#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 -0.06 0.19 1.09 0.00 -1.26 -5.08 115.29 110.17 3ifs s HIS 4 Ca 0.00 0.04 -0.30 0.00 -3.00 0.00 0.00 55.06 51.80 3ifs s HIS 4 Cb 0.00 0.51 -0.08 0.00 -4.00 0.00 0.00 32.58 29.00 3ifs s HIS 4 CO 0.00 -0.10 1.28 0.08 -1.00 0.00 0.00 174.74 175.00 3ifs s VAL 5 N -2.19 3.32 0.18 -5.38 1.01 -1.26 -4.58 120.40 111.50 3ifs s VAL 5 Ca 0.11 1.09 0.06 0.00 0.00 0.00 0.00 61.98 63.24 3ifs s VAL 5 Cb -0.01 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 3ifs s VAL 5 CO -0.03 0.16 -0.13 0.42 0.00 0.00 0.00 175.10 175.52 3ifs s THR 6 N 0.09 1.50 -0.12 3.92 -4.23 -0.94 -4.99 115.64 110.87 3ifs s THR 6 Ca 0.56 -2.14 0.03 0.00 -1.18 0.00 0.00 61.69 58.96 3ifs s THR 6 Cb -0.35 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 71.54 3ifs s THR 6 CO 0.38 -0.65 -0.23 0.12 -0.54 0.00 0.00 174.62 173.70 3ifs s PHE 7 N -3.09 2.62 -0.17 3.99 5.36 -1.26 -1.13 117.98 124.30 3ifs s PHE 7 Ca 0.20 -1.18 0.00 0.00 -0.96 0.00 0.00 56.93 54.99 3ifs s PHE 7 Cb 0.00 -1.76 0.03 0.00 -0.34 0.00 0.00 43.02 40.95 3ifs s PHE 7 CO 0.04 -0.51 -0.10 0.34 -1.46 0.00 0.00 175.22 173.53 3ifs s ASP 8 N 0.57 2.90 -0.00 6.13 2.15 0.03 -4.96 116.67 123.49 3ifs s ASP 8 Ca -0.13 -0.64 0.10 0.00 0.43 0.00 0.00 52.55 52.31 3ifs s ASP 8 Cb -0.17 -1.11 0.29 0.00 -0.30 0.00 0.00 42.92 41.63 3ifs s ASP 8 CO 0.04 -0.12 1.24 0.00 -0.17 0.00 0.00 175.17 176.16 3ifs n TYR 9 N 4.78 0.44 0.25 -5.34 0.18 -1.26 -1.10 117.16 115.10 3ifs n TYR 9 Ca -0.15 -0.51 0.09 0.00 1.88 0.00 0.00 57.90 59.22 3ifs n TYR 9 Cb 0.48 -0.04 0.63 0.00 -0.38 0.00 0.00 39.34 40.04 3ifs n TYR 9 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 3ifs h SER 10 N 1.87 0.00 0.58 9.48 4.64 -1.93 -0.89 113.55 127.30 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 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3ifs h SER 10 CO 0.01 0.15 0.00 0.29 -0.87 0.00 0.00 176.83 176.41 3ifs n LYS 11 N -3.95 0.29 -0.20 4.77 4.76 -1.26 -2.97 118.16 119.60 3ifs n LYS 11 Ca -0.02 0.04 0.07 0.00 -2.87 0.00 0.00 58.31 55.53 3ifs n LYS 11 Cb 0.24 -1.50 0.18 0.00 -1.84 0.00 0.00 35.03 32.11 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 -1.33 2.25 0.23 7.82 0.00 -0.34 -4.62 120.51 124.52 3ifs n ALA 12 Ca 0.11 -1.12 0.08 0.00 0.00 0.00 0.00 53.44 52.51 3ifs n ALA 12 Cb 0.23 -0.55 0.40 0.00 0.00 0.00 0.00 19.45 19.53 3ifs n ALA 12 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ifs n LEU 13 N 0.80 0.40 0.01 0.00 4.77 -1.16 -0.86 117.00 120.96 3ifs n LEU 13 Ca 0.14 0.65 0.14 0.00 -0.03 0.00 0.00 56.01 56.91 3ifs n LEU 13 Cb 0.46 -0.65 0.56 0.00 -2.33 0.00 0.00 43.42 41.46 3ifs n LEU 13 CO 0.10 -0.67 0.91 -1.54 -1.33 0.00 0.00 177.39 174.86 3ifs n SER 14 N -1.99 0.13 -0.05 -1.43 3.41 -1.26 -3.73 113.62 108.70 3ifs n SER 14 Ca 0.00 0.45 -0.04 0.00 -0.26 0.00 0.00 58.87 59.02 3ifs n SER 14 Cb 0.09 -0.47 -0.09 0.00 -0.26 0.00 0.00 64.21 63.49 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 -1.59 0.00 -4.59 7.33 3.01 -0.04 -4.99 117.46 116.59 3ifs n PHE 15 Ca 0.07 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.28 3ifs n PHE 15 Cb 0.35 -0.50 -0.16 0.00 -0.01 0.00 0.00 39.48 39.15 3ifs n PHE 15 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 3ifs s ILE 16 N -2.37 1.12 0.36 4.37 -4.36 -0.82 -5.09 121.20 114.41 3ifs s ILE 16 Ca -0.05 -0.49 -0.21 0.00 -0.26 0.00 0.00 60.65 59.64 3ifs s ILE 16 Cb 0.04 -1.02 -0.10 0.00 1.25 0.00 0.00 42.46 42.63 3ifs s ILE 16 CO 0.46 0.35 0.87 -0.83 0.24 0.00 0.00 174.94 176.04 3ifs s GLY 17 N 0.56 2.51 0.41 6.27 0.00 -1.26 -4.39 107.32 111.42 3ifs s GLY 17 Ca -0.12 0.32 0.13 0.00 0.00 0.00 0.00 44.72 45.05 3ifs s GLY 17 CO 0.03 0.64 1.93 0.83 0.00 0.00 0.00 173.10 176.53 3ifs h GLU 18 N 2.48 0.50 0.00 2.90 4.39 -2.00 -1.18 114.58 121.66 3ifs h GLU 18 Ca -0.48 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.18 3ifs h GLU 18 Cb 1.18 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3ifs h GLU 18 CO 0.63 0.33 -0.06 1.12 -1.16 0.00 0.00 179.01 179.88 3ifs h HIS 19 N 0.51 0.00 -0.12 4.33 2.07 -1.99 -1.54 115.15 118.42 3ifs h HIS 19 Ca 0.36 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.85 3ifs h HIS 19 Cb 0.69 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.66 3ifs h HIS 19 CO -0.00 0.06 -0.07 0.93 -3.07 0.00 0.00 177.93 175.78 3ifs h GLU 20 N 0.00 0.18 0.00 5.12 5.08 -1.59 0.36 114.58 123.72 3ifs h GLU 20 Ca -0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3ifs h GLU 20 Cb 0.12 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3ifs h GLU 20 CO 0.01 0.26 -0.11 0.82 -1.00 0.00 0.00 179.01 178.99 3ifs h ILE 21 N 0.17 1.57 0.00 3.13 2.04 -1.40 -3.35 117.51 119.68 3ifs h ILE 21 Ca 0.04 -2.22 -0.04 0.00 1.00 0.00 0.00 64.86 63.64 3ifs h ILE 21 Cb 0.24 3.01 -0.01 0.00 -0.74 0.00 0.00 36.82 39.32 3ifs h ILE 21 CO 0.01 0.53 -0.18 0.71 0.00 0.00 0.00 178.15 179.22 3ifs h THR 22 N -1.00 0.90 0.00 -0.27 1.35 -1.35 -2.04 112.91 110.49 3ifs h THR 22 Ca -0.03 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 3ifs h THR 22 Cb 0.94 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 3ifs h THR 22 CO -0.02 0.18 0.00 1.88 -0.25 0.00 0.00 175.52 177.31 3ifs h TYR 23 N 0.00 0.00 -0.33 4.73 0.05 -1.05 -2.40 116.97 117.97 3ifs h TYR 23 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3ifs h TYR 23 Cb 0.38 