#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uf9 s HIS 7 N 0.00 3.14 0.67 5.58 3.76 -1.26 -5.02 115.29 122.15 1uf9 s HIS 7 Ca 0.00 -0.48 -0.15 0.00 -0.15 0.00 0.00 55.06 54.28 1uf9 s HIS 7 Cb 0.00 -3.16 0.00 0.00 1.11 0.00 0.00 32.58 30.54 1uf9 s HIS 7 CO 0.00 -0.83 1.13 -1.25 -0.85 0.00 0.00 174.74 172.94 1uf9 s PRO 8 N 2.27 2.69 -0.12 8.40 0.04 -1.26 -4.99 135.00 142.03 1uf9 s PRO 8 Ca 0.13 1.48 -0.16 0.00 0.04 0.00 0.00 61.00 62.49 1uf9 s PRO 8 Cb -0.18 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1uf9 s PRO 8 CO 0.13 -1.35 0.38 0.96 0.04 0.00 0.00 177.00 177.15 1uf9 s ILE 9 N -2.23 5.23 -0.42 0.56 -4.36 0.51 -4.93 121.20 115.55 1uf9 s ILE 9 Ca 0.69 0.74 -0.16 0.00 -0.26 0.00 0.00 60.65 61.66 1uf9 s ILE 9 Cb -0.22 -3.71 0.02 0.00 1.25 0.00 0.00 42.46 39.80 1uf9 s ILE 9 CO 0.41 0.39 0.35 -0.63 0.24 0.00 0.00 174.94 175.70 1uf9 s ILE 10 N 0.29 5.21 -0.17 8.37 1.09 -1.26 -1.28 121.20 133.45 1uf9 s ILE 10 Ca 0.21 -0.61 -0.08 0.00 -1.10 0.00 0.00 60.65 59.08 1uf9 s ILE 10 Cb -0.14 -3.98 -0.04 0.00 -1.06 0.00 0.00 42.46 37.24 1uf9 s ILE 10 CO 0.08 -0.36 0.11 -0.63 -0.10 0.00 0.00 174.94 174.03 1uf9 s ILE 11 N 1.81 5.19 -0.20 2.92 -1.09 0.11 -2.00 121.20 127.94 1uf9 s ILE 11 Ca 0.07 0.10 -0.16 0.00 -2.23 0.00 0.00 60.65 58.43 1uf9 s ILE 11 Cb -0.19 -3.32 -0.04 0.00 -1.58 0.00 0.00 42.46 37.33 1uf9 s ILE 11 CO 0.11 0.50 0.41 -0.83 -1.23 0.00 0.00 174.94 173.90 1uf9 s GLY 12 N -0.05 2.08 -0.22 6.18 0.00 -0.41 -1.34 107.32 113.56 1uf9 s GLY 12 Ca 0.09 -0.52 -0.10 0.00 0.00 0.00 0.00 44.72 44.19 1uf9 s GLY 12 CO 0.00 0.85 0.13 -0.42 0.00 0.00 0.00 173.10 173.67 1uf9 s ILE 13 N 1.37 5.20 0.35 0.90 1.01 -0.60 0.85 121.20 130.26 1uf9 s ILE 13 Ca 0.20 0.12 0.05 0.00 0.00 0.00 0.00 60.65 61.01 1uf9 s ILE 13 Cb -0.15 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 1uf9 s ILE 13 CO 0.08 0.38 0.36 0.28 0.00 0.00 0.00 174.94 176.05 1uf9 s THR 14 N 0.87 0.00 0.00 2.92 -1.32 0.36 -2.73 115.64 115.73 1uf9 s THR 14 Ca 0.07 -1.85 0.00 0.00 -1.21 0.00 0.00 61.69 58.70 1uf9 s THR 14 Cb -0.13 -2.57 0.00 0.00 -1.51 0.00 0.00 72.50 68.29 1uf9 s THR 14 CO 0.03 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 1uf9 n GLY 15 N -0.63 1.63 4.00 6.08 0.00 -1.26 -1.10 105.19 113.90 1uf9 n GLY 15 Ca 0.05 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.86 1uf9 n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uf9 s ASN 16 N 0.00 4.07 0.15 1.61 -0.87 -1.26 -4.69 114.94 113.95 1uf9 s ASN 16 Ca 0.00 -0.44 -0.34 0.00 -1.57 0.00 0.00 52.86 50.51 1uf9 s ASN 16 Cb 0.00 0.19 -0.16 0.00 -0.02 0.00 0.00 41.25 41.26 1uf9 s ASN 16 CO 0.00 -2.07 1.16 -0.38 -2.57 0.00 0.00 177.10 173.25 1uf9 n ILE 17 N -2.98 0.72 -1.39 0.60 2.08 -1.26 -1.17 119.36 115.96 1uf9 n ILE 17 Ca 0.17 -0.18 -0.14 0.00 0.56 0.00 0.00 62.75 63.16 1uf9 n ILE 17 Cb 0.61 -0.76 -0.06 0.00 -0.75 0.00 0.00 39.64 38.68 1uf9 n ILE 17 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1uf9 n GLY 18 N 2.07 1.35 0.28 7.39 0.00 -1.26 -4.68 105.19 110.34 1uf9 n GLY 18 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.18 1uf9 n GLY 18 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1uf9 h SER 19 N 0.00 0.54 0.00 1.61 4.64 -1.47 -3.40 113.55 115.48 1uf9 h SER 19 Ca -0.29 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1uf9 h SER 19 Cb 1.16 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1uf9 h SER 19 CO 0.43 0.57 0.00 0.61 -0.87 0.00 0.00 176.83 177.57 1uf9 n GLY 20 N -0.95 0.79 0.43 -0.77 0.00 -1.26 -4.63 105.19 98.80 1uf9 n GLY 20 Ca 0.02 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.33 1uf9 n GLY 20 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1uf9 h LYS 21 N 3.96 0.25 -0.79 1.61 2.10 -1.89 0.48 116.57 122.28 1uf9 h LYS 21 Ca 0.00 -0.01 0.09 0.00 -2.00 0.00 0.00 60.65 58.73 1uf9 h LYS 21 Cb 0.00 -0.06 -0.05 0.00 -0.90 0.00 0.00 32.23 31.22 1uf9 h LYS 21 CO 0.00 0.16 0.52 0.77 -2.00 0.00 0.00 179.45 178.90 1uf9 h SER 22 N 0.26 0.66 -0.10 7.07 0.02 -1.98 0.44 113.55 119.91 1uf9 h SER 22 Ca 0.69 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.61 1uf9 h SER 22 Cb 1.96 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 64.36 1uf9 h SER 22 CO -0.36 0.40 -0.07 0.74 -1.14 0.00 0.00 176.83 176.39 1uf9 h THR 23 N 0.74 1.19 0.01 -2.27 2.02 -0.45 -0.11 112.91 114.04 1uf9 h THR 23 Ca 0.36 -0.81 -0.20 0.00 0.77 0.00 0.00 66.41 66.54 1uf9 h THR 23 Cb 0.44 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1uf9 h THR 23 CO -0.14 0.26 -0.91 0.58 0.37 0.00 0.00 175.52 175.69 1uf9 h VAL 24 N 0.37 1.55 -0.40 3.16 2.07 -0.17 -2.11 116.25 120.72 1uf9 h VAL 24 Ca 0.08 -2.83 -0.03 0.00 0.82 0.00 0.00 66.70 64.74 1uf9 h VAL 24 Cb 0.37 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 1uf9 h VAL 24 CO 0.02 0.82 0.15 0.00 0.02 0.00 0.00 177.57 178.57 1uf9 h ALA 25 N 1.01 0.52 -0.32 1.67 0.00 0.19 -2.50 119.26 119.84 1uf9 h ALA 25 Ca -0.04 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1uf9 h ALA 25 Cb 1.56 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1uf9 h ALA 25 CO 0.13 0.15 0.13 0.00 0.00 0.00 0.00 179.25 179.66 1uf9 h ALA 26 N 0.99 0.38 -0.85 0.00 0.00 -0.98 -2.05 119.26 116.75 1uf9 h ALA 26 Ca 0.13 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1uf9 h ALA 26 Cb 0.22 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1uf9 h ALA 26 CO -0.01 -0.26 0.48 -0.07 0.00 0.00 0.00 179.25 179.40 1uf9 h LEU 27 N 0.29 1.05 -0.23 0.00 3.38 -1.22 -1.21 115.31 117.36 1uf9 h LEU 27 Ca 0.14 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 1uf9 h LEU 27 Cb 0.08 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1uf9 h LEU 27 CO -0.12 0.83 -0.34 -0.07 0.09 0.00 0.00 178.44 178.83 1uf9 h LEU 28 N 1.18 0.69 -0.35 1.67 3.38 -1.25 -2.59 115.31 118.05 1uf9 h LEU 28 Ca 0.30 -0.51 0.03 0.00 0.09 0.00 0.00 57.88 57.78 1uf9 h LEU 28 Cb 0.00 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1uf9 h LEU 28 CO -0.05 1.07 0.17 0.03 0.09 0.00 0.00 178.44 179.75 1uf9 h ARG 29 N 0.33 0.34 -0.89 1.13 3.08 -1.09 -0.83 114.38 116.45 1uf9 h ARG 29 Ca 0.02 -0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.19 1uf9 h ARG 29 Cb 0.92 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.80 1uf9 h ARG 29 CO 0.08 0.22 0.50 0.77 -1.07 0.00 0.00 179.97 180.47 1uf9 h SER 30 N 0.35 0.66 0.21 7.04 0.02 -1.18 0.52 113.55 121.16 1uf9 h SER 30 Ca 0.15 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1uf9 h SER 30 Cb 0.07 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1uf9 h SER 30 CO -0.11 0.31 0.00 0.79 -1.14 0.00 0.00 176.83 176.68 1uf9 n TRP 31 N -4.79 0.00 -0.26 3.45 8.01 -0.43 -4.87 117.44 118.56 1uf9 n TRP 31 Ca 0.17 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.36 1uf9 n TRP 31 Cb 0.40 -0.14 0.00 0.00 -2.01 0.00 0.00 31.31 29.56 1uf9 n TRP 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1uf9 n GLY 32 N 0.51 0.67 3.83 6.99 0.00 0.18 -5.07 105.19 112.30 1uf9 n GLY 32 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1uf9 n GLY 32 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uf9 s TYR 33 N -2.43 3.34 0.06 1.61 1.51 -0.54 -4.96 117.35 115.94 1uf9 s TYR 33 Ca 0.00 1.51 -0.29 0.00 -1.01 0.00 0.00 57.07 57.28 1uf9 s TYR 33 Cb 0.00 -2.78 -0.05 0.00 -0.11 0.00 0.00 41.96 39.03 1uf9 s TYR 33 CO 0.00 -0.11 0.92 -2.14 -1.11 0.00 0.00 175.55 173.11 1uf9 s PRO 34 N -3.29 4.61 -0.11 -1.71 0.02 -1.26 -4.07 135.00 129.19 1uf9 s PRO 34 Ca 0.60 1.35 -0.03 0.00 0.02 0.00 0.00 61.00 62.95 1uf9 s PRO 34 Cb -0.09 -3.41 0.04 0.00 0.02 0.00 0.00 34.50 31.06 1uf9 s PRO 34 CO 0.17 0.13 0.04 0.08 -0.33 0.00 0.00 177.00 177.09 1uf9 s VAL 35 N 0.36 0.16 -0.10 3.83 1.01 -1.26 -1.65 120.40 122.76 1uf9 s VAL 35 Ca 0.47 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.36 1uf9 s VAL 35 Cb -0.22 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 1uf9 s VAL 35 CO 0.28 0.04 0.26 -0.76 0.00 0.00 0.00 175.10 174.92 1uf9 s LEU 36 N 2.04 4.37 -0.93 3.92 1.43 0.16 -4.92 118.68 124.76 1uf9 s LEU 36 Ca 0.03 0.62 -0.15 0.00 -1.03 0.00 0.00 54.13 53.61 1uf9 s LEU 36 Cb -0.14 -2.31 0.20 0.00 0.03 0.00 0.00 46.19 43.97 1uf9 s LEU 36 CO -0.06 0.29 0.98 -0.62 0.23 0.00 0.00 176.35 177.17 1uf9 s ASP 37 N -0.60 6.84 0.52 2.29 2.15 -1.26 -0.02 116.67 126.59 1uf9 s ASP 37 Ca 0.18 -2.67 0.41 0.00 0.43 0.00 0.00 52.55 50.89 1uf9 s ASP 37 Cb -0.14 -2.28 1.59 0.00 -0.30 0.00 0.00 42.92 41.80 1uf9 s ASP 37 CO 0.07 -0.68 1.65 -0.07 -0.17 0.00 0.00 175.17 175.96 1uf9 h LEU 38 N 8.51 0.08 -0.94 -1.34 -0.00 -1.79 1.31 115.31 121.13 1uf9 h LEU 38 Ca 0.15 0.04 -0.11 0.00 -0.00 0.00 0.00 57.88 57.96 1uf9 h LEU 38 Cb 1.00 0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 41.68 1uf9 h LEU 38 CO 0.93 -0.05 -0.40 -0.78 -0.00 0.00 0.00 178.44 178.14 1uf9 h ASP 39 N 0.04 0.26 -0.09 -0.43 3.58 -1.91 -1.31 116.42 116.56 1uf9 h ASP 39 Ca 0.81 -0.11 -0.17 0.00 0.42 0.00 0.00 57.03 57.98 1uf9 h ASP 39 Cb 3.02 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 44.01 1uf9 h ASP 39 CO -0.13 0.64 -0.63 0.00 -2.88 0.00 0.00 179.24 176.24 1uf9 h ALA 40 N 1.37 0.19 -0.59 -0.78 0.00 0.13 -2.90 119.26 116.68 1uf9 h ALA 40 Ca 0.02 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1uf9 h ALA 40 Cb 0.81 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1uf9 h ALA 40 CO 0.06 0.47 0.35 -0.07 0.00 0.00 0.00 179.25 180.06 1uf9 h LEU 41 N 0.19 0.71 -0.28 0.00 3.38 -1.05 -1.62 115.31 116.63 1uf9 h LEU 41 Ca -0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1uf9 h LEU 41 Cb 1.28 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1uf9 h LEU 41 CO 0.13 0.55 0.15 0.00 0.09 0.00 0.00 178.44 179.36 1uf9 h ALA 42 N 1.57 0.36 0.00 1.53 0.00 -1.17 -0.36 119.26 121.19 1uf9 h ALA 42 Ca 0.21 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1uf9 h ALA 42 Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1uf9 h ALA 42 CO -0.04 -0.10 -0.29 0.00 0.00 0.00 0.00 179.25 178.82 1uf9 h ALA 43 N 1.03 1.28 -0.02 0.00 0.00 -1.24 -0.30 119.26 120.01 1uf9 h ALA 43 Ca 0.10 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 1uf9 h ALA 43 Cb 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1uf9 h ALA 43 CO -0.02 0.36 -0.77 0.00 0.00 0.00 0.00 179.25 178.83 1uf9 h ARG 44 N 0.00 0.17 -0.26 0.00 3.08 -0.77 -2.82 114.38 113.78 1uf9 h ARG 44 Ca -0.00 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.80 1uf9 h ARG 44 Cb 0.60 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1uf9 h ARG 44 CO 0.04 0.86 -0.17 0.00 -1.07 0.00 0.00 179.97 179.62 1uf9 h ALA 45 N 1.09 0.38 0.00 0.04 0.00 -0.04 -1.96 119.26 118.78 1uf9 h ALA 45 Ca -0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1uf9 h ALA 45 Cb 1.35 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1uf9 h ALA 45 CO 0.11 0.29 -0.10 0.00 0.00 0.00 0.00 179.25 179.56 1uf9 h ARG 46 N 0.31 0.00 0.14 0.00 3.08 -1.06 0.01 114.38 116.86 1uf9 h ARG 46 Ca 0.05 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.82 1uf9 h ARG 46 Cb 0.70 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.78 1uf9 h ARG 46 CO 0.05 0.10 -1.21 0.93 -1.07 0.00 0.00 179.97 178.76 1uf9 h GLU 47 N 0.00 0.57 0.00 0.04 5.08 -1.27 0.27 114.58 119.27 1uf9 h GLU 47 Ca -0.00 -0.80 -0.03 0.00 -1.00 0.00 0.00 59.36 57.52 1uf9 h GLU 47 Cb 0.23 0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1uf9 h GLU 47 CO 0.01 1.37 -0.16 -0.91 -1.00 0.00 0.00 179.01 178.32 1uf9 h ASN 48 N 0.16 0.00 -0.38 1.42 2.35 -0.74 -2.90 115.58 115.49 1uf9 h ASN 48 Ca -0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1uf9 h ASN 48 Cb 1.91 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.28 1uf9 h ASN 48 CO 0.23 0.16 0.00 0.29 -1.65 0.00 0.00 177.43 176.46 1uf9 n LYS 49 N -3.36 2.90 0.06 0.81 4.76 -0.07 -4.73 118.16 118.54 1uf9 n LYS 49 Ca -0.00 -2.22 0.03 0.00 -2.87 0.00 0.00 58.31 53.25 1uf9 n LYS 49 Cb 0.38 -1.38 0.16 0.00 -1.84 0.00 0.00 35.03 32.35 1uf9 n LYS 49 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1uf9 n GLU 50 N 0.53 0.04 -0.05 1.97 2.13 0.94 -1.18 120.64 125.02 1uf9 n GLU 50 Ca 0.14 0.43 -0.03 0.00 0.66 0.00 0.00 57.16 58.37 1uf9 n GLU 50 Cb 0.51 -1.82 -0.01 0.00 0.27 0.00 0.00 31.44 30.39 1uf9 n GLU 50 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1uf9 h GLU 51 N 0.00 0.00 -0.96 5.31 3.07 -1.85 -2.52 114.58 117.63 1uf9 h GLU 51 Ca 0.00 0.00 0.25 0.00 -0.50 0.00 0.00 59.36 59.11 1uf9 h GLU 51 Cb 0.39 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.24 1uf9 h GLU 51 CO 0.00 0.00 0.66 1.49 -1.40 0.00 0.00 179.01 179.76 1uf9 h GLU 52 N -0.69 0.21 -0.13 2.33 4.57 -1.84 0.36 114.58 119.39 1uf9 h GLU 52 Ca 0.00 -0.01 -0.20 0.00 -1.18 0.00 0.00 59.36 57.96 1uf9 h GLU 52 Cb 0.31 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1uf9 h GLU 52 CO 0.00 0.14 -0.74 -0.07 -1.18 0.00 0.00 179.01 177.16 1uf9 h LEU 53 N 0.22 0.75 0.35 1.64 3.38 -1.29 -0.15 115.31 120.21 1uf9 h LEU 53 Ca 0.49 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1uf9 h LEU 53 Cb 1.56 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1uf9 h LEU 53 CO -0.13 1.26 -0.17 0.50 0.09 0.00 0.00 178.44 179.99 1uf9 h LYS 54 N 0.44 -0.45 -0.43 1.13 3.64 0.11 0.88 116.57 121.89 1uf9 h LYS 54 Ca -0.04 