#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifs s HIS 4 N 0.00 2.71 0.19 1.09 4.02 -1.26 -4.75 115.29 117.30 3ifs s HIS 4 Ca 0.00 1.46 -0.30 0.00 1.02 0.00 0.00 55.06 57.24 3ifs s HIS 4 Cb 0.00 -3.56 -0.08 0.00 -1.02 0.00 0.00 32.58 27.92 3ifs s HIS 4 CO 0.00 -2.01 0.99 0.08 1.02 0.00 0.00 174.74 174.82 3ifs s VAL 5 N -1.41 4.11 0.17 -0.90 1.01 -1.26 -4.56 120.40 117.56 3ifs s VAL 5 Ca 0.64 1.95 0.06 0.00 0.00 0.00 0.00 61.98 64.63 3ifs s VAL 5 Cb -0.34 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 3ifs s VAL 5 CO 0.42 0.39 -0.14 0.42 0.00 0.00 0.00 175.10 176.20 3ifs s THR 6 N -0.67 1.50 -0.14 3.92 -4.23 -0.82 -4.97 115.64 110.23 3ifs s THR 6 Ca 0.44 -2.03 0.02 0.00 -1.18 0.00 0.00 61.69 58.94 3ifs s THR 6 Cb -0.26 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 71.73 3ifs s THR 6 CO 0.33 -0.57 -0.18 0.12 -0.54 0.00 0.00 174.62 173.77 3ifs s PHE 7 N -2.79 2.71 -0.17 3.99 5.36 -1.26 -0.32 117.98 125.51 3ifs s PHE 7 Ca 0.17 -1.10 0.00 0.00 -0.96 0.00 0.00 56.93 55.05 3ifs s PHE 7 Cb -0.01 -1.83 0.04 0.00 -0.34 0.00 0.00 43.02 40.87 3ifs s PHE 7 CO 0.04 -0.48 -0.09 0.34 -1.46 0.00 0.00 175.22 173.58 3ifs s ASP 8 N 0.69 2.88 -0.03 6.13 2.15 0.09 -4.97 116.67 123.62 3ifs s ASP 8 Ca -0.09 -0.65 0.12 0.00 0.43 0.00 0.00 52.55 52.36 3ifs s ASP 8 Cb -0.16 -1.04 0.35 0.00 -0.30 0.00 0.00 42.92 41.77 3ifs s ASP 8 CO 0.01 -0.14 1.29 0.00 -0.17 0.00 0.00 175.17 176.16 3ifs n TYR 9 N 4.81 0.56 0.23 -5.34 0.18 -1.26 -1.12 117.16 115.22 3ifs n TYR 9 Ca -0.14 -0.56 0.07 0.00 1.88 0.00 0.00 57.90 59.15 3ifs n TYR 9 Cb 0.48 -0.08 0.54 0.00 -0.38 0.00 0.00 39.34 39.91 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 2.05 0.00 0.47 9.48 4.64 -1.93 -1.25 113.55 127.00 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 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3ifs h SER 10 CO 0.04 0.18 0.00 0.29 -0.87 0.00 0.00 176.83 176.47 3ifs n LYS 11 N -4.16 0.46 -0.21 4.77 4.76 -1.26 -2.82 118.16 119.71 3ifs n LYS 11 Ca -0.02 0.02 0.08 0.00 -2.87 0.00 0.00 58.31 55.51 3ifs n LYS 11 Cb 0.25 -1.50 0.19 0.00 -1.84 0.00 0.00 35.03 32.13 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 -1.25 2.28 0.24 7.82 0.00 -0.48 -4.64 120.51 124.48 3ifs n ALA 12 Ca 0.14 -1.11 0.15 0.00 0.00 0.00 0.00 53.44 52.63 3ifs n ALA 12 Cb 0.21 -0.59 0.80 0.00 0.00 0.00 0.00 19.45 19.87 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 2.85 0.00 -0.06 0.00 3.38 -1.54 0.61 115.31 120.55 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 -1.54 0.09 0.00 0.00 178.44 176.99 3ifs n SER 14 N -2.55 0.79 -0.07 -0.43 3.41 -1.26 -3.75 113.62 109.75 3ifs n SER 14 Ca -0.02 0.58 -0.06 0.00 -0.26 0.00 0.00 58.87 59.11 3ifs n SER 14 Cb 0.06 -0.79 -0.12 0.00 -0.26 0.00 0.00 64.21 63.10 3ifs n SER 14 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3ifs n PHE 15 N -2.25 0.00 -3.90 7.33 3.01 0.11 -4.98 117.46 116.78 3ifs n PHE 15 Ca 0.05 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.30 3ifs n PHE 15 Cb 0.41 -0.72 -0.17 0.00 -0.01 0.00 0.00 39.48 38.99 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 -2.41 0.40 0.52 4.37 2.07 -0.61 -5.07 121.20 120.47 3ifs s ILE 16 Ca -0.07 0.05 -0.16 0.00 -1.41 0.00 0.00 60.65 59.05 3ifs s ILE 16 Cb 0.05 -0.51 -0.08 0.00 0.13 0.00 0.00 42.46 42.05 3ifs s ILE 16 CO 0.62 0.24 0.98 -0.83 -1.91 0.00 0.00 174.94 174.04 3ifs s GLY 17 N 1.54 2.04 0.41 1.50 0.00 -1.26 -4.31 107.32 107.24 3ifs s GLY 17 Ca -0.02 0.16 0.07 0.00 0.00 0.00 0.00 44.72 44.93 3ifs s GLY 17 CO -0.03 0.43 2.05 0.83 0.00 0.00 0.00 173.10 176.38 3ifs h GLU 18 N 0.85 0.54 0.00 2.90 4.39 -2.00 -1.43 114.58 119.83 3ifs h GLU 18 Ca -0.47 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.19 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 0.00 179.01 179.90 3ifs h HIS 19 N 0.56 0.00 0.00 4.33 2.07 -1.98 -0.82 115.15 119.30 3ifs h HIS 19 Ca 0.16 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.66 3ifs h HIS 19 Cb -0.02 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.96 3ifs h HIS 19 CO -0.00 0.04 -0.13 0.93 -3.07 0.00 0.00 177.93 175.70 3ifs h GLU 20 N 0.00 0.00 0.00 5.12 5.08 -1.64 -0.48 114.58 122.66 3ifs h GLU 20 Ca -0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3ifs h GLU 20 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3ifs h GLU 20 CO 0.01 0.13 -0.45 0.82 -1.00 0.00 0.00 179.01 178.51 3ifs h ILE 21 N 0.00 1.19 -0.88 3.13 2.04 -1.28 -3.37 117.51 118.34 3ifs h ILE 21 Ca -0.00 -2.06 0.22 0.00 1.00 0.00 0.00 64.86 64.02 3ifs h ILE 21 Cb 0.29 2.41 -0.13 0.00 -0.74 0.00 0.00 36.82 38.65 3ifs h ILE 21 CO 0.02 0.40 0.34 0.74 0.00 0.00 0.00 178.15 179.65 3ifs h THR 22 N -1.00 0.43 0.00 -0.27 2.02 -1.19 0.96 112.91 113.86 3ifs h THR 22 Ca -0.12 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3ifs h THR 22 Cb 0.96 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3ifs h THR 22 CO -0.07 0.06 0.00 1.88 0.37 0.00 0.00 175.52 177.76 3ifs h TYR 23 N 0.34 0.00 -0.45 3.16 0.05 -1.24 -2.43 116.97 116.40 3ifs h TYR 23 Ca 0.55 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.33 3ifs h TYR 23 Cb 1.06 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.80 3ifs h TYR 23 CO -0.17 0.00 0.00 1.28 -1.05 0.00 0.00 178.16 178.22 3ifs n LEU 24 N -2.88 2.98 -0.04 3.88 4.32 0.33 -4.59 117.00 121.01 3ifs n LEU 24 Ca -0.02 -1.39 -0.08 0.00 -0.02 0.00 0.00 56.01 54.50 3ifs n LEU 24 Cb 0.08 -0.30 -0.02 0.00 -1.62 0.00 0.00 43.42 41.57 3ifs n LEU 24 CO 0.18 0.70 0.77 -0.09 -1.22 0.00 0.00 177.39 177.72 3ifs h ARG 25 N 3.55 -0.12 -0.48 3.23 2.43 -1.53 -0.41 114.38 121.04 3ifs h ARG 25 Ca 0.00 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3ifs h ARG 25 Cb 0.80 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 3ifs h ARG 25 CO 0.00 -0.08 0.18 -0.44 -1.51 0.00 0.00 179.97 178.12 3ifs h ASP 26 N -0.13 0.68 -0.58 -3.80 3.32 -1.85 -1.78 116.42 112.29 3ifs h ASP 26 Ca 0.12 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3ifs h ASP 26 Cb 0.31 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3ifs h ASP 26 CO -0.29 0.68 0.25 0.00 -1.72 0.00 0.00 179.24 178.17 3ifs h ALA 27 N 1.03 0.74 -0.78 3.45 0.00 -1.81 -2.58 119.26 119.31 3ifs h ALA 27 Ca 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3ifs h ALA 27 Cb 0.22 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3ifs h ALA 27 CO -0.01 0.33 0.40 0.28 0.00 0.00 0.00 179.25 180.26 3ifs h VAL 28 N 0.79 1.24 -0.12 0.00 2.07 -0.94 -1.67 116.25 117.63 3ifs h VAL 28 Ca 0.19 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 3ifs h VAL 28 Cb 0.16 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3ifs h VAL 28 CO -0.02 0.28 0.05 0.50 0.02 0.00 0.00 177.57 178.39 3ifs h LYS 29 N 1.09 0.17 -0.33 1.57 3.64 -1.17 0.18 116.57 121.72 3ifs h LYS 29 Ca 0.27 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.57 3ifs h LYS 29 Cb 0.07 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3ifs h LYS 29 CO -0.04 0.27 -0.03 -0.24 -2.27 0.00 0.00 179.45 177.14 3ifs h VAL 30 N 0.04 1.20 -0.18 2.00 3.04 -1.40 -1.85 116.25 119.10 3ifs h VAL 30 Ca 0.04 -0.83 -0.20 0.00 -1.01 0.00 0.00 66.70 64.70 3ifs h VAL 30 Cb 0.16 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 3ifs h VAL 30 CO -0.00 0.28 -0.67 0.74 -1.01 0.00 0.00 177.57 176.91 3ifs h THR 31 N 0.50 1.30 -0.32 3.17 2.02 -1.04 -2.29 112.91 116.25 3ifs h THR 31 Ca 0.10 -1.92 0.03 0.00 0.77 0.00 0.00 66.41 65.39 3ifs h THR 31 Cb 0.36 1.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.63 3ifs h THR 31 CO 0.01 0.60 0.14 -0.74 0.37 0.00 0.00 175.52 175.91 3ifs h HIS 32 N 0.50 0.26 -0.29 3.16 6.17 -0.28 -1.23 115.15 123.44 3ifs h HIS 32 Ca -0.02 0.01 -0.03 0.00 0.71 0.00 0.00 60.37 61.04 3ifs h HIS 32 Cb 1.27 -0.07 -0.02 0.00 2.52 0.00 0.00 27.41 31.11 3ifs h HIS 32 CO 0.07 0.14 0.04 0.45 0.71 0.00 0.00 177.93 179.34 3ifs h HIS 33 N 0.31 0.42 -0.06 5.26 3.86 -1.22 -1.64 115.15 122.08 3ifs h HIS 33 Ca 0.14 -0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.22 3ifs h HIS 33 Cb 0.07 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 3ifs h HIS 33 CO -0.11 0.39 -0.44 0.00 0.86 0.00 0.00 177.93 178.63 3ifs h ALA 34 N 1.65 1.16 0.10 2.45 0.00 -0.76 0.15 119.26 124.00 3ifs h ALA 34 Ca 0.10 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3ifs h ALA 34 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ifs h ALA 34 CO 0.00 0.59 -0.05 0.82 0.00 0.00 0.00 179.25 180.61 3ifs h ILE 35 N 0.12 1.07 0.00 0.00 2.04 -0.36 -0.67 117.51 119.71 3ifs h ILE 35 Ca 0.01 -0.66 -0.08 0.00 1.00 0.00 0.00 64.86 65.12 3ifs h ILE 35 Cb 0.82 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 3ifs h ILE 35 CO 0.06 0.16 -0.40 0.45 0.00 0.00 0.00 178.15 178.43 3ifs h HIS 36 N -0.44 0.00 -0.00 1.37 3.86 -1.22 -2.78 115.15 115.93 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 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 3ifs h HIS 36 CO 0.03 0.40 -0.40 0.39 0.86 0.00 0.00 177.93 179.20 3ifs n GLU 37 N -3.48 0.46 -3.56 2.45 1.02 0.50 -4.97 120.64 113.07 3ifs n GLU 37 Ca 0.00 -0.28 -0.20 0.00 -0.02 0.00 0.00 57.16 56.66 3ifs n GLU 37 Cb 0.54 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.53 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 -1.03 -5.06 0.00 3.49 5.02 -0.33 -4.93 118.16 115.33 3ifs n LYS 38 Ca 0.09 0.72 0.04 0.00 -2.02 0.00 0.00 58.31 57.13 3ifs n LYS 38 Cb 0.35 -5.43 -0.04 0.00 -0.02 0.00 0.00 35.03 29.88 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 -4.12 0.00 -2.65 -0.18 -2.24 -0.78 -4.84 114.28 99.48 3ifs n THR 39 Ca -0.26 -0.32 -0.10 0.00 -2.27 0.00 0.00 64.05 61.10 3ifs n THR 39 Cb 0.67 1.00 0.04 0.00 -2.10 0.00 0.00 70.33 69.94 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 1.18 1.20 3.66 3.38 0.00 -1.25 -4.99 105.19 108.37 3ifs n GLY 40 Ca 0.02 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 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 -2.86 0.76 -2.08 4.61 0.00 -1.26 -2.34 120.51 117.34 3ifs n ALA 41 Ca -0.07 0.37 -0.15 0.00 0.00 0.00 0.00 53.44 53.59 3ifs n ALA 41 Cb 0.26 -2.17 -0.02 0.00 0.00 0.00 0.00 19.45 17.52 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 0.93 0.19 0.00 0.00 0.00 -1.26 -4.65 105.19 100.40 3ifs n GLY 42 Ca 0.06 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.78 0.00 -0.18 1.61 0.23 -0.99 -1.66 115.26 113.49 3ifs n ASN 43 Ca -0.17 0.26 0.15 0.00 -0.53 0.00 0.00 54.58 54.29 3ifs n ASN 43 Cb 0.60 -0.36 0.72 0.00 -2.08 0.00 0.00 39.78 38.66 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 -1.36 0.59 -2.30 0.53 8.00 -1.26 -4.05 116.55 116.70 3ifs n ASP 44 Ca 0.04 -1.01 -0.22 0.00 0.71 0.00 0.00 54.79 54.31 3ifs n ASP 44 Cb 0.09 -0.03 0.02 0.00 -0.02 0.00 0.00 41.12 41.18 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 -0.64 2.79 -1.03 1.24 3.72 -0.67 -4.30 117.46 118.58 3ifs n PHE 45 Ca 0.19 -2.60 0.08 0.00 -0.05 0.00 0.00 57.45 55.07 3ifs n PHE 45 Cb 0.24 -0.23 0.26 0.00 -0.94 0.00 0.00 39.48 38.80 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 -0.57 3.91 0.29 4.37 4.77 -1.10 -4.63 117.00 124.04 3ifs n LEU 46 Ca 0.37 -3.07 0.17 0.00 -0.03 0.00 0.00 56.01 53.44 3ifs n LEU 46 Cb 0.83 -0.55 0.88 0.00 -2.33 0.00 0.00 43.42 42.25 3ifs n LEU 46 CO 0.34 0.71 1.06 1.23 -1.33 0.00 0.00 177.39 179.40 3ifs h GLY 47 N 1.73 0.00 2.00 -0.72 0.00 -1.05 -2.43 103.07 102.60 3ifs h GLY 47 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3ifs h GLY 47 CO 0.24 0.00 0.00 0.11 0.00 0.00 0.00 176.54 176.89 3ifs h TRP 48 N 0.00 0.00 -0.11 5.60 5.08 -1.83 -3.12 115.95 121.57 3ifs h TRP 48 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3ifs h TRP 48 Cb 0.22 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.37 3ifs h TRP 48 CO 0.00 0.00 0.06 0.28 -1.28 0.00 0.00 178.44 177.50 3ifs h VAL 49 N 0.00 1.01 -0.22 0.12 2.07 -1.81 -3.20 116.25 114.21 3ifs h VAL 49 Ca 0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3ifs h VAL 49 Cb 0.71 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3ifs h VAL 49 CO 0.00 0.02 0.00 0.47 0.02 0.00 0.00 177.57 178.08 3ifs n ASP 50 N -5.03 2.85 -0.30 0.57 8.00 -1.25 -4.60 116.55 116.78 3ifs n ASP 50 Ca -0.05 -1.84 0.11 0.00 0.71 0.00 0.00 54.79 53.73 3ifs n ASP 50 Cb 0.04 -0.14 0.28 0.00 -0.02 0.00 0.00 41.12 41.28 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 3.37 0.40 -2.30 0.64 5.85 -1.53 0.15 115.31 121.89 3ifs h LEU 51 Ca 0.00 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3ifs h LEU 51 Cb 0.79 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 3ifs h LEU 51 CO 0.00 0.08 -0.04 -0.65 -0.34 0.00 0.00 178.44 177.48 3ifs h PRO 52 N 0.48 0.00 0.02 5.25 0.11 -1.81 -0.60 132.00 135.44 3ifs h PRO 52 Ca 0.53 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 66.30 3ifs h PRO 52 Cb 0.92 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.99 3ifs h PRO 52 CO -0.47 0.04 -1.89 -0.11 -0.21 0.00 0.00 178.00 175.36 3ifs n LEU 53 N -3.71 2.13 -1.26 2.35 7.94 -0.34 -4.64 117.00 119.48 3ifs n LEU 53 Ca -0.03 0.31 0.10 0.00 -1.11 0.00 0.00 56.01 55.28 3ifs n LEU 53 Cb 0.14 -0.94 0.30 0.00 0.53 0.00 0.00 43.42 43.44 3ifs n LEU 53 CO 0.28 0.53 0.75 0.00 -1.11 0.00 0.00 177.39 177.84 3ifs n GLN 54 N -4.10 2.69 -1.60 1.96 6.02 0.38 -5.00 117.38 117.71 3ifs n GLN 54 Ca -0.40 -2.40 -0.38 0.00 -0.01 0.00 0.00 57.00 53.81 3ifs n GLN 54 Cb 0.84 -1.57 0.05 0.00 1.02 0.00 0.00 30.24 30.58 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 1.35 0.75 -1.82 1.08 4.11 -0.24 -4.82 117.16 117.56 3ifs n TYR 55 Ca 0.22 0.45 -0.43 0.00 -0.00 0.00 0.00 57.90 58.14 3ifs n TYR 55 Cb 0.60 -2.14 -0.03 0.00 -0.00 0.00 0.00 39.34 37.78 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 -1.18 6.04 0.15 9.48 -1.08 -1.26 -4.89 116.67 123.93 3ifs s ASP 56 Ca 0.74 1.96 0.04 0.00 -0.52 0.00 0.00 52.55 54.77 3ifs s ASP 56 Cb -0.43 -2.52 -0.09 0.00 -1.46 0.00 0.00 42.92 38.42 3ifs s ASP 56 CO 0.49 -1.48 1.33 0.11 0.52 0.00 0.00 175.17 176.14 3ifs h LYS 57 N 12.35 0.11 -0.30 4.34 1.57 -1.99 -2.16 116.57 130.49 3ifs h LYS 57 Ca -0.40 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.17 3ifs h LYS 57 Cb 1.21 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 3ifs h LYS 57 CO 0.97 0.97 -0.07 0.93 -0.57 0.00 0.00 179.45 181.69 3ifs h GLU 58 N 0.05 0.58 -0.41 3.15 5.08 -2.00 -2.27 114.58 118.76 3ifs h GLU 58 Ca -0.04 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3ifs h GLU 58 Cb 1.63 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.83 3ifs h GLU 58 CO 0.14 0.77 0.22 1.49 -1.00 0.00 0.00 179.01 180.63 3ifs h GLU 59 N 0.35 0.57 -0.65 2.33 4.81 -1.97 -1.80 114.58 118.22 3ifs h GLU 59 Ca 0.08 -0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.35 3ifs h GLU 59 Cb 0.55 -0.11 -0.08 0.00 0.63 0.00 0.00 28.75 29.74 3ifs h GLU 59 CO 0.03 0.46 0.24 0.35 -0.73 0.00 0.00 179.01 