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.12 3ifs h TYR 23 CO 0.00 0.00 0.00 1.28 -1.05 0.00 0.00 178.16 178.39 3ifs n LEU 24 N -2.82 2.48 -0.25 3.88 4.32 -0.77 -4.49 117.00 119.34 3ifs n LEU 24 Ca -0.01 -1.11 0.04 0.00 -0.02 0.00 0.00 56.01 54.90 3ifs n LEU 24 Cb 0.15 -0.22 0.17 0.00 -1.62 0.00 0.00 43.42 41.90 3ifs n LEU 24 CO 0.20 0.56 1.04 0.03 -1.22 0.00 0.00 177.39 177.99 3ifs h ARG 25 N 3.07 0.49 -0.64 3.23 3.08 -1.57 -0.71 114.38 121.32 3ifs h ARG 25 Ca 0.00 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3ifs h ARG 25 Cb 0.68 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 3ifs h ARG 25 CO 0.00 0.32 0.23 -0.44 -1.07 0.00 0.00 179.97 179.01 3ifs h ASP 26 N 0.50 0.92 -0.44 7.04 3.32 -1.84 -1.18 116.42 124.74 3ifs h ASP 26 Ca 0.39 -0.19 -0.11 0.00 0.02 0.00 0.00 57.03 57.14 3ifs h ASP 26 Cb 0.54 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3ifs h ASP 26 CO -0.35 0.86 -0.13 0.00 -1.72 0.00 0.00 179.24 177.90 3ifs h ALA 27 N 1.09 0.85 -0.28 3.45 0.00 -1.67 -2.62 119.26 120.07 3ifs h ALA 27 Ca 0.21 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3ifs h ALA 27 Cb 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3ifs h ALA 27 CO -0.01 0.65 0.09 0.28 0.00 0.00 0.00 179.25 180.26 3ifs h VAL 28 N 0.81 1.20 -0.05 0.00 2.07 -0.95 -2.15 116.25 117.18 3ifs h VAL 28 Ca 0.13 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 67.04 3ifs h VAL 28 Cb 0.67 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3ifs h VAL 28 CO 0.05 0.21 -0.04 0.50 0.02 0.00 0.00 177.57 178.30 3ifs h LYS 29 N 0.30 -0.05 -0.38 1.57 3.64 -1.12 0.21 116.57 120.73 3ifs h LYS 29 Ca 0.09 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3ifs h LYS 29 Cb 0.23 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3ifs h LYS 29 CO -0.00 -0.03 0.01 -0.39 -2.27 0.00 0.00 179.45 176.76 3ifs h VAL 30 N -0.05 1.21 -0.34 2.00 -1.51 -1.44 -1.83 116.25 114.28 3ifs h VAL 30 Ca 0.03 -0.84 -0.14 0.00 -1.23 0.00 0.00 66.70 64.52 3ifs h VAL 30 Cb 0.10 0.91 -0.01 0.00 -2.13 0.00 0.00 31.29 30.17 3ifs h VAL 30 CO -0.08 0.29 -0.36 0.74 -1.23 0.00 0.00 177.57 176.93 3ifs h THR 31 N 0.58 1.28 -0.26 7.19 2.02 -1.04 -2.11 112.91 120.57 3ifs h THR 31 Ca 0.12 -1.53 0.03 0.00 0.77 0.00 0.00 66.41 65.80 3ifs h THR 31 Cb 0.36 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 3ifs h THR 31 CO 0.01 0.50 0.08 -0.74 0.37 0.00 0.00 175.52 175.75 3ifs h HIS 32 N 0.66 0.14 -0.98 3.16 6.17 -0.07 -0.86 115.15 123.39 3ifs h HIS 32 Ca 0.06 0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.18 3ifs h HIS 32 Cb 0.92 -0.03 -0.05 0.00 2.52 0.00 0.00 27.41 30.77 3ifs h HIS 32 CO 0.05 0.06 0.64 0.45 