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1uf9 h LYS 54 Cb 1.35 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 33.23 1uf9 h LYS 54 CO 0.14 -0.27 0.22 -0.09 -2.27 0.00 0.00 179.45 177.18 1uf9 h ARG 55 N -0.52 0.43 -0.38 1.90 2.43 -1.13 -0.39 114.38 116.72 1uf9 h ARG 55 Ca -0.05 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.01 1uf9 h ARG 55 Cb 0.39 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1uf9 h ARG 55 CO 0.08 0.28 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.65 1uf9 h LEU 56 N 0.44 0.64 -5.88 3.80 4.07 -0.76 -3.32 115.31 114.31 1uf9 h LEU 56 Ca 0.18 -0.18 -0.58 0.00 0.08 0.00 0.00 57.88 57.39 1uf9 h LEU 56 Cb 0.08 -0.17 -0.41 0.00 1.08 0.00 0.00 40.66 41.23 1uf9 h LEU 56 CO -0.12 0.78 -0.76 0.49 -1.08 0.00 0.00 178.44 177.75 1uf9 n PHE 57 N -4.18 2.69 0.29 1.13 3.01 0.30 -4.87 117.46 115.83 1uf9 n PHE 57 Ca 0.01 -3.97 0.15 0.00 1.01 0.00 0.00 57.45 54.65 1uf9 n PHE 57 Cb 0.34 -0.49 0.88 0.00 -0.01 0.00 0.00 39.48 40.20 1uf9 n PHE 57 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1uf9 h PRO 58 N 3.66 0.00 -0.52 -1.08 0.13 -1.19 -2.50 132.00 130.50 1uf9 h PRO 58 Ca 0.15 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.38 1uf9 h PRO 58 Cb 0.69 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.73 1uf9 h PRO 58 CO 0.73 0.05 0.01 0.93 -0.23 0.00 0.00 178.00 179.49 1uf9 h GLU 59 N 0.00 0.12 0.00 0.86 3.07 -1.89 -3.39 114.58 113.36 1uf9 h GLU 59 Ca -0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1uf9 h GLU 59 Cb 0.16 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1uf9 h GLU 59 CO 0.01 0.08 0.00 0.00 -1.40 0.00 0.00 179.01 177.70 1uf9 n ALA 60 N -2.69 0.00 -2.79 3.43 0.00 -0.94 -4.91 120.51 112.62 1uf9 n ALA 60 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.47 1uf9 n ALA 60 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 1uf9 n ALA 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1uf9 n VAL 61 N 0.00-11.38 -3.59 0.00 0.31 -1.26 -4.89 118.33 97.52 1uf9 n VAL 61 Ca 0.00 1.49 -0.40 0.00 -0.01 0.00 0.00 64.34 65.42 1uf9 n VAL 61 Cb 0.00 -6.91 -0.08 0.00 -0.91 0.00 0.00 33.84 25.95 1uf9 n VAL 61 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1uf9 s VAL 62 N -1.93 4.23 0.00 2.52 1.01 -0.89 -4.54 120.40 120.80 1uf9 s VAL 62 Ca 0.09 -2.44 0.00 0.00 0.00 0.00 0.00 61.98 59.62 1uf9 s VAL 62 Cb -0.02 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1uf9 s VAL 62 CO 0.76 -0.87 0.00 0.61 0.00 0.00 0.00 175.10 175.61 1uf9 n GLY 63 N 4.09 1.14 2.70 4.51 0.00 -1.26 -4.12 105.19 112.24 1uf9 n GLY 63 Ca 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1uf9 n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uf9 n GLY 64 N -0.57 0.77 3.10 -0.02 0.00 -1.26 -5.00 105.19 102.20 1uf9 n GLY 64 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1uf9 n GLY 64 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1uf9 s ARG 65 N -0.08 2.63 -0.83 1.61 1.70 -1.26 -5.04 118.95 117.68 1uf9 s ARG 65 Ca 0.00 -1.08 -0.21 0.00 -0.47 0.00 0.00 55.73 53.97 1uf9 s ARG 65 Cb 0.00 -2.74 -0.18 0.00 -0.57 0.00 0.00 34.95 31.46 1uf9 s ARG 65 CO 0.00 -0.39 2.05 -0.11 -1.08 0.00 0.00 175.30 175.77 1uf9 n LEU 66 N 4.53 0.72 -4.59 -1.89 7.94 -1.26 -2.09 117.00 120.36 1uf9 n LEU 66 Ca -0.18 -1.85 -0.41 0.00 -1.11 0.00 0.00 56.01 52.46 1uf9 n LEU 66 Cb 0.46 -1.44 -0.03 0.00 0.53 0.00 0.00 43.42 42.95 1uf9 n LEU 66 CO 0.24 -2.87 1.64 -0.62 -1.11 0.00 0.00 177.39 174.68 1uf9 s ASP 67 N 7.22 5.57 0.24 1.96 -1.08 -1.26 -4.81 116.67 124.52 1uf9 s ASP 67 Ca 0.78 1.21 -0.05 0.00 -0.52 0.00 0.00 52.55 53.97 1uf9 s ASP 67 Cb -0.14 -2.52 0.34 0.00 -1.46 0.00 0.00 42.92 39.13 1uf9 s ASP 67 CO 0.17 -1.98 1.86 0.08 0.52 0.00 0.00 175.17 175.81 1uf9 h ARG 68 N 14.25 0.99 -0.72 4.34 0.11 -1.97 -1.58 114.38 129.81 1uf9 h ARG 68 Ca -0.33 -0.06 0.09 0.00 0.10 0.00 0.00 59.98 59.79 1uf9 h ARG 68 Cb 1.19 -0.22 -0.12 0.00 1.11 0.00 0.00 29.97 31.93 1uf9 h ARG 68 CO 1.06 0.66 -0.48 0.00 0.10 0.00 0.00 179.97 181.31 1uf9 h ARG 69 N 1.02 -0.16 -0.00 0.08 3.08 -1.98 1.20 114.38 117.62 1uf9 h ARG 69 Ca 0.38 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.36 1uf9 h ARG 69 Cb 0.15 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1uf9 h ARG 69 CO -0.17 -0.10 -0.39 0.00 -1.07 0.00 0.00 179.97 178.23 1uf9 h ALA 70 N 0.63 1.34 0.00 0.04 0.00 -1.90 -1.05 119.26 118.33 1uf9 h ALA 70 Ca 0.19 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1uf9 h ALA 70 Cb 0.54 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1uf9 h ALA 70 CO -0.78 0.50 -0.39 1.25 0.00 0.00 0.00 179.25 179.83 1uf9 h LEU 71 N 0.01 0.00 0.00 0.00 7.12 0.13 1.06 115.31 123.63 1uf9 h LEU 71 Ca -0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1uf9 h LEU 71 Cb 0.70 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.83 1uf9 h LEU 71 CO 0.05 0.39 -0.61 0.00 -0.13 0.00 0.00 178.44 178.14 1uf9 n ALA 72 N -2.41 3.76 -0.05 1.25 0.00 0.35 -2.51 120.51 120.90 1uf9 n ALA 72 Ca -0.01 -0.40 -0.20 0.00 0.00 0.00 0.00 53.44 52.83 1uf9 n ALA 72 Cb 0.44 -1.05 -0.13 0.00 0.00 0.00 0.00 19.45 18.71 1uf9 n ALA 72 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1uf9 h ARG 73 N 0.00 0.10 -0.63 0.00 2.43 -0.15 -2.21 114.38 113.91 1uf9 h ARG 73 Ca 0.00 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 58.98 1uf9 h ARG 73 Cb 0.51 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 1uf9 h ARG 73 CO 0.00 1.08 0.32 1.25 -1.51 0.00 0.00 179.97 181.11 1uf9 h LEU 74 N -0.71 0.82 0.07 3.80 5.85 0.10 -3.14 115.31 122.10 1uf9 h LEU 74 Ca -0.25 -0.12 -0.27 0.00 0.84 0.00 0.00 57.88 58.08 1uf9 h LEU 74 Cb 1.43 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 1uf9 h LEU 74 CO -0.05 0.71 -1.33 0.58 -0.34 0.00 0.00 178.44 178.00 1uf9 h VAL 75 N 0.87 1.36 -0.03 1.05 2.07 -1.64 -3.22 116.25 116.70 1uf9 h VAL 75 Ca 0.22 -3.03 0.01 0.00 0.82 0.00 0.00 66.70 64.72 1uf9 h VAL 75 Cb 0.10 2.