#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifs h HIS 4 N 0.00 -0.92 -3.25 4.78 6.17 -1.98 -3.38 115.15 116.57 3ifs h HIS 4 Ca 0.00 -0.01 -0.57 0.00 0.71 0.00 0.00 60.37 60.50 3ifs h HIS 4 Cb 0.00 0.33 -0.05 0.00 2.52 0.00 0.00 27.41 30.21 3ifs h HIS 4 CO 0.00 -0.52 -0.03 0.08 0.71 0.00 0.00 177.93 178.17 3ifs s VAL 5 N -5.03 4.80 0.19 5.26 1.01 -1.26 -4.55 120.40 120.83 3ifs s VAL 5 Ca -0.13 1.21 0.09 0.00 0.00 0.00 0.00 61.98 63.15 3ifs s VAL 5 Cb 0.02 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3ifs s VAL 5 CO 0.42 0.51 -0.18 0.42 0.00 0.00 0.00 175.10 176.27 3ifs s THR 6 N -0.80 1.90 -0.13 3.92 -4.23 -0.93 -4.97 115.64 110.41 3ifs s THR 6 Ca 0.29 -2.07 0.02 0.00 -1.18 0.00 0.00 61.69 58.75 3ifs s THR 6 Cb -0.19 -1.97 -0.00 0.00 1.34 0.00 0.00 72.50 71.68 3ifs s THR 6 CO 0.18 -0.40 -0.19 0.12 -0.54 0.00 0.00 174.62 173.79 3ifs s PHE 7 N -2.36 2.69 -0.18 3.99 5.36 -1.26 -0.69 117.98 125.52 3ifs s PHE 7 Ca 0.20 -1.04 0.00 0.00 -0.96 0.00 0.00 56.93 55.13 3ifs s PHE 7 Cb -0.04 -1.81 0.04 0.00 -0.34 0.00 0.00 43.02 40.87 3ifs s PHE 7 CO 0.08 -0.44 -0.08 0.34 -1.46 0.00 0.00 175.22 173.66 3ifs s ASP 8 N 0.58 3.13 -0.01 6.13 2.15 -0.26 -4.95 116.67 123.43 3ifs s ASP 8 Ca -0.11 -0.78 0.09 0.00 0.43 0.00 0.00 52.55 52.18 3ifs s ASP 8 Cb -0.16 -1.07 0.26 0.00 -0.30 0.00 0.00 42.92 41.64 3ifs s ASP 8 CO 0.04 -0.17 1.21 0.00 -0.17 0.00 0.00 175.17 176.08 3ifs n TYR 9 N 4.78 0.39 0.26 -5.34 0.18 -1.26 -1.35 117.16 114.82 3ifs n TYR 9 Ca -0.13 -0.51 0.10 0.00 1.88 0.00 0.00 57.90 59.23 3ifs n TYR 9 Cb 0.47 -0.04 0.68 0.00 -0.38 0.00 0.00 39.34 40.07 3ifs n TYR 9 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 3ifs h SER 10 N 1.65 0.00 0.43 9.48 4.64 -1.92 -1.19 113.55 126.64 3ifs h SER 10 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ifs h SER 10 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3ifs h SER 10 CO 0.01 0.11 -0.01 0.29 -0.87 0.00 0.00 176.83 176.36 3ifs n LYS 11 N -3.99 0.57 -0.18 4.77 4.76 -1.26 -3.06 118.16 119.77 3ifs n LYS 11 Ca -0.02 -0.03 0.08 0.00 -2.87 0.00 0.00 58.31 55.47 3ifs n LYS 11 Cb 0.20 -1.50 0.18 0.00 -1.84 0.00 0.00 35.03 32.07 3ifs n LYS 11 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ifs n ALA 12 N -1.19 2.31 0.32 7.82 0.00 -0.45 -4.66 120.51 124.67 3ifs n ALA 12 Ca 0.16 -1.05 0.21 0.00 0.00 0.00 0.00 53.44 52.76 3ifs n ALA 12 Cb 0.22 -0.60 1.12 0.00 0.00 0.00 0.00 19.45 20.19 3ifs n ALA 12 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ifs h LEU 13 N 2.96 0.00 -0.55 0.00 3.38 -1.56 0.80 115.31 120.33 3ifs h LEU 13 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ifs h LEU 13 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3ifs h LEU 13 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.30 3ifs h SER 14 N 0.00 0.00 0.00 -0.43 4.64 -1.87 -3.27 113.55 112.62 3ifs h SER 14 Ca -0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 3ifs h SER 14 Cb 0.04 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.08 3ifs h SER 14 CO 0.00 0.00 -2.04 0.49 -0.87 0.00 0.00 176.83 174.41 3ifs n PHE 15 N -2.38 0.00 -3.85 4.77 3.01 0.15 -4.96 117.46 114.20 3ifs n PHE 15 Ca 0.03 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.25 3ifs n PHE 15 Cb 0.31 -0.73 -0.17 0.00 -0.01 0.00 0.00 39.48 38.87 3ifs n PHE 15 CO 0.00 0.00 0.00 -1.50 1.01 0.00 0.00 176.76 176.27 3ifs s ILE 16 N -2.37 0.59 0.47 4.37 2.07 -0.49 -5.07 121.20 120.77 3ifs s ILE 16 Ca -0.12 -0.02 -0.18 0.00 -1.41 0.00 0.00 60.65 58.92 3ifs s ILE 16 Cb 0.05 -0.69 -0.09 0.00 0.13 0.00 0.00 42.46 41.86 3ifs s ILE 16 CO 0.57 0.29 0.95 -0.83 -1.91 0.00 0.00 174.94 174.01 3ifs s GLY 17 N 1.80 2.20 0.39 1.50 0.00 -1.26 -4.17 107.32 107.77 3ifs s GLY 17 Ca 0.04 0.24 0.12 0.00 0.00 0.00 0.00 44.72 45.11 3ifs s GLY 17 CO -0.06 0.51 1.90 0.83 0.00 0.00 0.00 173.10 176.28 3ifs h GLU 18 N 1.38 0.55 -0.05 2.90 4.39 -2.00 -0.75 114.58 121.01 3ifs h GLU 18 Ca -0.48 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.20 3ifs h GLU 18 Cb 1.18 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 3ifs h GLU 18 CO 0.62 0.36 0.04 1.12 -1.16 0.00 0.00 179.01 179.99 3ifs h HIS 19 N 0.57 0.00 -0.22 4.33 2.07 -1.99 -1.34 115.15 118.57 3ifs h HIS 19 Ca 0.40 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.87 3ifs h HIS 19 Cb 0.76 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.72 3ifs h HIS 19 CO -0.00 0.00 -0.09 0.93 -3.07 0.00 0.00 177.93 175.70 3ifs h GLU 20 N 0.00 0.35 0.01 5.12 5.08 -1.51 -0.22 114.58 123.40 3ifs h GLU 20 Ca 0.02 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3ifs h GLU 20 Cb 0.10 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3ifs h GLU 20 CO -0.00 0.45 -0.00 0.82 -1.00 0.00 0.00 179.01 179.28 3ifs h ILE 21 N 0.33 1.63 -0.91 3.13 2.04 -1.36 -3.33 117.51 119.04 3ifs h ILE 21 Ca 0.07 -2.01 0.14 0.00 1.00 0.00 0.00 64.86 64.07 3ifs h ILE 21 Cb 0.37 2.97 -0.09 0.00 -0.74 0.00 0.00 36.82 39.33 3ifs h ILE 21 CO 0.02 0.51 0.52 0.74 0.00 0.00 0.00 178.15 179.94 3ifs h THR 22 N -0.88 0.79 -0.01 -0.27 2.02 -1.23 -1.21 112.91 112.12 3ifs h THR 22 Ca -0.00 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.92 3ifs h THR 22 Cb 0.84 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3ifs h THR 22 CO 0.00 0.14 0.03 1.88 0.37 0.00 0.00 175.52 177.94 3ifs h TYR 23 N 0.76 0.00 -0.60 3.16 0.05 -1.14 -2.11 116.97 117.09 3ifs h TYR 23 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.26 3ifs h TYR 23 Cb 0.62 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.36 3ifs h TYR 23 CO -0.05 0.00 0.00 1.28 -1.05 0.00 0.00 178.16 178.34 3ifs n LEU 24 N -3.23 3.33 -0.27 3.88 4.32 -0.46 -4.56 117.00 120.01 3ifs n LEU 24 Ca -0.03 -1.64 0.02 0.00 -0.02 0.00 0.00 56.01 54.34 3ifs n LEU 24 Cb 0.10 -0.40 0.15 0.00 -1.62 0.00 0.00 43.42 41.65 3ifs n LEU 24 CO 0.21 0.82 1.12 -0.09 -1.22 0.00 0.00 177.39 178.23 3ifs h ARG 25 N 3.71 0.72 -0.37 3.23 2.43 -1.48 -0.11 114.38 122.52 3ifs h ARG 25 Ca 0.00 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 3ifs h ARG 25 Cb 0.84 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 3ifs h ARG 25 CO 0.00 0.48 -0.18 -0.44 -1.51 0.00 0.00 179.97 178.31 3ifs h ASP 26 N 0.74 0.80 -0.68 -3.80 3.32 -1.84 -1.70 116.42 113.26 3ifs h ASP 26 Ca 0.37 -0.41 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 3ifs h ASP 26 Cb 0.31 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3ifs h ASP 26 CO -0.23 1.03 0.20 0.00 -1.72 0.00 0.00 179.24 178.51 3ifs h ALA 27 N 0.79 1.04 -0.45 3.45 0.00 -1.77 -2.21 119.26 120.12 3ifs h ALA 27 Ca 0.08 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3ifs h ALA 27 Cb 0.73 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3ifs h ALA 27 CO 0.06 0.64 0.10 0.28 0.00 0.00 0.00 179.25 180.33 3ifs h VAL 28 N 1.04 1.24 -0.14 0.00 2.07 -0.89 -1.65 116.25 117.92 3ifs h VAL 28 Ca 0.22 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 66.94 3ifs h VAL 28 Cb 0.32 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3ifs h VAL 28 CO -0.00 0.29 -0.05 0.50 0.02 0.00 0.00 177.57 178.33 3ifs h LYS 29 N 0.59 -0.02 -0.12 1.57 1.63 -1.09 0.12 116.57 119.26 3ifs h LYS 29 Ca 0.14 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.84 3ifs h LYS 29 Cb 0.34 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 3ifs h LYS 29 CO 0.00 -0.02 -0.38 -0.24 -3.45 0.00 0.00 179.45 175.37 3ifs h VAL 30 N -0.03 1.30 -0.30 2.00 3.04 -1.33 -2.20 116.25 118.72 3ifs h VAL 30 Ca 0.07 -1.44 -0.16 0.00 -1.01 0.00 0.00 66.70 64.16 3ifs h VAL 30 Cb 0.13 1.63 -0.01 0.00 -2.01 0.00 0.00 31.29 31.03 3ifs h VAL 30 CO -0.16 0.43 -0.44 0.74 -1.01 0.00 0.00 177.57 177.14 3ifs h THR 31 N 0.21 1.29 -0.36 3.17 2.02 -0.91 -2.02 112.91 116.31 3ifs h THR 31 Ca 0.02 -1.63 0.04 0.00 0.77 0.00 0.00 66.41 65.62 3ifs h THR 31 Cb 0.77 1.52 -0.04 0.00 -1.74 0.00 0.00 68.15 68.66 3ifs h THR 31 CO 0.06 0.53 0.11 -0.74 0.37 0.00 0.00 175.52 175.85 3ifs h HIS 32 N 0.62 0.19 -0.92 3.16 6.17 -0.50 -0.64 115.15 123.23 3ifs h HIS 32 Ca 0.04 0.02 0.04 0.00 0.71 0.00 0.00 60.37 61.18 3ifs h HIS 32 Cb 1.00 -0.03 -0.06 0.00 2.52 0.00 0.00 27.41 30.84 3ifs h HIS 32 CO 0.05 0.07 0.59 0.45 0.71 0.00 0.00 177.93 179.81 3ifs h HIS 33 N 0.25 1.11 -0.63 5.26 3.86 -1.22 -0.96 115.15 122.82 3ifs h HIS 33 Ca 0.16 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 3ifs h HIS 33 Cb 0.16 -0.37 -0.03 0.00 1.06 0.00 0.00 27.41 28.23 3ifs h HIS 33 CO -0.16 0.62 0.29 0.00 0.86 0.00 0.00 177.93 179.55 3ifs h ALA 34 N 1.39 1.33 0.10 2.45 0.00 -0.53 0.24 119.26 124.24 3ifs h ALA 34 Ca 0.37 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3ifs h ALA 34 Cb 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3ifs h ALA 34 CO -0.13 0.52 -0.05 0.82 0.00 0.00 0.00 179.25 180.41 3ifs h ILE 35 N 0.90 1.11 0.00 0.00 2.04 -0.55 -1.69 117.51 119.31 3ifs h ILE 35 Ca 0.22 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 3ifs h ILE 35 Cb 0.11 1.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.99 3ifs h ILE 35 CO -0.03 0.26 -0.10 0.45 0.00 0.00 0.00 178.15 178.74 3ifs h HIS 36 N -0.71 0.00 -0.01 1.37 3.86 -1.10 -2.98 115.15 115.58 3ifs h HIS 36 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3ifs h HIS 36 Cb 0.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.01 3ifs h HIS 36 CO 0.10 0.10 -0.59 0.39 0.86 0.00 0.00 177.93 178.79 3ifs n GLU 37 N -3.19 0.94 -3.64 2.45 1.02 0.82 -5.00 120.64 114.04 3ifs n GLU 37 Ca 0.01 -0.78 -0.21 0.00 -0.02 0.00 0.00 57.16 56.17 3ifs n GLU 37 Cb 0.41 -1.48 0.04 0.00 -0.02 0.00 0.00 31.44 30.39 3ifs n GLU 37 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3ifs n LYS 38 N -0.35 -5.13 -0.00 3.49 5.02 -0.68 -4.93 118.16 115.57 3ifs n LYS 38 Ca 0.08 0.66 0.06 0.00 -2.02 0.00 0.00 58.31 57.10 3ifs n LYS 38 Cb 0.44 -5.30 -0.08 0.00 -0.02 0.00 0.00 35.03 30.07 3ifs n LYS 38 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3ifs n THR 39 N -4.23 0.00 -2.62 -0.18 -2.24 -0.93 -4.84 114.28 99.25 3ifs n THR 39 Ca -0.29 -0.20 -0.13 0.00 -2.27 0.00 0.00 64.05 61.15 3ifs n THR 39 Cb 0.68 0.87 0.06 0.00 -2.10 0.00 0.00 70.33 69.84 3ifs n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ifs n GLY 40 N 1.38 1.04 3.71 3.38 0.00 -1.25 -4.98 105.19 108.47 3ifs n GLY 40 Ca 0.02 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 3ifs n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ifs n ALA 41 N -2.85 1.48 -1.29 4.61 0.00 -1.26 -2.36 120.51 118.84 3ifs n ALA 41 Ca -0.09 0.32 -0.10 0.00 0.00 0.00 0.00 53.44 53.57 3ifs n ALA 41 Cb 0.35 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.47 3ifs n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ifs n GLY 42 N 0.73 1.12 0.00 0.00 0.00 -1.26 -4.65 105.19 101.13 3ifs n GLY 42 Ca 0.05 -0.47 0.03 0.00 0.00 0.00 0.00 46.02 45.63 3ifs n GLY 42 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ifs n ASN 43 N 0.14 0.00 -0.07 1.61 0.23 -0.99 -1.08 115.26 115.10 3ifs n ASN 43 Ca -0.10 0.48 0.15 0.00 -0.53 0.00 0.00 54.58 54.59 3ifs n ASN 43 Cb 0.35 -0.49 0.77 0.00 -2.08 0.00 0.00 39.78 38.34 3ifs n ASN 43 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3ifs n ASP 44 N -1.49 0.24 -2.29 0.53 8.00 -1.26 -4.05 116.55 116.23 3ifs n ASP 44 Ca 0.02 -0.68 -0.18 0.00 0.71 0.00 0.00 54.79 54.66 3ifs n ASP 44 Cb 0.07 -0.10 0.03 0.00 -0.02 0.00 0.00 41.12 41.10 3ifs n ASP 44 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3ifs n PHE 45 N -0.98 2.38 -1.07 1.24 3.72 -0.24 -4.37 117.46 118.13 3ifs n PHE 45 Ca 0.18 -2.30 0.05 0.00 -0.05 0.00 0.00 57.45 55.33 3ifs n PHE 45 Cb 0.21 -0.29 0.27 0.00 -0.94 0.00 0.00 39.48 38.72 3ifs n PHE 45 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3ifs n LEU 46 N -0.64 4.31 0.31 4.37 4.77 -1.15 -4.60 117.00 124.36 3ifs n LEU 46 Ca 0.33 -3.16 0.20 0.00 -0.03 0.00 0.00 56.01 53.35 3ifs n LEU 46 Cb 0.90 -0.59 0.96 0.00 -2.33 0.00 0.00 43.42 42.35 3ifs n LEU 46 CO 0.31 0.78 1.09 1.23 -1.33 0.00 0.00 177.39 179.46 3ifs h GLY 47 N 1.91 0.00 2.00 -0.72 0.00 -1.16 -2.51 103.07 102.59 3ifs h GLY 47 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 3ifs h GLY 47 CO 0.33 0.00 -0.08 0.11 0.00 0.00 0.00 176.54 176.90 3ifs h TRP 48 N 0.00 0.00 -0.49 5.60 5.08 -1.83 -3.04 115.95 121.28 3ifs h TRP 48 Ca -0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 3ifs h TRP 48 Cb 0.24 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.37 3ifs h TRP 48 CO 0.00 0.08 0.27 0.28 -1.28 0.00 0.00 178.44 177.80 3ifs h VAL 49 N 0.00 1.16 -0.13 0.12 2.07 -1.82 -3.13 116.25 114.52 3ifs h VAL 49 Ca -0.00 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3ifs h VAL 49 Cb 0.83 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3ifs h VAL 49 CO 0.01 0.17 0.00 0.47 0.02 0.00 0.00 177.57 178.24 3ifs n ASP 50 N -4.68 2.60 -0.30 0.57 8.00 -1.25 -4.64 116.55 116.85 3ifs n ASP 50 Ca 0.02 -1.76 0.10 0.00 0.71 0.00 0.00 54.79 53.86 3ifs n ASP 50 Cb 0.07 -0.08 0.26 0.00 -0.02 0.00 0.00 41.12 41.36 3ifs n ASP 50 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3ifs h LEU 51 N 3.19 0.39 -2.56 0.64 5.85 -1.47 -0.41 115.31 120.94 3ifs h LEU 51 Ca 0.00 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.86 3ifs h LEU 51 Cb 0.72 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 3ifs h LEU 51 CO 0.00 0.09 0.10 -0.65 -0.34 0.00 0.00 178.44 177.65 3ifs h PRO 52 N 0.49 0.00 0.00 5.25 0.11 -1.82 -0.95 132.00 135.08 3ifs h PRO 52 Ca 0.50 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.36 3ifs h PRO 52 Cb 0.85 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.91 3ifs h PRO 52 CO -0.45 0.00 -1.98 1.28 -0.21 0.00 0.00 178.00 176.64 3ifs n LEU 53 N -3.33 0.00 -1.10 2.35 4.77 -0.31 -4.68 117.00 114.70 3ifs n LEU 53 Ca -0.02 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.07 3ifs n LEU 53 Cb 0.18 0.34 0.20 0.00 -2.33 0.00 0.00 43.42 41.82 3ifs n LEU 53 CO 0.22 0.34 0.69 0.00 -1.33 0.00 0.00 177.39 177.30 3ifs n GLN 54 N -2.51 2.44 -1.36 3.23 6.02 -0.37 -5.01 117.38 119.82 3ifs n GLN 54 Ca -0.23 -2.24 -0.36 0.00 -0.01 0.00 0.00 57.00 54.17 3ifs n GLN 54 Cb 0.94 -1.49 0.09 0.00 1.02 0.00 0.00 30.24 30.80 3ifs n GLN 54 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 3ifs n TYR 55 N 1.40 0.63 -2.04 1.08 4.11 -0.40 -4.85 117.16 117.10 3ifs n TYR 55 Ca 0.18 0.39 -0.43 0.00 -0.00 0.00 0.00 57.90 58.05 3ifs n TYR 55 Cb 0.58 -2.08 -0.03 0.00 -0.00 0.00 0.00 39.34 37.82 3ifs n TYR 55 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 3ifs s ASP 56 N -1.63 5.97 0.26 9.48 -1.08 -1.26 -4.89 116.67 123.52 3ifs s ASP 56 Ca 0.73 1.29 -0.01 0.00 -0.52 0.00 0.00 52.55 54.04 3ifs s ASP 56 Cb -0.35 -2.53 0.33 0.00 -1.46 0.00 0.00 42.92 38.91 3ifs s ASP 56 CO 0.50 -1.65 1.72 0.11 0.52 0.00 0.00 175.17 176.38 3ifs h LYS 57 N 12.51 0.69 -0.40 4.34 1.57 -1.98 -1.74 116.57 131.56 3ifs h LYS 57 Ca -0.33 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.14 3ifs h LYS 57 Cb 1.16 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 3ifs h LYS 57 CO 1.03 0.79 -0.07 0.93 -0.57 0.00 0.00 179.45 181.56 3ifs h GLU 58 N 0.63 0.75 -0.55 3.15 3.07 -2.00 -2.26 114.58 117.37 3ifs h GLU 58 Ca 0.11 -0.28 -0.04 0.00 -0.50 0.00 0.00 59.36 58.65 3ifs h GLU 58 Cb 0.58 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 3ifs h GLU 58 CO 0.04 0.88 0.20 1.49 -1.40 0.00 0.00 179.01 180.21 3ifs h GLU 59 N 0.57 0.84 -0.95 2.33 4.81 -1.96 -2.47 114.58 117.75 3ifs h GLU 