0.71 0.00 0.00 177.93 179.85 3ifs h HIS 33 N 0.20 1.21 -0.65 5.26 3.86 -1.20 -1.52 115.15 122.31 3ifs h HIS 33 Ca 0.12 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 3ifs h HIS 33 Cb 0.09 -0.41 -0.03 0.00 1.06 0.00 0.00 27.41 28.13 3ifs h HIS 33 CO -0.14 0.73 0.35 0.00 0.86 0.00 0.00 177.93 179.73 3ifs h ALA 34 N 1.38 0.83 0.23 2.45 0.00 -0.73 0.13 119.26 123.56 3ifs h ALA 34 Ca 0.38 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3ifs h ALA 34 Cb -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3ifs h ALA 34 CO -0.10 0.36 -0.11 0.82 0.00 0.00 0.00 179.25 180.21 3ifs h ILE 35 N 0.89 0.83 -0.00 0.00 2.04 -0.76 0.48 117.51 120.99 3ifs h ILE 35 Ca 0.23 -0.41 -0.14 0.00 1.00 0.00 0.00 64.86 65.54 3ifs h ILE 35 Cb 0.06 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3ifs h ILE 35 CO -0.03 0.09 -0.65 0.45 0.00 0.00 0.00 178.15 178.00 3ifs h HIS 36 N -0.52 0.01 -0.01 1.37 3.86 -1.22 -2.83 115.15 115.81 3ifs h HIS 36 Ca -0.03 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 3ifs h HIS 36 Cb 0.39 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.86 3ifs h HIS 36 CO -0.00 0.66 -0.35 0.39 0.86 0.00 0.00 177.93 179.49 3ifs n GLU 37 N -3.77 0.87 -3.45 2.45 1.02 0.45 -4.98 120.64 113.23 3ifs n GLU 37 Ca -0.01 -0.58 -0.19 0.00 -0.02 0.00 0.00 57.16 56.36 3ifs n GLU 37 Cb 0.64 -1.49 0.07 0.00 -0.02 0.00 0.00 31.44 30.64 3ifs n GLU 37 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3ifs n LYS 38 N -0.56 -4.33 0.00 3.49 5.02 0.07 -4.95 118.16 116.90 3ifs n LYS 38 Ca 0.11 0.77 0.04 0.00 -2.02 0.00 0.00 58.31 57.21 3ifs n LYS 38 Cb 0.38 -5.56 -0.00 0.00 -0.02 0.00 0.00 35.03 29.83 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 -3.87 0.00 -2.91 -0.18 -2.24 -0.66 -4.85 114.28 99.57 3ifs n THR 39 Ca -0.20 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 3ifs n THR 39 Cb 0.65 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 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 0.78 1.91 3.75 3.38 0.00 -1.26 -4.98 105.19 108.79 3ifs n GLY 40 Ca 0.03 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 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 -3.00 2.34 -2.03 4.61 0.00 -1.26 -2.45 120.51 118.73 3ifs n ALA 41 Ca 0.00 0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.67 3ifs n ALA 41 Cb 0.00 -2.42 -0.02 0.00 0.00 0.00 0.00 19.45 17.01 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 1.24 0.22 0.00 0.00 0.00 -1.26 -4.64 105.19 100.75 3ifs n GLY 42 Ca 0.05 -0.38 0.05 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.32 0.00 -0.06 1.61 0.23 -1.02 -1.45 115.26 114.25 3ifs n ASN 43 Ca -0.14 0.30 0.15 0.00 -0.53 0.00 0.00 