64 115.42 1uca s THR 129 Ca 0.39 0.96 0.08 0.00 0.31 0.00 0.00 61.69 63.43 1uca s THR 129 Cb 0.03 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1uca s THR 129 CO 0.22 0.17 -0.17 -0.54 -0.69 0.00 0.00 174.62 173.60 1uca s LYS 130 N -0.52 1.26 -0.13 4.92 -0.14 0.67 -4.92 119.74 120.87 1uca s LYS 130 Ca 0.54 -1.43 -0.12 0.00 -1.36 0.00 0.00 55.97 53.60 1uca s LYS 130 Cb -0.37 -1.23 -0.05 0.00 -1.68 0.00 0.00 37.83 34.51 1uca s LYS 130 CO 0.41 0.24 0.27 0.45 -0.76 0.00 0.00 175.35 175.96 1uca s SER 131 N -2.81 6.46 0.19 2.83 0.15 -1.26 -2.18 113.70 117.08 1uca s SER 131 Ca 0.17 0.54 -0.12 0.00 0.70 0.00 0.00 55.95 57.24 1uca s SER 131 Cb -0.04 -2.16 0.15 0.00 -1.71 0.00 0.00 66.02 62.25 1uca s SER 131 CO 0.06 0.19 1.82 -0.09 1.20 0.00 0.00 173.24 176.43 1uca h ARG 132 N 6.11 0.68 -0.79 5.44 2.43 -1.37 -1.62 114.38 125.25 1uca h ARG 132 Ca -0.45 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.65 1uca h ARG 132 Cb 1.18 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.54 1uca h ARG 132 CO 0.71 0.45 0.39 1.96 -1.51 0.00 0.00 179.97 181.96 1uca h GLN 133 N 0.70 1.14 -0.03 0.20 4.20 -1.93 -1.50 115.11 117.89 1uca h GLN 133 Ca 0.24 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 1uca h GLN 133 Cb 0.04 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 1uca h GLN 133 CO -0.11 0.88 0.01 0.00 -0.67 0.00 0.00 178.83 178.93 1uca h ALA 134 N 1.20 0.04 -0.49 3.87 0.00 -1.83 -0.59 119.26 121.46 1uca h ALA 134 Ca 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1uca h ALA 134 Cb 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1uca h ALA 134 CO -0.04 -0.34 0.22 0.82 0.00 0.00 0.00 179.25 179.92 1uca h ILE 135 N -0.17 1.20 -0.56 0.00 1.08 -1.23 -0.79 117.51 117.04 1uca h ILE 135 Ca 0.01 -0.59 -0.06 0.00 -0.39 0.00 0.00 64.86 63.83 1uca h ILE 135 Cb 0.24 0.68 -0.03 0.00 -3.07 0.00 0.00 36.82 34.64 1uca h ILE 135 CO 0.00 0.23 0.12 0.11 -0.69 0.00 0.00 178.15 177.92 1uca h LYS 136 N 0.66 0.87 -0.60 2.37 1.57 -1.26 -2.40 116.57 117.78 1uca h LYS 136 Ca 0.17 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1uca h LYS 136 Cb 0.15 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1uca h LYS 136 CO -0.02 0.79 0.11 0.78 -0.57 0.00 0.00 179.45 180.54 1uca h GLY 137 N 0.99 1.07 1.01 3.86 0.00 -0.55 -0.89 103.07 108.56 1uca h GLY 137 Ca 0.18 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.73 1uca h GLY 137 CO 0.00 0.65 0.04 0.74 0.00 0.00 0.00 176.54 177.98 1uca h PHE 138 N 0.90 0.96 -0.23 5.60 0.05 -0.95 -1.77 116.94 121.50 1uca h PHE 138 Ca 0.18 -0.15 -0.14 0.00 3.82 0.00 0.00 57.97 61.68 1uca h PHE 138 Cb 0.41 -0.26 -0.01 