59 Ca 0.10 -0.17 0.09 0.00 -0.13 0.00 0.00 59.36 59.25 3ifs h GLU 59 Cb 0.58 -0.13 -0.07 0.00 0.63 0.00 0.00 28.75 29.76 3ifs h GLU 59 CO 0.03 0.75 0.60 0.35 -0.73 0.00 0.00 179.01 180.01 3ifs h PHE 60 N 0.76 1.10 -0.34 0.92 3.04 -1.14 -0.04 116.94 121.23 3ifs h PHE 60 Ca 0.18 0.03 -0.12 0.00 3.98 0.00 0.00 57.97 62.04 3ifs h PHE 60 Cb 0.24 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 38.38 3ifs h PHE 60 CO 0.01 0.51 -0.29 0.00 -2.02 0.00 0.00 178.31 176.53 3ifs h ALA 61 N 1.47 0.86 0.00 2.41 0.00 -1.14 -2.71 119.26 120.15 3ifs h ALA 61 Ca 0.44 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3ifs h ALA 61 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3ifs h ALA 61 CO -0.21 0.63 -0.47 -0.09 0.00 0.00 0.00 179.25 179.11 3ifs h ARG 62 N 0.61 0.00 -0.38 0.00 2.43 -0.79 -1.25 114.38 115.01 3ifs h ARG 62 Ca 0.07 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3ifs h ARG 62 Cb 0.80 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 3ifs h ARG 62 CO 0.07 0.47 0.15 0.82 -1.51 0.00 0.00 179.97 179.97 3ifs h ILE 63 N 0.00 1.19 -0.70 1.20 2.04 -0.76 0.23 117.51 120.72 3ifs h ILE 63 Ca -0.00 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 3ifs h ILE 63 Cb 0.87 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 3ifs h ILE 63 CO 0.06 0.22 0.40 1.56 0.00 0.00 0.00 178.15 180.38 3ifs h GLN 64 N 0.47 0.96 -0.39 2.37 4.20 -1.17 0.13 115.11 121.68 3ifs h GLN 64 Ca 0.13 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 3ifs h GLN 64 Cb 0.19 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3ifs h GLN 64 CO -0.01 0.71 0.06 -0.22 -0.67 0.00 0.00 178.83 178.70 3ifs h LYS 65 N 0.95 0.64 -0.58 1.46 3.64 -0.84 -1.88 116.57 119.97 3ifs h LYS 65 Ca 0.25 -0.17 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 3ifs h LYS 65 Cb 0.01 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3ifs h LYS 65 CO -0.04 0.70 0.05 0.00 -2.27 0.00 0.00 179.45 177.89 3ifs h ALA 67 N 0.99 0.89 -0.69 0.00 0.00 -0.50 -0.94 119.26 119.01 3ifs h ALA 67 Ca 0.17 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3ifs h ALA 67 Cb 0.48 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3ifs h ALA 67 CO 0.02 0.12 0.16 0.93 0.00 0.00 0.00 179.25 180.48 3ifs h GLU 68 N 0.75 1.11 0.02 0.00 4.39 -1.10 -0.90 114.58 118.86 3ifs h GLU 68 Ca 0.29 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.73 3ifs h GLU 68 Cb 0.11 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 3ifs h GLU 68 CO -0.14 0.98 -0.09 -0.22 -1.16 0.00 0.00 179.01 178.38 3ifs h LYS 69 N 1.04 -0.16 -0.82 2.33 3.64 -0.46 -2.26 116.57 119.88 3ifs h LYS 69 Ca 0.22 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3ifs h LYS 69 Cb 0.38 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 3ifs h LYS 69 CO 0.00 -0.11 0.49 0.82 -2.27 0.00 0.00 179.45 178.38 3ifs h ILE 70 N -0.17 1.23 -0.55 2.00 2.04 -0.98 -1.26 117.51 119.83 3ifs h ILE 70 Ca 0.03 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.37 3ifs h ILE 70 Cb 0.20 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 3ifs h ILE 70 CO -0.08 0.25 0.35 0.11 0.00 0.00 0.00 178.15 178.78 3ifs h LYS 71 N 1.13 0.72 0.00 2.37 1.57 -0.99 -0.79 116.57 120.59 3ifs h LYS 71 Ca 0.29 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 3ifs h LYS 71 Cb -0.03 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 3ifs h LYS 71 CO -0.05 0.49 -0.42 -0.91 -0.57 0.00 0.00 179.45 177.99 3ifs h ASN 72 N 0.74 0.00 0.00 0.86 -0.26 -0.77 -3.39 115.58 112.77 3ifs h ASN 72 Ca 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 3ifs h ASN 72 Cb -0.07 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.19 3ifs h ASN 72 CO -0.04 0.06 0.00 -0.90 -1.06 0.00 0.00 177.43 175.49 3ifs n ASP 73 N -2.96 1.54 -3.93 5.81 5.68 -0.55 -5.04 116.55 117.10 3ifs n ASP 73 Ca 0.02 -1.63 -0.16 0.00 -0.50 0.00 0.00 54.79 52.52 3ifs n ASP 73 Cb 0.56 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.40 3ifs n ASP 73 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3ifs s SER 74 N -0.63 0.54 0.21 -1.12 0.01 -0.33 -4.64 113.70 107.75 3ifs s SER 74 Ca 0.00 -0.08 0.14 0.00 1.31 0.00 0.00 55.95 57.32 3ifs s SER 74 Cb 0.00 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.11 3ifs s SER 74 CO 0.00 0.03 1.30 0.44 0.41 0.00 0.00 173.24 175.42 3ifs h ASP 75 N 6.26 0.00 -3.79 2.44 3.32 -0.50 -3.42 116.42 120.74 3ifs h ASP 75 Ca -0.30 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.54 3ifs h ASP 75 Cb 1.18 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.46 3ifs h ASP 75 CO 0.50 0.59 -0.62 -0.63 -1.72 0.00 0.00 179.24 177.36 3ifs s ILE 76 N -2.91 0.00 -0.18 0.35 1.01 -0.88 -1.56 121.20 117.03 3ifs s ILE 76 Ca 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.62 3ifs s ILE 76 Cb 0.08 -0.13 -0.02 0.00 0.01 0.00 0.00 42.46 42.40 3ifs s ILE 76 CO 0.77 -0.01 -0.03 -0.22 0.00 0.00 0.00 174.94 175.45 3ifs s LEU 77 N 0.02 3.17 -0.30 2.97 2.96 -0.21 -1.83 118.68 125.46 3ifs s LEU 77 Ca -0.00 -0.21 -0.09 0.00 -0.22 0.00 0.00 54.13 53.61 3ifs s LEU 77 Cb -0.01 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.88 3ifs s LEU 77 CO 0.00 0.10 0.14 -0.22 -1.32 0.00 0.00 176.35 175.05 3ifs s LEU 78 N 0.80 4.00 -0.28 -0.68 0.20 0.37 -1.35 118.68 121.74 3ifs s LEU 78 Ca -0.01 -0.44 -0.13 0.00 0.69 0.00 0.00 54.13 54.24 3ifs s LEU 78 Cb -0.14 -2.00 -0.04 0.00 -0.43 0.00 0.00 46.19 43.58 3ifs s LEU 78 CO 0.02 -0.16 0.30 -0.69 -0.29 0.00 0.00 176.35 175.52 3ifs s VAL 79 N 1.62 5.23 -0.35 1.68 1.01 0.12 -0.75 120.40 128.97 3ifs s VAL 79 Ca 0.05 0.36 -0.08 0.00 0.00 0.00 0.00 61.98 62.31 3ifs s VAL 79 Cb -0.17 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.60 3ifs s VAL 79 CO 0.06 0.18 0.15 -0.69 0.00 0.00 0.00 175.10 174.79 3ifs s VAL 80 N 1.93 4.17 0.00 2.92 1.01 -0.27 -1.27 120.40 128.90 3ifs s VAL 80 Ca 0.11 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3ifs s VAL 80 Cb -0.16 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.91 3ifs s VAL 80 CO 0.10 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.65 3ifs n GLY 81 N 4.90 0.54 3.15 4.51 0.00 -0.94 -1.03 105.19 116.31 3ifs n GLY 81 Ca -0.12 -0.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.98 3ifs n GLY 81 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ifs s ILE 82 N -2.00 0.15 0.00 -0.61 2.07 -1.26 -3.17 121.20 116.38 3ifs s ILE 82 Ca 0.00 -1.75 0.00 0.00 -1.41 0.00 0.00 60.65 57.49 3ifs s ILE 82 Cb 0.00 -1.74 0.00 0.00 0.13 0.00 0.00 42.46 40.85 3ifs s ILE 82 CO 0.00 -0.68 0.00 0.61 -1.91 0.00 0.00 174.94 172.96 3ifs n GLY 83 N -0.02 3.55 0.32 1.50 0.00 -1.26 -1.58 105.19 107.69 3ifs n GLY 83 Ca -0.10 -0.04 0.17 0.00 0.00 0.00 0.00 46.02 46.06 3ifs n GLY 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ifs h GLY 84 N 0.00 0.00 -1.11 -0.02 0.00 -1.97 -0.73 103.07 99.24 3ifs h GLY 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ifs h GLY 84 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 3ifs n SER 85 N -3.65 1.59 0.03 0.19 7.64 -0.62 -4.33 113.62 114.48 3ifs n SER 85 Ca -0.02 -2.06 0.00 0.00 1.01 0.00 0.00 58.87 57.80 3ifs n SER 85 Cb 0.14 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 3ifs n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ifs n TYR 86 N 0.23 -0.50 -0.22 1.43 9.36 -0.37 -4.31 117.16 122.78 3ifs n TYR 86 Ca 0.09 0.09 -0.08 0.00 3.32 0.00 0.00 57.90 61.32 3ifs n TYR 86 Cb 0.28 0.40 0.03 0.00 -0.63 0.00 0.00 39.34 39.42 3ifs n TYR 86 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3ifs h LEU 87 N 0.00 0.90 0.07 2.98 3.38 -1.52 -2.16 115.31 118.95 3ifs h LEU 87 Ca 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3ifs h LEU 87 Cb 0.18 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3ifs h LEU 87 CO 0.00 0.86 -0.08 1.23 0.09 0.00 0.00 178.44 180.54 3ifs h GLY 88 N 0.89 -0.15 0.91 0.83 0.00 -1.82 -0.07 103.07 103.65 3ifs h GLY 88 Ca 0.20 0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 3ifs h GLY 88 CO -0.01 -0.08 0.06 0.00 0.00 0.00 0.00 176.54 176.51 3ifs h ALA 89 N 0.75 0.16 -0.69 3.60 0.00 -1.86 -1.98 119.26 119.25 3ifs h ALA 89 Ca 0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3ifs h ALA 89 Cb 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3ifs h ALA 89 CO -0.03 -0.28 0.27 -0.09 0.00 0.00 0.00 179.25 179.12 3ifs h ARG 90 N 0.08 1.02 -0.12 0.00 2.43 -1.32 0.12 114.38 116.59 3ifs h ARG 90 Ca 0.04 -0.17 0.01 0.00 -0.81 0.00 0.00 59.98 59.05 3ifs h ARG 90 Cb 0.11 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3ifs h ARG 90 CO -0.01 0.83 0.06 0.00 -1.51 0.00 0.00 179.97 179.35 3ifs h ALA 91 N 1.30 0.15 -0.18 2.80 0.00 -0.84 -1.08 119.26 121.40 3ifs h ALA 91 Ca 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3ifs h ALA 91 Cb 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3ifs h ALA 91 CO -0.02 -0.38 0.04 0.00 0.00 0.00 0.00 179.25 178.89 3ifs h ALA 92 N 1.06 0.24 -0.83 0.00 0.00 -1.06 -3.18 119.26 115.49 3ifs h ALA 92 Ca 0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3ifs h ALA 92 Cb 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3ifs h ALA 92 CO -0.03 -0.12 0.46 0.82 0.00 0.00 0.00 179.25 180.38 3ifs h ILE 93 N 0.10 1.24 0.00 0.00 2.04 -0.88 -1.94 117.51 118.07 3ifs h ILE 93 Ca 0.06 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.32 3ifs h ILE 93 Cb 0.27 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 3ifs h ILE 93 CO 0.00 0.27 0.00 -0.62 0.00 0.00 0.00 178.15 177.80 3ifs n GLU 94 N -4.34 0.98 0.00 2.37 1.02 -0.42 -2.50 120.64 117.74 3ifs n GLU 94 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 3ifs n GLU 94 Cb 0.09 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 3ifs n GLU 94 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ifs n LEU 96 N 0.75 0.00 -4.82 -4.62 4.77 -0.73 -4.80 117.00 107.55 3ifs n LEU 96 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 3ifs n LEU 96 Cb 0.49 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 3ifs n LEU 96 CO 0.00 0.00 -0.06 0.20 -1.33 0.00 0.00 177.39 176.20 3ifs s ASN 97 N 0.00 4.62 0.33 -1.43 -0.87 -1.04 -5.05 114.94 111.50 3ifs s ASN 97 Ca 0.00 -1.08 -0.27 0.00 -1.57 0.00 0.00 52.86 49.95 3ifs s ASN 97 Cb 0.00 -0.18 -0.13 0.00 -0.02 0.00 0.00 41.25 40.91 3ifs s ASN 97 CO 0.00 -0.75 0.93 1.57 -2.57 0.00 0.00 177.10 176.27 3ifs n HIS 98 N -1.47 0.95 0.31 2.20 -0.00 -1.26 -4.86 115.22 111.09 3ifs n HIS 98 Ca -0.01 0.67 0.18 0.00 -0.00 0.00 0.00 57.72 58.57 3ifs n HIS 98 Cb 0.64 -2.20 1.04 0.00 -0.00 0.00 0.00 29.99 29.47 3ifs n HIS 98 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 3ifs h SER 99 N 1.70 0.00 -0.12 0.26 0.02 -1.98 -2.16 113.55 111.27 3ifs h SER 99 Ca -0.40 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.43 3ifs h SER 99 Cb 1.35 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.75 3ifs h SER 99 CO 0.58 0.01 -0.67 0.49 -1.14 0.00 0.00 176.83 176.10 3ifs n PHE 100 N -3.49 0.41 -0.28 3.45 3.01 -1.26 -4.93 117.46 114.37 3ifs n PHE 100 Ca -0.03 -1.44 -0.07 0.00 1.01 0.00 0.00 57.45 56.93 3ifs n PHE 100 Cb 0.09 -0.24 -0.06 0.00 -0.01 0.00 0.00 39.48 39.26 3ifs n PHE 100 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 3ifs n TYR 101 N -0.75 -0.26 0.23 1.38 9.36 -0.81 -0.54 117.16 125.78 3ifs n TYR 101 Ca 0.19 0.84 0.12 0.00 3.32 0.00 0.00 57.90 62.37 3ifs n TYR 101 Cb 0.82 -0.58 0.43 0.00 -0.63 0.00 0.00 39.34 39.38 3ifs n TYR 101 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 3ifs h ASN 102 N 0.00 0.00 1.04 2.98 2.35 -1.92 -3.20 115.58 116.83 3ifs h ASN 102 Ca 0.12 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.71 3ifs h ASN 102 Cb 0.29 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 3ifs h ASN 102 CO -0.64 0.13 -0.76 0.74 -1.65 0.00 0.00 177.43 175.25 3ifs h THR 103 N 0.00 1.40 -3.61 2.81 2.02 -1.22 -3.46 112.91 110.84 3ifs h THR 103 Ca -0.00 -2.76 -0.47 0.00 0.77 0.00 0.00 66.41 63.95 3ifs h THR 103 Cb 0.78 2.55 0.21 0.00 -1.74 0.00 0.00 68.15 69.95 3ifs h THR 103 CO 0.02 0.75 0.08 -0.76 0.37 0.00 0.00 175.52 175.97 3ifs s LEU 104 N -6.83 1.55 0.51 2.58 1.43 -0.62 -5.01 118.68 112.29 3ifs s LEU 104 Ca 0.01 1.81 -0.13 0.00 -1.03 0.00 0.00 54.13 54.80 3ifs s LEU 104 Cb 0.10 -3.87 -0.06 0.00 0.03 0.00 0.00 46.19 42.38 3ifs s LEU 104 CO 0.78 -3.90 0.92 -0.94 0.23 0.00 0.00 176.35 173.44 3ifs s SER 105 N -2.49 6.47 0.19 2.29 1.04 -1.26 -4.83 113.70 115.11 3ifs s SER 105 Ca 0.68 1.35 -0.22 0.00 0.48 0.00 0.00 55.95 58.24 3ifs s SER 105 Cb -0.25 -2.42 0.11 0.00 0.10 0.00 0.00 66.02 63.56 3ifs s SER 105 CO 0.63 -0.60 1.57 0.11 0.98 0.00 0.00 173.24 175.93 3ifs h LYS 106 N 0.66 -0.14 -0.14 4.02 1.57 -1.95 0.76 116.57 121.35 3ifs h LYS 106 Ca -0.46 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.38 3ifs h LYS 106 Cb 1.19 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.47 3ifs h LYS 106 CO 0.62 -0.09 -0.28 0.93 -0.57 0.00 0.00 179.45 180.06 3ifs h GLU 107 N -0.15 -0.33 -0.60 3.15 5.08 -1.96 0.42 114.58 120.19 3ifs h GLU 107 Ca 0.24 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.68 3ifs h GLU 107 Cb 0.56 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 3ifs h GLU 107 CO -0.76 -0.22 0.31 1.96 -1.00 0.00 0.00 179.01 179.30 3ifs h GLN 108 N -0.35 0.57 -0.07 2.33 4.20 -1.65 -3.18 115.11 116.96 3ifs h GLN 108 Ca 0.10 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.67 3ifs h GLN 108 Cb 0.50 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 28.16 3ifs h GLN 108 CO -0.34 0.38 -0.37 -0.09 -0.67 0.00 0.00 178.83 177.74 3ifs h ARG 109 N 0.59 0.38 0.00 1.46 2.43 -0.09 -3.48 114.38 115.67 3ifs h ARG 109 Ca 0.27 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3ifs h ARG 109 Cb 0.19 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3ifs h ARG 109 CO -0.19 0.95 0.00 1.63 -1.51 0.00 0.00 179.97 180.86 3ifs n LYS 110 N -4.37 0.00 -4.25 0.20 5.02 0.14 -4.94 118.16 109.96 3ifs n LYS 110 Ca -0.08 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.96 3ifs n LYS 110 Cb 0.53 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.46 3ifs n LYS 110 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3ifs s THR 111 N -0.19 2.59 0.62 -0.18 -4.23 -1.26 -5.04 115.64 107.94 3ifs s THR 111 Ca 0.00 -1.85 -0.18 0.00 -1.18 0.00 0.00 61.69 58.49 3ifs s THR 111 Cb 0.00 -2.90 -0.02 0.00 1.34 0.00 0.00 72.50 70.92 3ifs s THR 111 CO 0.00 -0.13 1.18 -2.84 -0.54 0.00 0.00 174.62 172.28 3ifs s PRO 112 N -3.79 2.89 0.49 3.99 0.02 -1.26 -4.98 135.00 132.35 3ifs s PRO 112 Ca 0.37 1.71 -0.23 0.00 0.02 0.00 0.00 61.00 62.87 3ifs s PRO 112 Cb 0.01 -1.93 -0.06 0.00 0.02 0.00 0.00 34.50 32.53 3ifs s PRO 112 CO 0.21 -1.24 1.27 -0.65 -0.33 0.00 0.00 177.00 176.25 3ifs s GLN 113 N -3.53 3.53 -0.23 5.54 -0.21 -0.60 -4.79 119.66 119.36 3ifs s GLN 113 Ca 0.75 2.02 0.02 0.00 0.02 0.00 0.00 55.36 58.17 3ifs s GLN 113 Cb -0.27 -2.39 0.04 0.00 1.00 0.00 0.00 33.01 31.38 3ifs s GLN 113 CO 0.35 -0.81 -0.13 0.08 -2.12 0.00 0.00 175.29 172.66 3ifs s VAL 114 N -1.40 2.23 0.09 1.09 1.01 -1.26 -1.04 120.40 121.11 3ifs s VAL 114 Ca 0.66 -1.35 0.09 0.00 0.00 0.00 0.00 61.98 61.38 3ifs s VAL 114 Cb -0.35 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3ifs s VAL 114 CO 0.42 0.17 -0.20 -0.76 0.00 0.00 0.00 175.10 174.74 3ifs s LEU 115 N 1.19 2.58 0.02 3.92 1.43 -0.46 -5.00 118.68 122.35 3ifs s LEU 115 Ca -0.03 -0.55 0.06 0.00 -1.03 0.00 0.00 54.13 52.57 3ifs s LEU 115 Cb -0.17 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 3ifs s LEU 115 CO -0.07 0.21 -0.16 -0.36 0.23 0.00 0.00 176.35 176.19 3ifs s PHE 116 N -1.05 2.61 0.14 0.29 0.40 -1.26 0.13 117.98 119.25 3ifs s PHE 116 Ca 0.16 -0.22 -0.14 0.00 -0.60 0.00 0.00 56.93 56.13 3ifs s PHE 116 Cb -0.10 -1.51 0.02 0.00 0.51 0.00 0.00 43.02 41.93 3ifs s PHE 116 CO 0.08 0.24 0.38 0.54 0.70 0.00 0.00 175.22 177.15 3ifs s VAL 117 N -0.88 0.07 0.00 -0.44 0.11 -0.40 -4.89 120.40 113.98 3ifs s VAL 117 Ca 0.14 -0.82 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 3ifs s VAL 117 Cb -0.11 -1.37 0.00 0.00 -1.53 0.00 0.00 36.38 33.37 3ifs s VAL 117 CO 0.04 -0.32 0.00 0.61 -3.33 0.00 0.00 175.10 172.10 3ifs n GLY 118 N -0.22 0.75 0.97 6.54 0.00 -1.26 -2.22 105.19 109.74 3ifs n GLY 118 Ca -0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.00 3ifs n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ifs n GLN 119 N -2.39 2.27 -3.95 1.61 0.00 -1.19 -2.71 117.38 111.02 3ifs n GLN 119 Ca 0.00 -1.91 -0.11 0.00 0.00 0.00 0.00 57.00 54.98 3ifs n GLN 119 Cb 0.00 -1.48 -0.02 0.00 0.00 0.00 0.00 30.24 28.75 3ifs n GLN 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3ifs s ASN 120 N -1.57 0.27 -0.30 2.61 2.20 -1.26 -4.95 114.94 111.95 3ifs s ASN 120 Ca 0.36 -1.16 0.08 0.00 -0.94 0.00 0.00 52.86 51.20 3ifs s ASN 120 Cb 0.21 0.72 0.46 0.00 -2.00 0.00 0.00 41.25 40.65 3ifs s ASN 120 CO 0.30 -1.42 1.18 -0.38 -2.94 0.00 0.00 177.10 173.84 3ifs n ILE 121 N -0.51 2.41 -3.25 0.54 5.41 -1.26 -4.88 119.36 117.82 3ifs n ILE 121 Ca -0.03 -4.17 -0.42 0.00 1.00 0.00 0.00 62.75 59.12 3ifs n ILE 121 Cb 0.61 -0.96 -0.08 0.00 -0.71 0.00 0.00 39.64 38.50 3ifs n ILE 121 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3ifs s SER 122 N -3.61 6.26 0.36 4.38 0.15 -1.26 -4.94 113.70 115.04 3ifs s SER 122 Ca 0.49 -0.38 0.14 0.00 0.70 0.00 0.00 55.95 56.90 3ifs s SER 122 Cb 0.40 -2.26 0.67 0.00 -1.71 0.00 0.00 66.02 63.12 3ifs s SER 122 CO 0.02 -0.59 1.77 0.77 1.20 0.00 0.00 173.24 176.41 3ifs h SER 123 N 8.68 0.00 -0.19 5.45 4.64 -2.05 -2.86 113.55 127.21 3ifs h SER 123 Ca -0.27 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.03 3ifs h SER 123 Cb 1.