54.58 54.36 3ifs n ASN 43 Cb 0.56 -0.39 0.82 0.00 -2.08 0.00 0.00 39.78 38.70 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 -1.39 0.21 -2.45 0.53 8.00 -1.26 -4.06 116.55 116.13 3ifs n ASP 44 Ca 0.04 -0.82 -0.19 0.00 0.71 0.00 0.00 54.79 54.53 3ifs n ASP 44 Cb 0.11 -0.07 0.02 0.00 -0.02 0.00 0.00 41.12 41.16 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 -0.93 2.46 -1.01 1.24 3.72 -0.53 -4.33 117.46 118.08 3ifs n PHE 45 Ca 0.20 -2.69 0.09 0.00 -0.05 0.00 0.00 57.45 55.00 3ifs n PHE 45 Cb 0.18 -0.23 0.24 0.00 -0.94 0.00 0.00 39.48 38.73 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 -0.46 3.66 0.14 4.37 4.77 -1.14 -4.61 117.00 123.73 3ifs n LEU 46 Ca 0.29 -3.03 0.12 0.00 -0.03 0.00 0.00 56.01 53.35 3ifs n LEU 46 Cb 0.79 -0.53 0.52 0.00 -2.33 0.00 0.00 43.42 41.87 3ifs n LEU 46 CO 0.30 0.68 0.84 0.61 -1.33 0.00 0.00 177.39 178.49 3ifs n GLY 47 N -0.65 -1.13 0.22 -0.72 0.00 -0.04 -2.21 105.19 100.65 3ifs n GLY 47 Ca 0.21 0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.48 3ifs n GLY 47 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3ifs h TRP 48 N 0.00 0.00 -0.23 1.61 5.08 -1.83 -3.17 115.95 117.41 3ifs h TRP 48 Ca 0.00 0.00 0.01 0.00 1.08 0.00 0.00 58.89 59.98 3ifs h TRP 48 Cb 0.24 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.39 3ifs h TRP 48 CO 0.00 0.00 0.14 0.28 -1.28 0.00 0.00 178.44 177.58 3ifs h VAL 49 N 0.00 1.04 -0.30 0.12 2.07 -1.82 -3.10 116.25 114.25 3ifs h VAL 49 Ca 0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3ifs h VAL 49 Cb 0.91 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3ifs h VAL 49 CO 0.00 0.05 0.00 0.47 0.02 0.00 0.00 177.57 178.11 3ifs n ASP 50 N -4.95 2.87 -0.32 0.57 8.00 -1.26 -4.66 116.55 116.80 3ifs n ASP 50 Ca -0.02 -1.86 0.12 0.00 0.71 0.00 0.00 54.79 53.74 3ifs n ASP 50 Cb 0.04 -0.19 0.30 0.00 -0.02 0.00 0.00 41.12 41.24 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 2.80 0.55 -2.54 0.64 5.85 -1.51 -0.73 115.31 120.37 3ifs h LEU 51 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3ifs h LEU 51 Cb 0.74 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.81 3ifs h LEU 51 CO 0.00 0.15 0.00 -0.65 -0.34 0.00 0.00 178.44 177.60 3ifs h PRO 52 N 0.58 0.00 0.00 5.25 0.11 -1.83 -1.62 132.00 134.49 3ifs h PRO 52 Ca 0.55 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 66.35 3ifs h PRO 52 Cb 0.92 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.97 3ifs h PRO 52 CO -0.43 0.00 -2.15 1.28 -0.21 0.00 0.00 178.00 176.49 3ifs n LEU 53 N -2.91 2.66 -1.51 2.35 4.77 -0.39 -4.67 117.00 117.31 3ifs n LEU 53 Ca -0.02 -0.10 0.09 0.00 -0.03 0.00 0.00 56.01 55.95 3ifs n LEU 53 Cb 0.09 -0.59 