0.00 2.00 0.00 0.00 35.95 38.10 1uca h PHE 138 CO 0.03 0.88 -0.43 -0.07 -0.18 0.00 0.00 178.31 178.54 1uca h LEU 139 N 0.77 0.59 -0.82 1.54 3.38 -1.34 -2.43 115.31 117.00 1uca h LEU 139 Ca 0.15 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 1uca h LEU 139 Cb 0.47 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1uca h LEU 139 CO 0.02 0.95 -0.15 0.50 0.09 0.00 0.00 178.44 179.84 1uca h LYS 140 N 0.45 0.72 -0.66 1.13 3.64 -1.01 0.34 116.57 121.18 1uca h LYS 140 Ca 0.03 -0.25 -0.08 0.00 -1.27 0.00 0.00 60.65 59.08 1uca h LYS 140 Cb 0.94 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.68 1uca h LYS 140 CO 0.08 0.83 0.09 0.00 -2.27 0.00 0.00 179.45 178.18 1uca h ALA 141 N 1.19 0.88 0.07 5.00 0.00 -1.15 0.34 119.26 125.59 1uca h ALA 141 Ca 0.10 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.54 1uca h ALA 141 Cb 0.62 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 18.18 1uca h ALA 141 CO 0.04 0.67 -0.80 -0.22 0.00 0.00 0.00 179.25 178.93 1uca h LYS 142 N 1.03 0.42 0.00 0.00 1.63 -1.22 -3.38 116.57 115.05 1uca h LYS 142 Ca 0.20 -0.55 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 1uca h LYS 142 Cb 0.47 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.27 1uca h LYS 142 CO 0.02 1.21 -1.37 1.19 -3.45 0.00 0.00 179.45 177.05 1uca n PHE 143 N -4.10 0.00 0.00 1.91 3.01 0.09 -5.02 117.46 113.35 1uca n PHE 143 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.34 1uca n PHE 143 Cb 0.79 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 40.05 1uca n PHE 143 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1uca n GLY 144 N 1.41 2.47 3.12 1.37 0.00 0.12 -5.03 105.19 108.65 1uca n GLY 144 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1uca n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uca s LYS 145 N -0.97 0.69 0.14 1.61 -0.14 -1.24 -4.95 119.74 114.87 1uca s LYS 145 Ca 0.00 -1.27 -0.30 0.00 -1.36 0.00 0.00 55.97 53.04 1uca s LYS 145 Cb 0.00 0.11 -0.07 0.00 -1.68 0.00 0.00 37.83 36.19 1uca s LYS 145 CO 0.00 -0.10 1.09 -0.06 -0.76 0.00 0.00 175.35 175.52 1uca s PHE 146 N -3.86 3.60 0.67 3.18 0.40 -1.26 -3.89 117.98 116.82 1uca s PHE 146 Ca 0.10 1.59 -0.03 0.00 -0.60 0.00 0.00 56.93 57.99 1uca s PHE 146 Cb 0.07 -3.26 0.08 0.00 0.51 0.00 0.00 43.02 40.42 1uca s PHE 146 CO -0.08 -0.56 0.94 -1.25 0.70 0.00 0.00 175.22 174.97 1uca s PRO 147 N -0.02 2.09 -0.10 0.24 0.04 -1.26 -1.16 135.00 134.83 1uca s PRO 147 Ca 0.51 -0.70 -0.02 0.00 0.04 0.00 0.00 61.00 60.83 1uca s PRO 147 Cb -0.28 -2.31 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 1uca s PRO 147 CO 0.33 -1.17 -0.00 0.20 0.04 0.00 0.00 