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 3ifs h SER 123 CO 0.81 0.42 0.03 0.74 -0.87 0.00 0.00 176.83 177.96 3ifs h THR 124 N 0.00 1.22 0.00 2.95 2.02 -2.04 -1.08 112.91 115.98 3ifs h THR 124 Ca -0.00 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.46 3ifs h THR 124 Cb 0.80 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 3ifs h THR 124 CO 0.05 0.22 0.00 0.00 0.37 0.00 0.00 175.52 176.16 3ifs n TYR 125 N -4.76 0.00 0.00 3.16 4.19 -1.08 -1.32 117.16 117.35 3ifs n TYR 125 Ca -0.04 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.17 3ifs n TYR 125 Cb 0.18 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.01 3ifs n TYR 125 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 3ifs n LYS 127 N 0.01 0.00 -0.23 2.98 3.00 -0.41 -1.55 118.16 121.96 3ifs n LYS 127 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 3ifs n LYS 127 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.08 3ifs n LYS 127 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3ifs h ASP 128 N 0.00 1.04 0.00 3.14 3.32 -1.44 -3.22 116.42 119.27 3ifs h ASP 128 Ca 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3ifs h ASP 128 Cb 0.00 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.27 3ifs h ASP 128 CO 0.00 1.04 0.00 -0.11 -1.72 0.00 0.00 179.24 178.45 3ifs n LEU 129 N -4.21 0.17 0.00 1.55 7.94 -0.60 -3.32 117.00 118.53 3ifs n LEU 129 Ca 0.04 -0.08 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 3ifs n LEU 129 Cb 0.30 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.21 3ifs n LEU 129 CO 0.43 0.03 0.00 0.47 -1.11 0.00 0.00 177.39 177.21 3ifs n ASP 131 N 1.93 0.00 0.08 1.96 8.00 -1.22 -2.17 116.55 125.12 3ifs n ASP 131 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 3ifs n ASP 131 Cb 0.02 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.24 3ifs n ASP 131 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3ifs h VAL 132 N 0.00 1.37 0.00 2.53 2.07 -1.90 -3.04 116.25 117.29 3ifs h VAL 132 Ca 0.00 -1.91 -0.11 0.00 0.82 0.00 0.00 66.70 65.50 3ifs h VAL 132 Cb 0.00 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 3ifs h VAL 132 CO 0.00 0.57 -0.54 -0.07 0.02 0.00 0.00 177.57 177.55 3ifs h LEU 133 N 0.21 0.00 -9.21 2.57 3.38 -1.77 -3.45 115.31 107.04 3ifs h LEU 133 Ca -0.00 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.26 3ifs h LEU 133 Cb 1.07 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.85 3ifs h LEU 133 CO 0.09 0.54 0.71 1.21 0.09 0.00 0.00 178.44 181.08 3ifs n GLU 134 N -3.54 1.18 -1.00 1.13 2.13 -1.15 -1.63 120.64 117.76 3ifs n GLU 134 Ca -0.00 0.43 -0.00 0.00 0.66 0.00 0.00 57.16 58.25 3ifs n GLU 134 Cb 0.63 -2.10 -0.00 0.00 0.27 0.00 0.00 31.44 30.24 3ifs n GLU 134 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ifs n GLY 135 N 3.46 0.44 3.23 8.31 0.00 -1.26 -5.03 105.19 114.34 3ifs n GLY 135 Ca 0.23 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 3ifs n GLY 135 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ifs s LYS 136 N -0.34 1.02 0.09 1.61 0.00 -0.64 -5.13 119.74 116.35 3ifs s LYS 136 Ca 0.00 -1.45 -0.27 0.00 0.00 0.00 0.00 55.97 54.25 3ifs s LYS 136 Cb 0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 37.83 37.39 3ifs s LYS 136 CO 0.00 -0.03 0.83 -0.51 0.00 0.00 0.00 175.35 175.64 3ifs s ASP 137 N -3.14 7.33 0.13 0.03 1.01 -1.26 -4.95 116.67 115.83 3ifs s ASP 137 Ca 0.18 1.59 -0.05 0.00 0.71 0.00 0.00 52.55 54.98 3ifs s ASP 137 Cb 0.05 -2.51 -0.02 0.00 1.01 0.00 0.00 42.92 41.44 3ifs s ASP 137 CO 0.00 0.03 0.15 0.72 0.21 0.00 0.00 175.17 176.28 3ifs s PHE 138 N -0.24 0.56 0.13 4.23 -0.71 -1.26 0.24 117.98 120.93 3ifs s PHE 138 Ca 0.41 -0.96 0.03 0.00 -1.04 0.00 0.00 56.93 55.37 3ifs s PHE 138 Cb -0.22 -0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 41.29 3ifs s PHE 138 CO 0.26 -0.58 -0.09 -1.12 -1.34 0.00 0.00 175.22 172.35 3ifs s SER 139 N -2.98 1.54 -0.09 1.98 0.01 -0.76 -4.96 113.70 108.44 3ifs s SER 139 Ca 0.17 -1.01 0.03 0.00 1.31 0.00 0.00 55.95 56.46 3ifs s SER 139 Cb 0.06 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.32 3ifs s SER 139 CO -0.02 -0.38 -0.20 -0.63 0.41 0.00 0.00 173.24 172.42 3ifs s ILE 140 N -3.43 1.75 -0.37 1.44 1.01 -0.27 -0.48 121.20 120.86 3ifs s ILE 140 Ca 0.15 -0.84 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 3ifs s ILE 140 Cb 0.03 -1.53 0.09 0.00 0.01 0.00 0.00 42.46 41.06 3ifs s ILE 140 CO -0.01 0.49 0.13 0.21 0.00 0.00 0.00 174.94 175.76 3ifs s ASN 141 N 0.47 5.14 -0.21 3.58 3.04 0.08 -0.78 114.94 126.26 3ifs s ASN 141 Ca -0.17 -1.73 -0.16 0.00 0.04 0.00 0.00 52.86 50.85 3ifs s ASN 141 Cb -0.17 -1.79 -0.04 0.00 -1.54 0.00 0.00 41.25 37.71 3ifs s ASN 141 CO 0.07 -0.43 0.39 0.54 -3.04 0.00 0.00 177.10 174.62 3ifs s VAL 142 N 1.19 5.20 -0.24 -5.21 0.11 -0.50 -1.11 120.40 119.84 3ifs s VAL 142 Ca 0.03 0.68 0.02 0.00 -2.93 0.00 0.00 61.98 59.78 3ifs s VAL 142 Cb -0.21 -3.72 0.06 0.00 -1.53 0.00 0.00 36.38 30.97 3ifs s VAL 142 CO -0.03 0.25 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.28 3ifs s ILE 143 N 1.34 1.80 -0.28 7.04 1.01 -0.20 -0.61 121.20 131.29 3ifs s ILE 143 Ca 0.18 -1.36 -0.17 0.00 0.00 0.00 0.00 60.65 59.30 3ifs s ILE 143 Cb -0.15 -1.97 0.11 0.00 0.01 0.00 0.00 42.46 40.46 3ifs s ILE 143 CO 0.08 -0.03 0.83 -0.55 0.00 0.00 0.00 174.94 175.26 3ifs s SER 144 N 1.28 -0.72 0.01 3.58 0.15 -0.53 -4.47 113.70 113.01 3ifs s SER 144 Ca -0.06 1.19 -0.24 0.00 0.70 0.00 0.00 55.95 57.53 3ifs s SER 144 Cb -0.19 1.28 -0.18 0.00 -1.71 0.00 0.00 66.02 65.23 3ifs s SER 144 CO -0.06 -0.19 1.40 0.50 1.20 0.00 0.00 173.24 176.09 3ifs h LYS 145 N 6.26 0.05 0.00 5.44 3.64 -1.92 -3.35 116.57 126.68 3ifs h LYS 145 Ca -0.29 -0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 58.84 3ifs h LYS 145 Cb 1.21 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.98 3ifs h LYS 145 CO 0.16 0.40 -1.62 -1.13 -2.27 0.00 0.00 179.45 174.99 3ifs n SER 146 N -4.88 0.79 0.00 4.20 3.41 -1.26 -2.89 113.62 112.99 3ifs n SER 146 Ca -0.08 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 3ifs n SER 146 Cb 0.20 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 3ifs n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ifs n GLY 147 N 1.49 0.53 0.00 5.00 0.00 -1.26 -1.31 105.19 109.64 3ifs n GLY 147 Ca -0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.92 3ifs n GLY 147 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ifs n THR 148 N -2.69 0.00 -1.67 2.61 -2.24 -1.26 -4.66 114.28 104.37 3ifs n THR 148 Ca 0.00 -0.30 -0.47 0.00 -2.27 0.00 0.00 64.05 61.01 3ifs n THR 148 Cb 0.05 0.93 -0.04 0.00 -2.10 0.00 0.00 70.33 69.16 3ifs n THR 148 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3ifs n THR 149 N -1.25 0.29 -0.07 4.28 -1.04 -1.26 -4.84 114.28 110.38 3ifs n THR 149 Ca 0.01 -0.05 -0.10 0.00 -2.04 0.00 0.00 64.05 61.87 3ifs n THR 149 Cb 0.13 -1.70 -0.04 0.00 -1.82 0.00 0.00 70.33 66.90 3ifs n THR 149 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3ifs h THR 150 N 4.51 0.19 -0.01 12.58 2.02 -1.98 -1.44 112.91 128.78 3ifs h THR 150 Ca -0.47 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 3ifs h THR 150 Cb 1.26 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 3ifs h THR 150 CO 0.92 0.00 0.00 -0.33 0.37 0.00 0.00 175.52 176.48 3ifs h GLU 151 N -0.35 0.02 -0.11 6.66 3.07 -1.89 -1.45 114.58 120.53 3ifs h GLU 151 Ca 0.13 -0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.85 3ifs h GLU 151 Cb 0.57 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 3ifs h GLU 151 CO -0.49 0.19 -0.55 -1.00 -1.40 0.00 0.00 179.01 175.77 3ifs h PRO 152 N -0.16 0.32 -0.54 2.33 0.13 -1.52 -2.00 132.00 130.55 3ifs h PRO 152 Ca 0.00 -0.20 -0.03 0.00 -0.87 0.00 0.00 66.00 64.91 3ifs h PRO 152 Cb 0.18 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.31 3ifs h PRO 152 CO -0.00 0.78 0.23 0.00 -0.23 0.00 0.00 178.00 178.78 3ifs h ALA 153 N 1.18 1.38 -0.07 -0.56 0.00 -1.11 0.76 119.26 120.84 3ifs h ALA 153 Ca 0.00 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 3ifs h ALA 153 Cb 1.04 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.61 3ifs h ALA 153 CO 0.09 0.47 -0.53 1.25 0.00 0.00 0.00 179.25 180.53 3ifs h LEU 154 N 0.77 0.58 -0.73 0.00 5.85 -1.09 -2.73 115.31 117.97 3ifs h LEU 154 Ca 0.19 -0.68 -0.07 0.00 0.84 0.00 0.00 57.88 58.16 3ifs h LEU 154 Cb 0.14 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3ifs h LEU 154 CO -0.02 1.17 0.16 0.00 -0.34 0.00 0.00 178.44 179.41 3ifs h ALA 155 N 0.43 0.95 -0.86 1.25 0.00 -1.09 -2.25 119.26 117.68 3ifs h ALA 155 Ca -0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3ifs h ALA 155 Cb 1.19 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3ifs h ALA 155 CO 0.11 0.67 0.45 0.35 0.00 0.00 0.00 179.25 180.83 3ifs h PHE 156 N 1.06 1.20 -0.10 0.00 3.57 -0.88 0.50 116.94 122.30 3ifs h PHE 156 Ca 0.22 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.71 3ifs h PHE 156 Cb 0.39 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3ifs h PHE 156 CO 0.03 0.84 -0.05 -0.09 -2.23 0.00 0.00 178.31 176.81 3ifs h ARG 157 N 1.21 -0.05 -0.21 1.11 2.43 -1.13 0.12 114.38 117.87 3ifs h ARG 157 Ca 0.30 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.44 3ifs h ARG 157 Cb 0.06 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3ifs h ARG 157 CO -0.04 -0.03 0.00 0.82 -1.51 0.00 0.00 179.97 179.21 3ifs h ILE 158 N -0.05 1.25 0.00 1.20 2.04 -0.90 -3.01 117.51 118.05 3ifs h ILE 158 Ca 0.06 -0.87 -0.14 0.00 1.00 0.00 0.00 64.86 64.91 3ifs h ILE 158 Cb 0.13 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3ifs h ILE 158 CO -0.13 0.27 -0.78 -0.26 0.00 0.00 0.00 178.15 177.24 3ifs h PHE 159 N 0.14 0.00 -0.43 1.37 0.04 -0.84 -3.04 116.94 114.18 3ifs h PHE 159 Ca 0.06 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.75 3ifs h PHE 159 Cb 0.39 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 3ifs h PHE 159 CO 0.03 0.63 -0.05 -0.09 -0.60 0.00 0.00 178.31 178.24 3ifs h ARG 160 N 0.00 0.72 -0.43 1.51 2.43 -0.82 -1.05 114.38 116.75 3ifs h ARG 160 Ca -0.04 -0.21 -0.11 0.00 -0.81 0.00 0.00 59.98 58.81 3ifs h ARG 160 Cb 1.52 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.97 3ifs h ARG 160 CO 0.08 0.77 -0.18 -0.22 -1.51 0.00 0.00 179.97 178.90 3ifs h LYS 161 N 0.67 0.83 -0.64 0.20 3.64 -1.51 -1.09 116.57 118.68 3ifs h LYS 161 Ca 0.13 -0.32 -0.08 0.00 -1.27 0.00 0.00 60.65 59.11 3ifs h LYS 161 Cb 0.49 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 3ifs h LYS 161 CO 0.03 0.95 0.09 -0.07 -2.27 0.00 0.00 179.45 178.17 3ifs h LEU 162 N 0.73 1.03 -0.33 5.20 3.38 -1.34 -0.32 115.31 123.67 3ifs h LEU 162 Ca 0.11 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3ifs h LEU 162 Cb 0.70 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3ifs h LEU 162 CO 0.05 1.04 0.10 0.25 0.09 0.00 0.00 178.44 179.96 3ifs h LEU 163 N 0.98 0.48 -0.82 1.67 5.85 -0.90 -1.60 115.31 120.99 3ifs h LEU 163 Ca 0.19 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 3ifs h LEU 163 Cb 0.45 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3ifs h LEU 163 CO 0.02 0.57 0.00 -0.33 -0.34 0.00 0.00 178.44 178.35 3ifs h GLU 164 N 0.37 0.89 -0.41 1.25 5.08 -1.10 -1.23 114.58 119.44 3ifs h GLU 164 Ca 0.10 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 3ifs h GLU 164 Cb 0.26 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3ifs h GLU 164 CO -0.00 0.89 -0.02 0.93 -1.00 0.00 0.00 179.01 179.80 3ifs h GLU 165 N 0.83 0.67 -0.01 2.33 5.08 -0.85 0.23 114.58 122.85 3ifs h GLU 165 Ca 0.16 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3ifs h GLU 165 Cb 0.49 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3ifs h GLU 165 CO 0.02 0.70 -0.14 -0.22 -1.00 0.00 0.00 179.01 178.37 3ifs h LYS 166 N 0.63 0.11 -0.00 2.33 3.64 -1.00 -3.39 116.57 118.88 3ifs h LYS 166 Ca 0.12 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3ifs h LYS 166 Cb 0.43 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3ifs h LYS 166 CO 0.02 0.83 -0.56 0.66 -2.27 0.00 0.00 179.45 178.13 3ifs n TYR 167 N -4.60 0.00 0.00 1.91 4.01 -0.49 -5.11 117.16 112.88 3ifs n TYR 167 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 3ifs n TYR 167 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 3ifs n TYR 167 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ifs n GLY 168 N 1.27 -0.55 0.36 2.72 0.00 0.80 -4.25 105.19 105.55 3ifs n GLY 168 Ca 0.03 -1.62 -0.02 0.00 0.00 0.00 0.00 46.02 44.41 3ifs n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ifs h LYS 169 N 0.00 1.24 0.01 1.61 1.79 -1.93 -1.81 116.57 117.48 3ifs h LYS 169 Ca 0.00 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3ifs h LYS 169 Cb 0.00 -0.28 0.00 0.00 -1.58 0.00 0.00 32.23 30.37 3ifs h LYS 169 CO 0.00 0.82 -0.00 1.49 -1.08 0.00 0.00 179.45 180.68 3ifs h GLU 170 N 1.28 -0.01 -0.09 3.15 4.81 -1.96 -2.71 114.58 119.05 3ifs h GLU 170 Ca 0.36 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.47 3ifs h GLU 170 Cb -0.10 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3ifs h GLU 170 CO -0.09 0.24 -0.50 1.49 -0.73 0.00 0.00 179.01 179.42 3ifs h GLU 171 N -0.25 0.23 -0.96 1.92 4.57 -1.73 -3.17 114.58 115.20 3ifs h GLU 171 Ca -0.00 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 