0.34 0.00 -2.33 0.00 0.00 43.42 40.93 3ifs n LEU 53 CO 0.19 0.80 0.80 0.00 -1.33 0.00 0.00 177.39 177.85 3ifs n GLN 54 N -3.04 3.68 -1.45 3.23 6.02 -0.56 -5.01 117.38 120.26 3ifs n GLN 54 Ca -0.35 -2.86 -0.36 0.00 -0.01 0.00 0.00 57.00 53.43 3ifs n GLN 54 Cb 0.90 -1.87 0.08 0.00 1.02 0.00 0.00 30.24 30.37 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 1.00 1.05 -1.67 1.08 4.11 -0.62 -4.84 117.16 117.27 3ifs n TYR 55 Ca 0.25 0.41 -0.43 0.00 -0.00 0.00 0.00 57.90 58.13 3ifs n TYR 55 Cb 0.87 -2.13 -0.03 0.00 -0.00 0.00 0.00 39.34 38.05 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 -1.59 5.60 0.14 9.48 -1.08 -1.26 -4.88 116.67 123.08 3ifs s ASP 56 Ca 0.76 1.87 -0.11 0.00 -0.52 0.00 0.00 52.55 54.55 3ifs s ASP 56 Cb -0.35 -2.51 -0.05 0.00 -1.46 0.00 0.00 42.92 38.54 3ifs s ASP 56 CO 0.47 -1.85 1.45 0.11 0.52 0.00 0.00 175.17 175.88 3ifs h LYS 57 N 14.39 0.92 -0.59 4.34 1.79 -1.98 -1.48 116.57 133.96 3ifs h LYS 57 Ca -0.41 -0.52 -0.10 0.00 -2.18 0.00 0.00 60.65 57.45 3ifs h LYS 57 Cb 1.23 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.89 3ifs h LYS 57 CO 0.97 1.16 -0.03 0.93 -1.08 0.00 0.00 179.45 181.41 3ifs h GLU 58 N 0.73 1.07 -0.29 3.15 3.07 -2.00 -1.74 114.58 118.56 3ifs h GLU 58 Ca 0.05 -0.35 -0.10 0.00 -0.50 0.00 0.00 59.36 58.45 3ifs h GLU 58 Cb 1.04 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.85 3ifs h GLU 58 CO 0.10 1.06 -0.25 1.49 -1.40 0.00 0.00 179.01 180.01 3ifs h GLU 59 N 0.96 0.57 -0.68 2.33 4.81 -1.95 -1.78 114.58 118.85 3ifs h GLU 59 Ca 0.16 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 3ifs h GLU 59 Cb 0.59 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 3ifs h GLU 59 CO 0.04 0.77 0.31 0.35 -0.73 0.00 0.00 179.01 179.75 3ifs h PHE 60 N 0.50 1.00 -0.74 0.92 3.04 -0.96 0.10 116.94 120.81 3ifs h PHE 60 Ca 0.07 -0.06 -0.04 0.00 3.98 0.00 0.00 57.97 61.93 3ifs h PHE 60 Cb 0.70 -0.31 -0.03 0.00 2.56 0.00 0.00 35.95 38.87 3ifs h PHE 60 CO 0.03 0.76 0.32 0.00 -2.02 0.00 0.00 178.31 177.40 3ifs h ALA 61 N 1.15 0.95 -0.28 2.41 0.00 -1.08 -2.54 119.26 119.87 3ifs h ALA 61 Ca 0.23 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3ifs h ALA 61 Cb 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3ifs h ALA 61 CO -0.03 0.55 -0.19 -0.09 0.00 0.00 0.00 179.25 179.49 3ifs h ARG 62 N 1.05 0.50 -0.25 0.00 2.43 -0.61 -1.94 114.38 115.55 3ifs h ARG 62 Ca 0.25 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3ifs h ARG 62 Cb 0.17 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3ifs h ARG 62 CO -0.03 0.67 0.16 0.82 -1.51 0.00 0.00 179.97 180.08 3ifs h ILE 63 N 0.45 1.08 -0.93 1.20 2.04 -0.61 0.41 117.51 121.16 3ifs