179.36 3ifs h PHE 60 N 0.53 0.41 -0.32 0.92 3.04 -1.25 0.39 116.94 120.66 3ifs h PHE 60 Ca 0.14 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 62.07 3ifs h PHE 60 Cb 0.05 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.46 3ifs h PHE 60 CO -0.02 0.09 -0.04 0.00 -2.02 0.00 0.00 178.31 176.31 3ifs h ALA 61 N 1.45 1.34 -0.02 2.41 0.00 -0.99 -2.06 119.26 121.39 3ifs h ALA 61 Ca 0.33 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 3ifs h ALA 61 Cb 0.44 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3ifs h ALA 61 CO -0.34 0.45 -0.58 -0.09 0.00 0.00 0.00 179.25 178.70 3ifs h ARG 62 N 0.48 0.08 -0.37 0.00 2.43 -0.29 -1.91 114.38 114.81 3ifs h ARG 62 Ca 0.10 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3ifs h ARG 62 Cb 0.38 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 3ifs h ARG 62 CO 0.02 0.63 0.17 0.82 -1.51 0.00 0.00 179.97 180.10 3ifs h ILE 63 N 0.06 1.17 -0.68 1.20 2.04 -0.32 -1.26 117.51 119.72 3ifs h ILE 63 Ca -0.00 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.38 3ifs h ILE 63 Cb 1.03 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 3ifs h ILE 63 CO 0.08 0.18 0.45 1.56 0.00 0.00 0.00 178.15 180.41 3ifs h GLN 64 N 0.45 0.89 -0.49 2.37 4.20 -1.16 -0.26 115.11 121.11 3ifs h GLN 64 Ca 0.13 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 3ifs h GLN 64 Cb 0.12 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3ifs h GLN 64 CO -0.02 0.59 0.04 -0.22 -0.67 0.00 0.00 178.83 178.56 3ifs h LYS 65 N 0.92 0.83 -0.53 1.46 3.64 -1.21 -2.16 116.57 119.51 3ifs h LYS 65 Ca 0.25 -0.24 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 3ifs h LYS 65 Cb -0.10 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 3ifs h LYS 65 CO -0.05 0.85 -0.02 0.00 -2.27 0.00 0.00 179.45 177.96 3ifs h ALA 67 N 1.13 1.02 -0.44 0.00 0.00 -0.87 -1.32 119.26 118.77 3ifs h ALA 67 Ca 0.15 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3ifs h ALA 67 Cb 0.52 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3ifs h ALA 67 CO 0.03 0.54 0.12 0.93 0.00 0.00 0.00 179.25 180.86 3ifs h GLU 68 N 1.10 0.69 -0.31 0.00 4.39 -1.11 -1.12 114.58 118.22 3ifs h GLU 68 Ca 0.28 -0.16 0.04 0.00 0.34 0.00 0.00 59.36 59.86 3ifs h GLU 68 Cb 0.05 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.57 3ifs h GLU 68 CO -0.04 0.69 0.08 -0.22 -1.16 0.00 0.00 179.01 178.36 3ifs h LYS 69 N 0.57 0.20 -0.55 2.33 3.64 -1.04 -1.81 116.57 119.92 3ifs h LYS 69 Ca 0.14 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 3ifs h LYS 69 Cb 0.30 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3ifs h LYS 69 CO -0.00 0.13 0.24 0.82 -2.27 0.00 0.00 179.45 178.37 3ifs h ILE 70 N 0.21 1.21 -0.41 2.00 2.04 -1.13 -0.90 117.51 120.53 3ifs h ILE 70 Ca 0.14 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.39 3ifs h ILE 70 Cb 0.13 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3ifs h ILE 70 CO -0.16 0.25 0.27 0.11 0.00 0.00 0.00 178.15 178.62 3ifs h LYS 71 N 0.74 0.48 0.00 2.37 1.57 -0.93 -0.60 116.57 120.20 3ifs h LYS 71 Ca 0.18 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3ifs h LYS 71 Cb 0.16 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3ifs h LYS 71 CO -0.02 0.32 -0.69 -0.91 -0.57 0.00 0.00 179.45 177.58 3ifs h ASN 72 N 0.50 0.00 0.00 0.86 2.35 -0.79 -3.38 115.58 115.11 3ifs h ASN 72 Ca 0.16 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3ifs h ASN 72 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3ifs h ASN 72 CO -0.04 0.10 0.00 -0.90 -1.65 0.00 0.00 177.43 174.94 3ifs n ASP 73 N -2.16 1.37 -3.96 5.81 5.68 -0.39 -5.06 116.55 117.83 3ifs n ASP 73 Ca 0.03 -1.52 -0.15 0.00 -0.50 0.00 0.00 54.79 52.65 3ifs n ASP 73 Cb 0.45 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.29 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 -0.52 0.58 0.19 -1.12 0.01 -0.26 -4.65 113.70 107.94 3ifs s SER 74 Ca 0.00 -0.13 0.18 0.00 1.31 0.00 0.00 55.95 57.30 3ifs s SER 74 Cb 0.00 -0.05 -0.00 0.00 0.21 0.00 0.00 66.02 66.18 3ifs s SER 74 CO 0.00 0.03 1.14 0.44 0.41 0.00 0.00 173.24 175.26 3ifs h ASP 75 N 5.87 0.00 -3.89 2.44 3.32 -0.83 -3.42 116.42 119.91 3ifs h ASP 75 Ca -0.28 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.57 3ifs h ASP 75 Cb 1.19 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.48 3ifs h ASP 75 CO 0.49 0.40 -0.58 -0.63 -1.72 0.00 0.00 179.24 177.20 3ifs s ILE 76 N -3.04 0.01 -0.20 0.35 1.01 -0.81 -1.50 121.20 117.02 3ifs s ILE 76 Ca 0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.54 3ifs s ILE 76 Cb 0.08 -0.19 -0.02 0.00 0.01 0.00 0.00 42.46 42.34 3ifs s ILE 76 CO 0.77 -0.04 -0.03 -0.22 0.00 0.00 0.00 174.94 175.42 3ifs s LEU 77 N -0.08 3.02 -0.31 2.97 2.96 -0.01 -1.62 118.68 125.61 3ifs s LEU 77 Ca -0.01 -0.30 -0.11 0.00 -0.22 0.00 0.00 54.13 53.48 3ifs s LEU 77 Cb -0.02 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 3ifs s LEU 77 CO 0.00 0.04 0.18 -0.22 -1.32 0.00 0.00 176.35 175.03 3ifs s LEU 78 N 1.15 4.17 -0.24 -0.68 2.96 0.03 -1.18 118.68 124.88 3ifs s LEU 78 Ca 0.02 -0.35 -0.13 0.00 -0.22 0.00 0.00 54.13 53.45 3ifs s LEU 78 Cb -0.15 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 3ifs s LEU 78 CO -0.00 -0.16 0.28 -0.69 -1.32 0.00 0.00 176.35 174.46 3ifs s VAL 79 N 1.68 5.26 -0.36 1.68 1.01 0.52 -1.02 120.40 129.17 3ifs s VAL 79 Ca 0.06 0.42 -0.08 0.00 0.00 0.00 0.00 61.98 62.38 3ifs s VAL 79 Cb -0.17 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.64 3ifs s VAL 79 CO 0.08 0.26 0.16 -0.69 0.00 0.00 0.00 175.10 174.92 3ifs s VAL 80 N 1.47 4.11 -0.09 2.92 1.01 -0.37 -0.98 120.40 128.47 3ifs s VAL 80 Ca 0.13 -1.10 -0.32 0.00 0.00 0.00 0.00 61.98 60.68 3ifs s VAL 80 Cb -0.15 -3.35 0.14 0.00 0.00 0.00 0.00 36.38 33.02 3ifs s VAL 80 CO 0.08 -0.26 1.42 -0.83 0.00 0.00 0.00 175.10 175.51 3ifs s GLY 81 N 1.57 -0.46 0.06 4.51 0.00 -0.75 -0.90 107.32 111.35 3ifs s GLY 81 Ca 0.00 0.84 -0.08 0.00 0.00 0.00 0.00 44.72 45.48 3ifs s GLY 81 CO 0.04 1.02 0.17 -1.50 0.00 0.00 0.00 173.10 172.83 3ifs s ILE 82 N -2.05 0.14 0.00 0.90 2.07 -1.26 -3.02 121.20 117.97 3ifs s ILE 82 Ca 0.17 -1.11 0.00 0.00 -1.41 0.00 0.00 60.65 58.30 3ifs s ILE 82 Cb 0.07 -1.16 0.00 0.00 0.13 0.00 0.00 42.46 41.50 3ifs s ILE 82 CO -0.06 -0.62 0.00 0.61 -1.91 0.00 0.00 174.94 172.96 3ifs n GLY 83 N 0.29 3.86 0.30 1.50 0.00 -1.26 -1.70 105.19 108.17 3ifs n GLY 83 Ca -0.17 0.07 0.17 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.93 -0.02 0.00 -1.97 -1.03 103.07 99.12 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 -3.53 1.50 0.03 0.19 7.64 -0.69 -4.45 113.62 114.32 3ifs n SER 85 Ca -0.02 -1.90 0.00 0.00 1.01 0.00 0.00 58.87 57.95 3ifs n SER 85 Cb 0.14 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.29 -0.49 -0.26 1.43 9.36 -0.50 -4.37 117.16 122.61 3ifs n TYR 86 Ca 0.11 0.09 -0.07 0.00 3.32 0.00 0.00 57.90 61.35 3ifs n TYR 86 Cb 0.25 0.32 0.06 0.00 -0.63 0.00 0.00 39.34 39.34 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 1.08 -0.16 2.98 3.38 -1.49 -2.16 115.31 118.94 3ifs h LEU 87 Ca 0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3ifs h LEU 87 Cb 0.28 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3ifs h LEU 87 CO 0.00 1.02 0.08 1.23 0.09 0.00 0.00 178.44 180.85 3ifs h GLY 88 N 1.11 0.25 0.91 0.83 0.00 -1.82 0.40 103.07 104.76 3ifs h GLY 88 Ca 0.23 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 3ifs h GLY 88 CO -0.00 0.12 0.11 0.00 0.00 0.00 0.00 176.54 176.77 3ifs h ALA 89 N 0.94 0.34 -0.79 3.60 0.00 -1.85 -2.12 119.26 119.37 3ifs h ALA 89 Ca 0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3ifs h ALA 89 Cb 0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3ifs h ALA 89 CO -0.01 -0.06 0.33 -0.09 0.00 0.00 0.00 179.25 179.42 3ifs h ARG 90 N 0.28 1.17 -0.33 0.00 2.43 -1.28 -1.00 114.38 115.64 3ifs h ARG 90 Ca 0.09 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3ifs h ARG 90 Cb 0.18 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3ifs h ARG 90 CO -0.01 0.93 0.21 0.00 -1.51 0.00 0.00 179.97 179.60 3ifs h ALA 91 N 1.21 0.42 -0.21 2.80 0.00 -0.79 -0.99 119.26 121.70 3ifs h ALA 91 Ca 0.27 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3ifs h ALA 91 Cb 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3ifs h ALA 91 CO -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 179.25 179.05 3ifs h ALA 92 N 1.13 0.29 -0.35 0.00 0.00 -1.12 -3.21 119.26 116.00 3ifs h ALA 92 Ca 0.13 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ifs h ALA 92 Cb -0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3ifs h ALA 92 CO -0.04 0.06 0.21 0.82 0.00 0.00 0.00 179.25 180.30 3ifs h ILE 93 N 0.13 1.13 0.00 0.00 2.04 -1.11 -1.72 117.51 117.97 3ifs h ILE 93 Ca 0.05 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.61 3ifs h ILE 93 Cb 0.49 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 3ifs h ILE 93 CO 0.02 0.13 0.00 -0.62 0.00 0.00 0.00 178.15 177.68 3ifs n GLU 94 N -4.79 0.64 0.00 2.37 1.02 -0.38 -2.14 120.64 117.36 3ifs n GLU 94 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3ifs n GLU 94 Cb 0.06 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 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 0.81 0.00 -4.83 -4.62 4.77 -0.65 -4.81 117.00 107.67 3ifs n LEU 96 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 3ifs n LEU 96 Cb 0.32 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.37 3ifs n LEU 96 CO 0.00 0.00 -0.05 0.20 -1.33 0.00 0.00 177.39 176.21 3ifs s ASN 97 N 0.00 4.78 0.34 -1.43 -0.87 -0.91 -5.05 114.94 111.80 3ifs s ASN 97 Ca 0.00 -0.93 -0.26 0.00 -1.57 0.00 0.00 52.86 50.10 3ifs s ASN 97 Cb 0.00 -0.41 -0.13 0.00 -0.02 0.00 0.00 41.25 40.69 3ifs s ASN 97 CO 0.00 -0.68 0.94 1.57 -2.57 0.00 0.00 177.10 176.37 3ifs n HIS 98 N -1.47 1.00 0.30 2.20 -0.00 -1.26 -4.85 115.22 111.14 3ifs n HIS 98 Ca 0.01 0.66 0.16 0.00 -0.00 0.00 0.00 57.72 58.55 3ifs n HIS 98 Cb 0.63 -2.21 0.93 0.00 -0.00 0.00 0.00 29.99 29.34 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 -0.44 0.26 0.02 -1.98 -1.99 113.55 111.12 3ifs h SER 99 Ca -0.41 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.22 3ifs h SER 99 Cb 1.35 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.63 3ifs h SER 99 CO 0.58 0.02 -0.71 0.49 -1.14 0.00 0.00 176.83 176.07 3ifs n PHE 100 N -3.73 1.59 -0.39 3.45 3.01 -1.26 -4.93 117.46 115.20 3ifs n PHE 100 Ca -0.03 -1.90 -0.09 0.00 1.01 0.00 0.00 57.45 56.43 3ifs n PHE 100 Cb 0.10 -0.30 -0.08 0.00 -0.01 0.00 0.00 39.48 39.19 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 -0.84 -0.37 0.35 1.38 9.36 -0.75 -0.95 117.16 125.35 3ifs n TYR 101 Ca 0.32 1.17 0.14 0.00 3.32 0.00 0.00 57.90 62.86 3ifs n TYR 101 Cb 0.86 -0.60 0.56 0.00 -0.63 0.00 0.00 39.34 39.53 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 0.91 2.98 2.35 -1.92 -3.09 115.58 116.82 3ifs h ASN 102 Ca 0.17 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.83 3ifs h ASN 102 Cb 0.40 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 3ifs h ASN 102 CO -0.89 0.00 -1.14 0.74 -1.65 0.00 0.00 177.43 174.49 3ifs h THR 103 N 0.00 0.31 -4.14 2.81 2.02 -1.45 -3.47 112.91 108.98 3ifs h THR 103 Ca 0.00 -1.59 -0.51 0.00 0.77 0.00 0.00 66.41 65.08 3ifs h THR 103 Cb 0.47 1.85 0.20 0.00 -1.74 0.00 0.00 68.15 68.92 3ifs h THR 103 CO 0.00 0.18 0.20 -0.76 0.37 0.00 0.00 175.52 175.51 3ifs s LEU 104 N -5.68 2.60 0.73 2.58 1.43 -0.67 -5.00 118.68 114.67 3ifs s LEU 104 Ca -0.01 2.09 -0.11 0.00 -1.03 0.00 0.00 54.13 55.06 3ifs s LEU 104 Cb 0.09 -4.42 0.03 0.00 0.03 0.00 0.00 46.19 41.92 3ifs s LEU 104 CO 0.79 -3.20 1.10 -0.94 0.23 0.00 0.00 176.35 174.33 3ifs s SER 105 N -2.69 5.15 0.23 2.29 1.04 -1.26 -4.79 113.70 113.66 3ifs s SER 105 Ca 0.67 1.20 -0.06 0.00 0.48 0.00 0.00 55.95 58.23 3ifs s SER 105 Cb -0.23 -1.98 0.33 0.00 0.10 0.00 0.00 66.02 64.24 3ifs s SER 105 CO 0.59 -1.54 1.80 0.11 0.98 0.00 0.00 173.24 175.18 3ifs h LYS 106 N -0.79 0.71 -0.41 4.02 1.57 -1.95 0.49 116.57 120.20 3ifs h LYS 106 Ca -0.46 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.30 3ifs h LYS 106 Cb 1.26 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.38 3ifs h LYS 106 CO 0.62 0.47 0.25 1.49 -0.57 0.00 0.00 179.45 181.71 3ifs h GLU 107 N 0.73 0.49 -0.17 3.15 4.57 -1.97 0.11 114.58 121.50 3ifs h GLU 107 Ca 0.36 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.46 3ifs h GLU 107 Cb 0.30 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 3ifs h GLU 107 CO -0.23 0.32 -0.07 1.96 -1.18 0.00 0.00 179.01 179.81 3ifs h GLN 108 N 0.51 0.35 -0.21 1.92 4.20 -1.76 -3.32 115.11 116.79 3ifs h GLN 108 Ca 0.16 -0.15 -0.16 0.00 0.06 0.00 0.00 58.65 58.57 3ifs h GLN 108 Cb -0.00 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.77 3ifs h GLN 108 CO -0.07 0.65 -0.48 -0.09 -0.67 0.00 0.00 178.83 178.17 3ifs h ARG 109 N 0.03 0.70 0.00 1.46 2.43 -0.76 -3.47 114.38 114.77 3ifs h ARG 109 Ca 0.04 -0.47 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3ifs h ARG 109 Cb 0.54 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3ifs h ARG 109 CO 0.02 1.09 0.00 1.63 -1.51 0.00 0.00 179.97 181.21 3ifs n LYS 110 N -4.15 0.00 -3.89 0.20 5.02 0.38 -4.92 118.16 110.81 3ifs n LYS 110 Ca -0.06 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.00 3ifs n LYS 110 Cb 0.58 -0.21 -0.04 0.00 -0.02 0.00 0.00 35.03 35.34 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 0.00 2.27 0.66 -0.18 -4.23 -1.26 -5.05 115.64 107.84 3ifs s THR 111 Ca 0.00 -1.53 -0.14 0.00 -1.18 0.00 0.00 61.69 58.84 3ifs s THR 111 Cb 0.00 -2.80 -0.00 0.00 1.34 0.00 0.00 72.50 71.04 3ifs s THR 111 CO 0.00 0.00 1.08 -2.84 -0.54 0.00 0.00 174.62 172.32 3ifs s PRO 112 N -4.07 2.94 0.59 3.99 0.02 -1.26 -5.00 135.00 132.21 3ifs s PRO 112 Ca 0.41 1.19 -0.18 0.00 0.02 0.00 0.00 61.00 62.45 3ifs s PRO 112 Cb 0.00 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 3ifs s PRO 112 CO 0.24 -1.11 1.14 -0.65 -0.33 0.00 0.00 177.00 176.29 3ifs s GLN 113 N -4.42 3.10 -0.20 5.54 -0.21 -0.56 -4.81 119.66 118.10 3ifs s GLN 113 Ca 0.63 1.60 0.01 0.00 0.02 0.00 0.00 55.36 57.62 3ifs s GLN 113 Cb -0.17 -1.97 0.04 0.00 1.00 0.00 0.00 33.01 31.91 3ifs s GLN 113 CO 0.45 -1.05 -0.10 0.08 -2.12 0.00 0.00 175.29 172.54 3ifs s VAL 114 N -1.89 1.66 0.14 1.09 1.01 -1.26 -0.83 120.40 120.32 3ifs s VAL 114 Ca 0.72 -1.04 0.10 0.00 0.00 0.00 0.00 61.98 61.76 3ifs s VAL 114 Cb -0.24 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 3ifs s VAL 114 CO 0.32 0.15 -0.20 -0.76 0.00 0.00 0.00 175.10 174.62 3ifs s LEU 115 N 1.39 2.60 -0.00 3.92 1.43 -0.33 -4.99 118.68 122.69 3ifs s LEU 115 Ca -0.02 -0.66 0.07 0.00 -1.03 0.00 0.00 54.13 52.49 3ifs s LEU 115 Cb -0.16 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 3ifs s LEU 115 CO -0.08 0.16 -0.21 -0.36 0.23 0.00 0.00 176.35 176.08 3ifs s PHE 116 N -1.29 2.47 0.17 0.29 0.40 -1.26 -0.36 117.98 118.41 3ifs s PHE 116 Ca 0.18 -0.32 -0.08 0.00 -0.60 0.00 0.00 56.93 56.11 3ifs s PHE 116 Cb -0.10 -1.51 -0.01 0.00 0.51 0.00 0.00 43.02 41.91 3ifs s PHE 116 CO 0.10 0.11 0.28 0.54 0.70 0.00 0.00 175.22 176.94 3ifs s VAL 117 N -0.74 0.06 0.00 -0.44 0.11 -0.16 -4.88 120.40 114.35 3ifs s VAL 117 Ca 0.12 -1.47 0.00 0.00 -2.93 0.00 0.00 61.98 57.70 3ifs s VAL 117 Cb -0.10 -1.95 0.00 0.00 -1.53 0.00 0.00 36.38 32.80 3ifs s VAL 117 CO 0.01 -0.25 0.00 0.61 -3.33 0.00 0.00 175.10 172.14 3ifs n GLY 118 N -0.23 0.67 0.93 6.54 0.00 -1.26 -1.81 105.19 110.02 3ifs n GLY 118 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.62 2.26 -4.01 1.61 0.00 -1.17 -2.53 117.38 110.92 3ifs n GLN 119 Ca 0.00 -1.85 -0.12 0.00 0.00 0.00 0.00 57.00 55.03 3ifs n GLN 119 Cb 0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 30.24 28.74 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 -1.84 0.54 -0.37 2.61 2.20 -1.26 -4.94 114.94 111.88 3ifs s ASN 120 Ca 0.32 -1.32 0.07 0.00 -0.94 0.00 0.00 52.86 51.00 3ifs s ASN 120 Cb 0.21 0.69 0.44 0.00 -2.00 0.00 0.00 41.25 40.59 3ifs s ASN 120 CO 0.31 -1.36 1.14 -0.38 -2.94 0.00 0.00 177.10 173.86 3ifs n ILE 121 N -0.53 2.36 -3.52 0.54 5.41 -1.26 -4.86 119.36 117.50 3ifs n ILE 121 Ca -0.02 -4.51 -0.41 0.00 1.00 0.00 0.00 62.75 58.81 3ifs n ILE 121 Cb 0.61 -1.07 -0.10 0.00 -0.71 0.00 0.00 39.64 38.37 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 -3.56 6.00 0.45 4.38 0.15 -1.26 -4.94 113.70 114.92 3ifs s SER 122 Ca 0.48 -0.72 0.23 0.00 0.70 0.00 0.00 55.95 56.64 3ifs s SER 122 Cb 0.40 -2.12 1.02 0.00 -1.71 0.00 0.00 66.02 63.62 3ifs s SER 122 CO -0.08 -0.35 1.88 0.77 1.20 0.00 0.00 173.24 176.66 3ifs h SER 123 N 8.54 0.00 -0.09 5.45 4.64 -2.05 -2.87 113.55 127.16 3ifs h SER 123 Ca -0.29 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.00 3ifs h SER 123 Cb 1.