177.00 176.40 1uca s GLY 148 N -4.57 1.83 -0.12 0.56 0.00 0.33 -4.65 107.32 100.71 1uca s GLY 148 Ca 0.62 -0.81 -0.00 0.00 0.00 0.00 0.00 44.72 44.53 1uca s GLY 148 CO 0.43 -0.46 -0.12 1.08 0.00 0.00 0.00 173.10 174.03 1uca s LEU 149 N -0.61 2.77 -0.09 0.66 1.43 -1.26 -0.08 118.68 121.50 1uca s LEU 149 Ca 0.10 -0.29 0.04 0.00 -1.03 0.00 0.00 54.13 52.95 1uca s LEU 149 Cb -0.12 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 1uca s LEU 149 CO 0.02 0.19 -0.22 -0.13 0.23 0.00 0.00 176.35 176.44 1uca s ARG 150 N 0.22 2.90 0.26 1.70 0.52 -0.19 -1.15 118.95 123.21 1uca s ARG 150 Ca -0.08 -0.85 0.08 0.00 -0.52 0.00 0.00 55.73 54.36 1uca s ARG 150 Cb -0.15 -2.31 -0.05 0.00 0.52 0.00 0.00 34.95 32.95 1uca s ARG 150 CO 0.05 0.28 -0.10 0.00 0.02 0.00 0.00 175.30 175.55 1uca s ARG 152 N -3.68 0.32 -0.17 0.00 0.52 -0.48 -4.81 118.95 110.65 1uca s ARG 152 Ca 0.28 -0.27 -0.12 0.00 -0.52 0.00 0.00 55.73 55.09 1uca s ARG 152 Cb 0.02 -0.24 -0.05 0.00 0.52 0.00 0.00 34.95 35.20 1uca s ARG 152 CO 0.11 0.06 0.21 0.99 0.02 0.00 0.00 175.30 176.69 1uca s THR 153 N -0.43 5.36 0.04 0.02 2.01 -1.26 -1.07 115.64 120.31 1uca s THR 153 Ca -0.02 0.37 -0.30 0.00 0.31 0.00 0.00 61.69 62.04 1uca s THR 153 Cb -0.04 -3.55 -0.06 0.00 0.01 0.00 0.00 72.50 68.86 1uca s THR 153 CO -0.00 0.43 1.43 -0.62 -0.69 0.00 0.00 174.62 175.17 1uca s ASP 154 N 0.29 6.82 0.49 3.53 -1.08 -0.23 -4.91 116.67 121.58 1uca s ASP 154 Ca 0.13 2.21 0.15 0.00 -0.52 0.00 0.00 52.55 54.52 1uca s ASP 154 Cb -0.12 -2.57 1.19 0.00 -1.46 0.00 0.00 42.92 39.96 1uca s ASP 154 CO 0.01 -0.72 2.10 -0.65 0.52 0.00 0.00 175.17 176.43 1uca h PRO 155 N 7.65 0.13 0.09 4.34 0.11 -1.97 0.18 132.00 142.54 1uca h PRO 155 Ca -0.39 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.49 1uca h PRO 155 Cb 1.19 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1uca h PRO 155 CO 0.90 0.09 -1.11 1.96 -0.21 0.00 0.00 178.00 179.63 1uca h GLN 156 N 0.14 0.19 0.00 1.05 7.50 -1.98 -3.40 115.11 118.61 1uca h GLN 156 Ca 0.09 -0.33 0.00 0.00 0.50 0.00 0.00 58.65 58.91 1uca h GLN 156 Cb 0.18 0.12 0.00 0.00 0.05 0.00 0.00 27.48 27.83 1uca h GLN 156 CO -0.01 1.16 -1.75 0.25 -1.50 0.00 0.00 178.83 176.98 1uca n THR 157 N -4.11 0.01 -1.22 -0.54 -2.24 -1.23 -4.98 114.28 99.97 1uca n THR 157 Ca -0.22 -0.38 -0.08 0.00 -2.27 0.00 0.00 64.05 61.10 1uca n THR 157 Cb 0.81 0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 1uca n THR 157 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1uca n LYS 158 N -2.09 -0.79 -3.17 -0.78 4.76 0.63 -5.00 118.16 111.72 1uca n LYS 158 Ca -0.02 0.71 -0.38 0.00 -2.87 0.00 0.00 58.31 55.75 1uca