h ILE 63 Ca 0.07 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3ifs h ILE 63 Cb 0.59 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 3ifs h ILE 63 CO 0.04 0.08 0.59 1.56 0.00 0.00 0.00 178.15 180.41 3ifs h GLN 64 N 0.32 1.24 -0.32 2.37 4.20 -1.20 0.80 115.11 122.52 3ifs h GLN 64 Ca 0.09 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 3ifs h GLN 64 Cb -0.01 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.49 3ifs h GLN 64 CO -0.02 0.84 -0.05 -0.22 -0.67 0.00 0.00 178.83 178.72 3ifs h LYS 65 N 1.27 0.59 -0.45 1.46 3.64 -0.81 -1.87 116.57 120.39 3ifs h LYS 65 Ca 0.34 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 3ifs h LYS 65 Cb -0.10 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 3ifs h LYS 65 CO -0.07 0.76 0.03 0.00 -2.27 0.00 0.00 179.45 177.90 3ifs h ALA 67 N 1.35 0.63 -0.41 0.00 0.00 -0.67 -1.27 119.26 118.90 3ifs h ALA 67 Ca 0.14 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3ifs h ALA 67 Cb 0.38 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3ifs h ALA 67 CO 0.01 0.25 -0.06 0.93 0.00 0.00 0.00 179.25 180.38 3ifs h GLU 68 N 0.65 0.69 -0.03 0.00 4.39 -1.12 -1.31 114.58 117.85 3ifs h GLU 68 Ca 0.16 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3ifs h GLU 68 Cb 0.20 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3ifs h GLU 68 CO -0.01 0.75 0.02 -0.22 -1.16 0.00 0.00 179.01 178.39 3ifs h LYS 69 N 0.64 0.04 -0.56 2.33 3.64 -0.98 -2.24 116.57 119.44 3ifs h LYS 69 Ca 0.12 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3ifs h LYS 69 Cb 0.49 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 3ifs h LYS 69 CO 0.03 0.03 0.26 0.82 -2.27 0.00 0.00 179.45 178.32 3ifs h ILE 70 N 0.04 1.21 -0.28 2.00 2.04 -1.10 -1.50 117.51 119.92 3ifs h ILE 70 Ca 0.01 -0.60 0.02 0.00 1.00 0.00 0.00 64.86 65.29 3ifs h ILE 70 Cb -0.00 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3ifs h ILE 70 CO -0.00 0.24 0.19 0.11 0.00 0.00 0.00 178.15 178.69 3ifs h LYS 71 N 0.75 0.29 0.00 2.37 1.57 -1.12 -0.84 116.57 119.59 3ifs h LYS 71 Ca 0.19 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3ifs h LYS 71 Cb 0.14 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3ifs h LYS 71 CO -0.02 0.19 -0.60 -0.97 -0.57 0.00 0.00 179.45 177.48 3ifs h ASN 72 N 0.30 0.00 0.00 0.86 -1.24 -0.75 -3.39 115.58 111.36 3ifs h ASN 72 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.12 3ifs h ASN 72 Cb 0.09 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.14 3ifs h ASN 72 CO -0.02 0.05 0.00 -0.90 -1.29 0.00 0.00 177.43 175.27 3ifs n ASP 73 N -2.88 1.13 -3.98 1.15 5.68 -0.63 -5.05 116.55 111.97 3ifs n ASP 73 Ca 0.01 -1.20 -0.19 0.00 -0.50 