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3ifs h SER 123 CO 0.68 0.23 -0.07 0.74 -0.87 0.00 0.00 176.83 177.54 3ifs h THR 124 N 0.00 1.35 0.00 2.95 2.02 -2.04 -0.72 112.91 116.47 3ifs h THR 124 Ca -0.00 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.00 3ifs h THR 124 Cb 0.64 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 3ifs h THR 124 CO 0.03 0.33 0.00 0.00 0.37 0.00 0.00 175.52 176.25 3ifs n TYR 125 N -4.69 0.00 0.00 3.16 4.19 -1.09 -1.20 117.16 117.54 3ifs n TYR 125 Ca -0.07 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.14 3ifs n TYR 125 Cb 0.30 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.13 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 0.30 0.00 -0.33 2.98 3.00 -0.28 -1.02 118.16 122.81 3ifs n LYS 127 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.28 3ifs n LYS 127 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.12 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 1.05 0.00 3.14 3.32 -1.38 -3.20 116.42 119.35 3ifs h ASP 128 Ca 0.00 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 3ifs h ASP 128 Cb 0.00 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 3ifs h ASP 128 CO 0.00 0.79 0.01 -0.11 -1.72 0.00 0.00 179.24 178.21 3ifs n LEU 129 N -4.43 0.12 0.00 1.55 7.94 -0.19 -3.46 117.00 118.53 3ifs n LEU 129 Ca 0.10 -0.06 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 3ifs n LEU 129 Cb 0.04 -0.03 0.00 0.00 0.53 0.00 0.00 43.42 43.96 3ifs n LEU 129 CO 0.37 0.01 0.00 0.47 -1.11 0.00 0.00 177.39 177.13 3ifs n ASP 131 N 2.01 0.00 0.09 1.96 8.00 -1.21 -2.05 116.55 125.36 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 0.01 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.23 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 1.41 0.00 2.53 2.07 -1.90 -3.11 116.25 117.25 3ifs h VAL 132 Ca 0.00 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.46 3ifs h VAL 132 Cb 0.00 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3ifs h VAL 132 CO 0.00 0.60 0.00 -0.07 0.02 0.00 0.00 177.57 178.12 3ifs h LEU 133 N 0.14 0.00 -9.28 2.57 3.38 -1.75 -3.45 115.31 106.92 3ifs h LEU 133 Ca -0.01 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.33 3ifs h LEU 133 Cb 1.14 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.91 3ifs h LEU 133 CO 0.09 0.00 1.02 1.21 0.09 0.00 0.00 178.44 180.86 3ifs n GLU 134 N -3.05 1.98 -1.22 1.13 4.07 -1.18 -1.64 120.64 120.73 3ifs n GLU 134 Ca 0.03 0.73 -0.08 0.00 -0.06 0.00 0.00 57.16 57.77 3ifs n GLU 134 Cb 0.42 -2.53 -0.03 0.00 -0.06 0.00 0.00 31.44 29.24 3ifs n GLU 134 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ifs n GLY 135 N 4.23 0.97 3.23 8.31 0.00 -1.26 -5.02 105.19 115.65 3ifs n GLY 135 Ca 0.23 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 3ifs n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ifs s LYS 136 N -2.65 1.15 0.14 1.61 -0.14 -0.65 -5.13 119.74 114.06 3ifs s LYS 136 Ca 0.00 -0.95 -0.29 0.00 -1.36 0.00 0.00 55.97 53.37 3ifs s LYS 136 Cb 0.00 -1.26 -0.07 0.00 -1.68 0.00 0.00 37.83 34.82 3ifs s LYS 136 CO 0.00 0.31 0.91 -0.51 -0.76 0.00 0.00 175.35 175.30 3ifs s ASP 137 N -1.42 7.49 0.14 2.83 1.01 -1.26 -4.95 116.67 120.50 3ifs s ASP 137 Ca 0.05 1.77 -0.10 0.00 0.71 0.00 0.00 52.55 54.98 3ifs s ASP 137 Cb -0.09 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.27 3ifs s ASP 137 CO 0.02 0.02 0.28 0.72 0.21 0.00 0.00 175.17 176.43 3ifs s PHE 138 N -0.37 0.23 0.17 4.23 -0.71 -1.26 -0.13 117.98 120.14 3ifs s PHE 138 Ca 0.43 -0.61 0.04 0.00 -1.04 0.00 0.00 56.93 55.76 3ifs s PHE 138 Cb -0.24 0.00 -0.05 0.00 -1.21 0.00 0.00 43.02 41.53 3ifs s PHE 138 CO 0.29 -0.68 -0.08 -1.12 -1.34 0.00 0.00 175.22 172.30 3ifs s SER 139 N -2.91 1.80 -0.10 1.98 0.01 -0.64 -4.97 113.70 108.87 3ifs s SER 139 Ca 0.12 -1.07 0.03 0.00 1.31 0.00 0.00 55.95 56.34 3ifs s SER 139 Cb 0.03 -0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.27 3ifs s SER 139 CO -0.05 -0.38 -0.20 -0.63 0.41 0.00 0.00 173.24 172.39 3ifs s ILE 140 N -3.35 1.79 -0.39 1.44 1.01 0.56 -0.79 121.20 121.45 3ifs s ILE 140 Ca 0.20 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 3ifs s ILE 140 Cb 0.03 -1.57 0.09 0.00 0.01 0.00 0.00 42.46 41.02 3ifs s ILE 140 CO 0.03 0.50 0.19 0.21 0.00 0.00 0.00 174.94 175.86 3ifs s ASN 141 N 0.55 5.30 -0.17 3.58 3.04 -0.19 -0.27 114.94 126.78 3ifs s ASN 141 Ca -0.15 -1.77 -0.18 0.00 0.04 0.00 0.00 52.86 50.80 3ifs s ASN 141 Cb -0.17 -1.85 -0.04 0.00 -1.54 0.00 0.00 41.25 37.65 3ifs s ASN 141 CO 0.05 -0.50 0.49 0.54 -3.04 0.00 0.00 177.10 174.64 3ifs s VAL 142 N 1.23 5.15 -0.18 -5.21 0.11 0.05 -1.24 120.40 120.32 3ifs s VAL 142 Ca 0.05 0.92 0.00 0.00 -2.93 0.00 0.00 61.98 60.02 3ifs s VAL 142 Cb -0.22 -3.82 0.04 0.00 -1.53 0.00 0.00 36.38 30.85 3ifs s VAL 142 CO -0.02 0.24 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.27 3ifs s ILE 143 N 1.23 1.44 -0.29 7.04 1.01 -0.08 -0.94 121.20 130.61 3ifs s ILE 143 Ca 0.24 -0.80 -0.16 0.00 0.00 0.00 0.00 60.65 59.93 3ifs s ILE 143 Cb -0.15 -1.52 0.14 0.00 0.01 0.00 0.00 42.46 40.95 3ifs s ILE 143 CO 0.10 0.21 0.97 -0.55 0.00 0.00 0.00 174.94 175.66 3ifs s SER 144 N 1.50 -0.52 0.16 3.58 0.15 -0.68 -4.50 113.70 113.38 3ifs s SER 144 Ca 0.01 0.82 -0.15 0.00 0.70 0.00 0.00 55.95 57.33 3ifs s SER 144 Cb -0.15 1.23 0.07 0.00 -1.71 0.00 0.00 66.02 65.46 3ifs s SER 144 CO -0.08 -0.13 1.79 0.11 1.20 0.00 0.00 173.24 176.13 3ifs h LYS 145 N 6.14 0.45 0.01 5.44 1.57 -1.93 -3.35 116.57 124.90 3ifs h LYS 145 Ca -0.28 -0.03 -0.36 0.00 -1.87 0.00 0.00 60.65 58.11 3ifs h LYS 145 Cb 1.19 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 33.34 3ifs h LYS 145 CO 0.19 0.30 -2.28 -1.13 -0.57 0.00 0.00 179.45 175.95 3ifs n SER 146 N -4.89 0.76 0.00 0.86 3.41 -1.26 -2.82 113.62 109.69 3ifs n SER 146 Ca 0.02 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 3ifs n SER 146 Cb 0.09 0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 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 1.86 0.87 0.36 5.00 0.00 -1.26 -0.64 105.19 111.39 3ifs n GLY 147 Ca -0.34 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.11 0.00 -1.84 2.61 -2.24 -1.26 -4.64 114.28 104.80 3ifs n THR 148 Ca 0.00 -0.48 -0.42 0.00 -2.27 0.00 0.00 64.05 60.87 3ifs n THR 148 Cb 0.00 1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 69.39 3ifs n THR 148 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3ifs s THR 149 N -0.89 3.29 0.19 4.28 2.01 -1.26 -4.87 115.64 118.39 3ifs s THR 149 Ca 0.11 0.36 -0.21 0.00 0.31 0.00 0.00 61.69 62.26 3ifs s THR 149 Cb 0.08 -3.23 0.13 0.00 0.01 0.00 0.00 72.50 69.49 3ifs s THR 149 CO 0.14 -0.03 1.58 0.74 -0.69 0.00 0.00 174.62 176.35 3ifs h THR 150 N 5.60 0.12 0.63 -0.82 2.02 -1.99 -1.49 112.91 116.98 3ifs h THR 150 Ca -0.44 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 3ifs h THR 150 Cb 1.21 0.12 0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3ifs h THR 150 CO 0.95 0.00 -0.30 -0.33 0.37 0.00 0.00 175.52 176.20 3ifs h GLU 151 N -0.13 -0.82 0.00 6.66 3.07 -1.89 -1.52 114.58 119.95 3ifs h GLU 151 Ca 0.25 0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 59.06 3ifs h GLU 151 Cb 0.56 0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 3ifs h GLU 151 CO -0.75 -0.53 -0.49 -1.00 -1.40 0.00 0.00 179.01 174.83 3ifs h PRO 152 N -0.88 0.00 -0.53 2.33 0.13 -1.45 -1.84 132.00 129.76 3ifs h PRO 152 Ca -0.09 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.98 3ifs h PRO 152 Cb 0.66 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.77 3ifs h PRO 152 CO 0.14 0.49 0.08 0.00 -0.23 0.00 0.00 178.00 178.48 3ifs h ALA 153 N 1.51 0.71 -0.18 -0.56 0.00 -1.15 0.16 119.26 119.76 3ifs h ALA 153 Ca -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3ifs h ALA 153 Cb 0.89 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3ifs h ALA 153 CO 0.06 0.46 -0.00 -0.07 0.00 0.00 0.00 179.25 179.69 3ifs h LEU 154 N 0.77 0.31 -1.02 0.00 3.38 -1.17 -2.07 115.31 115.52 3ifs h LEU 154 Ca 0.16 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 3ifs h LEU 154 Cb 0.41 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3ifs h LEU 154 CO 0.01 0.55 0.00 0.00 0.09 0.00 0.00 178.44 179.10 3ifs h ALA 155 N 0.77 1.19 -0.51 1.53 0.00 -1.24 -2.34 119.26 118.66 3ifs h ALA 155 Ca 0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3ifs h ALA 155 Cb 0.39 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3ifs h ALA 155 CO 0.01 0.53 0.17 0.35 0.00 0.00 0.00 179.25 180.31 3ifs h PHE 156 N 0.67 0.81 -0.48 0.00 3.57 -0.57 -0.66 116.94 120.27 3ifs h PHE 156 Ca 0.13 -0.08 0.08 0.00 3.53 0.00 0.00 57.97 61.64 3ifs h PHE 156 Cb 0.41 -0.24 -0.07 0.00 2.79 0.00 0.00 35.95 38.84 3ifs h PHE 156 CO 0.02 0.70 0.09 0.00 -2.23 0.00 0.00 178.31 176.89 3ifs h ARG 157 N 0.69 0.22 -0.13 1.11 3.08 -0.96 0.16 114.38 118.57 3ifs h ARG 157 Ca 0.17 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 3ifs h ARG 157 Cb 0.26 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3ifs h ARG 157 CO -0.01 0.15 0.02 0.82 -1.07 0.00 0.00 179.97 179.88 3ifs h ILE 158 N 0.23 1.22 0.00 2.04 2.04 -1.12 -2.88 117.51 119.05 3ifs h ILE 158 Ca 0.24 -0.71 -0.13 0.00 1.00 0.00 0.00 64.86 65.26 3ifs h ILE 158 Cb 0.32 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3ifs h ILE 158 CO -0.32 0.21 -0.65 -0.26 0.00 0.00 0.00 178.15 177.13 3ifs h PHE 159 N -0.02 0.00 -0.72 1.37 0.04 -1.01 -2.70 116.94 113.90 3ifs h PHE 159 Ca 0.04 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 3ifs h PHE 159 Cb 0.31 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.42 3ifs h PHE 159 CO 0.02 0.61 0.27 -0.09 -0.60 0.00 0.00 178.31 178.52 3ifs h ARG 160 N 0.00 1.09 -0.65 1.51 2.43 -0.73 -1.17 114.38 116.85 3ifs h ARG 160 Ca -0.01 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 58.89 3ifs h ARG 160 Cb 1.48 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.83 3ifs h ARG 160 CO 0.08 0.90 0.17 -0.22 -1.51 0.00 0.00 179.97 179.39 3ifs h LYS 161 N 1.04 1.02 -0.50 0.20 3.64 -1.41 0.01 116.57 120.57 3ifs h LYS 161 Ca 0.24 -0.23 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 3ifs h LYS 161 Cb 0.24 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3ifs h LYS 161 CO -0.02 0.90 0.16 1.25 -2.27 0.00 0.00 179.45 179.48 3ifs h LEU 162 N 0.98 0.72 -0.26 5.20 5.85 -1.14 0.02 115.31 126.68 3ifs h LEU 162 Ca 0.21 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3ifs h LEU 162 Cb 0.33 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3ifs h LEU 162 CO -0.00 0.72 0.08 0.25 -0.34 0.00 0.00 178.44 179.15 3ifs h LEU 163 N 0.67 0.38 -0.90 2.25 5.85 -0.74 -1.75 115.31 121.06 3ifs h LEU 163 Ca 0.16 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3ifs h LEU 163 Cb 0.26 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3ifs h LEU 163 CO -0.01 0.49 0.52 -0.33 -0.34 0.00 0.00 178.44 178.77 3ifs h GLU 164 N 0.25 1.24 -0.46 1.25 5.08 -0.86 0.57 114.58 121.65 3ifs h GLU 164 Ca 0.08 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3ifs h GLU 164 Cb 0.25 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3ifs h GLU 164 CO -0.00 0.89 0.05 0.93 -1.00 0.00 0.00 179.01 179.88 3ifs h GLU 165 N 1.25 0.73 -0.02 2.33 5.08 -0.76 0.47 114.58 123.66 3ifs h GLU 165 Ca 0.32 -0.16 -0.16 0.00 -1.00 0.00 0.00 59.36 58.36 3ifs h GLU 165 Cb -0.01 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.15 3ifs h GLU 165 CO -0.06 0.71 -0.61 -0.22 -1.00 0.00 0.00 179.01 177.83 3ifs h LYS 166 N 0.69 0.44 0.00 2.33 3.64 -0.67 -3.39 116.57 119.61 3ifs h LYS 166 Ca 0.15 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 3ifs h LYS 166 Cb 0.35 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3ifs h LYS 166 CO 0.01 1.11 -1.23 0.66 -2.27 0.00 0.00 179.45 177.72 3ifs n TYR 167 N -4.20 0.00 0.00 1.91 4.01 0.13 -5.11 117.16 113.90 3ifs n TYR 167 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3ifs n TYR 167 Cb 0.67 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 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 1.53 0.16 0.35 2.72 0.00 0.16 -4.38 105.19 105.74 3ifs n GLY 168 Ca -0.00 -1.66 -0.03 0.00 0.00 0.00 0.00 46.02 44.33 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 1.15 -0.34 1.61 1.57 -1.92 -1.83 116.57 116.81 3ifs h LYS 169 Ca 0.00 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 3ifs h LYS 169 Cb 0.00 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3ifs h LYS 169 CO 0.00 0.84 -0.17 1.49 -0.57 0.00 0.00 179.45 181.04 3ifs h GLU 170 N 1.15 0.71 -0.07 3.15 4.57 -1.96 -1.82 114.58 120.32 3ifs h GLU 170 Ca 0.29 -0.31 -0.15 0.00 -1.18 0.00 0.00 59.36 58.01 3ifs h GLU 170 Cb 0.03 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 3ifs h GLU 170 CO -0.05 0.92 -0.61 1.49 -1.18 0.00 0.00 179.01 179.58 3ifs h GLU 171 N 0.49 0.23 -0.78 1.92 4.57 -1.75 -3.12 114.58 116.13 3ifs h GLU 171 Ca 0.07 -0.16 -0.04 0.00 -1.18 0.00 0.00 59.36 58.06 3ifs h GLU 171 Cb 