n LYS 158 Cb 0.51 -4.60 -0.06 0.00 -1.84 0.00 0.00 35.03 29.04 1uca n LYS 158 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1uca s VAL 159 N -2.16 4.62 -0.05 -0.18 1.01 -1.26 -4.74 120.40 117.65 1uca s VAL 159 Ca 0.00 1.31 -0.16 0.00 0.00 0.00 0.00 61.98 63.12 1uca s VAL 159 Cb 0.00 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 1uca s VAL 159 CO 0.00 0.44 0.43 -0.55 0.00 0.00 0.00 175.10 175.42 1uca s SER 160 N -1.31 6.75 0.02 3.32 0.15 -1.26 -1.06 113.70 120.30 1uca s SER 160 Ca 0.35 0.89 0.07 0.00 0.70 0.00 0.00 55.95 57.96 1uca s SER 160 Cb -0.19 -2.26 -0.02 0.00 -1.71 0.00 0.00 66.02 61.83 1uca s SER 160 CO 0.21 0.18 -0.21 -0.31 1.20 0.00 0.00 173.24 174.31 1uca s TYR 161 N -0.33 1.88 0.04 3.44 1.51 -0.23 -0.91 117.35 122.76 1uca s TYR 161 Ca 0.24 -0.37 -0.30 0.00 -1.01 0.00 0.00 57.07 55.63 1uca s TYR 161 Cb -0.16 -1.16 -0.05 0.00 -0.11 0.00 0.00 41.96 40.48 1uca s TYR 161 CO 0.12 0.04 1.16 -1.17 -1.11 0.00 0.00 175.55 174.58 1uca s LEU 162 N -0.86 4.36 0.00 -1.29 2.96 -0.82 -1.38 118.68 121.65 1uca s LEU 162 Ca 0.08 1.93 0.00 0.00 -0.22 0.00 0.00 54.13 55.92 1uca s LEU 162 Cb -0.09 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1uca s LEU 162 CO 0.01 -0.44 0.00 1.33 -1.32 0.00 0.00 176.35 175.92 1uca n VAL 163 N 3.99 0.00 -4.00 1.68 0.24 -0.31 -4.84 118.33 115.10 1uca n VAL 163 Ca 0.09 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.30 1uca n VAL 163 Cb 0.47 -0.87 -0.11 0.00 -1.47 0.00 0.00 33.84 31.86 1uca n VAL 163 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1uca s GLN 164 N -1.95 0.35 -0.07 7.34 -0.21 -0.94 -0.75 119.66 123.43 1uca s GLN 164 Ca 0.00 -0.68 0.03 0.00 0.02 0.00 0.00 55.36 54.73 1uca s GLN 164 Cb 0.00 0.10 0.01 0.00 1.00 0.00 0.00 33.01 34.12 1uca s GLN 164 CO 0.00 -0.05 -0.15 0.08 -2.12 0.00 0.00 175.29 173.04 1uca s VAL 165 N -1.73 1.37 -0.10 1.09 1.01 -0.35 -1.02 120.40 120.66 1uca s VAL 165 Ca -0.13 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 1uca s VAL 165 Cb -0.08 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 1uca s VAL 165 CO -0.02 0.40 -0.08 -0.69 0.00 0.00 0.00 175.10 174.71 1uca s VAL 166 N 0.46 3.53 -0.14 2.92 1.01 0.89 -1.37 120.40 127.69 1uca s VAL 166 Ca -0.13 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1uca s VAL 166 Cb -0.15 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1uca s VAL 166 CO 0.04 0.56 -0.11 0.00 0.00 0.00 0.00 175.10 175.60 1uca s ALA 167 N -0.30 2.70 -0.16 5.51 0.00 -0.35 -0.51 121.76 128.65 1uca s ALA 167 Ca 0.04 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 51.01 1uca s ALA 167 Cb -0.13 