3ifs h GLU 171 Cb 0.25 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.80 3ifs h GLU 171 CO 0.00 0.68 0.61 0.00 -1.18 0.00 0.00 179.01 179.12 3ifs h ALA 172 N 1.30 1.22 0.00 2.92 0.00 -1.26 -2.09 119.26 121.34 3ifs h ALA 172 Ca 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ifs h ALA 172 Cb 0.95 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3ifs h ALA 172 CO 0.08 0.64 -0.01 0.00 0.00 0.00 0.00 179.25 179.95 3ifs h ARG 173 N 1.31 0.00 -0.01 0.00 3.08 -1.45 0.90 114.38 118.21 3ifs h ARG 173 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 3ifs h ARG 173 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.94 3ifs h ARG 173 CO -0.07 0.01 -0.24 1.63 -1.07 0.00 0.00 179.97 180.23 3ifs n LYS 174 N -3.38 1.01 -0.07 0.04 5.02 -0.80 -3.98 118.16 116.00 3ifs n LYS 174 Ca -0.03 -0.63 0.03 0.00 -2.02 0.00 0.00 58.31 55.66 3ifs n LYS 174 Cb 0.11 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 33.70 3ifs n LYS 174 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ifs n ARG 175 N -0.45 2.38 -4.57 1.97 1.74 0.26 -4.96 116.66 113.03 3ifs n ARG 175 Ca 0.13 -1.60 -0.33 0.00 -0.77 0.00 0.00 57.85 55.28 3ifs n ARG 175 Cb 0.37 -1.12 -0.15 0.00 -1.02 0.00 0.00 32.46 30.53 3ifs n ARG 175 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3ifs s ILE 176 N -0.90 2.77 -0.22 0.55 1.01 -0.92 -1.11 121.20 122.37 3ifs s ILE 176 Ca 0.10 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 60.03 3ifs s ILE 176 Cb 0.06 -2.17 0.04 0.00 0.01 0.00 0.00 42.46 40.40 3ifs s ILE 176 CO 0.07 0.51 -0.15 -0.31 0.00 0.00 0.00 174.94 175.07 3ifs s TYR 177 N 0.73 3.04 -0.26 3.97 1.51 0.04 -3.49 117.35 122.90 3ifs s TYR 177 Ca -0.06 -2.02 -0.10 0.00 -1.01 0.00 0.00 57.07 53.87 3ifs s TYR 177 Cb -0.15 -1.92 -0.05 0.00 -0.11 0.00 0.00 41.96 39.73 3ifs s TYR 177 CO 0.01 -0.85 0.16 0.00 -1.11 0.00 0.00 175.55 173.76 3ifs s ALA 178 N 1.19 3.48 -0.34 3.71 0.00 -0.26 -1.41 121.76 128.13 3ifs s ALA 178 Ca -0.03 -1.04 -0.08 0.00 0.00 0.00 0.00 51.96 50.81 3ifs s ALA 178 Cb -0.17 -2.35 0.02 0.00 0.00 0.00 0.00 23.12 20.62 3ifs s ALA 178 CO -0.09 -0.43 0.14 0.99 0.00 0.00 0.00 175.76 176.37 3ifs s THR 179 N 1.52 4.20 0.00 0.00 2.01 0.22 -0.38 115.64 123.21 3ifs s THR 179 Ca 0.07 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.23 3ifs s THR 179 Cb -0.15 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.08 3ifs s THR 179 CO 0.08 -0.10 0.00 1.07 -0.69 0.00 0.00 174.62 174.98 3ifs n THR 180 N 4.91 0.00 -1.75 -0.82 5.66 -0.30 -1.45 114.28 120.53 3ifs n THR 180 Ca -0.13 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.48 3ifs n THR 180 Cb 0.46 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.27 3ifs n THR 180 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3ifs n ASP 181 N -0.81 2.99 0.20 1.09 2.03 -1.14 -1.00 116.55 119.91 3ifs n ASP 181 Ca 0.00 1.06 0.14 0.00 0.52 0.00 0.00 54.79 56.51 3ifs n ASP 181 Cb 0.00 -1.58 0.60 0.00 -0.72 0.00 0.00 41.12 39.42 3ifs n ASP 181 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 3ifs h LYS 182 N 1.92 0.00 0.00 -0.67 2.10 -1.90 -3.41 116.57 114.61 3ifs h LYS 182 Ca -0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 3ifs h LYS 182 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 3ifs h LYS 182 CO 0.59 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 178.04 3ifs n ALA 183 N -1.91 0.41 -2.52 0.07 0.00 -1.26 -5.11 120.51 110.18 3ifs n ALA 183 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.21 3ifs n ALA 183 Cb 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.59 3ifs n ALA 183 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ifs s ARG 184 N -0.67 1.78 0.00 0.00 0.52 -1.26 -4.86 118.95 114.46 3ifs s ARG 184 Ca 0.00 -1.99 0.00 0.00 -0.52 0.00 0.00 55.73 53.22 3ifs s ARG 184 Cb 0.00 -1.22 0.00 0.00 0.52 0.00 0.00 34.95 34.25 3ifs s ARG 184 CO 0.00 -0.11 0.00 0.41 0.02 0.00 0.00 175.30 175.62 3ifs n GLY 185 N -0.81 1.71 0.30 -3.53 0.00 -1.26 -4.44 105.19 97.16 3ifs n GLY 185 Ca -0.04 -2.00 -0.06 0.00 0.00 0.00 0.00 46.02 43.93 3ifs n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ifs h ALA 186 N 0.00 0.94 -0.03 4.61 0.00 -1.52 -2.21 119.26 121.05 3ifs h ALA 186 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 3ifs h ALA 186 Cb 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.51 3ifs h ALA 186 CO 0.00 0.46 -0.57 1.25 0.00 0.00 0.00 179.25 180.39 3ifs h LEU 187 N 1.01 0.55 -0.86 0.00 5.85 -1.82 -2.19 115.31 117.86 3ifs h LEU 187 Ca 0.26 -0.72 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 3ifs h LEU 187 Cb 0.06 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 3ifs h LEU 187 CO -0.04 1.20 0.50 0.50 -0.34 0.00 0.00 178.44 180.26 3ifs h LYS 188 N -0.04 1.18 -0.40 1.25 1.63 -1.77 0.10 116.57 118.52 3ifs h LYS 188 Ca -0.06 -0.12 -0.04 0.00 -0.85 0.00 0.00 60.65 59.58 3ifs h LYS 188 Cb 1.26 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 32.63 3ifs h LYS 188 CO 0.11 0.84 0.11 1.15 -3.45 0.00 0.00 179.45 178.21 3ifs h THR 189 N 1.18 1.22 -0.34 1.00 2.02 -1.42 0.08 112.91 116.66 3ifs h THR 189 Ca 0.31 -0.75 0.01 0.00 0.77 0.00 0.00 66.41 66.74 3ifs h THR 189 Cb -0.02 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 3ifs h THR 189 CO -0.05 0.26 0.22 0.25 0.37 0.00 0.00 175.52 176.57 3ifs h LEU 190 N 0.50 0.37 -0.77 2.58 5.85 -1.02 -0.18 115.31 122.64 3ifs h LEU 190 Ca 0.13 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3ifs h LEU 190 Cb 0.29 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3ifs h LEU 190 CO -0.00 0.27 0.49 0.00 -0.34 0.00 0.00 178.44 178.86 3ifs h ALA 191 N 1.13 0.98 -0.65 1.25 0.00 -0.51 0.02 119.26 121.49 3ifs h ALA 191 Ca 0.13 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3ifs h ALA 191 Cb -0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 3ifs h ALA 191 CO -0.04 0.42 0.21 -0.44 0.00 0.00 0.00 179.25 179.40 3ifs h ASP 192 N 1.05 0.94 0.27 0.00 3.32 -0.65 0.34 116.42 121.69 3ifs h ASP 192 Ca 0.28 -0.21 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 3ifs h ASP 192 Cb -0.09 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 3ifs h ASP 192 CO -0.06 0.90 -0.47 0.78 -1.72 0.00 0.00 179.24 178.67 3ifs h ASN 193 N 0.94 0.26 0.31 6.45 2.35 -0.45 -3.25 115.58 122.18 3ifs h ASN 193 Ca 0.21 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3ifs h ASN 193 Cb 0.29 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3ifs h ASN 193 CO -0.01 0.70 -1.58 -0.62 -1.65 0.00 0.00 177.43 174.27 3ifs n GLU 194 N -3.98 0.57 -2.36 0.81 -0.58 -0.06 -5.00 120.64 110.04 3ifs n GLU 194 Ca -0.02 -0.08 -0.02 0.00 -0.42 0.00 0.00 57.16 56.62 3ifs n GLU 194 Cb 0.52 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 3ifs n GLU 194 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ifs n GLY 195 N 1.26 0.58 3.82 0.62 0.00 0.11 -4.94 105.19 106.65 3ifs n GLY 195 Ca -0.02 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 3ifs n GLY 195 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ifs s TYR 196 N -2.63 3.21 0.24 1.61 2.02 -0.96 -4.91 117.35 115.94 3ifs s TYR 196 Ca 0.03 1.48 -0.30 0.00 -0.37 0.00 0.00 57.07 57.91 3ifs s TYR 196 Cb -0.01 -2.90 -0.10 0.00 -0.40 0.00 0.00 41.96 38.54 3ifs s TYR 196 CO 0.04 -0.81 1.50 -1.21 -1.57 0.00 0.00 175.55 173.50 3ifs s GLU 197 N -4.19 4.23 0.14 -0.62 0.41 -1.23 -4.87 118.70 112.57 3ifs s GLU 197 Ca 0.61 2.37 0.09 0.00 -0.41 0.00 0.00 54.97 57.63 3ifs s GLU 197 Cb -0.13 -3.10 -0.04 0.00 -1.78 0.00 0.00 34.13 29.08 3ifs s GLU 197 CO 0.37 -0.50 -0.21 0.95 -0.49 0.00 0.00 175.26 175.37 3ifs s THR 198 N 0.26 1.89 0.13 3.63 -4.23 -1.26 -1.10 115.64 114.95 3ifs s THR 198 Ca 0.63 -1.77 0.05 0.00 -1.18 0.00 0.00 61.69 59.41 3ifs s THR 198 Cb -0.43 -1.78 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 3ifs s THR 198 CO 0.41 -0.15 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.88 3ifs s PHE 199 N -1.55 1.24 -0.14 3.99 0.08 0.49 -4.96 117.98 117.14 3ifs s PHE 199 Ca 0.12 -0.69 -0.03 0.00 0.12 0.00 0.00 56.93 56.45 3ifs s PHE 199 Cb -0.08 -0.64 -0.03 0.00 -0.57 0.00 0.00 43.02 41.70 3ifs s PHE 199 CO 0.06 0.08 -0.03 0.08 -0.10 0.00 0.00 175.22 175.31 3ifs s VAL 200 N -2.86 4.01 -0.37 -0.44 1.01 -1.26 -1.15 120.40 119.34 3ifs s VAL 200 Ca 0.12 -0.33 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 3ifs s VAL 200 Cb -0.00 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.64 3ifs s VAL 200 CO 0.01 0.52 0.46 -0.63 0.00 0.00 0.00 175.10 175.46 3ifs s ILE 201 N 0.03 5.06 0.56 2.22 1.01 -0.17 -4.44 121.20 125.47 3ifs s ILE 201 Ca 0.01 0.08 -0.21 0.00 0.00 0.00 0.00 60.65 60.53 3ifs s ILE 201 Cb -0.13 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 3ifs s ILE 201 CO 0.02 -0.26 1.31 -2.84 0.00 0.00 0.00 174.94 173.17 3ifs s PRO 202 N 2.27 3.10 0.49 2.79 0.02 -1.26 -4.48 135.00 137.93 3ifs s PRO 202 Ca 0.16 2.10 0.26 0.00 0.02 0.00 0.00 61.00 63.53 3ifs s PRO 202 Cb -0.16 -2.17 1.28 0.00 0.02 0.00 0.00 34.50 33.47 3ifs s PRO 202 CO 0.13 -1.18 1.99 -0.44 -0.33 0.00 0.00 177.00 177.18 3ifs h ASP 203 N 1.32 0.00 -0.59 2.53 3.32 -1.96 -2.93 116.42 118.10 3ifs h ASP 203 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 3ifs h ASP 203 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3ifs h ASP 203 CO 0.57 0.16 0.00 -0.90 -1.72 0.00 0.00 179.24 177.35 3ifs n ASP 204 N -3.58 5.48 -3.89 6.45 5.68 -1.26 -4.80 116.55 120.62 3ifs n ASP 204 Ca -0.01 -2.81 -0.30 0.00 -0.50 0.00 0.00 54.79 51.17 3ifs n ASP 204 Cb 0.30 -0.66 -0.15 0.00 -1.14 0.00 0.00 41.12 39.46 3ifs n ASP 204 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3ifs s VAL 205 N -2.53 1.44 0.76 2.12 1.01 -1.11 -0.60 120.40 121.50 3ifs s VAL 205 Ca 0.53 -1.41 -0.12 0.00 0.00 0.00 0.00 61.98 60.98 3ifs s VAL 205 Cb 0.39 -1.87 0.05 0.00 0.00 0.00 0.00 36.38 34.95 3ifs s VAL 205 CO 0.18 -0.33 1.11 -0.83 0.00 0.00 0.00 175.10 175.23 3ifs s GLY 206 N 1.39 1.84 0.20 4.51 0.00 -1.26 -4.74 107.32 109.26 3ifs s GLY 206 Ca 0.01 0.41 -0.17 0.00 0.00 0.00 0.00 44.72 44.97 3ifs s GLY 206 CO -0.11 0.78 1.60 -1.33 0.00 0.00 0.00 173.10 174.04 3ifs h GLY 207 N -0.89 0.17 2.00 0.20 0.00 -1.96 -0.65 103.07 101.94 3ifs h GLY 207 Ca -0.44 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3ifs h GLY 207 CO 0.51 -0.23 0.00 0.07 0.00 0.00 0.00 176.54 176.88 3ifs h ARG 208 N -0.09 0.00 -0.42 4.80 0.11 -1.92 -1.00 114.38 115.86 3ifs h ARG 208 Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 3ifs h ARG 208 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 3ifs h ARG 208 CO -0.68 0.00 0.00 1.19 0.10 0.00 0.00 179.97 180.58 3ifs n PHE 209 N -2.80 1.12 0.24 4.08 3.01 -0.28 -4.71 117.46 118.12 3ifs n PHE 209 Ca -0.01 -0.70 0.12 0.00 1.01 0.00 0.00 57.45 57.86 3ifs n PHE 209 Cb 0.14 -0.25 0.23 0.00 -0.01 0.00 0.00 39.48 39.58 3ifs n PHE 209 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3ifs n SER 210 N 0.30 3.54 0.08 4.37 3.41 -0.38 -4.55 113.62 120.39 3ifs n SER 210 Ca 0.21 -2.00 0.07 0.00 -0.26 0.00 0.00 58.87 56.89 3ifs n SER 210 Cb 0.82 -0.28 0.52 0.00 -0.26 0.00 0.00 64.21 65.02 3ifs n SER 210 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3ifs h VAL 211 N 4.49 1.03 -0.10 -3.33 3.04 -1.84 -1.61 116.25 117.92 3ifs h VAL 211 Ca 0.00 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 3ifs h VAL 211 Cb 0.99 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 30.96 3ifs h VAL 211 CO 0.00 0.06 0.00 0.18 -1.01 0.00 0.00 177.57 176.80 3ifs n LEU 212 N -4.49 1.10 0.00 3.16 4.77 -1.26 -2.68 117.00 117.60 3ifs n LEU 212 Ca 0.02 -0.45 -0.20 0.00 -0.03 0.00 0.00 56.01 55.34 3ifs n LEU 212 Cb 0.13 -0.06 0.10 0.00 -2.33 0.00 0.00 43.42 41.25 3ifs n LEU 212 CO 0.35 0.23 0.48 0.35 -1.33 0.00 0.00 177.39 177.47 3ifs n THR 213 N -0.06 0.00 0.32 -5.08 -2.24 -0.61 -4.84 114.28 101.78 3ifs n THR 213 Ca 0.16 -1.47 0.19 0.00 -2.27 0.00 0.00 64.05 60.66 3ifs n THR 213 Cb 0.24 -0.89 1.03 0.00 -2.10 0.00 0.00 70.33 68.62 3ifs n THR 213 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3ifs h PRO 214 N 0.00 0.00 -0.51 -0.78 0.11 -1.83 -2.17 132.00 126.82 3ifs h PRO 214 Ca -0.29 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.92 3ifs h PRO 214 Cb 1.11 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.12 3ifs h PRO 214 CO 0.33 0.00 -0.11 0.28 -0.21 0.00 0.00 178.00 178.28 3ifs h VAL 215 N 0.00 0.50 0.12 3.15 2.07 -1.84 -2.64 116.25 117.60 3ifs h VAL 215 Ca 0.01 -0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.17 3ifs h VAL 215 Cb 0.29 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3ifs h VAL 215 CO -0.00 0.00 -1.90 1.23 0.02 0.00 0.00 177.57 176.92 3ifs h GLY 216 N 0.01 0.29 1.32 2.17 0.00 -1.18 -3.42 103.07 102.26 3ifs h GLY 216 Ca 0.25 -0.73 0.05 0.00 0.00 0.00 0.00 47.33 46.89 3ifs h GLY 216 CO -0.52 0.64 0.35 1.41 0.00 0.00 0.00 176.54 178.42 3ifs h LEU 217 N -0.04 0.46 0.30 3.11 3.38 -1.37 -2.15 115.31 119.01 3ifs h LEU 217 Ca -0.41 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 3ifs h LEU 217 Cb 1.96 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.62 3ifs h LEU 217 CO 0.07 0.31 -0.15 0.25 0.09 0.00 0.00 178.44 179.01 3ifs h LEU 218 N 0.53 -0.35 -1.13 1.67 5.85 -1.71 -1.23 115.31 118.94 3ifs h LEU 218 Ca 0.22 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3ifs h LEU 218 Cb 0.21 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3ifs h LEU 218 CO -0.06 0.12 0.46 -0.65 -0.34 0.00 0.00 178.44 177.97 3ifs h PRO 219 N -0.95 1.06 -0.62 5.25 0.11 -1.80 -0.93 132.00 134.12 3ifs h PRO 219 Ca -0.04 -0.10 0.04 0.00 0.11 0.00 0.00 66.00 66.01 3ifs h PRO 219 Cb 0.50 -0.22 -0.05 0.00 0.11 0.00 0.00 31.00 31.34 3ifs h PRO 219 CO 0.07 0.75 0.36 0.82 -0.21 0.00 0.00 178.00 179.79 3ifs h ILE 220 N 1.08 1.02 -0.22 4.15 2.04 -1.44 -2.15 117.51 121.98 3ifs h ILE 220 Ca 0.28 -0.24 -0.13 0.00 1.00 0.00 0.00 64.86 65.77 3ifs h ILE 220 Cb -0.03 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 3ifs h ILE 220 CO -0.05 0.13 -0.42 0.00 0.00 0.00 0.00 178.15 177.80 3ifs h ALA 221 N 1.30 0.86 -0.18 1.87 0.00 -0.50 -2.78 119.26 119.83 3ifs h ALA 221 Ca 0.27 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3ifs h ALA 221 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3ifs h ALA 221 CO -0.14 0.65 -0.12 0.28 0.00 0.00 0.00 179.25 179.92 3ifs h VAL 222 N 0.44 1.18 0.00 0.00 2.07 -0.83 -1.81 116.25 117.30 3ifs h VAL 222 Ca 0.03 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3ifs h VAL 222 Cb 0.92 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3ifs h VAL 222 CO 0.08 0.25 0.00 -1.54 0.02 0.00 0.00 177.57 176.38 3ifs n SER 223 N -4.27 0.00 0.00 0.57 3.41 -0.84 -4.34 113.62 108.15 3ifs n SER 223 Ca -0.00 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 3ifs n SER 223 Cb 0.27 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3ifs n SER 223 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ifs n GLY 224 N 0.46 0.81 3.83 5.00 0.00 -0.68 -4.90 105.19 109.71 3ifs n GLY 224 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3ifs n GLY 224 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ifs s LEU 225 N 0.00 4.14 -0.80 0.99 1.43 -1.07 -5.01 118.68 118.36 3ifs s LEU 225 Ca 0.00 1.47 -0.23 0.00 -1.03 0.00 0.00 54.13 54.33 3ifs s LEU 225 Cb 0.00 -4.05 0.06 0.00 0.03 0.00 0.00 46.19 42.24 3ifs s LEU 225 CO 0.00 -0.16 1.19 0.21 0.23 0.00 0.00 176.35 177.81 3ifs s ASN 226 N -2.02 6.31 0.42 2.29 