0.71 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.29 3ifs h GLU 171 CO 0.05 0.77 0.34 0.00 -1.18 0.00 0.00 179.01 179.00 3ifs h ALA 172 N 1.19 1.01 -0.97 2.92 0.00 -1.16 -2.01 119.26 120.24 3ifs h ALA 172 Ca -0.01 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 54.92 3ifs h ALA 172 Cb 1.12 -0.31 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 3ifs h ALA 172 CO 0.09 0.61 0.61 -0.09 0.00 0.00 0.00 179.25 180.47 3ifs h ARG 173 N 1.12 0.63 0.00 0.00 2.43 -1.27 0.21 114.38 117.50 3ifs h ARG 173 Ca 0.26 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3ifs h ARG 173 Cb 0.17 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3ifs h ARG 173 CO -0.03 0.42 0.00 1.63 -1.51 0.00 0.00 179.97 180.48 3ifs n LYS 174 N -4.66 0.44 -0.14 0.20 5.02 -0.76 -3.19 118.16 115.07 3ifs n LYS 174 Ca 0.22 0.03 0.04 0.00 -2.02 0.00 0.00 58.31 56.58 3ifs n LYS 174 Cb 0.61 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 34.23 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 -1.25 2.87 -4.91 1.97 1.74 0.71 -4.96 116.66 112.85 3ifs n ARG 175 Ca 0.14 -1.95 -0.33 0.00 -0.77 0.00 0.00 57.85 54.94 3ifs n ARG 175 Cb 0.19 -1.23 -0.16 0.00 -1.02 0.00 0.00 32.46 30.24 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 -1.17 2.55 -0.19 0.55 1.01 -1.11 -0.33 121.20 122.52 3ifs s ILE 176 Ca 0.18 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 60.00 3ifs s ILE 176 Cb 0.10 -2.04 0.04 0.00 0.01 0.00 0.00 42.46 40.57 3ifs s ILE 176 CO 0.10 0.54 -0.13 -0.31 0.00 0.00 0.00 174.94 175.14 3ifs s TYR 177 N 0.44 2.57 -0.21 3.97 1.51 0.62 -3.47 117.35 122.79 3ifs s TYR 177 Ca -0.13 -1.64 -0.08 0.00 -1.01 0.00 0.00 57.07 54.21 3ifs s TYR 177 Cb -0.17 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 3ifs s TYR 177 CO 0.06 -0.76 0.09 0.00 -1.11 0.00 0.00 175.55 173.82 3ifs s ALA 178 N 1.35 3.42 -0.26 3.71 0.00 -0.61 -0.77 121.76 128.60 3ifs s ALA 178 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3ifs s ALA 178 Cb -0.15 -2.04 0.04 0.00 0.00 0.00 0.00 23.12 20.96 3ifs s ALA 178 CO -0.09 -0.01 -0.08 0.99 0.00 0.00 0.00 175.76 176.57 3ifs s THR 179 N 0.73 2.60 0.02 0.00 2.01 -0.12 -0.69 115.64 120.20 3ifs s THR 179 Ca 0.05 -1.28 -0.01 0.00 0.31 0.00 0.00 61.69 60.76 3ifs s THR 179 Cb -0.13 -2.40 0.00 0.00 0.01 0.00 0.00 72.50 69.99 3ifs s THR 179 CO 0.02 0.10 0.05 1.07 -0.69 0.00 0.00 174.62 175.17 3ifs n THR 180 N 4.58 0.00 -1.50 -0.82 5.66 -0.60 -1.69 114.28 119.91 3ifs n THR 180 Ca -0.16 -0.07 -0.36 0.00 -3.05 0.00 0.00 64.05 60.42 3ifs n THR 180 Cb 0.45 0.06 0.09 0.00 -1.55 0.00 0.00 70.33 69.38 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 -1.17 1.55 0.26 1.09 2.03 -1.13 -1.00 116.55 118.18 3ifs n ASP 181 Ca -0.00 0.74 0.15 0.00 0.52 0.00 0.00 54.79 56.20 3ifs n ASP 181 Cb 0.04 -1.52 0.58 0.00 -0.72 0.00 0.00 41.12 39.50 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 0.01 0.00 0.00 -0.67 2.10 -1.90 -3.41 116.57 112.69 3ifs h LYS 182 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 3ifs h LYS 182 Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 3ifs h LYS 182 CO 0.50 0.04 0.00 0.00 -2.00 0.00 0.00 179.45 177.99 3ifs n ALA 183 N -2.11 0.93 -2.52 0.07 0.00 -1.26 -5.12 120.51 110.50 3ifs n ALA 183 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.26 3ifs n ALA 183 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.80 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 -1.00 3.12 0.00 0.00 0.52 -1.26 -4.84 118.95 115.49 3ifs s ARG 184 Ca 0.00 -1.01 0.00 0.00 -0.52 0.00 0.00 55.73 54.20 3ifs s ARG 184 Cb 0.00 -2.80 0.00 0.00 0.52 0.00 0.00 34.95 32.67 3ifs s ARG 184 CO 0.00 0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.83 3ifs n GLY 185 N -1.60 0.80 0.24 -3.53 0.00 -1.26 -4.37 105.19 95.46 3ifs n GLY 185 Ca -0.01 -1.84 -0.04 0.00 0.00 0.00 0.00 46.02 44.13 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 1.09 -0.09 4.61 0.00 -1.19 -2.71 119.26 120.96 3ifs h ALA 186 Ca 0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 3ifs h ALA 186 Cb 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ifs h ALA 186 CO 0.00 0.56 -0.16 1.25 0.00 0.00 0.00 179.25 180.91 3ifs h LEU 187 N 0.42 0.30 -0.63 0.00 5.85 -1.81 -0.69 115.31 118.76 3ifs h LEU 187 Ca 0.06 -0.55 0.02 0.00 0.84 0.00 0.00 57.88 58.26 3ifs h LEU 187 Cb 0.68 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 3ifs h LEU 187 CO 0.05 0.79 0.40 0.50 -0.34 0.00 0.00 178.44 179.84 3ifs h LYS 188 N -0.18 0.77 -0.44 1.25 1.63 -1.76 0.38 116.57 118.23 3ifs h LYS 188 Ca 0.01 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 3ifs h LYS 188 Cb 0.73 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.16 3ifs h LYS 188 CO 0.04 0.51 0.27 1.15 -3.45 0.00 0.00 179.45 177.97 3ifs h THR 189 N 0.80 1.14 -0.21 1.00 2.02 -1.42 0.92 112.91 117.16 3ifs h THR 189 Ca 0.24 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 3ifs h THR 189 Cb -0.03 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3ifs h THR 189 CO -0.08 0.14 0.08 0.25 0.37 0.00 0.00 175.52 176.28 3ifs h LEU 190 N 0.59 0.29 -0.58 2.58 5.85 -0.50 -0.86 115.31 122.68 3ifs h LEU 190 Ca 0.16 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ifs h LEU 190 Cb -0.01 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3ifs h LEU 190 CO -0.03 0.37 0.37 0.00 -0.34 0.00 0.00 178.44 178.81 3ifs h ALA 191 N 0.93 0.74 -0.53 1.25 0.00 -0.05 0.37 119.26 121.97 3ifs h ALA 191 Ca 0.07 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3ifs h ALA 191 Cb 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3ifs h ALA 191 CO -0.01 0.20 0.32 -0.44 0.00 0.00 0.00 179.25 179.32 3ifs h ASP 192 N 0.78 0.52 -0.59 0.00 3.32 -0.64 -0.40 116.42 119.41 3ifs h ASP 192 Ca 0.21 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.16 3ifs h ASP 192 Cb -0.05 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3ifs h ASP 192 CO -0.04 0.37 -0.04 0.78 -1.72 0.00 0.00 179.24 178.59 3ifs h ASN 193 N 0.64 1.06 0.94 6.45 2.35 -0.43 -3.23 115.58 123.36 3ifs h ASN 193 Ca 0.21 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 3ifs h ASN 193 Cb 0.01 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.09 3ifs h ASN 193 CO -0.09 1.13 -0.60 -0.33 -1.65 0.00 0.00 177.43 175.89 3ifs h GLU 194 N 0.97 0.00 0.00 0.81 4.39 -0.89 -3.48 114.58 116.37 3ifs h GLU 194 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 3ifs h GLU 194 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 3ifs h GLU 194 CO 0.04 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.30 3ifs n GLY 195 N 1.32 0.44 3.79 -3.84 0.00 -0.19 -4.97 105.19 101.73 3ifs n GLY 195 Ca 0.03 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.00 2.92 0.30 1.61 2.02 -1.00 -4.95 117.35 116.25 3ifs s TYR 196 Ca 0.00 1.56 -0.30 0.00 -0.37 0.00 0.00 57.07 57.96 3ifs s TYR 196 Cb 0.00 -3.11 -0.12 0.00 -0.40 0.00 0.00 41.96 38.34 3ifs s TYR 196 CO 0.00 -1.04 1.60 0.39 -1.57 0.00 0.00 175.55 174.93 3ifs n GLU 197 N -1.20 2.72 -4.36 -0.62 -0.58 -1.23 -4.85 120.64 110.52 3ifs n GLU 197 Ca 0.10 0.97 -0.23 0.00 -0.42 0.00 0.00 57.16 57.58 3ifs n GLU 197 Cb 0.52 -2.75 -0.13 0.00 -0.57 0.00 0.00 31.44 28.51 3ifs n GLU 197 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3ifs s THR 198 N -0.03 1.49 0.15 2.62 2.01 -1.26 -1.57 115.64 119.06 3ifs s THR 198 Ca 0.64 -1.32 0.06 0.00 0.31 0.00 0.00 61.69 61.37 3ifs s THR 198 Cb -0.49 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 3ifs s THR 198 CO 0.49 -0.01 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.92 3ifs s PHE 199 N -1.04 1.40 -0.14 4.92 0.08 0.14 -4.97 117.98 118.37 3ifs s PHE 199 Ca 0.04 -0.66 -0.04 0.00 0.12 0.00 0.00 56.93 56.39 3ifs s PHE 199 Cb -0.09 -0.70 -0.03 0.00 -0.57 0.00 0.00 43.02 41.62 3ifs s PHE 199 CO 0.03 0.16 0.01 0.08 -0.10 0.00 0.00 175.22 175.41 3ifs s VAL 200 N -2.96 4.39 -0.39 -0.44 1.01 -1.26 -1.56 120.40 119.19 3ifs s VAL 200 Ca 0.16 -0.19 -0.14 0.00 0.00 0.00 0.00 61.98 61.81 3ifs s VAL 200 Cb -0.00 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.48 3ifs s VAL 200 CO 0.03 0.53 0.27 -0.63 0.00 0.00 0.00 175.10 175.30 3ifs s ILE 201 N -0.14 5.16 0.52 2.22 1.01 -0.17 -4.44 121.20 125.36 3ifs s ILE 201 Ca 0.05 -0.60 -0.23 0.00 0.00 0.00 0.00 60.65 59.87 3ifs s ILE 201 Cb -0.12 -3.83 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 3ifs s ILE 201 CO 0.02 -0.24 1.31 -2.65 0.00 0.00 0.00 174.94 173.38 3ifs n PRO 202 N 5.13 1.71 -0.18 2.79 -0.02 -1.26 -4.39 135.00 138.78 3ifs n PRO 202 Ca -0.11 0.63 0.14 0.00 -2.02 0.00 0.00 63.50 62.13 3ifs n PRO 202 Cb 0.47 -2.50 0.48 0.00 -0.02 0.00 0.00 33.50 31.93 3ifs n PRO 202 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ifs h ASP 203 N 1.55 0.44 -0.61 2.55 3.32 -1.96 -2.52 116.42 119.19 3ifs h ASP 203 Ca -0.50 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.53 3ifs h ASP 203 Cb 1.30 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 3ifs h ASP 203 CO 0.57 0.23 0.05 -0.90 -1.72 0.00 0.00 179.24 177.48 3ifs n ASP 204 N -4.49 5.60 -3.97 6.45 5.75 -1.26 -4.78 116.55 119.85 3ifs n ASP 204 Ca 0.14 -2.99 -0.31 0.00 -0.01 0.00 0.00 54.79 51.63 3ifs n ASP 204 Cb 0.50 -0.70 -0.15 0.00 -1.03 0.00 0.00 41.12 39.73 3ifs n ASP 204 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3ifs s VAL 205 N -2.81 1.76 0.72 2.12 1.01 -0.95 -0.44 120.40 121.81 3ifs s VAL 205 Ca 0.55 -1.52 -0.13 0.00 0.00 0.00 0.00 61.98 60.87 3ifs s VAL 205 Cb 0.42 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.78 3ifs s VAL 205 CO 0.16 -0.21 1.11 -0.83 0.00 0.00 0.00 175.10 175.33 3ifs s GLY 206 N 1.26 1.97 0.23 4.51 0.00 -1.26 -4.76 107.32 109.26 3ifs s GLY 206 Ca -0.03 0.47 -0.08 0.00 0.00 0.00 0.00 44.72 45.08 3ifs s GLY 206 CO -0.08 0.82 1.69 -1.33 0.00 0.00 0.00 173.10 174.21 3ifs h GLY 207 N -0.51 0.88 2.00 0.20 0.00 -1.97 -0.83 103.07 102.85 3ifs h GLY 207 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3ifs h GLY 207 CO 0.52 -0.16 0.00 0.07 0.00 0.00 0.00 176.54 176.97 3ifs h ARG 208 N 0.25 0.00 -0.37 4.80 0.11 -1.92 -1.54 114.38 115.70 3ifs h ARG 208 Ca 0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.45 3ifs h ARG 208 Cb 0.59 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.67 3ifs h ARG 208 CO -0.47 0.00 0.00 1.19 0.10 0.00 0.00 179.97 180.79 3ifs n PHE 209 N -2.40 0.71 0.88 4.08 3.01 -0.36 -4.70 117.46 118.67 3ifs n PHE 209 Ca 0.01 -0.60 0.11 0.00 1.01 0.00 0.00 57.45 57.98 3ifs n PHE 209 Cb 0.19 -0.12 0.30 0.00 -0.01 0.00 0.00 39.48 39.84 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 0.38 2.43 -0.01 4.37 3.41 -0.58 -4.54 113.62 119.08 3ifs n SER 210 Ca 0.16 -1.83 0.07 0.00 -0.26 0.00 0.00 58.87 57.01 3ifs n SER 210 Cb 0.60 -0.15 0.47 0.00 -0.26 0.00 0.00 64.21 64.87 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 3.25 1.02 -0.15 -3.33 3.04 -1.84 -1.02 116.25 117.22 3ifs h VAL 211 Ca 0.00 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 3ifs h VAL 211 Cb 0.71 0.53 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 3ifs h VAL 211 CO 0.00 0.08 0.00 0.18 -1.01 0.00 0.00 177.57 176.82 3ifs n LEU 212 N -4.48 1.03 0.00 3.16 4.77 -1.26 -2.64 117.00 117.58 3ifs n LEU 212 Ca 0.05 -0.47 -0.18 0.00 -0.03 0.00 0.00 56.01 55.38 3ifs n LEU 212 Cb 0.17 -0.09 0.09 0.00 -2.33 0.00 0.00 43.42 41.25 3ifs n LEU 212 CO 0.35 0.23 0.41 0.35 -1.33 0.00 0.00 177.39 177.40 3ifs n THR 213 N -0.03 0.00 0.33 -5.08 -2.24 -0.39 -4.84 114.28 102.03 3ifs n THR 213 Ca 0.11 -1.33 0.21 0.00 -2.27 0.00 0.00 64.05 60.78 3ifs n THR 213 Cb 0.20 -0.90 1.14 0.00 -2.10 0.00 0.00 70.33 68.67 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 -0.56 -0.78 0.11 -1.83 -2.22 132.00 126.72 3ifs h PRO 214 Ca -0.25 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.97 3ifs h PRO 214 Cb 0.99 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 31.99 3ifs h PRO 214 CO 0.29 0.00 -0.21 0.28 -0.21 0.00 0.00 178.00 178.15 3ifs h VAL 215 N 0.00 0.32 0.11 3.15 2.07 -1.84 -2.49 116.25 117.58 3ifs h VAL 215 Ca 0.00 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.17 3ifs h VAL 215 Cb 0.11 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 3ifs h VAL 215 CO 0.00 0.00 -1.93 0.61 0.02 0.00 0.00 177.57 176.27 3ifs n GLY 216 N -1.42 -0.58 0.37 2.17 0.00 -0.88 -4.55 105.19 100.29 3ifs n GLY 216 Ca 0.05 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 45.88 3ifs n GLY 216 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ifs h LEU 217 N -0.03 0.96 0.38 0.99 3.38 -1.33 -2.03 115.31 117.63 3ifs h LEU 217 Ca -0.42 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 3ifs h LEU 217 Cb 1.97 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.56 3ifs h LEU 217 CO 0.06 0.54 -0.18 0.25 0.09 0.00 0.00 178.44 179.20 3ifs h LEU 218 N 1.05 -0.43 -1.27 1.67 5.85 -1.69 -0.65 115.31 119.85 3ifs h LEU 218 Ca 0.48 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 3ifs h LEU 218 Cb 0.39 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 3ifs h LEU 218 CO -0.24 -0.05 0.33 -0.65 -0.34 0.00 0.00 178.44 177.49 3ifs h PRO 219 N -0.86 0.83 -0.36 5.25 0.11 -1.79 -0.43 132.00 134.75 3ifs h PRO 219 Ca -0.05 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 65.97 3ifs h PRO 219 Cb 0.54 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 3ifs h PRO 219 CO 0.08 0.61 0.22 0.82 -0.21 0.00 0.00 178.00 179.53 3ifs h ILE 220 N 0.84 1.12 -0.50 4.15 2.04 -1.35 -2.03 117.51 121.77 3ifs h ILE 220 Ca 0.21 -0.27 -0.10 0.00 1.00 0.00 0.00 64.86 65.71 3ifs h ILE 220 Cb 0.03 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3ifs h ILE 220 CO -0.03 0.12 -0.07 0.00 0.00 0.00 0.00 178.15 178.17 3ifs h ALA 221 N 1.10 0.93 -0.46 1.87 0.00 -0.58 -2.54 119.26 119.57 3ifs h ALA 221 Ca 0.13 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3ifs h ALA 221 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3ifs h ALA 221 CO -0.02 0.63 0.22 0.28 0.00 0.00 0.00 179.25 180.36 3ifs h VAL 222 N 0.81 1.16 0.00 0.00 2.07 -0.81 -1.52 116.25 117.96 3ifs h VAL 222 Ca 0.14 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3ifs h VAL 222 Cb 0.58 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3ifs h VAL 222 CO 0.04 0.18 0.00 -1.54 0.02 0.00 0.00 177.57 176.27 3ifs n SER 223 N -4.39 0.00 0.00 0.57 3.41 -0.79 -4.32 113.62 108.10 3ifs n SER 223 Ca 0.04 -0.75 0.00 0.00 -0.26 0.00 0.00 58.87 57.90 3ifs n SER 223 Cb 0.12 0.00 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 0.36 0.85 3.88 5.00 0.00 -0.57 -4.89 105.19 109.81 3ifs n GLY 224 Ca 0.15 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 3.97 -0.66 0.99 1.43 -1.11 -5.03 118.68 118.27 3ifs s LEU 225 Ca 0.00 0.97 -0.21 0.00 -1.03 0.00 0.00 54.13 53.86 3ifs s LEU 225 Cb 0.00 -3.81 0.08 0.00 0.03 0.00 0.00 46.19 42.50 3ifs s LEU 225 CO 0.00 -0.27 0.90 0.21 0.23 0.00 0.00 176.35 177.42 