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 1uca s ALA 167 CO 0.02 0.18 0.12 0.00 0.00 0.00 0.00 175.76 176.08 1uca s PHE 169 N -0.20 1.85 1.08 0.00 0.40 -0.46 -0.83 117.98 119.81 1uca s PHE 169 Ca 0.10 -0.44 -0.16 0.00 -0.60 0.00 0.00 56.93 55.83 1uca s PHE 169 Cb -0.12 -0.97 0.23 0.00 0.51 0.00 0.00 43.02 42.68 1uca s PHE 169 CO 0.01 0.28 1.15 0.00 0.70 0.00 0.00 175.22 177.36 1uca s ALA 170 N -1.58 1.14 -0.31 5.36 0.00 0.52 -0.70 121.76 126.18 1uca s ALA 170 Ca 0.12 -0.81 0.21 0.00 0.00 0.00 0.00 51.96 51.47 1uca s ALA 170 Cb -0.08 -2.93 1.07 0.00 0.00 0.00 0.00 23.12 21.18 1uca s ALA 170 CO 0.06 -3.04 1.64 0.00 0.00 0.00 0.00 175.76 174.42 1uca n GLN 171 N -4.32 0.15 0.00 0.00 10.64 -1.20 -1.41 117.38 121.24 1uca n GLN 171 Ca 0.11 0.58 0.14 0.00 -1.83 0.00 0.00 57.00 56.00 1uca n GLN 171 Cb 0.59 -1.92 0.69 0.00 -0.86 0.00 0.00 30.24 28.74 1uca n GLN 171 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1uca n ASP 172 N -2.22 0.00 -0.48 2.61 5.68 -1.26 -4.91 116.55 115.98 1uca n ASP 172 Ca -0.00 0.10 -0.06 0.00 -0.50 0.00 0.00 54.79 54.32 1uca n ASP 172 Cb 0.08 -0.36 -0.03 0.00 -1.14 0.00 0.00 41.12 39.67 1uca n ASP 172 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1uca n GLY 173 N 1.28 0.79 0.00 6.12 0.00 -0.50 -4.77 105.19 108.10 1uca n GLY 173 Ca 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1uca n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uca n SER 174 N -0.22 1.09 -4.60 1.61 3.41 -1.26 -4.99 113.62 108.66 1uca n SER 174 Ca -0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.13 1uca n SER 174 Cb 0.34 0.14 -0.05 0.00 -0.26 0.00 0.00 64.21 64.37 1uca n SER 174 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1uca s THR 175 N -1.02 4.77 0.30 6.66 2.01 -1.26 -4.96 115.64 122.14 1uca s THR 175 Ca 0.00 1.02 -0.29 0.00 0.31 0.00 0.00 61.69 62.73 1uca s THR 175 Cb 0.00 -4.17 -0.10 0.00 0.01 0.00 0.00 72.50 68.24 1uca s THR 175 CO 0.00 -0.34 1.18 -0.76 -0.69 0.00 0.00 174.62 174.01 1uca s LEU 176 N 3.01 4.49 0.17 4.42 1.43 -1.26 -0.35 118.68 130.58 1uca s LEU 176 Ca 0.31 2.42 0.02 0.00 -1.03 0.00 0.00 54.13 55.85 1uca s LEU 176 Cb -0.14 -3.66 -0.05 0.00 0.03 0.00 0.00 46.19 42.38 1uca s LEU 176 CO 0.15 -0.31 -0.00 0.27 0.23 0.00 0.00 176.35 176.69 1uca s ILE 177 N -1.17 0.68 0.35 -0.59 -4.36 -0.01 -4.84 121.20 111.26 1uca s ILE 177 Ca 0.47 -1.98 -0.27 0.00 -0.26 0.00 0.00 60.65 58.61 1uca s ILE 177 Cb -0.35 -2.10 -0.09 0.00 1.25 0.00 0.00 42.46 41.18 1uca s ILE 177 CO 0.45 -0.50 1.21 -1.81 0.24 0.00 0.00 174.94 174.53 1uca s ASP 178 N -3.17 6.75 0.47 4.36 1.01 -1.26 -4.11 116.67 120.73 1uca s ASP 178 Ca 0.23 2.46 -0.04 