3.84 -1.26 -4.40 114.94 120.12 3ifs s ASN 226 Ca 0.53 -1.10 0.29 0.00 0.21 0.00 0.00 52.86 52.79 3ifs s ASN 226 Cb -0.13 -2.49 1.26 0.00 -0.55 0.00 0.00 41.25 39.34 3ifs s ASN 226 CO 0.18 -1.51 1.87 0.16 -2.79 0.00 0.00 177.10 175.01 3ifs h ILE 227 N 6.14 0.00 -0.18 -5.21 3.07 -1.93 -2.81 117.51 116.58 3ifs h ILE 227 Ca -0.11 -0.32 -0.10 0.00 1.55 0.00 0.00 64.86 65.88 3ifs h ILE 227 Cb 1.04 1.17 -0.00 0.00 -0.27 0.00 0.00 36.82 38.76 3ifs h ILE 227 CO 1.25 0.00 -0.26 -0.33 -1.05 0.00 0.00 178.15 177.76 3ifs h GLU 228 N 0.00 0.50 -5.26 0.16 5.08 -2.00 -3.43 114.58 109.63 3ifs h GLU 228 Ca 0.00 -0.29 -0.13 0.00 -1.00 0.00 0.00 59.36 57.93 3ifs h GLU 228 Cb 0.38 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3ifs h GLU 228 CO 0.00 0.89 0.43 -1.21 -1.00 0.00 0.00 179.01 178.12 3ifs s GLU 229 N -4.16 1.68 0.00 2.33 0.41 -1.06 -4.68 118.70 113.21 3ifs s GLU 229 Ca -0.13 -0.65 0.00 0.00 -0.41 0.00 0.00 54.97 53.78 3ifs s GLU 229 Cb 0.06 -5.07 0.00 0.00 -1.78 0.00 0.00 34.13 27.35 3ifs s GLU 229 CO 0.79 -4.90 0.00 1.63 -0.49 0.00 0.00 175.26 172.30 3ifs n LYS 232 N 8.25 0.00 -0.09 1.61 5.02 -1.26 -3.94 118.16 127.75 3ifs n LYS 232 Ca 0.43 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.61 3ifs n LYS 232 Cb 0.47 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.45 3ifs n LYS 232 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3ifs h GLY 233 N 0.00 0.49 1.43 0.72 0.00 -1.84 -1.62 103.07 102.25 3ifs h GLY 233 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 3ifs h GLY 233 CO 0.00 0.28 0.28 0.00 0.00 0.00 0.00 176.54 177.10 3ifs h ALA 234 N 0.91 1.48 -0.51 3.60 0.00 -1.78 -0.90 119.26 122.07 3ifs h ALA 234 Ca 0.09 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3ifs h ALA 234 Cb 0.26 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3ifs h ALA 234 CO -0.00 0.43 -0.13 0.00 0.00 0.00 0.00 179.25 179.54 3ifs h ALA 235 N 1.56 0.70 -0.56 0.00 0.00 -1.78 0.10 119.26 119.28 3ifs h ALA 235 Ca 0.19 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3ifs h ALA 235 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3ifs h ALA 235 CO -0.03 0.63 0.22 0.00 0.00 0.00 0.00 179.25 180.07 3ifs h ALA 236 N 0.90 0.73 -0.73 0.00 0.00 -0.68 -1.81 119.26 117.66 3ifs h ALA 236 Ca 0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3ifs h ALA 236 Cb 0.70 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3ifs h ALA 236 CO 0.05 0.35 0.36 0.78 0.00 0.00 0.00 179.25 180.79 3ifs h GLY 237 N 0.77 1.13 1.12 0.00 0.00 -0.94 0.10 103.07 105.25 3ifs h GLY 237 Ca 0.19 -0.56 0.01 0.00 0.00 0.00 0.00 47.33 46.97 3ifs h GLY 237 CO -0.01 0.53 0.59 -0.09 0.00 0.00 0.00 176.54 177.55 3ifs h ARG 238 N 1.03 1.16 0.10 4.80 2.43 -0.42 0.98 114.38 124.44 3ifs h ARG 238 Ca 0.25 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3ifs h ARG 238 Cb 0.11 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3ifs h ARG 238 CO -0.03 0.76 -0.05 0.22 -1.51 0.00 0.00 179.97 179.37 3ifs h ASP 239 N 1.19 -0.11 -0.21 -3.80 3.58 -0.91 -2.32 116.42 113.84 3ifs h ASP 239 Ca 0.33 -0.42 -0.05 0.00 0.42 0.00 0.00 57.03 57.31 3ifs h ASP 239 Cb -0.13 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 3ifs h ASP 239 CO -0.07 0.39 -0.01 0.44 -2.88 0.00 0.00 179.24 177.10 3ifs h ASP 240 N -0.65 0.47 -0.59 2.28 3.32 -0.63 -2.75 116.42 117.88 3ifs h ASP 240 Ca -0.01 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3ifs h ASP 240 Cb 0.52 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3ifs h ASP 240 CO 0.02 0.55 0.00 0.49 -1.72 0.00 0.00 179.24 178.59 3ifs n PHE 241 N -4.28 1.61 0.71 4.55 3.72 0.32 -4.11 117.46 119.99 3ifs n PHE 241 Ca 0.01 -0.67 0.12 0.00 -0.05 0.00 0.00 57.45 56.86 3ifs n PHE 241 Cb 0.25 -0.33 0.23 0.00 -0.94 0.00 0.00 39.48 38.68 3ifs n PHE 241 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ifs n GLY 242 N 0.82 1.21 3.75 1.37 0.00 -0.87 -4.95 105.19 106.52 3ifs n GLY 242 Ca 0.26 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 3ifs n GLY 242 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ifs s THR 243 N -1.71 4.29 -0.63 2.61 -1.32 -1.26 -4.97 115.64 112.65 3ifs s THR 243 Ca 0.35 1.94 0.25 0.00 -1.21 0.00 0.00 61.69 63.02 3ifs s THR 243 Cb 0.21 -4.26 0.31 0.00 -1.51 0.00 0.00 72.50 67.25 3ifs s THR 243 CO 0.31 0.46 1.72 0.77 -2.21 0.00 0.00 174.62 175.67 3ifs h SER 244 N 4.60 0.00 -3.36 8.08 4.64 -1.97 -3.45 113.55 122.09 3ifs h SER 244 Ca -0.45 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.27 3ifs h SER 244 Cb 1.20 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.20 3ifs h SER 244 CO 0.68 0.00 0.31 -0.70 -0.87 0.00 0.00 176.83 176.25 3ifs s GLU 245 N -3.14 4.19 0.23 4.77 2.56 -1.26 -4.48 118.70 121.56 3ifs s GLU 245 Ca 0.09 0.79 -0.08 0.00 0.00 0.00 0.00 54.97 55.78 3ifs s GLU 245 Cb 0.10 -3.62 0.38 0.00 2.00 0.00 0.00 34.13 32.99 3ifs s GLU 245 CO 0.62 -0.40 1.68 1.25 -0.56 0.00 0.00 175.26 177.84 3ifs h LEU 246 N 8.77 -0.08 -2.10 2.70 5.85 -1.88 -0.35 115.31 128.22 3ifs h LEU 246 Ca -0.27 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3ifs h LEU 246 Cb 1.12 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3ifs h LEU 246 CO 0.82 -0.06 0.00 1.05 -0.34 0.00 0.00 178.44 179.92 3ifs h GLU 247 N 0.22 0.00 -0.25 1.25 4.11 -1.98 -2.30 114.58 115.62 3ifs h GLU 247 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.80 3ifs h GLU 247 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3ifs h GLU 247 CO -0.50 0.00 0.00 0.39 0.07 0.00 0.00 179.01 178.97 3ifs n GLU 248 N -2.84 2.34 -3.95 1.06 -0.58 -0.18 -4.87 120.64 111.61 3ifs n GLU 248 Ca -0.01 -1.81 -0.31 0.00 -0.42 0.00 0.00 57.16 54.61 3ifs n GLU 248 Cb 0.14 -1.24 -0.15 0.00 -0.57 0.00 0.00 31.44 29.62 3ifs n GLU 248 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3ifs s ASN 249 N -0.97 4.54 0.46 1.62 3.84 -0.87 -4.93 114.94 118.63 3ifs s ASN 249 Ca 0.19 -2.26 0.14 0.00 0.21 0.00 0.00 52.86 51.14 3ifs s ASN 249 Cb 0.11 -1.50 1.07 0.00 -0.55 0.00 0.00 41.25 40.38 3ifs s ASN 249 CO 0.14 -0.35 2.04 -0.65 -2.79 0.00 0.00 177.10 175.49 3ifs h PRO 250 N 7.44 0.30 -0.39 0.43 0.11 -1.88 -0.90 132.00 137.12 3ifs h PRO 250 Ca -0.06 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 3ifs h PRO 250 Cb 0.99 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 3ifs h PRO 250 CO 0.54 0.20 0.10 0.00 -0.21 0.00 0.00 178.00 178.63 3ifs h ALA 251 N 1.78 0.52 -0.10 -0.75 0.00 -1.94 -1.72 119.26 117.05 3ifs h ALA 251 Ca 0.17 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3ifs h ALA 251 Cb 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3ifs h ALA 251 CO -0.04 0.19 -0.40 1.88 0.00 0.00 0.00 179.25 180.88 3ifs h TYR 252 N 0.49 0.26 -0.64 0.00 0.05 -1.71 -2.36 116.97 113.07 3ifs h TYR 252 Ca 0.12 -0.07 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 3ifs h TYR 252 Cb 0.30 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 37.96 3ifs h TYR 252 CO 0.02 0.60 0.27 1.96 -1.05 0.00 0.00 178.16 179.95 3ifs h GLN 253 N 0.19 0.94 -0.53 4.88 4.20 -0.90 -0.86 115.11 123.04 3ifs h GLN 253 Ca 0.02 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 3ifs h GLN 253 Cb 0.79 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 3ifs h GLN 253 CO 0.06 0.78 0.26 -0.92 -0.67 0.00 0.00 178.83 178.34 3ifs h TYR 254 N 0.89 0.77 -0.69 2.96 3.20 -1.06 -0.18 116.97 122.86 3ifs h TYR 254 Ca 0.21 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.06 3ifs h TYR 254 Cb 0.18 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 3ifs h TYR 254 CO 0.01 0.60 0.45 0.00 -1.64 0.00 0.00 178.16 177.58 3ifs h ALA 255 N 1.10 0.87 -0.10 1.82 0.00 -1.17 -0.35 119.26 121.43 3ifs h ALA 255 Ca 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3ifs h ALA 255 Cb 0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3ifs h ALA 255 CO -0.02 0.29 -0.03 0.28 0.00 0.00 0.00 179.25 179.76 3ifs h VAL 256 N 0.92 1.30 -0.37 0.00 2.07 -0.91 -2.32 116.25 116.95 3ifs h VAL 256 Ca 0.25 -1.00 0.03 0.00 0.82 0.00 0.00 66.70 66.80 3ifs h VAL 256 Cb -0.10 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 3ifs h VAL 256 CO -0.06 0.28 0.18 0.58 0.02 0.00 0.00 177.57 178.58 3ifs h VAL 257 N -0.14 0.98 -0.44 2.57 2.07 -0.87 -0.63 116.25 119.80 3ifs h VAL 257 Ca 0.02 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.48 3ifs h VAL 257 Cb 0.46 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 3ifs h VAL 257 CO 0.01 0.07 0.10 0.03 0.02 0.00 0.00 177.57 177.80 3ifs h ARG 258 N 0.38 0.23 -0.31 1.57 3.08 -1.03 -0.72 114.38 117.57 3ifs h ARG 258 Ca 0.15 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.11 3ifs h ARG 258 Cb 0.06 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3ifs h ARG 258 CO -0.11 0.15 -0.15 -0.91 -1.07 0.00 0.00 179.97 177.89 3ifs h ASN 259 N 0.24 0.54 -0.39 7.04 2.35 -1.04 -0.56 115.58 123.75 3ifs h ASN 259 Ca 0.22 -0.15 -0.10 0.00 -0.55 0.00 0.00 56.30 55.71 3ifs h ASN 259 Cb 0.26 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3ifs h ASN 259 CO -0.27 0.71 -0.16 0.00 -1.65 0.00 0.00 177.43 176.06 3ifs h ALA 260 N 1.34 0.55 -0.70 -0.83 0.00 -0.51 -2.07 119.26 117.05 3ifs h ALA 260 Ca 0.09 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 3ifs h ALA 260 Cb 0.55 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3ifs h ALA 260 CO 0.03 0.47 0.16 -0.07 0.00 0.00 0.00 179.25 179.84 3ifs h LEU 261 N 0.61 1.08 -0.73 0.00 3.38 -0.95 -2.34 115.31 116.36 3ifs h LEU 261 Ca 0.09 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.86 3ifs h LEU 261 Cb 0.70 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 3ifs h LEU 261 CO 0.05 1.04 0.45 0.22 0.09 0.00 0.00 178.44 180.29 3ifs h TYR 262 N 1.07 0.84 0.00 1.13 3.20 -0.98 -0.83 116.97 121.41 3ifs h TYR 262 Ca 0.22 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.11 3ifs h TYR 262 Cb 0.39 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.39 3ifs h TYR 262 CO 0.03 0.47 0.00 -0.91 -1.64 0.00 0.00 178.16 176.11 3ifs h ASN 263 N 0.87 0.00 -0.00 -2.11 2.35 -0.85 -1.58 115.58 114.26 3ifs h ASN 263 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 3ifs h ASN 263 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 3ifs h ASN 263 CO -0.13 0.00 -0.02 0.29 -1.65 0.00 0.00 177.43 175.93 3ifs n LYS 264 N -2.76 1.65 -0.18 0.81 5.02 -0.40 -4.93 118.16 117.36 3ifs n LYS 264 Ca -0.00 -0.99 0.00 0.00 -2.02 0.00 0.00 58.31 55.30 3ifs n LYS 264 Cb 0.19 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3ifs n LYS 264 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ifs n GLY 265 N 1.19 0.91 3.43 0.72 0.00 -0.60 -5.02 105.19 105.82 3ifs n GLY 265 Ca 0.18 -0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 3ifs n GLY 265 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ifs s LYS 266 N -0.71 3.25 0.00 1.61 -0.14 -0.67 -4.62 119.74 118.46 3ifs s LYS 266 Ca 0.00 -1.26 0.24 0.00 -1.36 0.00 0.00 55.97 53.58 3ifs s LYS 266 Cb 0.00 -4.44 0.15 0.00 -1.68 0.00 0.00 37.83 31.86 3ifs s LYS 266 CO 0.00 -1.72 1.21 0.25 -0.76 0.00 0.00 175.35 174.32 3ifs n THR 267 N 5.66 0.00 -4.37 2.17 -2.24 -0.02 -3.71 114.28 111.76 3ifs n THR 267 Ca 0.03 -0.36 -0.28 0.00 -2.27 0.00 0.00 64.05 61.17 3ifs n THR 267 Cb 0.46 1.30 -0.17 0.00 -2.10 0.00 0.00 70.33 69.82 3ifs n THR 267 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3ifs s ILE 268 N -2.25 1.45 0.00 2.28 1.01 -0.81 -0.37 121.20 122.51 3ifs s ILE 268 Ca 0.24 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.28 3ifs s ILE 268 Cb 0.19 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 41.32 3ifs s ILE 268 CO 0.44 0.43 0.00 1.21 0.00 0.00 0.00 174.94 177.03 3ifs n GLU 269 N 4.30 2.09 -3.58 2.79 2.13 -0.42 -1.54 120.64 126.41 3ifs n GLU 269 Ca -0.19 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.56 3ifs n GLU 269 Cb 0.51 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.14 3ifs n GLU 269 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3ifs s LEU 271 N 0.00 -0.71 -0.03 4.31 2.96 -0.20 0.08 118.68 125.09 3ifs s LEU 271 Ca 0.00 0.90 -0.00 0.00 -0.22 0.00 0.00 54.13 54.81 3ifs s LEU 271 Cb 0.00 1.42 -0.04 0.00 0.50 0.00 0.00 46.19 48.07 3ifs s LEU 271 CO 0.00 -0.24 0.01 -0.63 -1.32 0.00 0.00 176.35 174.17 3ifs s ILE 272 N 2.63 4.30 0.10 6.68 -1.09 0.22 -1.97 121.20 132.07 3ifs s ILE 272 Ca 0.01 -0.44 0.02 0.00 -2.23 0.00 0.00 60.65 58.01 3ifs s ILE 272 Cb -0.13 -2.89 -0.04 0.00 -1.58 0.00 0.00 42.46 37.82 3ifs s ILE 272 CO -0.14 0.45 -0.07 0.54 -1.23 0.00 0.00 174.94 174.49 3ifs s ASN 273 N -1.35 1.20 -0.14 3.58 2.20 -1.08 -0.44 114.94 118.91 3ifs s ASN 273 Ca 0.18 -0.95 0.17 0.00 -0.94 0.00 0.00 52.86 51.31 3ifs s ASN 273 Cb -0.12 0.07 0.38 0.00 -2.00 0.00 0.00 41.25 39.59 3ifs s ASN 273 CO 0.08 -0.41 1.26 -1.22 -2.94 0.00 0.00 177.10 173.87 3ifs n TYR 274 N 0.13 0.42 -3.67 1.54 4.02 -1.26 -0.21 117.16 118.13 3ifs n TYR 274 Ca -0.13 -0.90 -0.22 0.00 -0.01 0.00 0.00 57.90 56.64 3ifs n TYR 274 Cb 0.60 -0.21 -0.18 0.00 -0.02 0.00 0.00 39.34 39.53 3ifs n TYR 274 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3ifs s GLU 275 N -2.68 0.07 0.57 -0.72 0.41 -1.26 -4.77 118.70 110.31 3ifs s GLU 275 Ca 0.34 0.22 0.27 0.00 -0.41 0.00 0.00 54.97 55.40 3ifs s GLU 275 Cb 0.29 -0.89 1.52 0.00 -1.78 0.00 0.00 34.13 33.26 3ifs s GLU 275 CO 0.06 -0.40 2.03 -1.00 -0.49 0.00 0.00 175.26 175.46 3ifs h PRO 276 N 8.41 0.00 0.00 0.39 0.13 -1.92 -1.03 132.00 137.98 3ifs h PRO 276 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3ifs h PRO 276 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3ifs h PRO 276 CO 0.20 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.97 3ifs h ALA 277 N 1.71 1.00 -0.06 -0.56 0.00 -1.96 -1.92 119.26 117.47 3ifs h ALA 277 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ifs h ALA 277 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3ifs h ALA 277 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 3ifs n LEU 278 N -3.07 0.93 -0.04 0.00 4.77 -0.39 -4.36 117.00 114.84 3ifs n LEU 278 Ca -0.02 -0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 55.51 3ifs n LEU 278 Cb 0.12 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 3ifs n LEU 278 CO 0.21 0.18 0.89 -0.61 -1.33 0.00 0.00 177.39 176.73 3ifs h GLN 279 N 1.32 0.12 -0.05 3.23 4.15 -1.52 -2.01 115.11 120.35 3ifs h GLN 279 Ca 0.00 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.32 3ifs h GLN 279 Cb 0.29 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 3ifs h GLN 279 CO 0.00 0.08 -0.41 1.88 -1.93 0.00 0.00 178.83 178.45 3ifs h TYR 280 N 0.12 0.13 -0.64 3.99 0.05 -1.84 -2.36 116.97 116.43 3ifs h TYR 280 Ca 0.09 -0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.84 3ifs h TYR 280 Cb 0.08 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 37.75 3ifs h TYR 280 CO -0.14 0.51 0.42 0.35 -1.05 0.00 0.00 178.16 178.26 3ifs h PHE 281 N 0.10 0.80 -0.59 4.88 3.57 -1.67 -1.06 116.94 122.97 3ifs h PHE 281 Ca 0.01 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 3ifs h PHE 281 Cb 0.78 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 3ifs h PHE 281 CO 0.01 0.50 0.12 0.00 -2.23 0.00 0.00 178.31 176.71 3ifs h ALA 282 N 1.60 1.11 -0.56 2.41 0.00 -0.85 -0.31 119.26 122.66 3ifs h ALA 282 Ca 0.24 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3ifs h ALA 282 Cb -0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3ifs h ALA 282 CO -0.05 0.59 0.21 0.93 0.00 0.00 0.00 179.25 180.93 