3ifs s ASN 226 N -2.99 6.21 0.52 2.29 3.84 -1.26 -4.39 114.94 119.16 3ifs s ASN 226 Ca 0.48 -1.20 0.31 0.00 0.21 0.00 0.00 52.86 52.66 3ifs s ASN 226 Cb -0.11 -2.38 1.21 0.00 -0.55 0.00 0.00 41.25 39.43 3ifs s ASN 226 CO 0.28 -1.32 1.93 0.16 -2.79 0.00 0.00 177.10 175.36 3ifs h ILE 227 N 5.94 0.14 -0.40 -5.21 3.07 -1.94 -2.88 117.51 116.23 3ifs h ILE 227 Ca -0.25 -0.68 -0.10 0.00 1.55 0.00 0.00 64.86 65.38 3ifs h ILE 227 Cb 1.07 1.59 -0.01 0.00 -0.27 0.00 0.00 36.82 39.20 3ifs h ILE 227 CO 1.15 0.05 -0.14 -0.08 -1.05 0.00 0.00 178.15 178.09 3ifs h GLU 228 N 0.00 0.80 -5.25 0.16 4.81 -2.01 -3.42 114.58 109.67 3ifs h GLU 228 Ca -0.00 -0.33 -0.22 0.00 -0.13 0.00 0.00 59.36 58.68 3ifs h GLU 228 Cb 0.59 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 3ifs h GLU 228 CO 0.01 0.95 0.70 0.39 -0.73 0.00 0.00 179.01 180.33 3ifs n GLU 229 N -4.29 0.93 0.00 1.92 -0.58 -1.09 -4.68 120.64 112.85 3ifs n GLU 229 Ca -0.01 -2.09 0.00 0.00 -0.42 0.00 0.00 57.16 54.64 3ifs n GLU 229 Cb 0.39 -3.75 0.00 0.00 -0.57 0.00 0.00 31.44 27.51 3ifs n GLU 229 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3ifs n LYS 232 N 8.15 0.00 -0.20 3.49 5.02 -1.26 -3.72 118.16 129.65 3ifs n LYS 232 Ca 0.44 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.65 3ifs n LYS 232 Cb 0.46 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.50 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 0.89 1.49 0.72 0.00 -1.84 -0.64 103.07 103.69 3ifs h GLY 233 Ca 0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 46.80 3ifs h GLY 233 CO 0.00 0.43 -0.10 0.00 0.00 0.00 0.00 176.54 176.87 3ifs h ALA 234 N 1.09 1.15 -0.48 3.60 0.00 -1.77 -1.68 119.26 121.18 3ifs h ALA 234 Ca 0.19 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3ifs h ALA 234 Cb 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3ifs h ALA 234 CO -0.02 0.54 -0.13 0.00 0.00 0.00 0.00 179.25 179.64 3ifs h ALA 235 N 1.32 0.86 -0.76 0.00 0.00 -1.72 0.30 119.26 119.27 3ifs h ALA 235 Ca 0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3ifs h ALA 235 Cb 0.52 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3ifs h ALA 235 CO 0.03 0.64 0.37 0.00 0.00 0.00 0.00 179.25 180.29 3ifs h ALA 236 N 1.04 0.98 -0.48 0.00 0.00 -0.78 -1.95 119.26 118.07 3ifs h ALA 236 Ca 0.13 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3ifs h ALA 236 Cb 0.66 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3ifs h ALA 236 CO 0.05 0.54 0.17 0.78 0.00 0.00 0.00 179.25 180.79 3ifs h GLY 237 N 1.07 0.78 0.50 0.00 0.00 -0.82 -1.07 103.07 103.53 3ifs h GLY 237 Ca 0.26 -0.44 0.08 0.00 0.00 0.00 0.00 47.33 47.23 3ifs h GLY 237 CO -0.03 0.42 0.27 -0.09 0.00 0.00 0.00 176.54 177.11 3ifs h ARG 238 N 0.64 0.48 0.28 4.80 2.43 -0.48 0.48 114.38 123.01 3ifs h ARG 238 Ca 0.16 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3ifs h ARG 238 Cb 0.23 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3ifs h ARG 238 CO -0.01 0.32 -0.14 -0.44 -1.51 0.00 0.00 179.97 178.19 3ifs h ASP 239 N 0.49 -0.32 -0.23 -3.80 3.32 -1.14 -2.62 116.42 112.12 3ifs h ASP 239 Ca 0.30 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 3ifs h ASP 239 Cb 0.31 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 3ifs h ASP 239 CO -0.26 -0.08 0.05 0.44 -1.72 0.00 0.00 179.24 177.67 3ifs h ASP 240 N -0.56 0.43 -0.55 6.45 3.32 -0.87 -2.73 116.42 121.91 3ifs h ASP 240 Ca -0.04 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 3ifs h ASP 240 Cb 0.41 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 3ifs h ASP 240 CO 0.06 0.46 0.05 0.49 -1.72 0.00 0.00 179.24 178.58 3ifs n PHE 241 N -4.34 1.95 1.17 4.55 3.72 0.13 -4.27 117.46 120.37 3ifs n PHE 241 Ca 0.01 -0.87 0.13 0.00 -0.05 0.00 0.00 57.45 56.67 3ifs n PHE 241 Cb 0.19 -0.52 0.26 0.00 -0.94 0.00 0.00 39.48 38.47 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 0.23 0.65 3.77 1.37 0.00 -0.99 -4.92 105.19 105.31 3ifs n GLY 242 Ca 0.30 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.99 4.59 -1.20 2.61 -1.32 -1.26 -4.96 115.64 112.11 3ifs s THR 243 Ca 0.32 1.57 0.27 0.00 -1.21 0.00 0.00 61.69 62.63 3ifs s THR 243 Cb 0.20 -4.08 0.34 0.00 -1.51 0.00 0.00 72.50 67.45 3ifs s THR 243 CO 0.31 0.47 1.89 -1.54 -2.21 0.00 0.00 174.62 173.54 3ifs n SER 244 N 2.10 0.00 -4.60 8.08 3.41 -1.26 -4.79 113.62 116.56 3ifs n SER 244 Ca -0.05 0.22 -0.42 0.00 -0.26 0.00 0.00 58.87 58.36 3ifs n SER 244 Cb 0.50 -0.40 -0.05 0.00 -0.26 0.00 0.00 64.21 64.00 3ifs n SER 244 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3ifs s GLU 245 N -2.80 3.88 0.17 4.33 2.56 -1.26 -4.14 118.70 121.44 3ifs s GLU 245 Ca 0.19 0.49 -0.16 0.00 0.00 0.00 0.00 54.97 55.49 3ifs s GLU 245 Cb 0.18 -3.76 0.12 0.00 2.00 0.00 0.00 34.13 32.67 3ifs s GLU 245 CO 0.45 -0.75 1.69 1.25 -0.56 0.00 0.00 175.26 177.34 3ifs h LEU 246 N 9.59 -0.18 -1.50 2.70 5.85 -1.86 -1.59 115.31 128.31 3ifs h LEU 246 Ca -0.24 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3ifs h LEU 246 Cb 1.09 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.30 3ifs h LEU 246 CO 0.90 -0.05 0.00 1.05 -0.34 0.00 0.00 178.44 180.00 3ifs h GLU 247 N 0.10 0.00 -0.17 1.25 4.11 -1.97 -2.10 114.58 115.81 3ifs h GLU 247 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 3ifs h GLU 247 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3ifs h GLU 247 CO -0.34 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.13 3ifs n GLU 248 N -2.42 1.75 -3.99 1.06 -0.58 -0.66 -4.90 120.64 110.90 3ifs n GLU 248 Ca -0.01 -1.56 -0.31 0.00 -0.42 0.00 0.00 57.16 54.86 3ifs n GLU 248 Cb 0.10 -1.20 -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 -0.90 4.64 0.44 1.62 3.84 -0.79 -4.95 114.94 118.84 3ifs s ASN 249 Ca 0.16 -2.25 0.11 0.00 0.21 0.00 0.00 52.86 51.08 3ifs s ASN 249 Cb 0.09 -1.57 0.99 0.00 -0.55 0.00 0.00 41.25 40.21 3ifs s ASN 249 CO 0.12 -0.36 2.05 -0.65 -2.79 0.00 0.00 177.10 175.48 3ifs h PRO 250 N 7.47 0.40 -0.58 0.43 0.11 -1.88 -1.46 132.00 136.48 3ifs h PRO 250 Ca -0.05 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.93 3ifs h PRO 250 Cb 1.00 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 3ifs h PRO 250 CO 0.54 0.26 -0.05 0.00 -0.21 0.00 0.00 178.00 178.55 3ifs h ALA 251 N 1.77 0.81 -0.02 -0.75 0.00 -1.94 -2.11 119.26 117.03 3ifs h ALA 251 Ca 0.16 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 3ifs h ALA 251 Cb 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3ifs h ALA 251 CO -0.04 0.67 -0.68 1.88 0.00 0.00 0.00 179.25 181.08 3ifs h TYR 252 N 0.95 0.11 -0.49 0.00 0.05 -1.69 -2.53 116.97 113.38 3ifs h TYR 252 Ca 0.16 -0.05 -0.04 0.00 0.05 0.00 0.00 58.73 58.85 3ifs h TYR 252 Cb 0.61 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.32 3ifs h TYR 252 CO 0.04 0.73 0.14 1.96 -1.05 0.00 0.00 178.16 179.99 3ifs h GLN 253 N 0.05 0.76 -0.62 4.88 4.20 -1.10 -0.51 115.11 122.78 3ifs h GLN 253 Ca -0.01 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.53 3ifs h GLN 253 Cb 1.21 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.85 3ifs h GLN 253 CO 0.09 0.73 0.41 -0.92 -0.67 0.00 0.00 178.83 178.47 3ifs h TYR 254 N 0.66 0.78 -0.60 2.96 3.20 -1.28 -0.14 116.97 122.55 3ifs h TYR 254 Ca 0.16 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 3ifs h TYR 254 Cb 0.29 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 3ifs h TYR 254 CO 0.02 0.49 0.29 0.00 -1.64 0.00 0.00 178.16 177.32 3ifs h ALA 255 N 1.22 0.77 -0.14 1.82 0.00 -1.17 -0.54 119.26 121.23 3ifs h ALA 255 Ca 0.23 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3ifs h ALA 255 Cb -0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3ifs h ALA 255 CO -0.05 0.33 0.02 0.28 0.00 0.00 0.00 179.25 179.83 3ifs h VAL 256 N 0.82 1.22 -0.53 0.00 2.07 -0.84 -2.47 116.25 116.51 3ifs h VAL 256 Ca 0.21 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 67.03 3ifs h VAL 256 Cb 0.11 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 3ifs h VAL 256 CO -0.03 0.21 0.34 0.58 0.02 0.00 0.00 177.57 178.69 3ifs h VAL 257 N 0.01 1.11 -0.38 2.57 2.07 -0.88 -0.70 116.25 120.04 3ifs h VAL 257 Ca 0.04 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.37 3ifs h VAL 257 Cb 0.30 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 3ifs h VAL 257 CO 0.00 0.13 0.12 0.03 0.02 0.00 0.00 177.57 177.87 3ifs h ARG 258 N 0.69 0.27 -0.36 1.57 3.08 -1.07 -0.78 114.38 117.77 3ifs h ARG 258 Ca 0.20 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.15 3ifs h ARG 258 Cb -0.04 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3ifs h ARG 258 CO -0.06 0.18 -0.13 -0.91 -1.07 0.00 0.00 179.97 177.97 3ifs h ASN 259 N 0.28 0.63 -0.29 7.04 2.35 -1.15 -1.18 115.58 123.25 3ifs h ASN 259 Ca 0.17 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 3ifs h ASN 259 Cb 0.16 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3ifs h ASN 259 CO -0.18 0.79 0.07 0.00 -1.65 0.00 0.00 177.43 176.45 3ifs h ALA 260 N 1.27 0.38 -0.83 -0.83 0.00 -0.72 -2.38 119.26 116.16 3ifs h ALA 260 Ca 0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3ifs h ALA 260 Cb 0.57 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3ifs h ALA 260 CO 0.04 0.05 0.40 -0.07 0.00 0.00 0.00 179.25 179.67 3ifs h LEU 261 N 0.30 1.09 -1.03 0.00 3.38 -0.98 -2.19 115.31 115.87 3ifs h LEU 261 Ca 0.09 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.97 3ifs h LEU 261 Cb 0.30 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 3ifs h LEU 261 CO 0.00 0.91 0.65 0.22 0.09 0.00 0.00 178.44 180.31 3ifs h TYR 262 N 1.18 1.21 0.00 1.13 3.20 -1.14 -0.93 116.97 121.62 3ifs h TYR 262 Ca 0.29 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.19 3ifs h TYR 262 Cb 0.11 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 37.98 3ifs h TYR 262 CO 0.01 0.68 0.00 -0.91 -1.64 0.00 0.00 178.16 176.30 3ifs h ASN 263 N 1.23 0.00 0.00 -2.11 2.35 -0.87 -1.59 115.58 114.59 3ifs h ASN 263 Ca 0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.15 3ifs h ASN 263 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3ifs h ASN 263 CO -0.13 0.00 -0.01 0.29 -1.65 0.00 0.00 177.43 175.93 3ifs n LYS 264 N -2.99 1.49 -0.26 0.81 5.02 -0.45 -4.92 118.16 116.85 3ifs n LYS 264 Ca 0.01 -0.74 0.00 0.00 -2.02 0.00 0.00 58.31 55.56 3ifs n LYS 264 Cb 0.30 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 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 1.15 0.86 3.41 0.72 0.00 -0.60 -5.02 105.19 105.71 3ifs n GLY 265 Ca 0.20 -0.13 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.64 3.46 0.00 1.61 -0.14 -0.61 -4.58 119.74 118.85 3ifs s LYS 266 Ca 0.00 -1.74 0.24 0.00 -1.36 0.00 0.00 55.97 53.11 3ifs s LYS 266 Cb 0.00 -4.65 0.36 0.00 -1.68 0.00 0.00 37.83 31.86 3ifs s LYS 266 CO 0.00 -1.64 1.36 0.25 -0.76 0.00 0.00 175.35 174.55 3ifs n THR 267 N 5.24 0.12 -4.46 2.17 -2.24 -0.32 -3.76 114.28 111.03 3ifs n THR 267 Ca 0.14 -0.52 -0.29 0.00 -2.27 0.00 0.00 64.05 61.11 3ifs n THR 267 Cb 0.47 1.23 -0.17 0.00 -2.10 0.00 0.00 70.33 69.77 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 -1.88 1.56 0.00 2.28 1.01 -0.62 -0.47 121.20 123.08 3ifs s ILE 268 Ca 0.32 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.29 3ifs s ILE 268 Cb 0.21 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 41.26 3ifs s ILE 268 CO 0.31 0.45 0.00 1.21 0.00 0.00 0.00 174.94 176.91 3ifs n GLU 269 N 4.21 1.92 -3.66 2.79 2.13 -0.45 -1.41 120.64 126.17 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 -0.70 -0.02 4.31 2.96 -0.24 -0.25 118.68 124.73 3ifs s LEU 271 Ca 0.00 1.13 0.02 0.00 -0.22 0.00 0.00 54.13 55.06 3ifs s LEU 271 Cb 0.00 1.60 -0.03 0.00 0.50 0.00 0.00 46.19 48.25 3ifs s LEU 271 CO 0.00 -0.23 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.12 3ifs s ILE 272 N 2.49 3.80 0.19 6.68 -1.09 0.58 -1.64 121.20 132.21 3ifs s ILE 272 Ca -0.04 -0.63 0.03 0.00 -2.23 0.00 0.00 60.65 57.79 3ifs s ILE 272 Cb -0.11 -2.63 -0.05 0.00 -1.58 0.00 0.00 42.46 38.09 3ifs s ILE 272 CO -0.14 0.46 -0.03 0.54 -1.23 0.00 0.00 174.94 174.54 3ifs s ASN 273 N -1.24 1.64 -0.08 3.58 2.20 -1.03 -0.40 114.94 119.61 3ifs s ASN 273 Ca 0.16 -1.15 0.11 0.00 -0.94 0.00 0.00 52.86 51.04 3ifs s ASN 273 Cb -0.11 0.04 0.17 0.00 -2.00 0.00 0.00 41.25 39.35 3ifs s ASN 273 CO 0.06 -0.48 1.06 -1.22 -2.94 0.00 0.00 177.10 173.58 3ifs n TYR 274 N -0.31 0.00 -3.71 1.54 4.02 -1.26 -0.49 117.16 116.95 3ifs n TYR 274 Ca -0.07 -0.71 -0.25 0.00 -0.01 0.00 0.00 57.90 56.87 3ifs n TYR 274 Cb 0.63 -0.11 -0.17 0.00 -0.02 0.00 0.00 39.34 39.67 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 -1.93 0.41 0.58 -0.72 0.41 -1.26 -4.76 118.70 111.43 3ifs s GLU 275 Ca 0.19 -0.06 0.28 0.00 -0.41 0.00 0.00 54.97 54.97 3ifs s GLU 275 Cb 0.17 -1.45 1.58 0.00 -1.78 0.00 0.00 34.13 32.65 3ifs s GLU 275 CO 0.02 -0.49 2.06 -1.00 -0.49 0.00 0.00 175.26 175.36 3ifs h PRO 276 N 8.34 0.00 0.00 0.39 0.13 -1.93 -0.59 132.00 138.34 3ifs h PRO 276 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 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 0.27 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.04 3ifs h ALA 277 N 1.72 1.00 -0.03 -0.56 0.00 -1.96 -1.95 119.26 117.48 3ifs h ALA 277 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ifs h ALA 277 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 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 -2.60 1.15 -0.05 0.00 4.77 -0.23 -4.44 117.00 115.59 3ifs n LEU 278 Ca -0.02 -0.40 -0.07 0.00 -0.03 0.00 0.00 56.01 55.49 3ifs n LEU 278 Cb 0.08 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 3ifs n LEU 278 CO 0.15 0.20 0.76 -0.61 -1.33 0.00 0.00 177.39 176.57 3ifs h GLN 279 N 1.75 -0.11 0.00 3.23 4.15 -1.54 -1.81 115.11 120.78 3ifs h GLN 279 Ca 0.00 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.37 3ifs h GLN 279 Cb 0.37 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 3ifs h GLN 279 CO 0.00 -0.07 -0.29 1.88 -1.93 0.00 0.00 178.83 178.42 3ifs h TYR 280 N -0.12 0.00 -0.57 3.99 0.05 -1.84 -2.31 116.97 116.18 3ifs h TYR 280 Ca 0.13 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.88 3ifs h TYR 280 Cb 0.32 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.03 3ifs h TYR 280 CO -0.31 0.29 0.21 0.35 -1.05 0.00 0.00 178.16 177.64 3ifs h PHE 281 N 0.00 0.84 -0.27 4.88 3.57 -1.60 -1.06 116.94 123.30 3ifs h PHE 281 Ca -0.00 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.38 3ifs h PHE 281 Cb 0.69 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 3ifs h PHE 281 CO 0.00 0.66 -0.11 0.00 -2.23 0.00 0.00 178.31 176.62 3ifs h ALA 282 N 1.42 1.31 -0.46 2.41 0.00 -0.83 -0.37 119.26 122.73 3ifs h ALA 282 Ca 0.19 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3ifs h ALA 282 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3ifs h ALA 282 CO -0.02 0.46 -0.10 0.93 0.00 0.00 0.00 179.25 180.53 3ifs h GLU 283 N 0.42 0.88 -0.82 0.00 4.39 -1.02 -0.26 114.58 118.16 3ifs h GLU 283 Ca 0.08 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 3ifs h GLU 283 Cb 0.46 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.02 3ifs h GLU 283 CO 0.03 0.97 0.45 2.35 -1.16 0.00 0.00 179.01 181.65 3ifs h TRP 284 N 0.71 1.12 -0.54 4.33 7.01 -0.80 -2.01 115.95 125.77 3ifs h TRP 284 Ca 0.12 -0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.02 3ifs h TRP 284 Cb 0.65 -0.36 -0.02 0.00 -2.10 0.00 0.00 29.16 27.33 3ifs h TRP 284 CO 0.05 0.78 0.05 2.35 -2.79 0.00 0.00 178.44 178.87 3ifs h TRP 285 N 1.13 1.00 -0.64 2.65 7.01 -0.79 -1.40 115.95 124.91 3ifs h TRP 285 Ca 0.29 -0.16 0.02 0.00 2.11 0.00 0.00 58.89 61.16 3ifs h TRP 285 Cb 0.02 -0.27 -0.04 0.00 -2.10 0.00 0.00 29.16 26.78 3ifs h TRP 285 CO 0.00 0.90 0.40 0.87 -2.79 0.00 0.00 178.44 177.83 3ifs h LYS 286 N 0.81 0.77 -0.43 2.65 1.57 -0.69 -0.62 116.57 120.63 3ifs h LYS 286 Ca 0.16 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 3ifs h LYS 286 Cb 0.47 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3ifs h LYS 286 CO 0.02 0.51 0.06 0.37 -0.57 0.00 0.00 179.45 179.84 3ifs h GLN 287 N 0.79 0.71 0.45 3.15 4.15 -1.24 0.19 115.11 123.31 3ifs h GLN 287 Ca 0.25 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 3ifs h GLN 287 Cb 0.00 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 3ifs h GLN 287 CO -0.10 0.75 -0.42 1.25 -1.93 0.00 0.00 178.83 178.39 3ifs h LEU 288 N 0.57 -1.13 -0.04 -2.39 5.85 -0.61 -1.00 115.31 116.56 3ifs h LEU 288 Ca 0.13 0.09 -0.26 0.00 0.84 0.00 0.00 57.88 58.68 3ifs h LEU 288 Cb 0.39 0.37 0.02 0.00 0.37 0.00 0.00 40.66 41.81 3ifs h LEU 288 CO 0.01 -0.58 -1.05 -0.26 -0.34 0.00 0.00 178.44 176.22 3ifs h PHE 289 N -0.88 0.88 -0.23 1.25 0.04 -1.18 -2.65 116.94 114.17 3ifs h PHE 289 Ca -0.04 -0.49 -0.00 0.00 2.80 0.00 0.00 57.97 60.23 3ifs h PHE 289 Cb 0.77 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.81 3ifs h PHE 289 CO -0.21 1.33 0.13 0.78 -0.60 0.00 0.00 178.31 179.73 3ifs h GLY 290 N 0.72 0.34 1.81 -1.45 0.00 -0.61 -1.53 103.07 102.34 3ifs h GLY 290 Ca -0.12 -0.15 -0.19 0.00 0.00 0.00 0.00 47.33 46.86 3ifs h GLY 290 CO 0.20 0.15 -0.85 0.83 0.00 0.00 0.00 176.54 176.87 3ifs h GLU 291 N 0.26 0.18 -0.13 4.80 5.08 -1.30 -1.44 114.58 122.02 3ifs h GLU 291 Ca 0.08 -0.19 -0.19 0.00 -1.00 0.00 0.00 59.36 58.06 3ifs h GLU 291 Cb 0.06 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3ifs h GLU 291 CO -0.01 0.92 -0.71 0.77 -1.00 0.00 0.00 179.01 178.98 3ifs h SER 292 N 0.10 0.67 0.00 1.42 0.02 -1.40 -3.38 113.55 110.98 3ifs h SER 292 Ca -0.04 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3ifs h SER 292 Cb 1.46 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.81 3ifs h SER 292 CO 0.13 1.18 -0.49 -0.62 -1.14 0.00 0.00 176.83 175.89 3ifs n GLU 293 N -3.90 3.76 -2.03 3.45 1.02 -0.58 -4.26 120.64 118.10 3ifs n GLU 293 Ca -0.05 -0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.66 3ifs n GLU 293 Cb 0.70 -0.95 0.00 0.00 -0.02 0.00 0.00 31.44 31.17 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 1.25 4.24 3.41 0.62 0.00 -0.54 -4.09 105.19 110.09 3ifs n GLY 294 Ca 0.02 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 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 2.57 1.23 -1.47 1.61 -2.85 -1.21 -4.88 119.74 114.74 3ifs s LYS 295 Ca 0.46 -0.97 -0.01 0.00 -1.00 0.00 0.00 55.97 54.45 3ifs s LYS 295 Cb 0.11 0.45 0.00 0.00 -2.06 0.00 0.00 37.83 36.34 3ifs s LYS 295 CO -0.04 -0.49 0.10 -0.25 0.10 0.00 0.00 175.35 174.77 3ifs n ASP 296 N -0.27 -5.10 -2.75 0.03 8.00 -1.26 -1.54 116.55 113.66 3ifs n ASP 296 Ca -0.10 0.01 -0.21 0.00 0.71 0.00 0.00 54.79 55.20 3ifs n ASP 296 Cb 0.63 -4.25 0.03 0.00 -0.02 0.00 0.00 41.12 37.51 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 -3.10 -4.35 -4.40 -1.24 3.00 -1.26 -5.00 117.38 101.02 3ifs n GLN 297 Ca -0.18 0.85 -0.21 0.00 -0.01 0.00 0.00 57.00 57.45 3ifs n GLN 297 Cb 0.64 -5.56 -0.09 0.00 0.00 0.00 0.00 30.24 25.24 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 -5.57 1.68 0.00 -1.09 1.02 -0.59 -5.15 119.74 110.05 3ifs s LYS 298 Ca 0.26 -1.97 0.00 0.00 0.02 0.00 0.00 55.97 54.28 3ifs s LYS 298 Cb -0.12 -0.35 0.00 0.00 -0.52 0.00 0.00 37.83 36.85 3ifs s LYS 298 CO 0.32 -0.41 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 3ifs n GLY 299 N -0.68 2.95 3.72 -3.33 0.00 -1.26 -3.32 105.19 103.28 3ifs n GLY 299 Ca -0.01 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.39 2.91 -0.13 -0.61 1.01 -1.26 -4.96 121.20 116.76 3ifs s ILE 300 Ca 0.00 0.67 -0.29 0.00 0.00 0.00 0.00 60.65 61.02 3ifs s ILE 300 Cb 0.00 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 39.03 3ifs s ILE 300 CO 0.00 0.06 1.16 0.12 0.00 0.00 0.00 174.94 176.28 3ifs s PHE 301 N 0.93 3.16 -0.18 3.97 5.36 0.38 -4.84 117.98 126.76 3ifs s PHE 301 Ca 0.66 1.26 -0.22 0.00 -0.96 0.00 0.00 56.93 57.67 3ifs s PHE 301 Cb -0.41 -3.38 -0.02 0.00 -0.34 0.00 0.00 43.02 38.87 3ifs s PHE 301 CO 0.33 -1.09 0.69 -1.25 -1.46 0.00 0.00 175.22 172.44 3ifs s PRO 302 N 2.79 4.25 0.35 10.12 0.04 -1.26 -1.34 135.00 149.94 3ifs s PRO 302 Ca 0.52 0.75 0.03 0.00 0.04 0.00 0.00 61.00 62.34 3ifs s PRO 302 Cb -0.21 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 3ifs s PRO 302 CO 0.16 -0.24 0.11 0.45 0.04 0.00 0.00 177.00 177.52 3ifs s SER 303 N 1.15 2.24 0.15 6.66 0.15 0.65 -4.97 113.70 119.73 3ifs s SER 303 Ca 0.32 -1.54 -0.19 0.00 0.70 0.00 0.00 55.95 55.24 3ifs s SER 303 Cb -0.16 0.29 0.05 0.00 -1.71 0.00 0.00 66.02 64.49 3ifs s SER 303 CO 0.11 -0.82 0.49 -0.94 1.20 0.00 0.00 173.24 173.29 3ifs s SER 304 N -3.49 -0.37 0.00 5.45 1.04 -1.26 -1.08 113.70 113.99 3ifs s SER 304 Ca 0.31 -0.21 -0.14 0.00 0.48 0.00 0.00 55.95 56.38 3ifs s SER 304 Cb 0.05 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.73 3ifs s SER 304 CO 0.15 -0.92 0.31 0.00 0.98 0.00 0.00 173.24 173.76 3ifs s ALA 305 N -3.79 -0.75 -0.32 5.32 0.00 -0.65 -4.88 121.76 116.69 3ifs s ALA 305 Ca 0.03 0.24 -0.06 0.00 0.00 0.00 0.00 51.96 52.17 3ifs s ALA 305 Cb 0.00 0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.29 3ifs s ALA 305 CO -0.11 -0.30 0.08 -0.80 0.00 0.00 0.00 175.76 174.62 3ifs s ASN 306 N -1.51 5.15 0.27 0.00 0.01 -1.26 -2.45 114.94 115.15 3ifs s ASN 306 Ca -0.12 -1.03 0.06 0.00 -0.71 0.00 0.00 52.86 51.07 3ifs s ASN 306 Cb -0.04 -1.84 -0.03 0.00 0.41 0.00 0.00 41.25 39.75 3ifs s ASN 306 CO 0.02 -0.27 0.32 -0.36 -1.51 0.00 0.00 177.10 175.30 3ifs s PHE 307 N 1.41 3.21 -1.93 2.20 0.08 0.35 -0.00 117.98 123.30 3ifs s PHE 307 Ca -0.01 -0.12 0.30 0.00 0.12 0.00 0.00 56.93 57.22 3ifs s PHE 307 Cb -0.19 -1.62 1.77 0.00 -0.57 0.00 0.00 43.02 42.42 3ifs s PHE 307 CO 0.02 0.36 2.13 -1.13 -0.10 0.00 0.00 175.22 176.49 3ifs n SER 308 N -1.37 0.00 -0.19 1.36 3.41 -1.26 -4.04 113.62 111.53 3ifs n SER 308 Ca -0.06 -0.85 -0.05 0.00 -0.26 0.00 0.00 58.87 57.65 3ifs n SER 308 Cb 0.58 -0.03 0.01 0.00 -0.26 0.00 0.00 64.21 64.50 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 0.20 0.00 6.66 2.02 -1.93 -1.05 112.91 118.81 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 0.03 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 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 0.15 4.18 8.00 1.00 -2.53 116.55 121.92 3ifs n ASP 310 Ca 0.04 -0.96 0.13 0.00 0.71 0.00 0.00 54.79 54.71 3ifs n ASP 310 Cb 0.35 0.00 0.47 0.00 -0.02 0.00 0.00 41.12 41.92 3ifs n ASP 310 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3ifs h LEU 311 N 0.00 0.00 -2.25 0.64 3.38 -1.43 0.24 115.31 115.88 3ifs h LEU 311 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ifs h LEU 311 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3ifs h LEU 311 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.94 3ifs n HIS 312 N -2.42 0.62 0.02 1.13 8.25 -1.05 -3.06 115.22 118.71 3ifs n HIS 312 Ca 0.03 -0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.18 3ifs n HIS 312 Cb 0.32 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.43 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 1.37 0.10 -0.32 0.41 3.41 -0.96 -4.89 113.62 112.74 3ifs n SER 313 Ca 0.20 0.07 0.08 0.00 -0.26 0.00 0.00 58.87 58.96 3ifs n SER 313 Cb 0.56 0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.51 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 -2.91 1.53 -0.19 1.04 4.77 0.75 -4.64 117.00 117.36 3ifs n LEU 314 Ca 0.00 -0.73 -0.00 0.00 -0.03 0.00 0.00 56.01 55.25 3ifs n LEU 314 Cb 0.19 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.38 3ifs n LEU 314 CO 0.00 0.30 0.90 1.23 -1.33 0.00 0.00 177.39 178.49 3ifs h GLY 315 N 3.60 0.70 0.63 -0.72 0.00 -1.26 0.49 103.07 106.50 3ifs h GLY 315 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 3ifs h GLY 315 CO 0.00 -0.12 0.03 -1.61 0.00 0.00 0.00 176.54 174.85 3ifs h GLN 316 N 0.22 0.12 -0.31 4.80 5.75 -1.82 -1.84 115.11 122.04 3ifs h GLN 316 Ca 0.30 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.77 3ifs h GLN 316 Cb 0.44 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.95 3ifs h GLN 316 CO -0.40 0.08 0.10 -0.92 -2.65 0.00 0.00 178.83 175.04 3ifs h TYR 317 N 0.13 0.49 -0.79 3.99 3.20 -1.61 -0.46 116.97 121.92 3ifs h TYR 317 Ca 0.13 -0.05 0.05 0.00 3.14 0.00 0.00 58.73 62.00 3ifs h TYR 317 Cb 0.15 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.23 3ifs h TYR 317 CO -0.18 0.50 0.52 0.28 -1.64 0.00 0.00 178.16 177.63 3ifs h VAL 318 N 0.34 1.09 0.09 1.81 2.07 -0.81 0.67 116.25 121.51 3ifs h VAL 318 Ca 0.10 -0.32 -0.28 0.00 0.82 0.00 0.00 66.70 67.02 3ifs h VAL 318 Cb 0.24 0.08 0.03 0.00 -1.52 0.00 0.00 31.29 30.11 3ifs h VAL 318 CO -0.00 0.17 -1.17 -0.61 0.02 0.00 0.00 177.57 175.98 3ifs h GLN 319 N 0.93 0.63 0.00 1.57 5.75 -1.01 -3.42 115.11 119.56 3ifs h GLN 319 Ca 0.33 -0.80 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 3ifs h GLN 319 Cb 0.11 0.26 0.00 0.00 1.07 0.00 0.00 27.48 28.92 3ifs h GLN 319 CO -0.10 1.36 -0.01 0.39 -2.65 0.00 0.00 178.83 177.82 3ifs n GLU 320 N -3.84 1.01 0.00 1.69 1.02 -0.21 -4.77 120.64 115.54 3ifs n GLU 320 Ca -0.13 -0.86 0.00 0.00 -0.02 0.00 0.00 57.16 56.15 3ifs n GLU 320 Cb 0.95 -0.68 0.00 0.00 -0.02 0.00 0.00 31.44 31.69 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 -0.18 0.01 3.73 0.62 0.00 0.22 -4.98 105.19 104.60 3ifs n GLY 321 Ca 0.00 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 3ifs n GLY 321 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ifs n ARG 322 N 0.00 1.43 -2.29 1.61 1.74 -1.26 -4.91 116.66 112.98 3ifs n ARG 322 Ca 0.00 0.54 -0.40 0.00 -0.77 0.00 0.00 57.85 57.22 3ifs n ARG 322 Cb 0.00 -2.54 0.01 0.00 -1.02 0.00 0.00 32.46 28.91 3ifs n ARG 322 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3ifs n ARG 323 N -1.35 4.67 -0.11 5.56 5.12 -1.26 -4.46 116.66 124.83 3ifs n ARG 323 Ca 0.13 -4.03 0.06 0.00 -1.93 0.00 0.00 57.85 52.07 3ifs n ARG 323 Cb 0.46 -2.47 0.11 0.00 -1.16 0.00 0.00 32.46 29.40 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 0.43 2.53 -4.59 0.55 8.00 -1.26 -4.81 116.55 117.40 3ifs n ASP 324 Ca 0.52 -2.54 -0.27 0.00 0.71 0.00 0.00 54.79 53.22 3ifs n ASP 324 Cb 0.27 -0.27 -0.09 0.00 -0.02 0.00 0.00 41.12 41.02 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 -1.94 3.05 0.03 0.64 1.43 -1.26 -1.18 118.68 119.45 3ifs s LEU 325 Ca 0.21 -0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 3ifs s LEU 325 Cb 0.17 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 3ifs s LEU 325 CO 0.05 0.10 -0.02 0.72 0.23 0.00 0.00 176.35 177.42 3ifs s PHE 326 N -1.73 0.35 0.03 0.29 -0.12 -0.50 -4.29 117.98 112.01 3ifs s PHE 326 Ca 0.26 -0.72 0.08 0.00 -0.05 0.00 0.00 56.93 56.50 3ifs s PHE 326 Cb -0.09 -0.26 -0.03 0.00 -0.63 0.00 0.00 43.02 42.02 3ifs s PHE 326 CO 0.16 -0.27 -0.23 -1.21 -0.05 0.00 0.00 175.22 173.62 3ifs s GLU 327 N -2.39 1.96 -0.22 1.99 2.02 -0.33 -4.27 118.70 117.46 3ifs s GLU 327 Ca -0.07 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 53.89 3ifs s GLU 327 Cb -0.03 -2.08 0.05 0.00 0.10 0.00 0.00 34.13 32.18 3ifs s GLU 327 CO -0.04 0.53 -0.06 0.99 0.02 0.00 0.00 175.26 176.70 3ifs s THR 328 N -0.82 1.45 -0.24 3.63 2.01 -1.26 -0.44 115.64 119.97 3ifs s THR 328 Ca 0.12 -1.08 -0.11 0.00 0.31 0.00 0.00 61.69 60.93 3ifs s THR 328 Cb -0.10 -1.68 -0.05 0.00 0.01 0.00 0.00 72.50 70.67 3ifs s THR 328 CO 0.03 -0.04 0.18 -0.69 -0.69 0.00 0.00 174.62 173.41 3ifs s VAL 329 N 1.45 5.34 -0.49 3.82 1.01 0.78 -0.30 120.40 132.00 3ifs s VAL 329 Ca -0.04 0.22 -0.24 0.00 0.00 0.00 0.00 61.98 61.92 3ifs s VAL 329 Cb -0.18 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.71 3ifs s VAL 329 CO -0.07 0.33 0.88 -0.76 0.00 0.00 0.00 175.10 175.49 3ifs s LEU 330 N 1.13 4.13 -0.26 3.92 1.43 0.47 -0.76 118.68 128.74 3ifs s LEU 330 Ca 0.08 -0.14 -0.06 0.00 -1.03 0.00 0.00 54.13 52.98 3ifs s LEU 330 Cb -0.14 -2.98 -0.01 0.00 0.03 0.00 0.00 46.19 43.09 3ifs s LEU 330 CO 0.05 -1.07 0.05 -0.75 0.23 0.00 0.00 176.35 174.86 3ifs s LYS 331 N 3.67 3.43 -0.14 1.70 2.47 -0.52 -4.20 119.74 126.15 3ifs s LYS 331 Ca 0.32 -0.62 -0.21 0.00 -1.56 0.00 0.00 55.97 53.90 3ifs s LYS 331 Cb -0.12 -3.28 -0.03 0.00 -1.46 0.00 0.00 37.83 32.94 3ifs s LYS 331 CO 0.22 -0.27 0.63 0.08 0.16 0.00 0.00 175.35 176.18 3ifs s VAL 332 N 1.55 5.06 0.02 4.02 1.01 -1.26 -0.45 120.40 130.36 3ifs s VAL 332 Ca 0.05 1.24 -0.22 0.00 0.00 0.00 0.00 61.98 63.05 3ifs s VAL 332 Cb -0.16 -3.96 -0.16 0.00 0.00 0.00 0.00 36.38 32.11 3ifs s VAL 332 CO 0.02 0.19 1.34 1.23 0.00 0.00 0.00 175.10 177.88 3ifs h GLY 333 N 7.48 0.25 -5.68 4.51 0.00 -0.37 -3.44 103.07 105.82 3ifs h GLY 333 Ca -0.36 -0.25 -0.62 0.00 0.00 0.00 0.00 47.33 46.10 3ifs h GLY 333 CO 0.77 0.22 -0.85 1.25 0.00 0.00 0.00 176.54 177.92 3ifs s LYS 334 N -4.37 2.58 0.34 4.80 2.47 -0.21 -5.02 119.74 120.34 3ifs s LYS 334 Ca -0.15 -0.71 -0.26 0.00 -1.56 0.00 0.00 55.97 53.30 3ifs s LYS 334 Cb 0.04 -2.06 -0.10 0.00 -1.46 0.00 0.00 37.83 34.26 3ifs s LYS 334 CO 0.72 0.05 0.98 0.45 0.16 0.00 0.00 175.35 177.71 3ifs s SER 335 N 0.67 7.17 0.20 1.43 0.15 -1.26 -4.52 113.70 117.53 3ifs s SER 335 Ca -0.12 1.91 -0.11 0.00 0.70 0.00 0.00 55.95 58.32 3ifs s SER 335 Cb -0.16 -2.58 0.13 0.00 -1.71 0.00 0.00 66.02 61.70 3ifs s SER 335 CO 0.03 -0.19 1.87 0.74 1.20 0.00 0.00 173.24 176.88 3ifs h THR 336 N 2.50 1.17 -3.81 6.45 2.02 -2.00 -3.43 112.91 115.81 3ifs h THR 336 Ca -0.47 -0.31 -0.54 0.00 0.77 0.00 0.00 66.41 65.85 3ifs h THR 336 Cb 1.20 0.17 -0.21 0.00 -1.74 0.00 0.00 68.15 67.57 3ifs h THR 336 CO 0.64 0.17 -0.82 -1.00 0.37 0.00 0.00 175.52 174.88 3ifs s HIS 337 N -6.14 1.76 0.04 3.16 3.76 -1.26 -5.15 115.29 111.45 3ifs s HIS 337 Ca -0.13 -0.43 0.08 0.00 -0.15 0.00 0.00 55.06 54.43 3ifs s HIS 337 Cb 0.14 -0.95 -0.03 0.00 1.11 0.00 0.00 32.58 32.86 3ifs s HIS 337 CO 0.77 0.22 -0.24 -1.21 -0.85 0.00 0.00 174.74 173.42 