0.00 0.71 0.00 0.00 52.55 55.91 1uca s ASP 178 Cb 0.06 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 1uca s ASP 178 CO 0.03 -0.52 0.76 0.00 0.21 0.00 0.00 175.17 175.65 1uca n THR 180 N -2.22 0.00 -4.34 0.00 -2.24 -1.26 -4.86 114.28 99.36 1uca n THR 180 Ca 0.00 -0.30 -0.23 0.00 -2.27 0.00 0.00 64.05 61.25 1uca n THR 180 Cb 0.55 1.34 -0.17 0.00 -2.10 0.00 0.00 70.33 69.96 1uca n THR 180 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1uca s ARG 181 N -0.08 1.33 0.08 -0.78 0.52 -1.26 -5.13 118.95 113.63 1uca s ARG 181 Ca 0.00 -0.27 0.09 0.00 -0.52 0.00 0.00 55.73 55.03 1uca s ARG 181 Cb 0.00 -1.20 -0.03 0.00 0.52 0.00 0.00 34.95 34.24 1uca s ARG 181 CO 0.00 -0.05 -0.24 -0.51 0.02 0.00 0.00 175.30 174.52 1uca s ASP 182 N 0.90 2.86 0.00 0.23 1.01 -1.26 -4.31 116.67 116.10 1uca s ASP 182 Ca -0.11 -0.64 0.13 0.00 0.71 0.00 0.00 52.55 52.64 1uca s ASP 182 Cb -0.15 -0.21 0.20 0.00 1.01 0.00 0.00 42.92 43.77 1uca s ASP 182 CO 0.01 0.16 1.06 0.35 0.21 0.00 0.00 175.17 176.96 1uca n THR 183 N 1.38 0.34 -3.42 -1.27 -2.24 -0.30 -4.98 114.28 103.79 1uca n THR 183 Ca -0.18 -0.67 -0.34 0.00 -2.27 0.00 0.00 64.05 60.59 1uca n THR 183 Cb 0.53 1.02 -0.05 0.00 -2.10 0.00 0.00 70.33 69.72 1uca n THR 183 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uca n GLY 185 N 0.36 -0.20 0.24 0.00 0.00 -1.26 -4.95 105.19 99.37 1uca n GLY 185 Ca -0.03 -1.77 0.07 0.00 0.00 0.00 0.00 46.02 44.29 1uca n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uca h ALA 186 N -1.49 1.66 -2.66 4.61 0.00 -1.99 -3.41 119.26 115.97 1uca h ALA 186 Ca 0.00 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 1uca h ALA 186 Cb 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.59 1uca h ALA 186 CO 0.00 0.17 -0.70 -0.80 0.00 0.00 0.00 179.25 177.92 1uca s ASN 187 N -6.83 0.70 0.12 0.00 0.01 -1.26 -1.13 114.94 106.55 1uca s ASN 187 Ca -0.04 -0.76 -0.25 0.00 -0.71 0.00 0.00 52.86 51.09 1uca s ASN 187 Cb 0.15 0.10 0.07 0.00 0.41 0.00 0.00 41.25 41.99 1uca s ASN 187 CO 0.67 -0.39 0.82 0.72 -1.51 0.00 0.00 177.10 177.41 1uca s PHE 188 N -2.58 -0.31 0.01 2.20 -0.12 -0.93 -4.87 117.98 111.39 1uca s PHE 188 Ca -0.02 0.06 -0.18 0.00 -0.05 0.00 0.00 56.93 56.74 1uca s PHE 188 Cb -0.02 0.60 -0.06 0.00 -0.63 0.00 0.00 43.02 42.91 1uca s PHE 188 CO -0.04 -0.79 0.53 0.42 -0.05 0.00 0.00 175.22 175.29 1uca s ILE 189 N -3.42 4.91 0.00 -4.49 1.01 -0.08 -0.24 121.20 118.89 1uca s ILE 189 Ca 0.07 1.10 0.00 0.00 0.00 0.00 0.00 60.65 61.82 1uca s ILE 189 Cb -0.02 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.60 1uca s ILE 189 CO -0.04 0.49 0.00 0.33 0.00 0.00 0.00 174.94 175.72