3ifs h GLU 283 N 0.88 0.84 -0.66 0.00 4.39 -1.00 -0.06 114.58 118.97 3ifs h GLU 283 Ca 0.19 -0.16 0.03 0.00 0.34 0.00 0.00 59.36 59.75 3ifs h GLU 283 Cb 0.35 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 3ifs h GLU 283 CO 0.00 0.74 0.41 2.35 -1.16 0.00 0.00 179.01 181.35 3ifs h TRP 284 N 0.76 0.77 -0.59 4.33 7.01 -0.78 -1.85 115.95 125.61 3ifs h TRP 284 Ca 0.18 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.19 3ifs h TRP 284 Cb 0.22 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.00 3ifs h TRP 284 CO 0.01 0.44 0.29 2.35 -2.79 0.00 0.00 178.44 178.74 3ifs h TRP 285 N 0.81 0.84 -0.75 2.65 7.01 -0.59 -1.25 115.95 124.68 3ifs h TRP 285 Ca 0.26 -0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 3ifs h TRP 285 Cb 0.01 -0.26 -0.04 0.00 -2.10 0.00 0.00 29.16 26.77 3ifs h TRP 285 CO -0.05 0.64 0.42 0.87 -2.79 0.00 0.00 178.44 177.54 3ifs h LYS 286 N 0.80 1.03 -0.15 2.65 1.57 -0.63 -0.89 116.57 120.95 3ifs h LYS 286 Ca 0.20 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3ifs h LYS 286 Cb 0.10 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3ifs h LYS 286 CO -0.03 0.75 0.06 0.37 -0.57 0.00 0.00 179.45 180.04 3ifs h GLN 287 N 1.03 0.23 0.24 3.15 4.15 -1.06 0.13 115.11 122.98 3ifs h GLN 287 Ca 0.26 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.65 3ifs h GLN 287 Cb 0.01 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.63 3ifs h GLN 287 CO -0.05 0.32 -0.50 1.25 -1.93 0.00 0.00 178.83 177.93 3ifs h LEU 288 N 0.09 -1.46 -0.22 -2.39 5.85 -0.90 -0.46 115.31 115.83 3ifs h LEU 288 Ca 0.05 0.14 -0.22 0.00 0.84 0.00 0.00 57.88 58.70 3ifs h LEU 288 Cb 0.18 0.52 0.01 0.00 0.37 0.00 0.00 40.66 41.74 3ifs h LEU 288 CO -0.00 -0.57 -0.77 -0.26 -0.34 0.00 0.00 178.44 176.50 3ifs h PHE 289 N -0.80 0.96 -0.27 1.25 0.04 -1.21 -2.79 116.94 114.11 3ifs h PHE 289 Ca -0.02 -0.42 -0.02 0.00 2.80 0.00 0.00 57.97 60.30 3ifs h PHE 289 Cb 0.76 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 3ifs h PHE 289 CO -0.38 1.24 0.10 0.78 -0.60 0.00 0.00 178.31 179.45 3ifs h GLY 290 N 0.72 0.44 1.84 -1.45 0.00 -0.71 -0.81 103.07 103.10 3ifs h GLY 290 Ca -0.05 -0.25 -0.17 0.00 0.00 0.00 0.00 47.33 46.87 3ifs h GLY 290 CO 0.15 0.23 -0.75 0.83 0.00 0.00 0.00 176.54 177.00 3ifs h GLU 291 N 0.29 0.15 -0.03 4.80 5.08 -1.20 -1.17 114.58 122.50 3ifs h GLU 291 Ca 0.09 -0.14 -0.24 0.00 -1.00 0.00 0.00 59.36 58.07 3ifs h GLU 291 Cb 0.20 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.49 3ifs h GLU 291 CO -0.01 0.83 -0.95 0.77 -1.00 0.00 0.00 179.01 178.66 3ifs h SER 292 N 0.10 0.77 0.00 1.42 0.02 -1.39 -3.39 113.55 111.08 3ifs h SER 292 Ca -0.02 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 3ifs h SER 292 Cb 1.32 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.63 3ifs h SER 292 CO 0.11 1.39 -1.07 -0.62 -1.14 0.00 0.00 176.83 175.50 3ifs n GLU 293 N -3.83 1.55 -2.20 3.45 1.02 -0.32 -4.18 120.64 116.13 3ifs n GLU 293 Ca -0.09 -0.05 -0.43 0.00 -0.02 0.00 0.00 57.16 56.58 3ifs n GLU 293 Cb 0.83 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 31.01 3ifs n GLU 293 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ifs n GLY 294 N 1.46 3.55 3.41 0.62 0.00 -0.44 -4.09 105.19 109.70 3ifs n GLY 294 Ca 0.01 -1.58 -0.10 0.00 0.00 0.00 0.00 46.02 44.35 3ifs n GLY 294 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ifs s LYS 295 N 3.48 1.22 -1.25 1.61 -2.85 -1.20 -4.90 119.74 115.86 3ifs s LYS 295 Ca 0.50 -0.90 -0.07 0.00 -1.00 0.00 0.00 55.97 54.50 3ifs s LYS 295 Cb 0.08 0.47 0.05 0.00 -2.06 0.00 0.00 37.83 36.37 3ifs s LYS 295 CO -0.00 -0.49 0.39 -0.25 0.10 0.00 0.00 175.35 175.10 3ifs n ASP 296 N -0.27 -4.03 -1.76 0.03 8.00 -1.26 -1.24 116.55 116.03 3ifs n ASP 296 Ca -0.11 -0.24 -0.17 0.00 0.71 0.00 0.00 54.79 54.98 3ifs n ASP 296 Cb 0.63 -3.34 -0.03 0.00 -0.02 0.00 0.00 41.12 38.36 3ifs n ASP 296 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ifs n GLN 297 N -3.55 -1.31 -4.53 -1.24 3.00 -1.26 -5.00 117.38 103.48 3ifs n GLN 297 Ca -0.06 0.91 -0.25 0.00 -0.01 0.00 0.00 57.00 57.60 3ifs n GLN 297 Cb 0.57 -5.29 -0.10 0.00 0.00 0.00 0.00 30.24 25.41 3ifs n GLN 297 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3ifs s LYS 298 N -4.43 1.82 0.00 -1.09 1.02 -0.37 -5.14 119.74 111.55 3ifs s LYS 298 Ca 0.00 -2.05 0.00 0.00 0.02 0.00 0.00 55.97 53.94 3ifs s LYS 298 Cb 0.00 -1.09 0.00 0.00 -0.52 0.00 0.00 37.83 36.22 3ifs s LYS 298 CO 0.00 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.63 3ifs n GLY 299 N -0.85 3.36 3.74 -3.33 0.00 -1.26 -3.22 105.19 103.63 3ifs n GLY 299 Ca -0.05 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 3ifs n GLY 299 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ifs s ILE 300 N -1.09 2.84 -0.20 -0.61 1.01 -1.26 -4.97 121.20 116.92 3ifs s ILE 300 Ca 0.00 0.67 -0.29 0.00 0.00 0.00 0.00 60.65 61.03 3ifs s ILE 300 Cb 0.00 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 39.04 3ifs s ILE 300 CO 0.00 0.09 1.13 0.12 0.00 0.00 0.00 174.94 176.28 3ifs s PHE 301 N 0.29 3.15 -0.24 3.97 5.36 0.51 -4.85 117.98 126.17 3ifs s PHE 301 Ca 0.61 1.29 -0.24 0.00 -0.96 0.00 0.00 56.93 57.63 3ifs s PHE 301 Cb -0.40 -3.36 -0.01 0.00 -0.34 0.00 0.00 43.02 38.91 3ifs s PHE 301 CO 0.39 -0.96 0.79 -1.25 -1.46 0.00 0.00 175.22 172.73 3ifs s PRO 302 N 3.29 4.18 0.37 10.12 0.04 -1.26 -1.30 135.00 150.45 3ifs s PRO 302 Ca 0.48 0.88 0.05 0.00 0.04 0.00 0.00 61.00 62.45 3ifs s PRO 302 Cb -0.18 -3.64 -0.07 0.00 0.04 0.00 0.00 34.50 30.66 3ifs s PRO 302 CO 0.10 -0.47 0.04 0.45 0.04 0.00 0.00 177.00 177.15 3ifs s SER 303 N 1.34 3.12 0.05 6.66 0.15 0.11 -4.96 113.70 120.18 3ifs s SER 303 Ca 0.34 -1.40 -0.18 0.00 0.70 0.00 0.00 55.95 55.41 3ifs s SER 303 Cb -0.15 -0.17 0.04 0.00 -1.71 0.00 0.00 66.02 64.02 3ifs s SER 303 CO 0.08 -0.56 0.41 -0.94 1.20 0.00 0.00 173.24 173.43 3ifs s SER 304 N -3.61 -0.27 -0.01 5.45 1.04 -1.26 -1.03 113.70 114.01 3ifs s SER 304 Ca 0.34 -0.05 -0.15 0.00 0.48 0.00 0.00 55.95 56.58 3ifs s SER 304 Cb 0.09 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.66 3ifs s SER 304 CO 0.16 -0.69 0.31 0.00 0.98 0.00 0.00 173.24 174.00 3ifs s ALA 305 N -2.66 -0.76 -0.31 5.32 0.00 -0.83 -4.89 121.76 117.63 3ifs s ALA 305 Ca -0.04 0.28 -0.04 0.00 0.00 0.00 0.00 51.96 52.16 3ifs s ALA 305 Cb -0.00 0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.27 3ifs s ALA 305 CO -0.04 -0.28 0.04 -0.80 0.00 0.00 0.00 175.76 174.69 3ifs s ASN 306 N -1.42 5.06 0.24 0.00 0.01 -1.26 -2.65 114.94 114.92 3ifs s ASN 306 Ca -0.13 -1.20 0.03 0.00 -0.71 0.00 0.00 52.86 50.86 3ifs s ASN 306 Cb -0.05 -1.78 -0.03 0.00 0.41 0.00 0.00 41.25 39.80 3ifs s ASN 306 CO 0.03 -0.28 0.38 -0.36 -1.51 0.00 0.00 177.10 175.36 3ifs s PHE 307 N 1.32 3.47 -1.50 2.20 0.08 0.71 0.13 117.98 124.38 3ifs s PHE 307 Ca -0.04 0.11 0.29 0.00 0.12 0.00 0.00 56.93 57.42 3ifs s PHE 307 Cb -0.20 -1.68 1.50 0.00 -0.57 0.00 0.00 43.02 42.08 3ifs s PHE 307 CO 0.01 0.39 2.02 -1.13 -0.10 0.00 0.00 175.22 176.41 3ifs n SER 308 N -1.24 0.00 -0.23 1.36 3.41 -1.26 -4.04 113.62 111.62 3ifs n SER 308 Ca -0.07 -0.23 -0.05 0.00 -0.26 0.00 0.00 58.87 58.25 3ifs n SER 308 Cb 0.56 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3ifs n SER 308 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3ifs h THR 309 N 0.00 0.13 0.00 6.66 2.02 -1.92 -0.69 112.91 119.11 3ifs h THR 309 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3ifs h THR 309 Cb 0.24 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3ifs h THR 309 CO 0.00 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.36 3ifs n ASP 310 N -5.43 0.00 0.11 4.18 8.00 0.12 -1.94 116.55 121.59 3ifs n ASP 310 Ca 0.04 -0.13 0.11 0.00 0.71 0.00 0.00 54.79 55.53 3ifs n ASP 310 Cb 0.36 -0.25 0.46 0.00 -0.02 0.00 0.00 41.12 41.67 3ifs n ASP 310 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3ifs n LEU 311 N -1.25 0.56 -1.07 0.64 4.77 -0.27 0.02 117.00 120.41 3ifs n LEU 311 Ca 0.12 0.64 0.11 0.00 -0.03 0.00 0.00 56.01 56.84 3ifs n LEU 311 Cb 0.17 -0.56 0.20 0.00 -2.33 0.00 0.00 43.42 40.89 3ifs n LEU 311 CO 0.17 -0.51 0.68 1.41 -1.33 0.00 0.00 177.39 177.80 3ifs n HIS 312 N -2.12 0.48 0.05 -1.77 8.25 -0.82 -3.18 115.22 116.11 3ifs n HIS 312 Ca 0.02 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 3ifs n HIS 312 Cb 0.22 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 3ifs n HIS 312 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3ifs n SER 313 N 1.36 0.46 -0.39 0.41 3.41 -0.82 -4.89 113.62 113.16 3ifs n SER 313 Ca 0.18 0.15 0.09 0.00 -0.26 0.00 0.00 58.87 59.03 3ifs n SER 313 Cb 0.57 -0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 64.44 3ifs n SER 313 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ifs n LEU 314 N -3.25 1.72 -0.20 1.04 4.77 0.10 -4.65 117.00 116.54 3ifs n LEU 314 Ca 0.00 -0.75 -0.01 0.00 -0.03 0.00 0.00 56.01 55.22 3ifs n LEU 314 Cb 0.14 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.33 3ifs n LEU 314 CO 0.00 0.33 1.01 1.23 -1.33 0.00 0.00 177.39 178.62 3ifs h GLY 315 N 3.96 0.84 0.51 -0.72 0.00 -1.27 0.25 103.07 106.64 3ifs h GLY 315 Ca 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 47.33 47.24 3ifs h GLY 315 CO 0.00 0.03 0.01 -1.61 0.00 0.00 0.00 176.54 174.97 3ifs h GLN 316 N 0.46 0.11 -0.29 4.80 5.75 -1.83 -1.50 115.11 122.60 3ifs h GLN 316 Ca 0.29 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.74 3ifs h GLN 316 Cb 0.31 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 3ifs h GLN 316 CO -0.26 0.07 0.02 -0.92 -2.65 0.00 0.00 178.83 175.09 3ifs h TYR 317 N 0.11 0.55 -0.80 3.99 3.20 -1.64 -0.07 116.97 122.31 3ifs h TYR 317 Ca 0.16 -0.09 0.07 0.00 3.14 0.00 0.00 58.73 62.01 3ifs h TYR 317 Cb 0.21 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.27 3ifs h TYR 317 CO -0.22 0.63 0.48 0.28 -1.64 0.00 0.00 178.16 177.68 3ifs h VAL 318 N 0.31 0.98 -0.11 1.81 2.07 -0.81 0.15 116.25 120.65 3ifs h VAL 318 Ca 0.09 -0.29 -0.22 0.00 0.82 0.00 0.00 66.70 67.09 3ifs h VAL 318 Cb 0.40 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.24 3ifs h VAL 318 CO 0.01 0.15 -0.82 -0.61 0.02 0.00 0.00 177.57 176.32 3ifs h GLN 319 N 0.85 0.70 0.00 1.57 5.75 -0.96 -3.42 115.11 119.60 3ifs h GLN 319 Ca 0.36 -0.61 0.00 0.00 -0.15 0.00 0.00 58.65 58.26 3ifs h GLN 319 Cb 0.23 0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.92 3ifs h GLN 319 CO -0.20 1.21 -0.01 0.39 -2.65 0.00 0.00 178.83 177.58 3ifs n GLU 320 N -3.90 0.63 0.00 1.69 1.02 -0.07 -4.76 120.64 115.26 3ifs n GLU 320 Ca -0.07 -0.73 0.00 0.00 -0.02 0.00 0.00 57.16 56.34 3ifs n GLU 320 Cb 0.77 -0.61 0.00 0.00 -0.02 0.00 0.00 31.44 31.58 3ifs n GLU 320 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ifs n GLY 321 N -0.11 0.35 3.76 0.62 0.00 0.51 -4.98 105.19 105.34 3ifs n GLY 321 Ca 0.00 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 3ifs n GLY 321 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ifs s ARG 322 N 0.93 4.13 -1.37 1.61 0.52 -1.26 -4.89 118.95 118.62 3ifs s ARG 322 Ca 0.00 2.56 -0.06 0.00 -0.52 0.00 0.00 55.73 57.70 3ifs s ARG 322 Cb 0.00 -3.02 0.07 0.00 0.52 0.00 0.00 34.95 32.53 3ifs s ARG 322 CO 0.00 -0.59 2.52 0.54 0.02 0.00 0.00 175.30 177.79 3ifs n ARG 323 N 1.75 4.38 -0.16 3.54 5.12 -1.26 -4.33 116.66 125.70 3ifs n ARG 323 Ca 0.06 -3.17 0.05 0.00 -1.93 0.00 0.00 57.85 52.87 3ifs n ARG 323 Cb 0.38 -2.66 0.13 0.00 -1.16 0.00 0.00 32.46 29.15 3ifs n ARG 323 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3ifs n ASP 324 N 2.11 2.73 -4.46 0.55 8.00 -1.26 -4.83 116.55 119.38 3ifs n ASP 324 Ca 0.66 -2.44 -0.26 0.00 0.71 0.00 0.00 54.79 53.46 3ifs n ASP 324 Cb 0.25 -0.27 -0.11 0.00 -0.02 0.00 0.00 41.12 40.97 3ifs n ASP 324 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ifs s LEU 325 N -1.77 2.58 0.03 0.64 1.43 -1.26 -0.85 118.68 119.48 3ifs s LEU 325 Ca 0.22 -0.87 -0.01 0.00 -1.03 0.00 0.00 54.13 52.44 3ifs s LEU 325 Cb 0.16 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 3ifs s LEU 325 CO 0.07 0.09 -0.02 0.72 0.23 0.00 0.00 176.35 177.44 3ifs s PHE 326 N -1.96 0.36 -0.01 0.29 -0.12 -0.59 -4.25 117.98 111.70 3ifs s PHE 326 Ca 0.24 -0.75 0.08 0.00 -0.05 0.00 0.00 56.93 56.45 3ifs s PHE 326 Cb -0.07 -0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 42.03 3ifs s PHE 326 CO 0.12 -0.29 -0.26 -1.21 -0.05 0.00 0.00 175.22 173.54 3ifs s GLU 327 N -2.61 2.06 -0.24 1.99 2.02 -0.11 -4.27 118.70 117.54 3ifs s GLU 327 Ca -0.05 -0.96 0.02 0.00 0.02 0.00 0.00 54.97 54.00 3ifs s GLU 327 Cb -0.02 -2.04 0.06 0.00 0.10 0.00 0.00 34.13 32.24 3ifs s GLU 327 CO -0.05 0.55 -0.08 0.99 0.02 0.00 0.00 175.26 176.69 3ifs s THR 328 N -0.65 1.78 -0.26 3.63 2.01 -1.26 -0.53 115.64 120.35 3ifs s THR 328 Ca 0.10 -1.34 -0.11 0.00 0.31 0.00 0.00 61.69 60.65 3ifs s THR 328 Cb -0.10 -1.96 -0.05 0.00 0.01 0.00 0.00 72.50 70.40 3ifs s THR 328 CO -0.00 -0.03 0.21 -0.69 -0.69 0.00 0.00 174.62 173.41 3ifs s VAL 329 N 1.29 5.31 -0.43 3.82 1.01 0.79 -0.61 120.40 131.57 3ifs s VAL 329 Ca -0.06 0.23 -0.27 0.00 0.00 0.00 0.00 61.98 61.88 3ifs s VAL 329 Cb -0.19 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.67 3ifs s VAL 329 CO -0.06 0.27 1.03 -0.76 0.00 0.00 0.00 175.10 175.58 3ifs s LEU 330 N 1.56 3.84 -0.23 3.92 1.43 0.42 -0.53 118.68 129.09 3ifs s LEU 330 Ca 0.08 0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 53.62 3ifs s LEU 330 Cb -0.15 -3.39 0.01 0.00 0.03 0.00 0.00 46.19 42.69 3ifs s LEU 330 CO 0.09 -1.08 -0.08 -0.75 0.23 0.00 0.00 176.35 174.77 3ifs s LYS 331 N 3.97 3.03 -0.10 1.70 2.47 -0.29 -4.17 119.74 126.36 3ifs s LYS 331 Ca 0.43 -0.84 -0.21 0.00 -1.56 0.00 0.00 55.97 53.79 3ifs s LYS 331 Cb -0.09 -2.93 -0.04 0.00 -1.46 0.00 0.00 37.83 33.31 3ifs s LYS 331 CO 0.26 -0.31 0.59 0.08 0.16 0.00 0.00 175.35 176.13 3ifs s VAL 332 N 1.37 5.11 0.01 4.02 1.01 -1.26 -0.69 120.40 129.98 3ifs s VAL 332 Ca 0.03 1.19 -0.22 0.00 0.00 0.00 0.00 61.98 62.98 3ifs s VAL 332 Cb -0.15 -3.93 -0.18 0.00 0.00 0.00 0.00 36.38 32.12 3ifs s VAL 332 CO -0.05 0.28 1.24 1.23 0.00 0.00 0.00 175.10 177.79 3ifs h GLY 333 N 6.85 0.32 -5.93 4.51 0.00 -0.43 -3.44 103.07 104.96 3ifs h GLY 333 Ca -0.40 -0.39 -0.67 0.00 0.00 0.00 0.00 47.33 45.87 3ifs h GLY 333 CO 0.76 0.35 -0.86 1.25 0.00 0.00 0.00 176.54 178.03 3ifs s LYS 334 N -3.92 3.00 0.42 4.80 2.47 -0.36 -5.02 119.74 121.13 3ifs s LYS 334 Ca -0.15 -0.84 -0.24 0.00 -1.56 0.00 0.00 55.97 53.18 3ifs s LYS 334 Cb 0.04 -2.52 -0.08 0.00 -1.46 0.00 0.00 37.83 33.81 3ifs s LYS 334 CO 0.75 -0.14 1.14 0.45 0.16 0.00 0.00 175.35 177.72 3ifs s SER 335 N 1.11 6.44 0.16 1.43 0.15 -1.26 -4.49 113.70 117.24 3ifs s SER 335 Ca 0.01 2.27 -0.15 0.00 0.70 0.00 0.00 55.95 58.78 3ifs s SER 335 Cb -0.14 -2.60 0.04 0.00 -1.71 0.00 0.00 66.02 61.61 3ifs s SER 335 CO -0.09 -0.73 1.81 0.74 1.20 0.00 0.00 173.24 176.18 3ifs h THR 336 N 2.13 1.14 -2.65 6.45 2.02 -1.99 -3.43 112.91 116.57 3ifs h THR 336 Ca -0.49 -0.28 -0.53 0.00 0.77 0.00 0.00 66.41 65.89 3ifs h THR 336 Cb 1.24 0.45 -0.15 0.00 -1.74 0.00 0.00 68.15 67.95 3ifs h THR 336 CO 0.62 0.13 -0.75 -1.00 0.37 0.00 0.00 175.52 174.89 3ifs s HIS 337 N -6.08 1.97 0.09 3.16 3.76 -1.26 -5.15 115.29 111.78 3ifs s HIS 337 Ca -0.13 -0.46 0.06 0.00 -0.15 0.00 0.00 55.06 54.38 3ifs s HIS 337 Cb 0.12 -0.89 -0.03 0.00 1.11 0.00 0.00 32.58 32.88 3ifs s HIS 337 CO 0.74 0.51 -0.16 -1.21 -0.85 0.00 0.00 174.74 173.77 3ifs s GLU 338 N -3.49 0.95 -0.01 1.40 0.41 -1.26 -4.96 118.70 111.74 3ifs s GLU 338 Ca 0.25 -1.09 0.00 0.00 -0.41 0.00 0.00 54.97 53.72 3ifs s GLU 338 Cb -0.03 -0.98 0.01 0.00 -1.78 0.00 0.00 34.13 31.35 3ifs s GLU 338 CO 0.10 0.21 0.00 -0.51 -0.49 0.00 0.00 175.26 174.58 3ifs s LEU 339 N -2.00 1.70 -0.16 1.80 1.43 -1.26 -5.05 118.68 115.14 3ifs s LEU 339 Ca 0.03 -0.00 -0.06 0.00 -1.03 0.00 0.00 54.13 53.07 3ifs s LEU 339 Cb -0.08 -0.06 -0.04 0.00 0.03 0.00 0.00 46.19 46.03 3ifs s LEU 339 CO 0.03 -0.03 0.06 -0.89 0.23 0.00 0.00 176.35 175.74 3ifs s THR 340 N 0.35 4.76 0.13 5.49 2.01 -1.26 -0.63 115.64 126.49 3ifs s THR 340 Ca -0.03 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.62 3ifs s THR 340 Cb -0.05 -3.11 -0.07 0.00 0.01 0.00 0.00 72.50 69.28 3ifs s THR 340 CO -0.01 0.50 1.09 -0.63 -0.69 0.00 0.00 174.62 174.89 3ifs s ILE 341 N 0.00 4.06 0.11 1.82 1.01 0.39 -4.94 121.20 123.66 3ifs s ILE 341 Ca 0.06 1.67 0.05 0.00 0.00 0.00 0.00 60.65 62.44 3ifs s ILE 341 Cb -0.12 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 3ifs s ILE 341 CO 0.01 0.24 -0.00 -1.61 0.00 0.00 0.00 174.94 173.58 3ifs s GLU 342 N 0.08 2.51 0.55 2.79 2.02 -1.26 -1.29 118.70 124.09 3ifs s GLU 342 Ca 0.51 -0.90 -0.13 0.00 0.02 0.00 0.00 54.97 54.47 3ifs s GLU 342 Cb -0.28 -2.50 -0.06 0.00 0.10 0.00 0.00 34.13 31.39 3ifs s GLU 342 CO 0.33 0.52 0.97 -1.54 0.02 0.00 0.00 175.26 175.56 3ifs s SER 343 N -2.45 6.44 0.14 -0.19 1.04 -1.26 -4.80 113.70 112.61 3ifs s SER 343 Ca 0.26 1.44 0.05 0.00 0.48 0.00 0.00 55.95 58.18 3ifs s SER 343 Cb -0.11 -2.46 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 3ifs s SER 343 CO 0.18 -0.68 -0.11 -1.83 0.98 0.00 0.00 173.24 171.78 3ifs s GLU 344 N -4.53 1.03 0.10 4.02 -1.05 -1.26 -5.08 118.70 111.92 3ifs s GLU 344 Ca 0.56 -1.37 -0.32 0.00 -0.15 0.00 0.00 54.97 53.69 3ifs s GLU 344 Cb -0.10 -0.68 -0.14 0.00 -0.44 0.00 0.00 34.13 32.77 3ifs s GLU 344 CO 0.41 0.10 1.52 0.93 0.95 0.00 0.00 175.26 179.17 3ifs h GLU 345 N 3.03 -0.68 -4.91 -4.83 5.08 -2.06 -3.37 114.58 106.84 3ifs h GLU 345 Ca -0.37 0.05 -0.69 0.00 -1.00 0.00 0.00 59.36 57.35 3ifs h GLU 345 Cb 1.19 0.16 -0.18 0.00 0.50 0.00 0.00 28.75 30.42 3ifs h GLU 345 CO 0.59 -0.46 -0.20 -0.80 -1.00 0.00 0.00 179.01 177.15 3ifs s ASN 346 N -4.50 6.20 -0.09 1.42 0.01 -1.26 -4.96 114.94 111.76 3ifs s ASN 346 Ca -0.15 -0.60 -0.05 0.00 -0.71 0.00 0.00 52.86 51.35 3ifs s ASN 346 Cb 0.06 -2.23 -0.15 0.00 0.41 0.00 0.00 41.25 39.33 3ifs s ASN 346 CO 0.57 -0.56 3.19 -0.67 -1.51 0.00 0.00 177.10 178.11 3ifs n ASP 347 N 5.61 5.52 -0.37 -1.22 2.03 -1.26 -4.63 116.55 122.24 3ifs n ASP 347 Ca -0.07 -2.62 0.01 0.00 0.52 0.00 0.00 54.79 52.63 3ifs n ASP 347 Cb 0.48 -1.33 0.15 0.00 -0.72 0.00 0.00 41.12 39.70 3ifs n ASP 347 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3ifs h LEU 348 N 4.44 1.05 0.00 -2.67 3.38 -1.94 -1.96 115.31 117.60 3ifs h LEU 348 Ca 0.20 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3ifs h LEU 348 Cb 1.28 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3ifs h LEU 348 CO 0.33 0.70 0.00 -0.90 0.09 0.00 0.00 178.44 178.66 3ifs n ASP 349 N -4.48 0.00 -1.03 -0.43 5.68 -1.26 -4.93 116.55 110.10 3ifs n ASP 349 Ca 0.14 0.13 -0.10 0.00 -0.50 0.00 0.00 54.79 54.46 3ifs n ASP 349 Cb 0.14 -0.37 -0.02 0.00 -1.14 0.00 0.00 41.12 39.73 3ifs n ASP 349 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ifs n GLY 350 N 1.12 0.45 0.78 6.12 0.00 -0.74 -4.94 105.19 107.98 3ifs n GLY 350 Ca 0.10 -0.49 0.10 0.00 0.00 0.00 0.00 46.02 45.73 3ifs n GLY 350 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ifs n LEU 351 N -1.37 2.63 0.22 0.99 4.77 -1.26 -4.51 117.00 118.46 3ifs n LEU 351 Ca -0.12 -0.99 0.17 0.00 -0.03 0.00 0.00 56.01 55.04 3ifs n LEU 351 Cb 0.49 0.00 0.84 0.00 -2.33 0.00 0.00 43.42 42.42 3ifs n LEU 351 CO 0.15 0.45 1.14 0.78 -1.33 0.00 0.00 177.39 178.59 3ifs h ASN 352 N 3.85 0.00 0.43 -1.43 2.35 -1.92 0.66 115.58 119.51 3ifs h ASN 352 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ifs h ASN 352 Cb 0.82 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.19 3ifs h ASN 352 CO 0.00 0.00 0.00 0.10 -1.65 0.00 0.00 177.43 175.88 3ifs h TYR 353 N 0.00 0.00 -0.02 1.19 -0.00 -2.00 -0.72 116.97 115.42 3ifs h TYR 353 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.80 3ifs h TYR 353 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.14 3ifs h TYR 353 CO 0.00 0.00 -0.02 1.28 -0.00 0.00 0.00 178.16 179.42 3ifs n LEU 354 N -2.77 1.69 -4.69 0.10 4.77 0.22 -4.95 117.00 111.38 3ifs n LEU 354 Ca -0.01 -0.56 -0.45 0.00 -0.03 0.00 0.00 56.01 54.97 3ifs n LEU 354 Cb 0.16 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 3ifs n LEU 354 CO 0.20 0.28 1.34 0.00 -1.33 0.00 0.00 177.39 177.88 3ifs n ALA 355 N 0.29 1.81 0.00 -1.18 0.00 -0.28 -1.44 120.51 119.71 3ifs n ALA 355 Ca 0.18 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3ifs n ALA 355 Cb 0.39 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.38 3ifs n ALA 355 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ifs n GLY 356 N 3.85 3.40 3.91 0.00 0.00 -0.41 -4.97 105.19 110.97 3ifs n GLY 356 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 3ifs n GLY 356 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ifs s GLU 357 N -0.82 2.84 0.28 1.61 0.41 -0.52 -4.80 118.70 117.71 3ifs s GLU 357 Ca 0.00 0.03 0.04 0.00 -0.41 0.00 0.00 54.97 54.63 3ifs s GLU 357 Cb 0.00 -2.23 -0.03 0.00 -1.78 0.00 0.00 34.13 30.09 3ifs s GLU 357 CO 0.00 -0.80 0.43 0.95 -0.49 0.00 0.00 175.26 175.35 3ifs s THR 358 N -3.06 5.04 0.33 3.63 -4.23 -1.26 -0.46 115.64 115.62 3ifs s THR 358 Ca 0.55 -0.85 0.03 0.00 -1.18 0.00 0.00 61.69 60.24 3ifs s THR 358 Cb -0.11 -3.79 0.17 0.00 1.34 0.00 0.00 72.50 70.11 3ifs s THR 358 CO 0.46 -0.36 1.88 0.58 -0.54 0.00 0.00 174.62 176.64 3ifs h VAL 359 N 1.01 1.19 -0.08 2.29 2.07 -1.23 -2.19 116.25 119.32 3ifs h VAL 359 Ca -0.51 -0.73 -0.10 0.00 0.82 0.00 0.00 66.70 66.18 3ifs h VAL 359 Cb 1.23 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 3ifs h VAL 359 CO 0.60 0.26 -0.42 -0.78 0.02 0.00 0.00 177.57 177.25 3ifs h ASP 360 N 0.58 0.18 -0.54 0.57 3.58 -1.93 -1.89 116.42 116.96 3ifs h ASP 360 Ca 0.13 -0.07 0.08 0.00 0.42 0.00 0.00 57.03 57.59 3ifs h ASP 360 Cb 0.28 -0.05 -0.06 0.00 1.72 0.00 0.00 39.33 41.22 3ifs h ASP 360 CO 0.00 0.58 0.19 0.15 -2.88 0.00 0.00 179.24 177.28 3ifs h PHE 361 N 0.14 0.33 -0.60 0.28 3.57 -1.78 0.55 116.94 119.43 3ifs h PHE 361 Ca 0.01 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3ifs h PHE 361 Cb 0.81 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 3ifs h PHE 361 CO 0.01 0.09 0.25 0.28 -2.23 0.00 0.00 178.31 176.71 3ifs h VAL 362 N 0.36 1.22 -0.83 1.41 2.07 -1.27 -1.13 116.25 118.08 3ifs h VAL 362 Ca 0.27 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 3ifs h VAL 362 Cb 0.31 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3ifs h VAL 362 CO -0.28 0.27 0.46 -1.13 0.02 0.00 0.00 177.57 176.92 3ifs h ASN 363 N 0.82 1.03 -0.42 0.57 -1.24 -0.62 -0.71 115.58 115.02 3ifs h ASN 363 Ca 0.20 -0.09 -0.04 0.00 0.71 0.00 0.00 56.30 57.08 3ifs h ASN 363 Cb 0.18 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.95 3ifs h ASN 363 CO -0.02 0.83 0.13 0.74 -1.29 0.00 0.00 177.43 177.82 3ifs h THR 364 N 1.16 1.22 -0.26 -3.57 2.02 -0.50 -1.57 112.91 111.41 3ifs h THR 364 Ca 0.29 -0.74 -0.07 0.00 0.77 0.00 0.00 66.41 66.66 3ifs h THR 364 Cb 0.02 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3ifs h THR 364 CO -0.05 0.26 -0.16 0.11 0.37 0.00 0.00 175.52 176.05 3ifs h LYS 365 N 0.54 0.45 -0.44 6.66 1.79 -0.88 -0.89 116.57 123.79 3ifs h LYS 365 Ca 0.14 -0.14 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 3ifs h LYS 365 Cb 0.27 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 3ifs h LYS 365 CO -0.00 0.60 0.12 0.00 -1.08 0.00 0.00 179.45 179.09 3ifs h ALA 366 N 1.42 0.58 -0.14 3.86 0.00 -0.90 -1.36 119.26 122.72 3ifs h ALA 366 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3ifs h ALA 366 Cb 0.53 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3ifs h ALA 366 CO 0.03 0.24 0.09 -0.92 0.00 0.00 0.00 179.25 178.69 3ifs h TYR 367 N 0.57 0.18 -0.13 0.00 5.03 -0.82 -1.00 116.97 120.80 3ifs h TYR 367 Ca 0.14 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.45 3ifs h TYR 367 Cb 0.29 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.51 3ifs h TYR 367 CO 0.02 0.14 0.06 0.93 -1.32 0.00 0.00 178.16 177.99 3ifs h GLU 368 N 0.17 0.19 -0.34 1.82 5.08 -1.10 -0.93 114.58 119.46 3ifs h GLU 368 Ca 0.05 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 3ifs h GLU 368 Cb 0.01 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3ifs h GLU 368 CO -0.01 0.24 -0.15 0.78 -1.00 0.00 0.00 179.01 178.87 3ifs h GLY 369 N 0.09 0.65 1.09 -3.84 0.00 -1.22 -2.39 103.07 97.45 3ifs h GLY 369 Ca 0.04 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 3ifs h GLY 369 CO -0.01 0.45 -0.24 -0.84 0.00 0.00 0.00 176.54 175.90 3ifs h THR 370 N 0.55 1.27 -0.60 4.70 2.02 -1.10 -0.00 112.91 119.75 3ifs h THR 370 Ca 0.09 -1.41 -0.06 0.00 0.77 0.00 0.00 66.41 65.80 3ifs h THR 370 Cb 0.57 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 3ifs h THR 370 CO 0.04 0.48 0.12 0.25 0.37 0.00 0.00 175.52 176.78 3ifs h LEU 371 N 0.78 0.93 -0.41 2.58 6.46 -0.94 0.25 115.31 124.95 3ifs h LEU 371 Ca 0.09 -0.25 -0.17 0.00 -0.12 0.00 0.00 57.88 57.44 3ifs h LEU 371 Cb 0.82 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.51 3ifs h LEU 371 CO 0.07 0.94 -0.51 -0.07 -0.62 0.00 0.00 178.44 178.24 3ifs h LEU 372 N 0.88 0.83 -0.09 2.25 3.38 -1.37 -1.78 115.31 119.41 3ifs h LEU 372 Ca 0.18 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3ifs h LEU 372 Cb 0.39 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3ifs h LEU 372 CO 0.01 1.19 0.03 0.00 0.09 0.00 0.00 178.44 179.76 3ifs h ALA 373 N 0.83 0.12 -0.75 1.53 0.00 -0.65 -1.22 119.26 119.11 3ifs h ALA 373 Ca 0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3ifs h ALA 373 Cb 1.09 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3ifs h ALA 373 CO 0.11 -0.28 0.33 0.45 0.00 0.00 0.00 179.25 179.86 3ifs h HIS 374 N -0.03 1.11 -0.39 0.00 3.86 -0.51 -1.58 115.15 117.61 3ifs h HIS 374 Ca 0.03 -0.07 0.02 0.00 -1.16 0.00 0.00 60.37 59.20 3ifs h HIS 374 Cb 0.20 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 3ifs h HIS 374 CO -0.01 0.83 0.20 0.77 0.86 0.00 0.00 177.93 180.58 3ifs h SER 375 N 1.06 0.31 0.32 2.45 0.02 -1.22 -1.33 113.55 115.15 3ifs h SER 375 Ca 0.25 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 3ifs h SER 375 Cb 0.16 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 3ifs h SER 375 CO -0.03 0.23 -0.11 0.44 -1.14 0.00 0.00 176.83 176.22 3ifs h ASP 376 N 0.42 0.00 -0.10 3.07 3.32 -0.80 -1.32 116.42 121.01 3ifs h ASP 376 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3ifs h ASP 376 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3ifs h ASP 376 CO -0.10 0.11 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 3ifs n GLY 377 N -0.77 -0.11 0.10 2.75 0.00 -0.60 -4.91 105.19 101.65 3ifs n GLY 377 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3ifs n GLY 377 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ifs n GLY 378 N 1.06 0.97 3.23 -0.02 0.00 -0.50 -4.86 105.19 105.08 3ifs n GLY 378 Ca 0.17 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3ifs n GLY 378 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ifs s VAL 379 N -2.00 3.43 0.25 1.61 1.01 -0.61 -4.92 120.40 119.17 3ifs s VAL 379 Ca 0.00 -1.21 -0.31 0.00 0.00 0.00 0.00 61.98 60.46 3ifs s VAL 379 Cb 0.00 -2.94 -0.11 0.00 0.00 0.00 0.00 36.38 33.33 3ifs s VAL 379 CO 0.00 -0.12 1.61 -2.84 0.00 0.00 0.00 175.10 173.75 3ifs s PRO 380 N 1.34 4.15 -0.16 2.72 0.02 -1.26 -3.48 135.00 138.33 3ifs s PRO 380 Ca -0.03 2.53 -0.00 0.00 0.02 0.00 0.00 61.00 63.53 3ifs s PRO 380 Cb -0.19 -3.06 -0.00 0.00 0.02 0.00 0.00 34.50 31.26 3ifs s PRO 380 CO 0.01 -0.65 -0.15 -0.80 -0.33 0.00 0.00 177.00 175.09 3ifs s ASN 381 N 0.76 3.70 0.11 2.53 0.01 -1.26 -0.93 114.94 119.86 3ifs s ASN 381 Ca 0.67 -0.46 0.06 0.00 -0.71 0.00 0.00 52.86 52.42 3ifs s ASN 381 Cb -0.47 -1.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.57 3ifs s ASN 381 CO 0.41 0.08 -0.05 -0.76 -1.51 0.00 0.00 177.10 175.26 3ifs s LEU 382 N 0.85 3.22 -0.04 0.60 1.43 0.31 -3.89 118.68 121.15 3ifs s LEU 382 Ca -0.04 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 3ifs s LEU 382 Cb -0.15 -1.97 -0.00 0.00 0.03 0.00 0.00 46.19 44.10 3ifs s LEU 382 CO -0.01 0.16 -0.16 -0.63 0.23 0.00 0.00 176.35 175.94 3ifs s ILE 383 N -1.34 1.36 -0.29 -0.59 1.01 -0.46 -0.15 121.20 120.75 3ifs s ILE 383 Ca 0.24 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 60.23 3ifs s ILE 383 Cb -0.11 -1.17 0.07 0.00 0.01 0.00 0.00 42.46 41.25 3ifs s ILE 383 CO 0.16 0.39 -0.04 -0.69 0.00 0.00 0.00 174.94 174.77 3ifs s VAL 384 N 0.07 2.46 -0.26 2.92 1.01 0.30 -1.10 120.40 125.80 3ifs s VAL 384 Ca -0.04 -1.73 -0.25 0.00 0.00 0.00 0.00 61.98 59.96 3ifs s VAL 384 Cb -0.11 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.75 3ifs s VAL 384 CO 0.02 -0.19 0.87 0.20 0.00 0.00 0.00 175.10 176.01 3ifs s ASN 385 N 1.14 6.85 -0.31 3.32 0.01 0.13 -1.14 114.94 124.94 3ifs s ASN 385 Ca -0.04 1.02 -0.04 0.00 -0.71 0.00 0.00 52.86 53.09 3ifs s ASN 385 Cb -0.20 -2.46 0.04 0.00 0.41 0.00 0.00 41.25 39.05 3ifs s ASN 385 CO -0.05 -0.59 0.05 -0.63 -1.51 0.00 0.00 177.10 174.37 3ifs s ILE 386 N 2.99 3.41 0.16 0.60 1.01 0.13 -2.19 121.20 127.31 3ifs s ILE 386 Ca 0.37 -1.20 -0.20 0.00 0.00 0.00 0.00 60.65 59.61 3ifs s ILE 386 Cb -0.15 -2.92 0.08 0.00 0.01 0.00 0.00 42.46 39.48 3ifs s ILE 386 CO 0.09 -0.11 1.63 -0.65 0.00 0.00 0.00 174.94 175.90 3ifs h PRO 387 N 8.11 -0.16 -2.88 2.79 0.11 -1.83 0.19 132.00 138.34 3ifs h PRO 387 Ca -0.23 0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.97 3ifs h PRO 387 Cb 1.08 0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 3ifs h PRO 387 CO 0.57 -0.10 0.28 -1.83 -0.21 0.00 0.00 178.00 176.70 3ifs s GLU 388 N -6.12 1.65 -0.62 1.05 -1.05 -1.26 -1.22 118.70 111.13 3ifs s GLU 388 Ca -0.14 -0.90 -0.16 0.00 -0.15 0.00 0.00 54.97 53.61 3ifs s GLU 388 Cb 0.14 0.57 0.14 0.00 -0.44 0.00 0.00 34.13 34.54 3ifs s GLU 388 CO 0.69 -0.76 0.62 -0.51 0.95 0.00 0.00 175.26 176.25 3ifs s LEU 389 N -2.91 6.12 0.25 1.83 1.43 -1.26 -4.75 118.68 119.39 3ifs s LEU 389 Ca 0.11 -1.92 -0.03 0.00 -1.03 0.00 0.00 54.13 51.26 3ifs s LEU 389 Cb -0.05 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.91 3ifs s LEU 389 CO 0.05 -0.86 0.29 0.54 0.23 0.00 0.00 176.35 176.61 3ifs s ASN 390 N 3.31 0.43 0.21 2.29 2.20 -1.26 -4.92 114.94 117.19 3ifs s ASN 390 Ca 0.09 -1.34 -0.10 0.00 -0.94 0.00 0.00 52.86 50.56 3ifs s ASN 390 Cb -0.24 0.50 0.16 0.00 -2.00 0.00 0.00 41.25 39.67 3ifs s ASN 390 CO 0.01 -1.02 1.87 -0.33 -2.94 0.00 0.00 177.10 174.69 3ifs h GLU 391 N 2.38 1.01 -0.43 3.55 3.07 -1.93 -1.12 114.58 121.11 3ifs h GLU 391 Ca -0.31 -0.07 0.01 0.00 -0.50 0.00 0.00 59.36 58.49 3ifs h GLU 391 Cb 1.25 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.91 3ifs h GLU 391 CO 0.44 0.68 0.28 -0.92 -1.40 0.00 0.00 179.01 178.10 3ifs h TYR 392 N 1.03 0.54 -0.35 4.33 5.03 -1.89 -1.98 116.97 123.69 3ifs h TYR 392 Ca 0.28 0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.49 3ifs h TYR 392 Cb -0.09 