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1uf9 h VAL 75 CO -0.03 0.84 0.10 0.15 0.02 0.00 0.00 177.57 178.65 1uf9 h PHE 76 N 0.04 0.00 0.00 1.57 3.57 -1.38 -3.36 116.94 117.37 1uf9 h PHE 76 Ca -0.15 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1uf9 h PHE 76 Cb 1.93 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.67 1uf9 h PHE 76 CO 0.04 0.00 0.00 0.45 -2.23 0.00 0.00 178.31 176.57 1uf9 n SER 77 N -3.27 0.00 -4.70 0.41 2.88 -1.19 -4.82 113.62 102.93 1uf9 n SER 77 Ca -0.02 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.10 1uf9 n SER 77 Cb 0.18 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.61 1uf9 n SER 77 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1uf9 s ASP 78 N -1.79 6.85 0.63 -3.46 -4.77 -1.26 -4.90 116.67 107.97 1uf9 s ASP 78 Ca 0.00 2.17 0.41 0.00 -3.30 0.00 0.00 52.55 51.83 1uf9 s ASP 78 Cb 0.00 -2.57 2.15 0.00 -1.09 0.00 0.00 42.92 41.41 1uf9 s ASP 78 CO 0.00 -0.69 2.28 1.55 0.70 0.00 0.00 175.17 179.01 1uf9 h PRO 79 N 7.51 0.00 0.00 2.11 0.13 -1.88 -0.75 132.00 139.12 1uf9 h PRO 79 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1uf9 h PRO 79 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1uf9 h PRO 79 CO 0.89 0.01 0.00 -1.91 -0.23 0.00 0.00 178.00 176.75 1uf9 n GLU 80 N -3.17 0.49 -0.01 0.86 4.07 -1.26 -1.88 120.64 119.74 1uf9 n GLU 80 Ca -0.02 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.10 1uf9 n GLU 80 Cb 0.12 -1.50 -0.05 0.00 -0.06 0.00 0.00 31.44 29.95 1uf9 n GLU 80 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1uf9 n ARG 81 N -1.01 1.05 0.02 5.31 3.00 -0.29 -4.49 116.66 120.25 1uf9 n ARG 81 Ca 0.12 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.85 57.92 1uf9 n ARG 81 Cb 0.06 -1.16 -0.00 0.00 0.00 0.00 0.00 32.46 31.35 1uf9 n ARG 81 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1uf9 h LEU 82 N 0.00 -0.04 -1.81 6.15 5.85 -1.40 -2.78 115.31 121.28 1uf9 h LEU 82 Ca -0.05 0.00 0.50 0.00 0.84 0.00 0.00 57.88 59.16 1uf9 h LEU 82 Cb 0.65 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.60 1uf9 h LEU 82 CO 0.00 -0.02 1.16 0.11 -0.34 0.00 0.00 178.44 179.35 1uf9 h LYS 83 N -0.06 0.02 0.25 1.25 1.57 -1.84 0.84 116.57 118.61 1uf9 h LYS 83 Ca -0.00 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1uf9 h LYS 83 Cb 0.04 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1uf9 h LYS 83 CO 0.01 0.02 -0.12 0.00 -0.57 0.00 0.00 179.45 178.78 1uf9 h ALA 84 N 1.25 -0.34 0.13 3.86 0.00 -1.75 0.98 119.26 123.41 1uf9 h ALA 84 Ca 0.85 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.66 1uf9 h ALA 84 Cb 3.18 0.13 0.00 0.00 0.00 0.00 0.00 17.79 21.10 1uf9 h ALA 84 CO -0.14 -0.67 -0.06 1.25 0.00 0.00 0.00 179.25 179.63 1uf9 h LEU 85 N -0.38 -0.15 -1.91 0.00 5.85 0.88 -1.24 115.31 118.36 1uf9 h LEU 85 Ca -0.03 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.60 1uf9 h LEU 85 Cb 0.29 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1uf9 h LEU 85 CO 0.06 0.03 0.40 -0.33 -0.34 0.00 0.00 178.44 178.26 1uf9 h GLU 86 N -0.33 0.00 -0.29 1.25 5.08 -0.90 0.42 114.58 119.81 1uf9 h GLU 86 Ca -0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1uf9 h GLU 86 Cb 0.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1uf9 h GLU 86 CO 0.03 0.00 -0.07 0.00 -1.00 0.00 0.00 179.01 177.97 1uf9 h ALA 87 N 1.33 1.34 0.00 3.43 0.00 0.47 -2.64 119.26 123.19 1uf9 h ALA 87 Ca 0.07 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1uf9 h ALA 87 Cb 0.87 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1uf9 h ALA 87 CO -0.00 0.45 -0.86 0.28 0.00 0.00 0.00 179.25 179.12 1uf9 n VAL 88 N -4.25 1.46 0.08 0.00 0.31 0.14 -4.49 118.33 111.59 1uf9 n VAL 88 Ca 0.01 0.13 -0.08 0.00 -0.01 0.00 0.00 64.34 64.39 1uf9 n VAL 88 Cb 0.28 -2.30 -0.04 0.00 -0.91 0.00 0.00 33.84 30.87 1uf9 n VAL 88 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1uf9 h VAL 89 N -1.00 0.00 -0.79 2.52 2.07 -1.44 -3.19 116.25 114.42 1uf9 h VAL 89 Ca -0.10 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.54 1uf9 h VAL 89 Cb 0.80 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.45 1uf9 h VAL 89 CO -0.06 0.00 -0.32 1.41 0.02 0.00 0.00 177.57 178.63 1uf9 n HIS 90 N -3.75 0.01 -0.02 1.57 -0.00 -0.99 -0.68 115.22 111.36 1uf9 n HIS 90 Ca -0.04 0.98 -0.10 0.00 -0.00 0.00 0.00 57.72 58.56 1uf9 n HIS 90 Cb 0.19 -0.79 -0.04 0.00 -0.00 0.00 0.00 29.99 29.36 1uf9 n HIS 90 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1uf9 h PRO 91 N 0.00 0.06 -0.69 -0.41 0.11 -1.76 -2.26 132.00 127.04 1uf9 h PRO 91 Ca 0.27 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.45 1uf9 h PRO 91 Cb 0.47 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.52 1uf9 h PRO 91 CO -0.79 0.04 0.46 1.49 -0.21 0.00 0.00 178.00 178.99 1uf9 h GLU 92 N 0.06 0.64 -0.43 1.05 4.57 -0.89 -2.29 114.58 117.29 1uf9 h GLU 92 Ca 0.07 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.14 1uf9 h GLU 92 Cb 0.08 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 1uf9 h GLU 92 CO -0.11 0.42 0.01 0.28 -1.18 0.00 0.00 179.01 178.43 1uf9 h VAL 93 N 0.66 1.26 -0.23 0.32 2.07 -0.58 -1.28 116.25 118.47 1uf9 h VAL 93 Ca 0.31 -1.01 -0.09 0.00 0.82 0.00 0.00 66.70 66.72 1uf9 h VAL 93 Cb 0.35 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1uf9 h VAL 93 CO -0.10 0.35 -0.26 0.03 0.02 0.00 0.00 177.57 177.61 1uf9 h ARG 94 N 0.59 0.44 0.16 1.57 3.08 -1.10 0.70 114.38 119.82 1uf9 h ARG 94 Ca 0.12 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1uf9 h ARG 94 Cb 0.47 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1uf9 h ARG 94 CO 0.02 0.66 -0.29 -0.09 -1.07 0.00 0.00 179.97 179.20 1uf9 h ARG 95 N 0.39 -0.51 -0.03 0.04 1.12 -1.12 -2.15 114.38 112.11 1uf9 h ARG 95 Ca 0.06 0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.97 1uf9 h ARG 95 Cb 0.66 0.12 -0.00 0.00 -0.01 0.00 0.00 29.97 30.73 1uf9 h ARG 95 CO 0.05 -0.34 0.00 -0.07 -3.11 0.00 0.00 179.97 176.50 1uf9 h LEU 96 N -0.53 -0.01 -1.23 3.80 3.38 -0.84 0.10 115.31 119.98 1uf9 h LEU 96 Ca 0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1uf9 h LEU 96 Cb 0.54 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1uf9 h LEU 96 CO -0.14 0.00 0.00 -0.11 0.09 0.00 0.00 178.44 178.28 1uf9 n LEU 97 N -5.09 0.00 0.00 1.67 7.94 0.24 -1.19 117.00 120.57 1uf9 n LEU 97 Ca -0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 1uf9 n LEU 97 Cb 0.04 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.99 1uf9 n LEU 97 CO 0.32 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.81 1uf9 n GLU 99 N 0.40 0.00 0.32 1.96 2.13 0.35 -1.44 120.64 124.36 1uf9 n GLU 99 Ca 0.00 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.64 1uf9 n GLU 99 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 1uf9 n GLU 99 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1uf9 h GLU 100 N 0.00 -0.91 -1.10 5.31 4.39 -1.43 -2.06 114.58 118.78 1uf9 h GLU 100 Ca 0.00 0.06 0.31 0.00 0.34 0.00 0.00 59.36 60.07 1uf9 h GLU 100 Cb 0.00 0.21 -0.10 0.00 -0.10 0.00 0.00 28.75 28.75 1uf9 h GLU 100 CO 0.00 -0.61 0.71 -0.07 -1.16 0.00 0.00 179.01 177.88 1uf9 h LEU 101 N -0.94 0.40 -1.64 1.33 3.38 -1.50 1.34 115.31 117.67 1uf9 h LEU 101 Ca -0.06 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1uf9 h LEU 101 Cb 0.80 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1uf9 