3ifs s GLU 338 N -2.07 1.70 -0.03 1.40 0.41 -1.26 -4.95 118.70 113.90 3ifs s GLU 338 Ca 0.08 -1.03 0.01 0.00 -0.41 0.00 0.00 54.97 53.62 3ifs s GLU 338 Cb -0.09 -1.83 0.02 0.00 -1.78 0.00 0.00 34.13 30.45 3ifs s GLU 338 CO 0.04 0.47 -0.03 -0.51 -0.49 0.00 0.00 175.26 174.75 3ifs s LEU 339 N -1.13 1.47 -0.15 1.80 1.43 -1.26 -5.05 118.68 115.79 3ifs s LEU 339 Ca 0.10 -0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 3ifs s LEU 339 Cb -0.10 -0.29 -0.05 0.00 0.03 0.00 0.00 46.19 45.79 3ifs s LEU 339 CO 0.02 -0.04 0.20 -0.89 0.23 0.00 0.00 176.35 175.87 3ifs s THR 340 N 0.65 5.37 0.03 5.49 2.01 -1.26 -1.09 115.64 126.84 3ifs s THR 340 Ca -0.07 0.36 -0.30 0.00 0.31 0.00 0.00 61.69 61.98 3ifs s THR 340 Cb -0.10 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 3ifs s THR 340 CO -0.01 0.48 1.08 -0.63 -0.69 0.00 0.00 174.62 174.85 3ifs s ILE 341 N -0.07 4.48 0.05 1.82 1.01 0.16 -4.93 121.20 123.72 3ifs s ILE 341 Ca 0.14 1.79 0.01 0.00 0.00 0.00 0.00 60.65 62.59 3ifs s ILE 341 Cb -0.12 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 3ifs s ILE 341 CO 0.03 0.15 0.13 -1.61 0.00 0.00 0.00 174.94 173.63 3ifs s GLU 342 N 0.96 3.13 0.24 2.79 2.02 -1.26 -0.44 118.70 126.14 3ifs s GLU 342 Ca 0.55 -0.54 -0.22 0.00 0.02 0.00 0.00 54.97 54.77 3ifs s GLU 342 Cb -0.25 -2.88 -0.09 0.00 0.10 0.00 0.00 34.13 31.02 3ifs s GLU 342 CO 0.29 0.61 0.80 -1.54 0.02 0.00 0.00 175.26 175.43 3ifs s SER 343 N -2.25 7.19 0.33 -0.19 1.04 -1.26 -4.79 113.70 113.77 3ifs s SER 343 Ca 0.29 1.57 0.10 0.00 0.48 0.00 0.00 55.95 58.40 3ifs s SER 343 Cb -0.12 -2.48 -0.06 0.00 0.10 0.00 0.00 66.02 63.46 3ifs s SER 343 CO 0.22 0.03 -0.08 -1.83 0.98 0.00 0.00 173.24 172.56 3ifs s GLU 344 N -1.86 1.88 0.10 4.02 -1.05 -1.26 -5.06 118.70 115.47 3ifs s GLU 344 Ca 0.44 -1.84 -0.21 0.00 -0.15 0.00 0.00 54.97 53.21 3ifs s GLU 344 Cb -0.18 -1.79 -0.10 0.00 -0.44 0.00 0.00 34.13 31.62 3ifs s GLU 344 CO 0.23 0.18 1.71 1.05 0.95 0.00 0.00 175.26 179.38 3ifs h GLU 345 N 2.01 0.19 -4.87 -4.83 4.11 -2.05 -3.36 114.58 105.78 3ifs h GLU 345 Ca -0.42 -0.02 -0.69 0.00 0.07 0.00 0.00 59.36 58.30 3ifs h GLU 345 Cb 1.25 -0.04 -0.19 0.00 0.50 0.00 0.00 28.75 30.28 3ifs h GLU 345 CO 0.67 0.19 0.36 -0.80 0.07 0.00 0.00 179.01 179.51 3ifs s ASN 346 N -5.40 6.32 -0.20 3.06 -0.87 -1.26 -4.90 114.94 111.69 3ifs s ASN 346 Ca -0.13 -1.55 0.01 0.00 -1.57 0.00 0.00 52.86 49.61 3ifs s ASN 346 Cb 0.07 -2.34 0.21 0.00 -0.02 0.00 0.00 41.25 39.17 3ifs s ASN 346 CO 0.69 -1.14 1.61 -0.67 -2.57 0.00 0.00 177.10 175.02 3ifs n ASP 347 N 6.52 4.46 -0.21 -1.22 2.03 -1.26 -4.49 116.55 122.38 3ifs n ASP 347 Ca 0.00 -2.72 0.04 0.00 0.52 0.00 0.00 54.79 52.63 3ifs n ASP 347 Cb 0.45 -0.81 0.30 0.00 -0.72 0.00 0.00 41.12 40.34 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 1.65 0.77 0.00 -2.67 3.38 -1.95 0.16 115.31 116.65 3ifs h LEU 348 Ca 0.23 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3ifs h LEU 348 Cb 1.39 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3ifs h LEU 348 CO 0.48 0.52 0.00 -0.90 0.09 0.00 0.00 178.44 178.63 3ifs n ASP 349 N -4.46 0.00 -1.50 -0.43 5.68 -1.26 -4.90 116.55 109.68 3ifs n ASP 349 Ca 0.10 0.33 -0.13 0.00 -0.50 0.00 0.00 54.79 54.59 3ifs n ASP 349 Cb 0.14 -0.43 -0.01 0.00 -1.14 0.00 0.00 41.12 39.68 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 0.65 -0.09 0.82 6.12 0.00 0.56 -4.93 105.19 108.32 3ifs n GLY 350 Ca 0.07 -0.33 0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.90 2.70 0.28 0.99 4.32 -1.26 -4.51 117.00 117.63 3ifs n LEU 351 Ca -0.16 -0.95 0.17 0.00 -0.02 0.00 0.00 56.01 55.05 3ifs n LEU 351 Cb 0.61 0.00 0.95 0.00 -1.62 0.00 0.00 43.42 43.36 3ifs n LEU 351 CO 0.19 0.46 1.14 0.78 -1.22 0.00 0.00 177.39 178.74 3ifs h ASN 352 N 4.02 0.00 0.36 -1.43 2.35 -1.92 0.18 115.58 119.15 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 0.90 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.27 3ifs h ASN 352 CO 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 3ifs n TYR 353 N -3.68 0.58 1.00 1.19 4.11 -1.26 -1.16 117.16 117.94 3ifs n TYR 353 Ca -0.02 0.26 0.12 0.00 -0.00 0.00 0.00 57.90 58.26 3ifs n TYR 353 Cb 0.15 -0.92 0.30 0.00 -0.00 0.00 0.00 39.34 38.87 3ifs n TYR 353 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 3ifs n LEU 354 N -2.06 2.40 -4.68 -3.48 4.77 0.05 -4.95 117.00 109.05 3ifs n LEU 354 Ca 0.01 -0.93 -0.45 0.00 -0.03 0.00 0.00 56.01 54.61 3ifs n LEU 354 Cb 0.13 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 3ifs n LEU 354 CO 0.13 0.46 1.34 0.00 -1.33 0.00 0.00 177.39 177.99 3ifs n ALA 355 N 0.83 1.73 0.00 -1.18 0.00 -0.31 -0.72 120.51 120.87 3ifs n ALA 355 Ca 0.17 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3ifs n ALA 355 Cb 0.47 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.46 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 3.86 0.74 3.92 0.00 0.00 0.41 -4.96 105.19 109.17 3ifs n GLY 356 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.83 3.54 0.37 1.61 0.41 0.11 -4.81 118.70 119.11 3ifs s GLU 357 Ca 0.00 -0.05 0.01 0.00 -0.41 0.00 0.00 54.97 54.52 3ifs s GLU 357 Cb 0.00 -2.55 -0.02 0.00 -1.78 0.00 0.00 34.13 29.78 3ifs s GLU 357 CO 0.00 0.03 0.57 0.95 -0.49 0.00 0.00 175.26 176.32 3ifs s THR 358 N -2.42 4.74 0.39 3.63 -4.23 -1.26 0.40 115.64 116.89 3ifs s THR 358 Ca 0.44 -0.53 0.12 0.00 -1.18 0.00 0.00 61.69 60.53 3ifs s THR 358 Cb -0.10 -3.73 0.13 0.00 1.34 0.00 0.00 72.50 70.15 3ifs s THR 358 CO 0.38 -0.46 1.89 0.58 -0.54 0.00 0.00 174.62 176.47 3ifs h VAL 359 N 0.68 1.20 0.00 2.29 2.07 -1.47 -2.35 116.25 118.67 3ifs h VAL 359 Ca -0.49 -0.95 -0.09 0.00 0.82 0.00 0.00 66.70 65.99 3ifs h VAL 359 Cb 1.23 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 3ifs h VAL 359 CO 0.60 0.28 -0.42 -0.78 0.02 0.00 0.00 177.57 177.26 3ifs h ASP 360 N 0.09 0.00 -0.37 0.57 3.58 -1.93 -1.47 116.42 116.89 3ifs h ASP 360 Ca 0.01 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 3ifs h ASP 360 Cb 0.49 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 3ifs h ASP 360 CO 0.03 0.42 0.23 0.15 -2.88 0.00 0.00 179.24 177.19 3ifs h PHE 361 N 0.00 0.48 -0.36 0.28 3.57 -1.81 0.66 116.94 119.76 3ifs h PHE 361 Ca -0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3ifs h PHE 361 Cb 0.76 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 3ifs h PHE 361 CO 0.00 0.34 0.18 0.28 -2.23 0.00 0.00 178.31 176.88 3ifs h VAL 362 N 0.48 1.16 -0.69 1.41 2.07 -1.39 -1.16 116.25 118.13 3ifs h VAL 362 Ca 0.13 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3ifs h VAL 362 Cb -0.01 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3ifs h VAL 362 CO -0.03 0.17 0.40 -1.13 0.02 0.00 0.00 177.57 177.00 3ifs h ASN 363 N 0.44 0.84 -0.38 0.57 -1.24 -0.95 0.27 115.58 115.13 3ifs h ASN 363 Ca 0.12 -0.05 -0.10 0.00 0.71 0.00 0.00 56.30 56.98 3ifs h ASN 363 Cb 0.10 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 3ifs h ASN 363 CO -0.02 0.66 -0.15 0.74 -1.29 0.00 0.00 177.43 177.37 3ifs h THR 364 N 0.96 1.28 0.00 -3.57 2.02 -0.43 -1.97 112.91 111.20 3ifs h THR 364 Ca 0.25 -1.27 -0.10 0.00 0.77 0.00 0.00 66.41 66.06 3ifs h THR 364 Cb -0.01 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 3ifs h THR 364 CO -0.04 0.42 -0.46 0.11 0.37 0.00 0.00 175.52 175.91 3ifs h LYS 365 N 0.58 0.00 -0.13 6.66 1.79 -0.74 -1.29 116.57 123.43 3ifs h LYS 365 Ca 0.09 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.55 3ifs h LYS 365 Cb 0.69 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.34 3ifs h LYS 365 CO 0.05 0.46 0.05 0.00 -1.08 0.00 0.00 179.45 178.93 3ifs h ALA 366 N 1.54 0.17 0.04 3.86 0.00 -0.70 -1.07 119.26 123.09 3ifs h ALA 366 Ca -0.00 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3ifs h ALA 366 Cb 0.84 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3ifs h ALA 366 CO 0.06 -0.23 -0.19 -0.92 0.00 0.00 0.00 179.25 177.97 3ifs h TYR 367 N 0.05 -0.50 -0.23 0.00 5.03 -1.09 -1.54 116.97 118.68 3ifs h TYR 367 Ca 0.04 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.37 3ifs h TYR 367 Cb 0.19 0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.68 3ifs h TYR 367 CO -0.01 -0.28 0.13 0.93 -1.32 0.00 0.00 178.16 177.62 3ifs h GLU 368 N -0.33 0.31 -0.55 1.82 5.08 -1.18 -0.48 114.58 119.25 3ifs h GLU 368 Ca 0.05 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3ifs h GLU 368 Cb 0.39 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3ifs h GLU 368 CO -0.15 0.25 0.06 0.78 -1.00 0.00 0.00 179.01 178.95 3ifs h GLY 369 N 0.28 0.97 1.15 -3.84 0.00 -1.17 -2.60 103.07 97.85 3ifs h GLY 369 Ca 0.08 -0.63 -0.19 0.00 0.00 0.00 0.00 47.33 46.60 3ifs h GLY 369 CO -0.01 0.58 -0.54 -0.84 0.00 0.00 0.00 176.54 175.73 3ifs h THR 370 N 0.84 1.27 -0.50 4.70 2.02 -1.14 -1.53 112.91 118.58 3ifs h THR 370 Ca 0.17 -1.72 0.01 0.00 0.77 0.00 0.00 66.41 65.64 3ifs h THR 370 Cb 0.42 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 3ifs h THR 370 CO 0.01 0.56 0.32 0.25 0.37 0.00 0.00 175.52 177.03 3ifs h LEU 371 N 0.68 0.54 -0.37 2.58 6.46 -0.98 0.19 115.31 124.41 3ifs h LEU 371 Ca 0.02 -0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.68 3ifs h LEU 371 Cb 1.15 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.95 3ifs h LEU 371 CO 0.12 0.38 -0.10 -0.07 -0.62 0.00 0.00 178.44 178.16 3ifs h LEU 372 N 0.64 0.73 0.03 2.25 3.38 -1.43 -1.33 115.31 119.58 3ifs h LEU 372 Ca 0.19 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3ifs h LEU 372 Cb -0.04 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3ifs h LEU 372 CO -0.06 0.93 -0.02 0.00 0.09 0.00 0.00 178.44 179.39 3ifs h ALA 373 N 0.82 -0.05 -0.89 1.53 0.00 -0.96 -0.16 119.26 119.56 3ifs h ALA 373 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3ifs h ALA 373 Cb 0.62 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3ifs h ALA 373 CO 0.04 -0.50 0.53 0.45 0.00 0.00 0.00 179.25 179.78 3ifs h HIS 374 N -0.11 1.18 -0.01 0.00 3.86 -0.58 -0.86 115.15 118.63 3ifs h HIS 374 Ca -0.00 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3ifs h HIS 374 Cb 0.09 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.17 3ifs h HIS 374 CO -0.06 0.79 -0.03 0.77 0.86 0.00 0.00 177.93 180.27 3ifs h SER 375 N 1.23 -0.08 -0.06 2.45 0.02 -1.05 -0.66 113.55 115.41 3ifs h SER 375 Ca 0.32 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.30 3ifs h SER 375 Cb -0.04 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 3ifs h SER 375 CO -0.06 -0.04 0.11 0.44 -1.14 0.00 0.00 176.83 176.14 3ifs h ASP 376 N -0.04 0.00 -0.12 3.07 3.32 -0.36 0.67 116.42 122.97 3ifs h ASP 376 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3ifs h ASP 376 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3ifs h ASP 376 CO -0.04 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.09 3ifs n GLY 377 N -1.27 0.26 0.20 2.75 0.00 -0.39 -4.93 105.19 101.81 3ifs n GLY 377 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 1.16 0.94 3.24 -0.02 0.00 0.23 -4.88 105.19 105.86 3ifs n GLY 378 Ca 0.17 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 3.60 0.25 1.61 1.01 -0.37 -4.92 120.40 119.58 3ifs s VAL 379 Ca 0.00 -1.31 -0.31 0.00 0.00 0.00 0.00 61.98 60.36 3ifs s VAL 379 Cb 0.00 -3.11 -0.12 0.00 0.00 0.00 0.00 36.38 33.15 3ifs s VAL 379 CO 0.00 -0.25 1.66 -2.65 0.00 0.00 0.00 175.10 173.86 3ifs n PRO 380 N 4.76 2.71 -4.19 2.72 -0.02 -1.26 -3.57 135.00 136.14 3ifs n PRO 380 Ca -0.11 0.97 -0.34 0.00 -2.02 0.00 0.00 63.50 62.00 3ifs n PRO 380 Cb 0.44 -2.78 -0.15 0.00 -0.02 0.00 0.00 33.50 30.98 3ifs n PRO 380 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3ifs s ASN 381 N 0.83 3.54 0.05 2.55 0.01 -1.26 -1.19 114.94 119.47 3ifs s ASN 381 Ca 0.70 -0.54 0.03 0.00 -0.71 0.00 0.00 52.86 52.34 3ifs s ASN 381 Cb -0.51 -1.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.55 3ifs s ASN 381 CO 0.40 0.02 0.01 -0.76 -1.51 0.00 0.00 177.10 175.26 3ifs s LEU 382 N 1.20 3.53 -0.06 0.60 1.43 0.42 -3.83 118.68 121.97 3ifs s LEU 382 Ca 0.02 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 3ifs s LEU 382 Cb -0.14 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.93 3ifs s LEU 382 CO -0.07 0.22 -0.18 -0.63 0.23 0.00 0.00 176.35 175.93 3ifs s ILE 383 N -1.22 1.52 -0.29 -0.59 1.01 -0.28 -0.16 121.20 121.20 3ifs s ILE 383 Ca 0.23 -0.74 -0.00 0.00 0.00 0.00 0.00 60.65 60.14 3ifs s ILE 383 Cb -0.12 -1.33 0.06 0.00 0.01 0.00 0.00 42.46 41.08 3ifs s ILE 383 CO 0.15 0.44 -0.02 -0.69 0.00 0.00 0.00 174.94 174.82 3ifs s VAL 384 N 0.25 2.75 -0.21 2.92 1.01 0.07 -0.73 120.40 126.46 3ifs s VAL 384 Ca -0.10 -1.51 -0.23 0.00 0.00 0.00 0.00 61.98 60.14 3ifs s VAL 384 Cb -0.14 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 3ifs s VAL 384 CO 0.04 -0.12 0.75 0.20 0.00 0.00 0.00 175.10 175.97 3ifs s ASN 385 N 1.22 6.81 -0.34 3.32 0.01 0.56 -1.43 114.94 125.08 3ifs s ASN 385 Ca -0.05 0.99 -0.04 0.00 -0.71 0.00 0.00 52.86 53.05 3ifs s ASN 385 Cb -0.20 -2.41 0.06 0.00 0.41 0.00 0.00 41.25 39.11 3ifs s ASN 385 CO -0.02 -0.39 0.10 -0.63 -1.51 0.00 0.00 177.10 174.64 3ifs s ILE 386 N 2.30 3.40 0.20 0.60 1.01 0.41 -1.95 121.20 127.18 3ifs s ILE 386 Ca 0.33 -1.45 -0.10 0.00 0.00 0.00 0.00 60.65 59.43 3ifs s ILE 386 Cb -0.16 -3.04 0.14 0.00 0.01 0.00 0.00 42.46 39.41 3ifs s ILE 386 CO 0.10 -0.29 1.74 -0.65 0.00 0.00 0.00 174.94 175.84 3ifs h PRO 387 N 8.11 0.36 -2.40 2.79 0.11 -1.83 0.23 132.00 139.38 3ifs h PRO 387 Ca -0.20 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.86 3ifs h PRO 387 Cb 1.07 -0.08 -0.16 0.00 0.11 0.00 0.00 31.00 31.93 3ifs h PRO 387 CO 0.61 0.24 0.24 -1.83 -0.21 0.00 0.00 178.00 177.04 3ifs s GLU 388 N -6.10 1.11 -0.65 1.05 -1.05 -1.26 -1.05 118.70 110.74 3ifs s GLU 388 Ca -0.13 -0.08 -0.24 0.00 -0.15 0.00 0.00 54.97 54.38 3ifs s GLU 388 Cb 0.17 0.52 0.06 0.00 -0.44 0.00 0.00 34.13 34.43 3ifs s GLU 388 CO 0.74 -0.42 1.02 -0.51 0.95 0.00 0.00 175.26 177.05 3ifs s LEU 389 N -1.90 4.08 0.29 1.83 1.43 -1.26 -4.75 118.68 118.40 3ifs s LEU 389 Ca -0.05 -0.74 -0.06 0.00 -1.03 0.00 0.00 54.13 52.26 3ifs s LEU 389 Cb -0.00 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.67 3ifs s LEU 389 CO -0.01 -1.47 0.43 0.54 0.23 0.00 0.00 176.35 176.07 3ifs s ASN 390 N 3.50 0.47 0.15 2.29 2.20 -1.26 -4.98 114.94 117.31 3ifs s ASN 390 Ca 0.27 -1.28 -0.15 0.00 -0.94 0.00 0.00 52.86 50.75 3ifs s ASN 390 Cb -0.14 0.60 0.02 0.00 -2.00 0.00 0.00 41.25 39.73 3ifs s ASN 390 CO 0.13 -1.19 1.73 -0.33 -2.94 0.00 0.00 177.10 174.50 3ifs h GLU 391 N 2.23 0.65 -0.13 3.55 3.07 -1.92 -0.66 114.58 121.37 3ifs h GLU 391 Ca -0.29 -0.09 0.03 0.00 -0.50 0.00 0.00 59.36 58.51 3ifs h GLU 391 Cb 1.24 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 29.00 3ifs h GLU 391 CO 0.40 0.55 -0.08 -0.92 -1.40 0.00 0.00 179.01 177.56 3ifs h TYR 392 N 0.59 -0.20 -0.80 4.33 5.03 -1.89 -1.54 116.97 