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 37.99 3ifs h TYR 392 CO -0.02 0.34 -0.22 1.15 -1.32 0.00 0.00 178.16 178.09 3ifs h THR 393 N 0.58 1.27 -0.16 1.81 2.02 -1.78 -2.37 112.91 114.28 3ifs h THR 393 Ca 0.16 -1.30 0.00 0.00 0.77 0.00 0.00 66.41 66.04 3ifs h THR 393 Cb -0.06 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 3ifs h THR 393 CO -0.04 0.43 0.11 0.15 0.37 0.00 0.00 175.52 176.54 3ifs h PHE 394 N 0.60 0.21 -0.77 3.16 3.04 -0.88 0.68 116.94 122.97 3ifs h PHE 394 Ca 0.09 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.04 3ifs h PHE 394 Cb 0.70 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 39.10 3ifs h PHE 394 CO 0.03 0.13 0.50 0.78 -2.02 0.00 0.00 178.31 177.73 3ifs h GLY 395 N 0.22 1.10 0.94 2.40 0.00 -1.20 0.41 103.07 106.95 3ifs h GLY 395 Ca 0.06 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 3ifs h GLY 395 CO -0.01 0.42 0.06 -1.82 0.00 0.00 0.00 176.54 175.19 3ifs h TYR 396 N 1.05 0.72 -0.47 5.60 5.03 -1.15 -2.24 116.97 125.51 3ifs h TYR 396 Ca 0.28 -0.10 -0.12 0.00 2.58 0.00 0.00 58.73 61.37 3ifs h TYR 396 Cb -0.09 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 37.98 3ifs h TYR 396 CO -0.01 0.70 -0.19 1.25 -1.32 0.00 0.00 178.16 178.59 3ifs h LEU 397 N 0.52 0.94 -0.57 2.82 5.85 -0.59 -1.02 115.31 123.27 3ifs h LEU 397 Ca 0.12 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 3ifs h LEU 397 Cb 0.37 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3ifs h LEU 397 CO 0.01 1.11 0.35 0.58 -0.34 0.00 0.00 178.44 180.15 3ifs h VAL 398 N 0.81 1.16 -0.35 1.05 2.07 -0.84 -2.14 116.25 118.02 3ifs h VAL 398 Ca 0.11 -0.35 -0.14 0.00 0.82 0.00 0.00 66.70 67.14 3ifs h VAL 398 Cb 0.75 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3ifs h VAL 398 CO 0.06 0.17 -0.35 0.22 0.02 0.00 0.00 177.57 177.69 3ifs h TYR 399 N 0.77 0.94 -0.13 1.57 5.03 -1.21 -1.11 116.97 122.84 3ifs h TYR 399 Ca 0.21 -0.26 0.05 0.00 2.58 0.00 0.00 58.73 61.30 3ifs h TYR 399 Cb -0.04 -0.21 -0.06 0.00 1.55 0.00 0.00 36.73 37.98 3ifs h TYR 399 CO -0.03 1.03 -0.23 0.35 -1.32 0.00 0.00 178.16 177.96 3ifs h PHE 400 N 0.66 -0.62 -0.42 -3.82 3.57 -0.96 -1.25 116.94 114.11 3ifs h PHE 400 Ca 0.06 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.47 3ifs h PHE 400 Cb 0.90 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 3ifs h PHE 400 CO 0.05 -0.32 -0.24 0.74 -2.23 0.00 0.00 178.31 176.32 3ifs h PHE 401 N -0.30 0.99 -0.20 0.41 0.04 -1.23 -1.74 116.94 114.92 3ifs h PHE 401 Ca 0.10 -0.24 0.01 0.00 2.80 0.00 0.00 57.97 60.64 3ifs h PHE 401 Cb 0.45 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 3ifs h PHE 401 CO -0.34 1.01 0.11 0.93 -0.60 0.00 0.00 178.31 179.42 3ifs h GLU 402 N 0.75 0.22 -0.51 1.51 5.08 -0.93 0.83 114.58 121.52 3ifs h GLU 402 Ca 0.10 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 3ifs h GLU 402 Cb 0.78 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 3ifs h GLU 402 CO 0.06 0.15 -0.14 -0.22 -1.00 0.00 0.00 179.01 177.86 3ifs h LYS 403 N 0.23 1.00 -0.68 2.33 1.63 -1.21 -1.97 116.57 117.90 3ifs h LYS 403 Ca 0.08 -0.39 -0.01 0.00 -0.85 0.00 0.00 60.65 59.48 3ifs h LYS 403 Cb 0.01 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.55 3ifs h LYS 403 CO -0.05 1.07 0.39 0.00 -3.45 0.00 0.00 179.45 177.41 3ifs h ALA 404 N 0.90 0.87 -0.66 5.00 0.00 -1.16 -2.76 119.26 121.45 3ifs h ALA 404 Ca 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3ifs h ALA 404 Cb 0.71 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3ifs h ALA 404 CO 0.05 0.37 0.35 0.00 0.00 0.00 0.00 179.25 180.03 3ifs n ALA 406 N -2.34 1.08 0.00 0.00 0.00 -0.77 -1.30 120.51 117.18 3ifs n ALA 406 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3ifs n ALA 406 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3ifs n ALA 406 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ifs n SER 408 N 0.45 0.00 -0.18 0.00 2.88 0.33 -2.09 113.62 115.00 3ifs n SER 408 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 3ifs n SER 408 Cb 0.01 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.48 3ifs n SER 408 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3ifs h GLY 409 N 0.00 0.87 1.21 0.46 0.00 -1.45 -0.57 103.07 103.59 3ifs h GLY 409 Ca 0.00 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.72 3ifs h GLY 409 CO 0.00 0.48 -0.03 -0.97 0.00 0.00 0.00 176.54 176.02 3ifs h TYR 410 N 0.71 1.02 -0.37 5.60 0.05 -1.62 -1.52 116.97 120.84 3ifs h TYR 410 Ca 0.17 -0.17 -0.05 0.00 0.05 0.00 0.00 58.73 58.72 3ifs h TYR 410 Cb 0.27 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 3ifs h TYR 410 CO 0.02 0.93 0.01 -0.07 -1.05 0.00 0.00 178.16 178.00 3ifs h LEU 411 N 0.86 0.55 -1.16 3.88 3.38 -1.74 -2.22 115.31 118.86 3ifs h LEU 411 Ca 0.15 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3ifs h LEU 411 Cb 0.54 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3ifs h LEU 411 CO 0.03 0.61 -0.31 0.25 0.09 0.00 0.00 178.44 179.11 3ifs h LEU 412 N 0.56 0.19 0.00 1.67 5.85 -0.70 -3.47 115.31 119.40 3ifs h LEU 412 Ca 0.12 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3ifs h LEU 412 Cb 0.34 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3ifs h LEU 412 CO 0.01 0.50 0.00 0.61 -0.34 0.00 0.00 178.44 179.22 3ifs n GLY 413 N -0.47 1.84 3.75 3.75 0.00 -0.62 -5.10 105.19 108.34 3ifs n GLY 413 Ca -0.01 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 3ifs n GLY 413 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ifs s VAL 414 N -2.00 1.50 -0.45 1.61 -7.23 -0.92 -5.04 120.40 107.87 3ifs s VAL 414 Ca 0.00 -1.91 -0.22 0.00 -1.81 0.00 0.00 61.98 58.05 3ifs s VAL 414 Cb 0.00 -2.41 0.03 0.00 0.56 0.00 0.00 36.38 34.56 3ifs s VAL 414 CO 0.00 0.00 0.70 0.21 -0.31 0.00 0.00 175.10 175.70 3ifs s ASN 415 N -3.90 6.34 0.08 4.85 3.84 -1.26 -4.38 114.94 120.52 3ifs s ASN 415 Ca 0.19 -0.31 0.22 0.00 0.21 0.00 0.00 52.86 53.16 3ifs s ASN 415 Cb 0.03 -2.34 0.88 0.00 -0.55 0.00 0.00 41.25 39.27 3ifs s ASN 415 CO 0.10 -0.86 1.68 -2.65 -2.79 0.00 0.00 177.10 172.58 3ifs n PRO 416 N 6.47 0.08 -0.08 0.43 -0.02 -1.26 -3.98 135.00 136.63 3ifs n PRO 416 Ca -0.01 0.22 0.05 0.00 -2.02 0.00 0.00 63.50 61.74 3ifs n PRO 416 Cb 0.48 -1.62 0.09 0.00 -0.02 0.00 0.00 33.50 32.43 3ifs n PRO 416 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3ifs n PHE 417 N -1.76 0.22 -3.83 6.00 3.72 -1.26 -4.34 117.46 116.21 3ifs n PHE 417 Ca 0.04 -0.28 -0.25 0.00 -0.05 0.00 0.00 57.45 56.91 3ifs n PHE 417 Cb 0.26 -0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 38.78 3ifs n PHE 417 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 3ifs s ASP 418 N -0.91 4.67 -0.45 4.37 -4.77 -1.26 -4.94 116.67 113.39 3ifs s ASP 418 Ca 0.16 -1.19 0.07 0.00 -3.30 0.00 0.00 52.55 48.29 3ifs s ASP 418 Cb 0.09 0.31 0.31 0.00 -1.09 0.00 0.00 42.92 42.54 3ifs s ASP 418 CO 0.13 -1.07 1.01 0.00 0.70 0.00 0.00 175.17 175.94 3ifs n GLN 419 N -1.75 0.97 0.26 2.11 0.00 -1.26 -4.75 117.38 112.95 3ifs n GLN 419 Ca -0.00 -2.15 0.12 0.00 0.00 0.00 0.00 57.00 54.97 3ifs n GLN 419 Cb 0.64 -1.20 0.72 0.00 0.00 0.00 0.00 30.24 30.40 3ifs n GLN 419 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 3ifs h PRO 420 N 3.18 0.00 0.00 2.61 0.13 -1.97 -3.07 132.00 132.88 3ifs h PRO 420 Ca -0.07 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.03 3ifs h PRO 420 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 3ifs h PRO 420 CO 0.22 0.11 -0.14 0.78 -0.23 0.00 0.00 178.00 178.74 3ifs h GLY 421 N 0.67 0.00 2.00 1.56 0.00 -1.94 -2.98 103.07 102.37 3ifs h GLY 421 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ifs h GLY 421 CO 0.01 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.88 3ifs n VAL 422 N -3.76 0.79 -0.03 4.60 0.24 -1.16 -3.38 118.33 115.63 3ifs n VAL 422 Ca -0.02 0.15 -0.07 0.00 -2.04 0.00 0.00 64.34 62.36 3ifs n VAL 422 Cb 0.25 -1.02 0.10 0.00 -1.47 0.00 0.00 33.84 31.70 3ifs n VAL 422 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3ifs h GLU 423 N 0.00 0.63 0.20 7.34 4.39 -1.75 -3.24 114.58 122.14 3ifs h GLU 423 Ca 0.00 -0.30 0.01 0.00 0.34 0.00 0.00 59.36 59.41 3ifs h GLU 423 Cb 0.40 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 3ifs h GLU 423 CO 0.00 0.89 -0.34 0.00 -1.16 0.00 0.00 179.01 178.40 3ifs h ALA 424 N 1.08 -0.63 -0.57 3.43 0.00 -1.78 -1.28 119.26 119.52 3ifs h ALA 424 Ca 0.06 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3ifs h ALA 424 Cb 0.85 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 3ifs h ALA 424 CO 0.07 -0.91 0.08 0.10 0.00 0.00 0.00 179.25 178.60 3ifs h TYR 425 N -0.61 0.97 0.09 0.00 -0.00 -1.80 -2.73 116.97 112.89 3ifs h TYR 425 Ca 0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 58.73 58.62 3ifs h TYR 425 Cb 0.61 -0.27 0.00 0.00 0.00 0.00 0.00 36.73 37.07 3ifs h TYR 425 CO -0.27 0.84 -0.04 0.87 -0.00 0.00 0.00 178.16 179.56 3ifs h LYS 426 N 0.87 -0.12 -0.59 0.10 1.57 -1.52 -2.79 116.57 114.09 3ifs h LYS 426 Ca 0.18 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.02 3ifs h LYS 426 Cb 0.40 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 3ifs h LYS 426 CO 0.01 -0.07 0.31 -0.22 -0.57 0.00 0.00 179.45 178.90 3ifs h LYS 427 N -0.13 0.56 -1.13 3.15 3.64 -1.21 0.15 116.57 121.60 3ifs h LYS 427 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3ifs h LYS 427 Cb 0.10 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3ifs h LYS 427 CO 0.02 0.37 0.00 0.09 -2.27 0.00 0.00 179.45 177.66 3ifs n ASN 428 N -4.85 0.54 0.00 4.20 3.02 -1.03 -1.76 115.26 115.38 3ifs n ASN 428 Ca 0.07 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.12 3ifs n ASN 428 Cb 0.17 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 3ifs n ASN 428 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3ifs n PHE 430 N 0.67 0.00 0.17 3.10 3.72 0.53 -1.48 117.46 124.17 3ifs n PHE 430 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 3ifs n PHE 430 Cb 0.10 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.57 3ifs n PHE 430 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ifs h ALA 431 N 0.00 -0.46 0.00 4.37 0.00 -1.59 -1.55 119.26 120.03 3ifs h ALA 431 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3ifs h ALA 431 Cb 0.00 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ifs h ALA 431 CO 0.00 -0.79 -0.10 -0.07 0.00 0.00 0.00 179.25 178.29 3ifs h LEU 432 N -0.48 0.00 -0.49 0.00 3.38 -1.53 -0.77 115.31 115.41 3ifs h LEU 432 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ifs h LEU 432 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3ifs h LEU 432 CO -0.03 0.10 0.00 -0.07 0.09 0.00 0.00 178.44 178.52 3ifs h LEU 433 N 0.00 0.00 0.00 1.67 3.38 -1.73 -3.47 115.31 115.16 3ifs h LEU 433 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ifs h LEU 433 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3ifs h LEU 433 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 3ifs n GLY 434 N 0.50 0.81 3.73 0.83 0.00 -0.29 -5.03 105.19 105.74 3ifs n GLY 434 Ca 0.03 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 3ifs n GLY 434 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ifs s LYS 435 N -1.44 4.16 0.31 1.61 2.20 -0.61 -4.89 119.74 121.07 3ifs s LYS 435 Ca 0.00 2.52 -0.29 0.00 -0.36 0.00 0.00 55.97 57.84 3ifs s LYS 435 Cb 0.00 -3.08 -0.13 0.00 -1.51 0.00 0.00 37.83 33.12 3ifs s LYS 435 CO 0.00 -0.65 1.33 -2.30 -0.36 0.00 0.00 175.35 173.37 3ifs n PRO 436 N 3.21 2.12 0.00 4.03 -0.02 -1.26 -2.41 135.00 140.67 3ifs n PRO 436 Ca 0.12 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 3ifs n PRO 436 Cb 0.37 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3ifs n PRO 436 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ifs n GLY 437 N 1.17 1.90 1.33 -1.23 0.00 -1.26 -4.92 105.19 102.18 3ifs n GLY 437 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 3ifs n GLY 437 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ifs n PHE 438 N -2.00 1.36 -0.28 1.61 3.01 -1.01 -4.71 117.46 115.44 3ifs n PHE 438 Ca 0.00 -0.74 -0.05 0.00 1.01 0.00 0.00 57.45 57.68 3ifs n PHE 438 Cb 0.00 -0.33 0.06 0.00 -0.01 0.00 0.00 39.48 39.20 3ifs n PHE 438 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 3ifs h GLU 439 N 3.00 1.03 -0.10 -1.08 4.57 -1.90 -0.65 114.58 119.44 3ifs h GLU 439 Ca 0.00 -0.09 0.03 0.00 -1.18 0.00 0.00 59.36 58.12 3ifs h GLU 439 Cb 1.54 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 29.88 3ifs h GLU 439 CO 0.29 0.72 -0.10 1.49 -1.18 0.00 0.00 179.01 180.23 3ifs h GLU 440 N 1.04 -0.12 -0.74 1.92 4.81 -1.99 -0.59 114.58 118.92 3ifs h GLU 440 Ca 0.27 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.47 3ifs h GLU 440 Cb -0.05 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3ifs h GLU 440 CO -0.05 -0.08 0.31 1.25 -0.73 0.00 0.00 179.01 179.71 3ifs h LEU 441 N -0.12 1.00 -0.33 1.64 5.85 -1.86 -2.28 115.31 119.20 3ifs h LEU 441 Ca 0.07 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.68 3ifs h LEU 441 Cb 0.23 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3ifs h LEU 441 CO -0.18 0.89 0.09 0.50 -0.34 0.00 0.00 178.44 179.39 3ifs h LYS 442 N 1.05 0.21 -0.82 1.25 3.64 -0.54 0.60 116.57 121.96 3ifs h LYS 442 Ca 0.25 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 3ifs h LYS 442 Cb 0.19 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 3ifs h LYS 442 CO -0.02 0.14 0.45 0.00 -2.27 0.00 0.00 179.45 177.74 3ifs h ALA 443 N 1.23 1.05 -0.49 5.00 0.00 -0.87 -0.15 119.26 125.04 3ifs h ALA 443 Ca 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ifs h ALA 443 Cb 0.15 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3ifs h ALA 443 CO -0.19 0.56 0.19 1.49 0.00 0.00 0.00 179.25 181.31 3ifs h GLU 444 N 1.14 0.74 -0.31 0.00 4.81 -0.81 -2.62 114.58 117.53 3ifs h GLU 444 Ca 0.29 -0.14 -0.18 0.00 -0.13 0.00 0.00 59.36 59.20 3ifs h GLU 444 Cb 0.04 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 3ifs h GLU 444 CO -0.05 0.67 -0.51 -0.07 -0.73 0.00 0.00 179.01 178.32 3ifs h LEU 445 N 0.65 0.97 -1.32 1.64 3.38 -0.63 -3.08 115.31 116.92 3ifs h LEU 445 Ca 0.16 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 3ifs h LEU 445 Cb 0.21 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3ifs h LEU 445 CO -0.01 1.30 0.22 -0.33 0.09 0.00 0.00 178.44 179.71 3ifs h GLU 446 N 0.69 0.68 -0.90 1.13 5.08 -0.97 -1.67 114.58 118.62 3ifs h GLU 446 Ca 0.02 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3ifs h GLU 446 Cb 1.12 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 3ifs h GLU 446 CO 0.12 0.54 0.55 1.49 -1.00 0.00 0.00 179.01 180.71 3ifs h GLU 447 N 0.68 1.22 0.00 2.33 4.57 -1.43 -1.88 114.58 120.07 3ifs h GLU 447 Ca 0.17 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 3ifs h GLU 447 Cb 0.10 -0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 28.43 3ifs h GLU 447 CO -0.02 0.85 -0.06 0.00 -1.18 0.00 0.00 179.01 178.60 3ifs h ARG 448 N 1.24 0.00 0.00 1.92 3.08 -1.24 -3.04 114.38 116.34 3ifs h ARG 448 Ca 0.32 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 3ifs h ARG 448 Cb -0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 3ifs h ARG 448 CO -0.06 0.06 -0.27 -0.07 -1.07 0.00 0.00 179.97 178.56 3ifs h LEU 449 N 0.00 0.00 0.00 3.04 3.38 -0.74 -3.52 115.31 117.48 3ifs h LEU 449 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ifs h LEU 449 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3ifs h LEU 449 CO 0.01 0.04 0.00 0.29 0.09 0.00 0.00 178.44 178.87