h LEU 101 CO 0.01 0.02 0.13 -1.28 0.09 0.00 0.00 178.44 177.41 1uf9 h SER 102 N 0.32 0.32 1.34 -0.43 0.87 -1.63 -1.61 113.55 112.73 1uf9 h SER 102 Ca 0.65 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.19 1uf9 h SER 102 Cb 1.76 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.64 1uf9 h SER 102 CO -0.33 0.28 0.00 0.54 -0.53 0.00 0.00 176.83 176.79 1uf9 n ARG 103 N -4.45 0.19 -3.34 2.24 1.74 0.46 -4.87 116.66 108.63 1uf9 n ARG 103 Ca 0.01 0.15 -0.35 0.00 -0.77 0.00 0.00 57.85 56.89 1uf9 n ARG 103 Cb 0.11 -1.72 -0.06 0.00 -1.02 0.00 0.00 32.46 29.77 1uf9 n ARG 103 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1uf9 s LEU 104 N -4.09 4.34 -0.08 0.55 1.43 -0.61 -4.97 118.68 115.24 1uf9 s LEU 104 Ca 0.12 1.10 0.12 0.00 -1.03 0.00 0.00 54.13 54.43 1uf9 s LEU 104 Cb 0.14 -3.29 0.20 0.00 0.03 0.00 0.00 46.19 43.27 1uf9 s LEU 104 CO 0.58 0.10 1.12 -0.62 0.23 0.00 0.00 176.35 177.75 1uf9 n GLU 105 N 0.79 2.07 -3.32 1.70 1.02 -1.26 -5.02 120.64 116.62 1uf9 n GLU 105 Ca -0.05 -2.18 -0.38 0.00 -0.02 0.00 0.00 57.16 54.52 1uf9 n GLU 105 Cb 0.52 -1.33 -0.06 0.00 -0.02 0.00 0.00 31.44 30.55 1uf9 n GLU 105 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1uf9 s ALA 106 N -2.12 3.61 0.08 0.62 0.00 -1.26 -4.96 121.76 117.73 1uf9 s ALA 106 Ca 0.21 -0.02 0.28 0.00 0.00 0.00 0.00 51.96 52.43 1uf9 s ALA 106 Cb 0.18 -2.59 1.07 0.00 0.00 0.00 0.00 23.12 21.78 1uf9 s ALA 106 CO 0.03 0.40 1.88 -1.00 0.00 0.00 0.00 175.76 177.07 1uf9 h PRO 107 N 4.64 0.00 -4.58 0.00 0.13 -1.95 -3.41 132.00 126.83 1uf9 h PRO 107 Ca -0.50 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.06 1uf9 h PRO 107 Cb 1.21 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.99 1uf9 h PRO 107 CO 0.63 0.11 -0.82 -1.17 -0.23 0.00 0.00 178.00 176.52 1uf9 s LEU 108 N -6.48 1.57 0.02 1.56 0.20 -1.26 -0.36 118.68 113.92 1uf9 s LEU 108 Ca 0.01 -0.41 0.06 0.00 0.69 0.00 0.00 54.13 54.49 1uf9 s LEU 108 Cb 0.09 -1.04 -0.02 0.00 -0.43 0.00 0.00 46.19 44.79 1uf9 s LEU 108 CO 0.60 -0.04 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.75 1uf9 s VAL 109 N 1.30 1.44 -0.02 1.68 1.01 -0.40 -4.41 120.40 121.00 1uf9 s VAL 109 Ca -0.01 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.07 1uf9 s VAL 109 Cb -0.14 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 1uf9 s VAL 109 CO -0.06 0.26 -0.16 -0.36 0.00 0.00 0.00 175.10 174.78 1uf9 s PHE 110 N -0.62 2.64 -0.14 5.22 0.40 -0.66 0.06 117.98 124.88 1uf9 s PHE 110 Ca 0.06 -0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.21 1uf9 s PHE 110 Cb -0.08 -1.57 0.01 0.00 0.51 0.00 0.00 43.02 41.89 1uf9 s PHE 110 CO 0.01 0.20 -0.21 -0.51 0.70 0.00 0.00 175.22 175.40 1uf9 s LEU 111 N -0.98 2.16 -0.64 -0.37 1.43 -0.45 -0.66 118.68 119.17 1uf9 s LEU 111 Ca 0.13 -0.58 -0.23 0.00 -1.03 0.00 0.00 54.13 52.41 1uf9 s LEU 111 Cb -0.11 -1.46 0.06 0.00 0.03 0.00 0.00 46.19 44.72 1uf9 s LEU 111 CO 0.02 0.09 0.97 -0.70 0.23 0.00 0.00 176.35 176.96 1uf9 s GLU 112 N 0.78 3.16 -0.43 1.70 2.12 0.97 -1.56 118.70 125.44 1uf9 s GLU 112 Ca -0.08 -0.67 0.02 0.00 0.36 0.00 0.00 54.97 54.61 1uf9 s GLU 112 Cb -0.16 -4.18 0.12 0.00 0.26 0.00 0.00 34.13 30.17 1uf9 s GLU 112 CO -0.01 -1.75 0.17 0.42 -0.54 0.00 0.00 175.26 173.55 1uf9 s ILE 113 N 4.13 2.71 0.51 -3.70 1.01 -1.11 -2.08 121.20 122.67 1uf9 s ILE 113 Ca 0.25 -2.60 -0.21 0.00 0.00 0.00 0.00 60.65 58.09 1uf9 s ILE 113 Cb -0.15 -2.91 -0.06 0.00 0.01 0.00 0.00 42.46 39.35 1uf9 s ILE 113 CO 0.13 -0.70 1.19 -2.16 0.00 0.00 0.00 174.94 173.40 1uf9 s PRO 114 N 0.55 3.44 -1.25 2.79 0.04 -1.26 -1.94 135.00 137.36 1uf9 s PRO 114 Ca 0.13 1.80 -0.06 0.00 0.04 0.00 0.00 61.00 62.90 1uf9 s PRO 114 Cb -0.22 -2.20 0.01 0.00 0.04 0.00 0.00 34.50 32.13 1uf9 s PRO 114 CO -0.05 -0.82 0.79 1.28 0.04 0.00 0.00 177.00 178.24 1uf9 n LEU 115 N -0.95 -2.90 0.35 -3.56 4.77 -1.26 -4.92 117.00 108.52 1uf9 n LEU 115 Ca 0.10 -0.36 -0.18 0.00 -0.03 0.00 0.00 56.01 55.54 1uf9 n LEU 115 Cb 0.49 -2.67 -0.09 0.00 -2.33 0.00 0.00 43.42 38.82 1uf9 n LEU 115 CO 0.46 0.40 0.60 0.25 -1.33 0.00 0.00 177.39 177.77 1uf9 h LEU 116 N -1.81 -1.00 -0.31 2.23 6.46 -1.76 -2.34 115.31 116.77 1uf9 h LEU 116 Ca -0.48 0.06 -0.14 0.00 -0.12 0.00 0.00 57.88 57.21 1uf9 h LEU 116 Cb 1.32 0.30 -0.00 0.00 -0.73 0.00 0.00 40.66 41.54 1uf9 h LEU 116 CO 0.49 -0.61 -0.34 -0.26 -0.62 0.00 0.00 178.44 177.10 1uf9 h PHE 117 N -0.96 0.94 -0.98 1.25 0.05 -1.91 -1.99 116.94 113.33 1uf9 h PHE 117 Ca -0.08 -0.29 0.10 0.00 3.82 0.00 0.00 57.97 61.52 1uf9 h PHE 117 Cb 0.79 -0.19 -0.08 0.00 2.00 0.00 0.00 35.95 38.47 1uf9 h PHE 117 CO -0.11 1.07 0.62 0.93 -0.18 0.00 0.00 178.31 180.63 1uf9 h GLU 118 N 0.54 1.01 -0.97 1.51 3.07 -1.94 -2.81 114.58 114.99 1uf9 h GLU 118 Ca 0.05 -0.06 -0.49 0.00 -0.50 0.00 0.00 59.36 58.36 1uf9 h GLU 118 Cb 0.92 -0.23 -0.29 0.00 -0.84 0.00 0.00 28.75 28.32 1uf9 h GLU 118 CO 0.08 0.67 0.62 1.63 -1.40 0.00 0.00 179.01 180.61 1uf9 n LYS 119 N -4.59 2.42 -1.97 2.33 4.76 -0.89 -4.92 118.16 115.30 1uf9 n LYS 119 Ca 0.17 -3.02 -0.08 0.00 -2.87 0.00 0.00 58.31 52.51 1uf9 n LYS 119 Cb 0.28 -2.18 -0.01 0.00 -1.84 0.00 0.00 35.03 31.28 1uf9 n LYS 119 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1uf9 n GLY 120 N -1.04 0.23 0.11 0.72 0.00 -1.06 -4.96 105.19 99.19 1uf9 n GLY 120 Ca 0.58 -0.57 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 1uf9 n GLY 120 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1uf9 h TRP 121 N 0.00 0.00 -1.53 1.61 4.06 -1.57 -3.38 115.95 115.14 1uf9 h TRP 121 Ca -0.19 0.00 0.45 0.00 2.06 0.00 0.00 58.89 61.22 1uf9 h TRP 121 Cb 1.02 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 29.09 1uf9 h TRP 121 CO 0.22 0.65 1.07 1.49 -3.56 0.00 0.00 178.44 178.31 1uf9 h GLU 122 N 0.00 0.04 -0.01 0.49 4.81 -1.87 0.45 114.58 118.50 1uf9 h GLU 122 Ca -0.07 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1uf9 h GLU 122 Cb 1.56 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.93 1uf9 h GLU 122 CO 0.07 0.03 -0.45 0.41 -0.73 0.00 0.00 179.01 178.34 1uf9 n GLY 123 N -1.76 -0.53 1.56 1.92 0.00 -1.26 -3.66 105.19 101.46 1uf9 n GLY 123 Ca 0.36 -0.50 0.10 0.00 0.00 0.00 0.00 46.02 45.98 1uf9 n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uf9 n ARG 124 N -0.66 3.54 -4.35 1.61 1.74 0.16 -4.94 116.66 113.75 1uf9 n ARG 124 Ca 0.09 -2.83 -0.18 0.00 -0.77 0.00 0.00 57.85 54.16 1uf9 n ARG 124 Cb 0.38 -1.84 -0.10 0.00 -1.02 0.00 0.00 32.46 29.89 1uf9 n ARG 124 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1uf9 s LEU 125 N -1.66 2.55 0.00 0.55 1.43 -1.16 -5.02 118.68 115.37 1uf9 s LEU 125 Ca 