122.48 3ifs h TYR 392 Ca 0.16 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.44 3ifs h TYR 392 Cb 0.11 0.11 -0.04 0.00 1.55 0.00 0.00 36.73 38.47 3ifs h TYR 392 CO -0.01 -0.13 0.33 1.15 -1.32 0.00 0.00 178.16 178.18 3ifs h THR 393 N -0.09 1.26 -0.77 1.81 2.02 -1.81 -1.53 112.91 113.80 3ifs h THR 393 Ca 0.08 -0.81 0.04 0.00 0.77 0.00 0.00 66.41 66.49 3ifs h THR 393 Cb 0.20 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 66.86 3ifs h THR 393 CO -0.18 0.33 0.48 0.15 0.37 0.00 0.00 175.52 176.67 3ifs h PHE 394 N 1.16 0.90 -0.38 3.16 3.04 -0.63 0.19 116.94 124.37 3ifs h PHE 394 Ca 0.27 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.22 3ifs h PHE 394 Cb 0.20 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.41 3ifs h PHE 394 CO 0.02 0.49 0.17 0.78 -2.02 0.00 0.00 178.31 177.75 3ifs h GLY 395 N 0.92 0.61 0.95 2.40 0.00 -0.81 -0.50 103.07 106.63 3ifs h GLY 395 Ca 0.32 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3ifs h GLY 395 CO -0.13 0.30 0.18 -1.82 0.00 0.00 0.00 176.54 175.07 3ifs h TYR 396 N 0.48 0.55 -0.52 5.60 5.03 -0.81 -2.32 116.97 124.97 3ifs h TYR 396 Ca 0.13 -0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.37 3ifs h TYR 396 Cb 0.16 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.25 3ifs h TYR 396 CO -0.01 0.47 0.18 1.25 -1.32 0.00 0.00 178.16 178.73 3ifs h LEU 397 N 0.47 0.75 -0.41 2.82 5.85 -0.48 -0.20 115.31 124.11 3ifs h LEU 397 Ca 0.13 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.66 3ifs h LEU 397 Cb 0.13 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3ifs h LEU 397 CO -0.02 0.75 0.27 0.58 -0.34 0.00 0.00 178.44 179.68 3ifs h VAL 398 N 0.72 1.09 -0.54 1.05 2.07 -1.03 -1.91 116.25 117.71 3ifs h VAL 398 Ca 0.17 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 3ifs h VAL 398 Cb 0.26 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3ifs h VAL 398 CO -0.01 0.10 -0.01 0.22 0.02 0.00 0.00 177.57 177.90 3ifs h TYR 399 N 0.55 1.04 -0.26 1.57 5.03 -1.12 -0.47 116.97 123.30 3ifs h TYR 399 Ca 0.15 -0.18 0.06 0.00 2.58 0.00 0.00 58.73 61.35 3ifs h TYR 399 Cb -0.05 -0.27 -0.07 0.00 1.55 0.00 0.00 36.73 37.89 3ifs h TYR 399 CO -0.05 0.95 -0.23 0.35 -1.32 0.00 0.00 178.16 177.86 3ifs h PHE 400 N 0.82 -0.61 -0.51 -3.82 3.57 -0.76 -0.71 116.94 114.93 3ifs h PHE 400 Ca 0.15 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.58 3ifs h PHE 400 Cb 0.54 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 3ifs h PHE 400 CO 0.04 -0.31 -0.09 0.74 -2.23 0.00 0.00 178.31 176.46 3ifs h PHE 401 N -0.23 1.05 -0.18 0.41 0.04 -1.16 -1.13 116.94 115.75 3ifs h PHE 401 Ca 0.14 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 3ifs h PHE 401 Cb 0.45 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 3ifs h PHE 401 CO -0.40 0.98 0.07 0.93 -0.60 0.00 0.00 178.31 179.30 3ifs h GLU 402 N 0.85 0.27 -0.31 1.51 5.08 -0.77 0.17 114.58 121.38 3ifs h GLU 402 Ca 0.14 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 3ifs h GLU 402 Cb 0.63 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3ifs h GLU 402 CO 0.04 0.34 -0.26 -0.22 -1.00 0.00 0.00 179.01 177.91 3ifs h LYS 403 N 0.14 0.61 -0.57 2.33 1.63 -1.11 -1.89 116.57 117.71 3ifs h LYS 403 Ca 0.06 -0.25 -0.11 0.00 -0.85 0.00 0.00 60.65 59.50 3ifs h LYS 403 Cb 0.17 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 3ifs h LYS 403 CO -0.01 0.81 -0.08 0.00 -3.45 0.00 0.00 179.45 176.73 3ifs h ALA 404 N 1.19 0.79 -0.43 5.00 0.00 -1.06 -3.02 119.26 121.72 3ifs h ALA 404 Ca 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3ifs h ALA 404 Cb 0.73 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3ifs h ALA 404 CO 0.06 0.67 0.28 0.00 0.00 0.00 0.00 179.25 180.26 3ifs n ALA 406 N -2.22 0.98 0.00 0.00 0.00 -0.75 -0.94 120.51 117.58 3ifs n ALA 406 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3ifs n ALA 406 Cb 0.03 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 0.13 0.00 -0.14 0.00 2.88 0.00 -2.01 113.62 114.48 3ifs n SER 408 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 3ifs n SER 408 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 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 0.70 1.27 0.46 0.00 -1.29 -1.37 103.07 102.85 3ifs h GLY 409 Ca 0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 3ifs h GLY 409 CO 0.00 0.41 0.06 -0.97 0.00 0.00 0.00 176.54 176.04 3ifs h TYR 410 N 0.52 0.94 -0.16 5.60 0.05 -1.59 -2.17 116.97 120.16 3ifs h TYR 410 Ca 0.13 -0.12 -0.09 0.00 0.05 0.00 0.00 58.73 58.70 3ifs h TYR 410 Cb 0.31 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 3ifs h TYR 410 CO 0.02 0.83 -0.29 -0.07 -1.05 0.00 0.00 178.16 177.60 3ifs h LEU 411 N 0.84 0.30 -1.16 3.88 3.38 -1.77 -2.58 115.31 118.20 3ifs h LEU 411 Ca 0.17 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3ifs h LEU 411 Cb 0.42 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3ifs h LEU 411 CO 0.01 0.59 -0.36 0.25 0.09 0.00 0.00 178.44 179.02 3ifs h LEU 412 N 0.27 0.00 0.00 1.67 5.85 -0.97 -3.47 115.31 118.65 3ifs h LEU 412 Ca 0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3ifs h LEU 412 Cb 0.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3ifs h LEU 412 CO 0.05 0.36 0.00 0.61 -0.34 0.00 0.00 178.44 179.12 3ifs n GLY 413 N -0.12 1.60 3.67 3.75 0.00 -0.92 -5.10 105.19 108.07 3ifs n GLY 413 Ca -0.01 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 1.86 -0.43 1.61 -7.23 -0.86 -5.04 120.40 108.31 3ifs s VAL 414 Ca 0.00 -1.95 -0.24 0.00 -1.81 0.00 0.00 61.98 57.98 3ifs s VAL 414 Cb 0.00 -2.81 0.02 0.00 0.56 0.00 0.00 36.38 34.15 3ifs s VAL 414 CO 0.00 0.00 0.83 0.21 -0.31 0.00 0.00 175.10 175.83 3ifs s ASN 415 N -3.78 6.47 0.00 4.85 3.84 -1.26 -4.30 114.94 120.76 3ifs s ASN 415 Ca 0.30 0.07 0.24 0.00 0.21 0.00 0.00 52.86 53.68 3ifs s ASN 415 Cb 0.07 -2.41 1.18 0.00 -0.55 0.00 0.00 41.25 39.54 3ifs s ASN 415 CO 0.16 -0.92 1.80 -2.65 -2.79 0.00 0.00 177.10 172.70 3ifs n PRO 416 N 6.80 0.26 -0.00 0.43 -0.02 -1.26 -4.03 135.00 137.18 3ifs n PRO 416 Ca 0.04 0.06 0.05 0.00 -2.02 0.00 0.00 63.50 61.64 3ifs n PRO 416 Cb 0.48 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.51 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 -1.34 0.00 -3.61 6.00 3.72 -1.26 -4.34 117.46 116.63 3ifs n PHE 417 Ca 0.10 -0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.26 3ifs n PHE 417 Cb 0.22 -0.00 0.02 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 -0.90 4.75 -0.45 4.37 -4.77 -1.26 -4.95 116.67 113.47 3ifs s ASP 418 Ca 0.13 -1.16 0.07 0.00 -3.30 0.00 0.00 52.55 48.29 3ifs s ASP 418 Cb 0.09 0.49 0.30 0.00 -1.09 0.00 0.00 42.92 42.71 3ifs s ASP 418 CO 0.13 -1.25 0.96 0.00 0.70 0.00 0.00 175.17 175.72 3ifs n GLN 419 N -1.97 0.93 0.25 2.11 0.00 -1.26 -4.76 117.38 112.68 3ifs n GLN 419 Ca 0.04 -2.20 0.10 0.00 0.00 0.00 0.00 57.00 54.94 3ifs n GLN 419 Cb 0.64 -1.26 0.64 0.00 0.00 0.00 0.00 30.24 30.26 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 3.32 0.00 0.00 2.61 0.13 -1.98 -3.07 132.00 133.00 3ifs h PRO 420 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3ifs h PRO 420 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3ifs h PRO 420 CO 0.26 0.16 0.00 0.78 -0.23 0.00 0.00 178.00 178.97 3ifs h GLY 421 N 0.90 0.00 2.00 1.56 0.00 -1.95 -2.77 103.07 102.81 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 0.02 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.89 3ifs n VAL 422 N -2.83 0.22 0.10 4.60 0.24 -1.16 -3.62 118.33 115.88 3ifs n VAL 422 Ca -0.01 -0.02 -0.03 0.00 -2.04 0.00 0.00 64.34 62.24 3ifs n VAL 422 Cb 0.18 -0.58 0.15 0.00 -1.47 0.00 0.00 33.84 32.13 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 0.17 0.09 7.34 4.39 -1.72 -3.19 114.58 121.67 3ifs h GLU 423 Ca 0.00 -0.11 0.02 0.00 0.34 0.00 0.00 59.36 59.61 3ifs h GLU 423 Cb 0.51 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 3ifs h GLU 423 CO 0.00 0.70 -0.23 0.00 -1.16 0.00 0.00 179.01 178.32 3ifs h ALA 424 N 1.28 -0.38 -0.29 3.43 0.00 -1.78 -0.86 119.26 120.66 3ifs h ALA 424 Ca -0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3ifs h ALA 424 Cb 1.06 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 3ifs h ALA 424 CO 0.09 -0.76 -0.33 0.10 0.00 0.00 0.00 179.25 178.34 3ifs h TYR 425 N -0.42 0.74 -0.03 0.00 -0.00 -1.80 -2.68 116.97 112.77 3ifs h TYR 425 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 58.73 58.57 3ifs h TYR 425 Cb 0.45 -0.17 -0.00 0.00 0.00 0.00 0.00 36.73 37.01 3ifs h TYR 425 CO -0.23 0.89 0.00 0.87 -0.00 0.00 0.00 178.16 179.69 3ifs h LYS 426 N 0.54 0.02 -0.14 0.10 1.57 -1.46 -2.85 116.57 114.35 3ifs h LYS 426 Ca 0.06 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 3ifs h LYS 426 Cb 0.83 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 3ifs h LYS 426 CO 0.07 0.01 -0.32 1.57 -0.57 0.00 0.00 179.45 180.21 3ifs h LYS 427 N 0.02 0.27 -0.77 3.15 2.10 -1.12 0.16 116.57 120.38 3ifs h LYS 427 Ca 0.02 -0.11 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 3ifs h LYS 427 Cb 0.02 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3ifs h LYS 427 CO -0.02 0.57 0.00 0.09 -2.00 0.00 0.00 179.45 178.08 3ifs n ASN 428 N -4.10 0.48 0.00 7.07 4.13 -1.02 -1.26 115.26 120.56 3ifs n ASN 428 Ca -0.01 -0.57 0.00 0.00 1.68 0.00 0.00 54.58 55.68 3ifs n ASN 428 Cb 0.42 -0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.51 3ifs n ASN 428 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3ifs n PHE 430 N 0.53 0.00 0.11 3.10 3.72 0.04 -1.59 117.46 123.37 3ifs n PHE 430 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 3ifs n PHE 430 Cb 0.10 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.58 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 -0.37 0.00 4.37 0.00 -1.43 -0.59 119.26 121.24 3ifs h ALA 431 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3ifs h ALA 431 Cb 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3ifs h ALA 431 CO 0.00 -0.75 -0.24 -0.07 0.00 0.00 0.00 179.25 178.19 3ifs h LEU 432 N -0.41 0.00 -0.78 0.00 3.38 -1.56 -1.58 115.31 114.36 3ifs h LEU 432 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 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 -0.13 0.24 0.00 -0.07 0.09 0.00 0.00 178.44 178.57 3ifs h LEU 433 N 0.00 0.00 0.00 1.67 3.38 -1.76 -3.46 115.31 115.14 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 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3ifs h LEU 433 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 3ifs n GLY 434 N 0.41 1.14 3.74 0.83 0.00 -0.59 -5.04 105.19 105.68 3ifs n GLY 434 Ca 0.02 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.34 4.32 0.34 1.61 2.20 -0.26 -4.93 119.74 120.68 3ifs s LYS 435 Ca 0.00 2.19 -0.28 0.00 -0.36 0.00 0.00 55.97 57.53 3ifs s LYS 435 Cb 0.00 -3.14 -0.12 0.00 -1.51 0.00 0.00 37.83 33.05 3ifs s LYS 435 CO 0.00 -0.34 1.23 -2.30 -0.36 0.00 0.00 175.35 173.58 3ifs n PRO 436 N 2.40 1.96 0.00 4.03 -0.02 -1.26 -2.44 135.00 139.67 3ifs n PRO 436 Ca 0.06 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3ifs n PRO 436 Cb 0.41 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 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 0.86 2.05 1.30 -1.23 0.00 -1.26 -4.89 105.19 102.02 3ifs n GLY 437 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.09 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 1.45 -0.20 1.61 3.01 -1.02 -4.74 117.46 115.57 3ifs n PHE 438 Ca 0.00 -1.17 -0.07 0.00 1.01 0.00 0.00 57.45 57.23 3ifs n PHE 438 Cb 0.00 -0.48 0.03 0.00 -0.01 0.00 0.00 39.48 39.02 3ifs n PHE 438 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3ifs h GLU 439 N 1.85 0.78 -0.49 -1.08 3.07 -1.90 -0.75 114.58 116.07 3ifs h GLU 439 Ca 0.14 -0.08 -0.04 0.00 -0.50 0.00 0.00 59.36 58.88 3ifs h GLU 439 Cb 1.78 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 29.51 3ifs h GLU 439 CO 0.43 0.59 0.16 1.49 -1.40 0.00 0.00 179.01 180.27 3ifs h GLU 440 N 0.77 0.75 -0.38 2.33 4.81 -1.99 -2.14 114.58 118.73 3ifs h GLU 440 Ca 0.20 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 3ifs h GLU 440 Cb 0.02 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3ifs h GLU 440 CO -0.03 0.70 -0.14 1.25 -0.73 0.00 0.00 179.01 180.06 3ifs h LEU 441 N 0.65 0.68 -0.31 1.64 5.85 -1.89 -2.80 115.31 119.13 3ifs h LEU 441 Ca 0.16 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3ifs h LEU 441 Cb 0.26 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3ifs h LEU 441 CO -0.01 0.84 0.12 0.50 -0.34 0.00 0.00 178.44 179.55 3ifs h LYS 442 N 0.62 0.25 -0.39 1.25 3.64 -0.69 -1.36 116.57 119.89 3ifs h LYS 442 Ca 0.10 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 3ifs h LYS 442 Cb 0.60 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 3ifs h LYS 442 CO 0.04 0.17 0.18 0.00 -2.27 0.00 0.00 179.45 177.56 3ifs h ALA 443 N 1.19 0.48 -0.62 5.00 0.00 -1.22 -0.28 119.26 123.80 3ifs h ALA 443 Ca 0.13 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3ifs h ALA 443 Cb 0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3ifs h ALA 443 CO -0.13 -0.19 0.37 0.93 0.00 0.00 0.00 179.25 180.23 3ifs h GLU 444 N 0.37 0.71 -0.23 0.00 5.08 -1.21 -2.62 114.58 116.67 3ifs h GLU 444 Ca 0.17 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 3ifs h GLU 444 Cb 0.10 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3ifs h GLU 444 CO -0.14 0.47 -0.45 -0.07 -1.00 0.00 0.00 179.01 177.82 3ifs h LEU 445 N 0.73 0.64 -0.22 1.33 3.38 -0.79 -3.14 115.31 117.23 3ifs h LEU 445 Ca 0.26 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3ifs h LEU 445 Cb 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3ifs h LEU 445 CO -0.12 0.99 0.13 -0.33 0.09 0.00 0.00 178.44 179.21 3ifs h GLU 446 N 0.48 0.27 0.00 1.13 4.39 -0.76 -0.87 114.58 119.22 3ifs h GLU 446 Ca 0.03 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 3ifs h GLU 446 Cb 0.97 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.56 3ifs h GLU 446 CO 0.09 0.18 -0.06 1.05 -1.16 0.00 0.00 179.01 179.10 3ifs h GLU 447 N 0.27 0.00 0.00 2.33 4.11 -1.48 -1.37 114.58 118.45 3ifs h GLU 447 Ca 0.09 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.51 3ifs h GLU 447 Cb -0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3ifs h GLU 447 CO -0.04 0.06 -0.03 0.00 0.07 0.00 0.00 179.01 179.07 3ifs h ARG 448 N 0.00 0.00 -0.00 1.06 3.08 -1.14 -3.18 114.38 114.20 3ifs h ARG 448 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ifs h ARG 448 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3ifs h ARG 448 CO 0.01 0.03 -0.26 1.28 -1.07 0.00 0.00 179.97 179.96 3ifs n LEU 449 N -3.11 0.37 0.00 3.04 4.77 -0.53 -5.12 117.00 116.43 3ifs n LEU 449 Ca 0.03 0.14 0.08 0.00 -0.03 0.00 0.00 56.01 56.24 3ifs n LEU 449 Cb 0.51 -0.31 0.50 0.00 -2.33 0.00 0.00 43.42 41.79 3ifs n LEU 449 CO 0.34 0.08 0.70 0.29 -1.33 0.00 0.00 177.39 177.47