0.51 -1.03 0.25 0.00 -1.03 0.00 0.00 54.13 52.83 1uf9 s LEU 125 Cb 0.32 -0.67 0.47 0.00 0.03 0.00 0.00 46.19 46.33 1uf9 s LEU 125 CO 0.27 -0.18 1.38 1.41 0.23 0.00 0.00 176.35 179.46 1uf9 n HIS 126 N -0.39 0.00 0.00 0.29 8.25 -0.85 -4.97 115.22 117.56 1uf9 n HIS 126 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1uf9 n HIS 126 Cb 0.60 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.61 1uf9 n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1uf9 n GLY 127 N 1.39 1.90 3.28 -1.41 0.00 -1.26 -5.01 105.19 104.08 1uf9 n GLY 127 Ca 0.10 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 1uf9 n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uf9 s THR 128 N -2.00 1.81 -0.22 2.61 -4.23 -1.26 -1.29 115.64 111.07 1uf9 s THR 128 Ca 0.00 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1uf9 s THR 128 Cb 0.00 -1.57 0.03 0.00 1.34 0.00 0.00 72.50 72.29 1uf9 s THR 128 CO 0.00 0.23 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.97 1uf9 s LEU 129 N -1.26 2.78 -0.27 4.79 2.96 0.25 -1.21 118.68 126.72 1uf9 s LEU 129 Ca 0.09 -0.83 -0.08 0.00 -0.22 0.00 0.00 54.13 53.09 1uf9 s LEU 129 Cb -0.09 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 1uf9 s LEU 129 CO 0.02 -0.08 0.09 -0.22 -1.32 0.00 0.00 176.35 174.84 1uf9 s LEU 130 N 1.29 3.67 -0.34 -0.68 1.98 0.11 -0.49 118.68 124.21 1uf9 s LEU 130 Ca 0.01 -0.39 -0.17 0.00 -2.89 0.00 0.00 54.13 50.69 1uf9 s LEU 130 Cb -0.15 -1.93 -0.01 0.00 0.66 0.00 0.00 46.19 44.76 1uf9 s LEU 130 CO -0.08 -0.11 0.45 -0.69 -1.89 0.00 0.00 176.35 174.04 1uf9 s VAL 131 N 1.59 5.08 0.34 1.68 1.01 -0.26 -0.35 120.40 129.48 1uf9 s VAL 131 Ca 0.05 0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.38 1uf9 s VAL 131 Cb -0.16 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.26 1uf9 s VAL 131 CO 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 175.10 174.96 1uf9 s ALA 132 N 2.24 3.12 -0.22 5.51 0.00 -0.07 -4.40 121.76 127.94 1uf9 s ALA 132 Ca 0.16 -1.98 -0.31 0.00 0.00 0.00 0.00 51.96 49.84 1uf9 s ALA 132 Cb -0.16 -0.30 0.16 0.00 0.00 0.00 0.00 23.12 22.82 1uf9 s ALA 132 CO 0.12 0.09 1.20 0.00 0.00 0.00 0.00 175.76 177.17 1uf9 s ALA 133 N -2.53 -2.04 0.02 0.00 0.00 -1.26 -3.64 121.76 112.29 1uf9 s ALA 133 Ca 0.34 1.73 -0.37 0.00 0.00 0.00 0.00 51.96 53.66 1uf9 s ALA 133 Cb 0.00 -0.98 -0.16 0.00 0.00 0.00 0.00 23.12 21.99 1uf9 s ALA 133 CO 0.18 -0.33 1.51 -2.30 0.00 0.00 0.00 175.76 174.82 1uf9 n PRO 134 N 0.48 1.42 -0.23 0.00 -0.02 -1.26 -4.69 135.00 130.70 1uf9 n PRO 134 Ca -0.04 0.52 -0.06 0.00 -2.02 0.00 0.00 63.50 61.90 1uf9 n PRO 134 Cb 0.58 -2.21 -0.01 0.00 -0.02 0.00 0.00 33.50 31.85 1uf9 n PRO 134 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1uf9 h LEU 135 N 5.69 -1.36 -0.32 2.45 5.85 -1.97 0.83 115.31 126.48 1uf9 h LEU 135 Ca -0.47 0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.57 1uf9 h LEU 135 Cb 1.31 0.65 -0.08 0.00 0.37 0.00 0.00 40.66 42.91 1uf9 h LEU 135 CO 0.85 -0.32 -0.21 -0.08 -0.34 0.00 0.00 178.44 178.34 1uf9 h GLU 136 N -0.17 -0.17 -0.66 1.25 4.57 -1.98 2.09 114.58 119.50 1uf9 h GLU 136 Ca 0.22 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.47 1uf9 h GLU 136 Cb 0.56 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.13 1uf9 h GLU 136 CO -0.72 -0.11 0.36 1.49 -1.18 0.00 0.00 179.01 178.85 1uf9 h GLU 137 N -0.18 0.65 -0.36 1.92 4.81 -1.33 0.11 114.58 120.20 1uf9 h GLU 137 Ca 0.17 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1uf9 h GLU 137 Cb 0.43 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1uf9 h GLU 137 CO -0.43 0.43 0.05 0.00 -0.73 0.00 0.00 179.01 178.33 1uf9 h ARG 138 N 0.67 0.60 -0.72 1.92 3.08 0.36 0.13 114.38 120.42 1uf9 h ARG 138 Ca 0.30 -0.17 0.06 0.00 0.07 0.00 0.00 59.98 60.24 1uf9 h ARG 138 Cb 0.20 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.12 1uf9 h ARG 138 CO -0.19 0.68 0.42 0.28 -1.07 0.00 0.00 179.97 180.09 1uf9 h VAL 139 N 0.44 1.00 -0.29 2.04 2.07 0.45 0.41 116.25 122.37 1uf9 h VAL 139 Ca 0.11 -0.27 -0.18 0.00 0.82 0.00 0.00 66.70 67.18 1uf9 h VAL 139 Cb 0.37 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1uf9 h VAL 139 CO 0.01 0.14 -0.53 0.03 0.02 0.00 0.00 177.57 177.24 1uf9 h ARG 140 N 0.77 0.87 -0.92 1.57 3.08 -0.71 -3.00 114.38 116.03 1uf9 h ARG 140 Ca 0.32 -0.55 0.07 0.00 0.07 0.00 0.00 59.98 59.89 1uf9 h ARG 140 Cb 0.17 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 1uf9 h ARG 140 CO -0.17 1.18 0.60 -0.09 -1.07 0.00 0.00 179.97 180.42 1uf9 h ARG 141 N 0.65 1.01 -1.28 0.04 2.43 0.40 -2.14 114.38 115.49 1uf9 h ARG 141 Ca 0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1uf9 h ARG 141 Cb 1.14 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1uf9 h ARG 141 CO 0.12 0.67 0.00 0.28 -1.51 0.00 0.00 179.97 179.53 1uf9 n VAL 142 N -4.49 1.18 0.00 0.20 0.31 0.13 -2.10 118.33 113.55 1uf9 n VAL 142 Ca 0.14 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1uf9 n VAL 142 Cb 0.21 -1.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 1uf9 n VAL 142 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1uf9 n ALA 144 N 0.77 0.00 0.39 3.52 0.00 -0.81 -1.22 120.51 123.16 1uf9 n ALA 144 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1uf9 n ALA 144 Cb 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.83 1uf9 n ALA 144 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1uf9 h ARG 145 N 0.00 -1.08 -0.01 0.00 2.43 -1.68 -3.31 114.38 110.73 1uf9 h ARG 145 Ca 0.00 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1uf9 h ARG 145 Cb 0.00 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1uf9 h ARG 145 CO 0.00 -0.72 -0.48 0.43 -1.51 0.00 0.00 179.97 177.69 1uf9 n SER 146 N -5.60 1.77 -3.13 -3.80 7.64 -0.36 -5.03 113.62 105.12 1uf9 n SER 146 Ca -0.14 -1.39 -0.04 0.00 1.01 0.00 0.00 58.87 58.31 1uf9 n SER 146 Cb 0.48 0.54 0.01 0.00 -1.01 0.00 0.00 64.21 64.23 1uf9 n SER 146 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uf9 n GLY 147 N 1.34 -1.22 3.74 0.23 0.00 -1.15 -5.04 105.19 103.08 1uf9 n GLY 147 Ca 0.08 0.50 -0.26 0.00 0.00 0.00 0.00 46.02 46.34 1uf9 n GLY 147 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uf9 s LEU 148 N -4.35 2.99 0.19 0.99 1.43 -1.26 -5.03 118.68 113.64 1uf9 s LEU 148 Ca 0.10 -1.18 -0.24 0.00 -1.03 0.00 0.00 54.13 51.78 1uf9 s LEU 148 Cb -0.01 -1.29 -0.08 0.00 0.03 0.00 0.00 46.19 44.83 1uf9 s LEU 148 CO 0.76 -0.59 0.77 -0.55 0.23 0.00 0.00 176.35 176.96 1uf9 s SER 149 N -3.90 7.32 0.24 2.29 0.15 -1.26 -4.93 113.70 113.60 1uf9 s SER 149 Ca 0.37 1.61 -0.06 0.00 0.70 0.00 0.00 55.95 58.56 1uf9 s SER 149 Cb 0.04 -2.49 0.29 0.00 -1.71 0.00 0.00 66.02 62.15 1uf9 s SER 149 CO 0.20 0.16 1.87 -0.09 1.20 0.00 0.00 173.24 176.58 1uf9 h ARG 150 N 4.07 1.00 0.00 5.44 2.43 -1.99 -1.37 114.38 123.96 1uf9 h ARG 150 Ca -0.47 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.62 1uf9 h ARG 150 Cb 1.20 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1uf9 h ARG 150 CO 0.66 0.66 -0.09 0.93 -1.51 0.00 0.00 179.97 180.61 1uf9 h GLU 151 N 1.02 0.00 0.02 0.20 4.39 -1.99 -1.80 114.58 116.42 1uf9 h GLU 151 Ca 0.35 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.01 1uf9 h GLU 151 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1uf9 h GLU 151 CO -0.14 0.09 -0.19 1.49 -1.16 0.00 0.00 179.01 179.10 1uf9 h GLU 152 N 0.00 0.04 -0.72 2.33 4.22 -1.80 -2.38 114.58 116.26 1uf9 h GLU 152 Ca -0.00 -0.06 0.16 0.00 0.08 0.00 0.00 59.36 59.54 1uf9 h GLU 152 Cb 0.17 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.33 1uf9 h GLU 152 CO 0.01 1.03 0.12 0.28 -2.18 0.00 0.00 179.01 178.27 1uf9 h VAL 153 N -0.92 0.47 -0.15 0.32 2.07 -1.00 0.76 116.25 117.80 1uf9 h VAL 153 Ca -0.04 -0.07 -0.18 0.00 0.82 0.00 0.00 66.70 67.22 1uf9 h VAL 153 Cb 1.10 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1uf9 h VAL 153 CO 0.00 0.04 -0.65 -0.07 0.02 0.00 0.00 177.57 176.91 1uf9 h LEU 154 N 0.21 0.66 -1.59 2.57 3.38 -1.45 -1.50 115.31 117.58 1uf9 h LEU 154 Ca 0.40 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1uf9 h LEU 154 Cb 0.70 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1uf9 h LEU 154 CO -0.55 1.13 0.09 0.00 0.09 0.00 0.00 178.44 179.21 1uf9 h ALA 155 N 0.87 1.68 0.01 1.53 0.00 0.26 0.12 119.26 123.72 1uf9 h ALA 155 Ca -0.01 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 1uf9 h ALA 155 Cb 1.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1uf9 h ALA 155 CO 0.12 0.26 -0.91 0.00 0.00 0.00 0.00 179.25 178.72 1uf9 h ARG 156 N 0.36 0.16 -0.04 0.00 3.08 0.48 -3.26 114.38 115.17 1uf9 h ARG 156 Ca 0.09 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 1uf9 h ARG 156 Cb 0.10 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1uf9 h ARG 156 CO -0.01 0.97 -0.32 1.49 -1.07 0.00 0.00 179.97 181.03 1uf9 h GLU 157 N 0.08 0.07 -0.00 0.04 4.57 0.22 -2.62 114.58 116.95 1uf9 h GLU 157 Ca -0.04 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1uf9 h GLU 157 Cb 1.56 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.15 1uf9 h GLU 157 CO 0.14 0.39 -0.16 2.89 -1.18 0.00 0.00 179.01 181.08 1uf9 n ARG 158 N -4.14 0.29 0.00 1.92 1.85 -0.22 -2.95 116.66 113.40 1uf9 n ARG 158 Ca -0.02 -0.09 0.13 0.00 -1.00 0.00 0.00 57.85 56.87 1uf9 n ARG 158 Cb 0.38 -1.50 0.33 0.00 -1.05 0.00 0.00 32.46 30.61 1uf9 n ARG 158 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1uf9 n ALA 159 N -1.27 3.29 -2.00 2.89 0.00 -0.99 -5.02 120.51 117.41 1uf9 n ALA 159 Ca 0.10 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1uf9 n ALA 159 Cb 0.31 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1uf9 n ALA 159 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1uf9 n GLN 160 N -1.10 0.00 -4.12 0.00 6.02 -1.15 -5.12 117.38 111.90 1uf9 n GLN 160 Ca 0.09 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.73 1uf9 n GLN 160 Cb 0.34 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.52 1uf9 n GLN 160 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1uf9 s PRO 162 N 1.90 3.17 0.27 -1.09 0.04 -1.26 -5.01 135.00 133.01 1uf9 s PRO 162 Ca 0.00 -0.34 -0.03 0.00 0.04 0.00 0.00 61.00 60.67 1uf9 s PRO 162 Cb 0.00 -2.95 0.36 0.00 0.04 0.00 0.00 34.50 31.95 1uf9 s PRO 162 CO 0.00 0.71 1.88 1.49 0.04 0.00 0.00 177.00 181.12 1uf9 h GLU 163 N 4.73 1.05 -0.04 4.56 4.81 -2.00 -2.08 114.58 125.61 1uf9 h GLU 163 Ca -0.52 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 58.59 1uf9 h GLU 163 Cb 1.20 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 1uf9 h GLU 163 CO 0.58 0.79 0.03 0.93 -0.73 0.00 0.00 179.01 180.62 1uf9 h GLU 164 N 1.05 0.00 -0.09 1.92 4.39 -2.02 -1.17 114.58 118.65 1uf9 h GLU 164 Ca 0.26 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.74 1uf9 h GLU 164 Cb 0.07 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1uf9 h GLU 164 CO -0.04 0.00 -0.84 0.93 -1.16 0.00 0.00 179.01 177.91 1uf9 h GLU 165 N 0.00 0.66 -0.61 2.33 4.39 -1.82 -3.13 114.58 116.39 1uf9 h GLU 165 Ca 0.02 -0.58 -0.07 0.00 0.34 0.00 0.00 59.36 59.06 1uf9 h GLU 165 Cb 0.09 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 1uf9 h GLU 165 CO -0.00 1.19 0.09 0.87 -1.16 0.00 0.00 179.01 180.00 1uf9 h LYS 166 N 0.43 0.99 -0.64 2.33 1.57 -1.13 -2.06 116.57 118.07 1uf9 h LYS 166 Ca -0.07 -0.26 0.13 0.00 -1.87 0.00 0.00 60.65 58.59 1uf9 h LYS 166 Cb 1.46 -0.12 -0.10 0.00 0.08 0.00 0.00 32.23 33.55 1uf9 h LYS 166 CO 0.16 0.92 0.09 0.00 -0.57 0.00 0.00 179.45 180.05 1uf9 h ARG 167 N 0.93 0.20 0.00 3.15 3.08 -1.27 0.28 114.38 120.75 1uf9 h ARG 167 Ca 0.19 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1uf9 h ARG 167 Cb 0.42 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1uf9 h ARG 167 CO 0.01 0.13 0.00 1.63 -1.07 0.00 0.00 179.97 180.67 1uf9 n LYS 168 N -5.20 0.00 0.00 0.04 5.02 -0.77 -3.14 118.16 114.10 1uf9 n LYS 168 Ca 0.10 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 1uf9 n LYS 168 Cb 0.37 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 1uf9 n LYS 168 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1uf9 n ARG 169 N -1.35 0.00 -2.51 1.97 1.85 0.76 -5.10 116.66 112.27 1uf9 n ARG 169 Ca 0.00 -0.08 -0.34 0.00 -1.00 0.00 0.00 57.85 56.43 1uf9 n ARG 169 Cb 0.00 -0.45 -0.03 0.00 -1.05 0.00 0.00 32.46 30.94 1uf9 n ARG 169 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1uf9 s ALA 170 N 0.00 2.85 0.15 2.89 0.00 0.06 -4.94 121.76 122.77 1uf9 s ALA 170 Ca 0.00 0.62 -0.07 0.00 0.00 0.00 0.00 51.96 52.51 1uf9 s ALA 170 Cb 0.00 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 1uf9 s ALA 170 CO 0.00 -0.36 1.40 1.15 0.00 0.00 0.00 175.76 177.96 1uf9 h THR 171 N 1.52 1.31 -3.51 0.00 2.02 -1.52 -3.45 112.91 109.28 1uf9 h THR 171 Ca -0.50 -1.94 -0.17 0.00 0.77 0.00 0.00 66.41 64.58 1uf9 h THR 171 Cb 1.22 1.92 -0.23 0.00 -1.74 0.00 0.00 68.15 69.32 1uf9 h THR 171 CO 0.59 0.61 -0.53 0.26 0.37 0.00 0.00 175.52 176.81 1uf9 s TRP 172 N -3.82 -0.02 -0.08 3.16 0.51 -0.74 -4.96 118.94 112.99 1uf9 s TRP 172 Ca -0.08 0.03 0.04 0.00 -2.12 0.00 0.00 56.10 53.96 1uf9 s TRP 172 Cb 0.10 -0.02 0.00 0.00 -0.81 0.00 0.00 33.47 32.74 1uf9 s TRP 172 CO 0.87 -0.19 -0.19 0.08 -0.51 0.00 0.00 176.95 177.01 1uf9 s VAL 173 N -0.82 1.64 -0.20 4.03 1.01 -1.26 0.04 120.40 124.85 1uf9 s VAL 173 Ca -0.09 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 1uf9 s VAL 173 Cb -0.05 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1uf9 s VAL 173 CO 0.01 0.47 0.01 -0.76 0.00 0.00 0.00 175.10 174.82 1uf9 s LEU 174 N 0.37 3.31 0.00 3.92 1.43 0.53 -4.95 118.68 123.29 1uf9 s LEU 174 Ca -0.14 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1uf9 s LEU 174 Cb -0.16 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.22 1uf9 s LEU 174 CO 0.06 0.07 0.00 -0.62 0.23 0.00 0.00 176.35 176.09 1uf9 n GLU 175 N 4.20 0.63 -3.63 1.70 -0.58 -1.26 -0.89 120.64 120.80 1uf9 n GLU 175 Ca -0.17 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.44 1uf9 n GLU 175 Cb 0.52 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.32 1uf9 n GLU 175 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1uf9 s ASN 176 N -1.00 -0.75 0.00 1.62 0.01 -1.24 -4.70 114.94 108.89 1uf9 s ASN 176 Ca 0.00 1.42 0.00 0.00 -0.71 0.00 0.00 52.86 53.57 1uf9 s ASN 176 Cb 0.00 1.43 0.00 0.00 0.41 0.00 0.00 41.25 43.09 1uf9 s ASN 176 CO 0.00 -0.24 0.00 0.35 -1.51 0.00 0.00 177.10 175.70 1uf9 n THR 177 N 2.77 0.00 -5.25 1.60 -2.24 -1.26 -4.88 114.28 105.02 1uf9 n THR 177 Ca -0.14 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.32 1uf9 n THR 177 Cb 0.55 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.62 1uf9 n THR 177 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1uf9 s GLY 178 N -0.39 1.31 0.50 3.38 0.00 -1.26 -5.03 107.32 105.82 1uf9 s GLY 178 Ca 0.00 -1.07 0.32 0.00 0.00 0.00 0.00 44.72 43.97 1uf9 s GLY 178 CO 0.00 -0.76 1.78 0.23 0.00 0.00 0.00 173.10 174.36 1uf9 h SER 179 N 5.81 0.14 -0.36 1.64 0.87 -2.00 -0.70 113.55 118.94 1uf9 h SER 179 Ca -0.37 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1uf9 h SER 179 Cb 1.15 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.11 1uf9 h SER 179 CO 0.47 0.01 0.22 -0.07 -0.53 0.00 0.00 176.83 176.93 1uf9 h LEU 180 N 0.11 0.44 -0.61 2.23 4.07 -2.00 -0.83 115.31 118.73 1uf9 h LEU 180 Ca 0.59 -0.06 -0.12 0.00 0.08 0.00 0.00 57.88 58.38 1uf9 h LEU 180 Cb 2.10 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 43.71 1uf9 h LEU 180 CO -0.11 0.36 -0.15 -0.33 -1.08 0.00 0.00 178.44 177.13 1uf9 h GLU 181 N 0.47 0.94 -0.00 1.13 3.07 -1.56 -2.57 114.58 116.06 1uf9 h GLU 181 Ca 0.13 -0.36 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1uf9 h GLU 181 Cb 0.01 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1uf9 h GLU 181 CO -0.02 1.02 -0.01 0.22 -1.40 0.00 0.00 179.01 178.82 1uf9 h ASP 182 N 0.83 -0.03 -0.42 1.42 -0.00 -1.23 0.17 116.42 117.17 1uf9 h ASP 182 Ca 0.12 0.00 0.08 0.00 -0.00 0.00 0.00 57.03 57.24 1uf9 h ASP 182 Cb 0.70 0.01 -0.08 0.00 -0.00 0.00 0.00 39.33 39.96 1uf9 h ASP 182 CO 0.05 -0.01 -0.08 0.25 -0.00 0.00 0.00 179.24 179.44 1uf9 h LEU 183 N -0.02 -0.35 -0.21 2.28 6.46 -1.05 -1.08 115.31 121.34 1uf9 h LEU 183 Ca 0.00 0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1uf9 h LEU 183 Cb 0.02 0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 1uf9 h LEU 183 CO -0.01 -0.12 0.13 -0.33 -0.62 0.00 0.00 178.44 177.49 1uf9 h GLU 184 N 0.02 0.29 0.22 1.25 5.08 -1.04 -1.76 114.58 118.64 1uf9 h GLU 184 Ca 0.20 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1uf9 h GLU 184 Cb 0.31 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1uf9 h GLU 184 CO -0.41 0.22 -0.15 -0.09 -1.00 0.00 0.00 179.01 177.58 1uf9 h ARG 185 N 0.26 -0.35 -0.10 2.33 2.43 -0.47 0.56 114.38 119.04 1uf9 h ARG 185 Ca 0.08 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1uf9 h ARG 185 Cb 0.01 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.59 1uf9 h ARG 185 CO -0.01 -0.23 -0.20 0.00 -1.51 0.00 0.00 179.97 178.01 1uf9 h ALA 186 N 0.40 -0.18 -0.81 2.80 0.00 -1.19 0.62 119.26 120.90 1uf9 h ALA 186 Ca -0.02 0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.08 1uf9 h ALA 186 Cb 0.31 0.39 -0.15 0.00 0.00 0.00 0.00 17.79 18.34 1uf9 h ALA 186 CO 0.01 -0.67 -0.24 1.25 0.00 0.00 0.00 179.25 179.60 1uf9 h LEU 187 N -0.28 -0.88 0.03 0.00 6.46 -0.95 1.05 115.31 120.74 1uf9 h LEU 187 Ca 0.09 0.25 0.03 0.00 -0.12 0.00 0.00 57.88 58.13 1uf9 h LEU 187 Cb 0.40 0.54 -0.04 0.00 -0.73 0.00 0.00 40.66 40.84 1uf9 h LEU 187 CO -0.26 -0.28 -0.24 0.11 -0.62 0.00 0.00 178.44 177.16 1uf9 h LYS 188 N -0.02 -0.37 -0.62 1.25 1.79 1.00 -0.19 116.57 119.40 1uf9 h LYS 188 Ca 0.37 0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.91 1uf9 h LYS 188 Cb 0.60 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.28 1uf9 h LYS 188 CO -0.84 -0.25 0.35 0.00 -1.08 0.00 0.00 179.45 177.63 1uf9 h ALA 189 N 0.44 0.81 -0.19 3.86 0.00 0.23 0.81 119.26 125.21 1uf9 h ALA 189 Ca 0.05 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1uf9 h ALA 189 Cb 0.46 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1uf9 h ALA 189 CO -0.19 0.04 0.13 0.28 0.00 0.00 0.00 179.25 179.51 1uf9 h VAL 190 N 0.67 0.98 -0.20 0.00 2.07 0.14 -2.26 116.25 117.64 1uf9 h VAL 190 Ca 0.27 -0.05 -0.17 0.00 0.82 0.00 0.00 66.70 67.57 1uf9 h VAL 190 Cb 0.12 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1uf9 h VAL 190 CO -0.15 0.03 -0.58 0.25 0.02 0.00 0.00 177.57 177.14 1uf9 h LEU 191 N 0.14 0.71 -1.30 2.57 5.85 0.97 -2.46 115.31 121.79 1uf9 h LEU 191 Ca 0.08 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1uf9 h LEU 191 Cb 0.16 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1uf9 h LEU 191 CO -0.01 1.13 0.07 0.00 -0.34 0.00 0.00 178.44 179.29 1uf9 n ALA 192 N -2.54 0.94 -2.51 1.25 0.00 -0.85 -1.52 120.51 115.28 1uf9 n ALA 192 Ca -0.04 0.18 -0.34 0.00 0.00 0.00 0.00 53.44 53.24 1uf9 n ALA 192 Cb 0.63 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1uf9 n ALA 192 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1uf9 n GLU 193 N -2.21 3.78 0.00 0.00 1.02 -0.93 -5.03 120.64 117.27 1uf9 n GLU 193 Ca -0.01 -4.41 0.00 0.00 -0.02 0.00 0.00 57.16 52.72 1uf9 n GLU 193 Cb 0.11 -2.31 0.00 0.00 -0.02 0.00 0.00 31.44 29.21 1uf9 n GLU 193 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1uf9 n LEU 194 N -0.32 0.00 0.00 -4.62 4.32 -0.58 -4.72 117.00 111.08 1uf9 n LEU 194 Ca 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.42 1uf9 n LEU 194 Cb 0.38 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 1uf9 n LEU 194 CO 0.43 0.00 0.00 1.07 -1.22 0.00 0.00 177.39 177.67 1uf9 n THR 195 N 0.00 0.00 -1.48 -5.08 5.66 -1.26 -5.12 114.28 106.99 1uf9 n THR 195 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1uf9 n THR 195 Cb 0.00 1.23 0.00 0.00 -1.55 0.00 0.00 70.33 70.01 1uf9 n THR 195 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63