0.00 0.00 54.79 52.90 3ifs n ASP 73 Cb 0.57 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.39 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 -0.20 1.04 0.16 -1.12 0.01 -0.35 -4.65 113.70 108.59 3ifs s SER 74 Ca 0.00 -0.16 0.09 0.00 1.31 0.00 0.00 55.95 57.19 3ifs s SER 74 Cb 0.00 -0.27 -0.10 0.00 0.21 0.00 0.00 66.02 65.86 3ifs s SER 74 CO 0.00 0.05 1.34 0.44 0.41 0.00 0.00 173.24 175.49 3ifs h ASP 75 N 6.39 0.00 -3.71 2.44 3.32 -1.01 -3.41 116.42 120.43 3ifs h ASP 75 Ca -0.33 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.47 3ifs h ASP 75 Cb 1.17 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.43 3ifs h ASP 75 CO 0.49 0.88 -0.73 -0.63 -1.72 0.00 0.00 179.24 177.54 3ifs s ILE 76 N -2.85 0.04 -0.20 0.35 1.01 -0.86 -1.12 121.20 117.57 3ifs s ILE 76 Ca 0.01 0.01 -0.04 0.00 0.00 0.00 0.00 60.65 60.63 3ifs s ILE 76 Cb 0.10 -0.07 -0.02 0.00 0.01 0.00 0.00 42.46 42.48 3ifs s ILE 76 CO 0.80 0.03 -0.02 -0.22 0.00 0.00 0.00 174.94 175.53 3ifs s LEU 77 N 0.18 3.14 -0.32 2.97 2.96 0.30 -1.76 118.68 126.15 3ifs s LEU 77 Ca -0.01 -0.25 -0.10 0.00 -0.22 0.00 0.00 54.13 53.54 3ifs s LEU 77 Cb -0.03 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 3ifs s LEU 77 CO -0.01 0.05 0.17 -0.22 -1.32 0.00 0.00 176.35 175.03 3ifs s LEU 78 N 1.05 4.18 -0.25 -0.68 2.96 0.00 -1.43 118.68 124.51 3ifs s LEU 78 Ca 0.02 -0.50 -0.15 0.00 -0.22 0.00 0.00 54.13 53.28 3ifs s LEU 78 Cb -0.14 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 3ifs s LEU 78 CO 0.01 -0.20 0.36 -0.69 -1.32 0.00 0.00 176.35 174.51 3ifs s VAL 79 N 1.63 5.20 -0.33 1.68 1.01 0.17 -1.03 120.40 128.73 3ifs s VAL 79 Ca 0.05 0.56 -0.07 0.00 0.00 0.00 0.00 61.98 62.52 3ifs s VAL 79 Cb -0.17 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.55 3ifs s VAL 79 CO 0.07 0.20 0.11 -0.69 0.00 0.00 0.00 175.10 174.79 3ifs s VAL 80 N 1.78 3.93 0.00 2.92 1.01 -0.14 -1.61 120.40 128.29 3ifs s VAL 80 Ca 0.15 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3ifs s VAL 80 Cb -0.15 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.07 3ifs s VAL 80 CO 0.09 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.70 3ifs n GLY 81 N 4.85 0.17 3.26 4.51 0.00 -0.99 -0.16 105.19 116.82 3ifs n GLY 81 Ca -0.13 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 3ifs n GLY 81 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ifs s ILE 82 N -2.00 0.11 0.00 -0.61 2.07 -1.26 -3.04 121.20 116.47 3ifs s ILE 82 Ca 0.00 -1.16 0.00 0.00 -1.41 0.00 0.00 60.65 58.08 3ifs s ILE 82 Cb 0.00 -1.46 0.00 0.00 0.13 0.00 0.00 42.46 41.13 3ifs s ILE 82 CO 0.00 -0.51 0.00 0.61 -1.91 0.00 0.00 174.94 173.13 3ifs n GLY 83 N -0.12 3.24 0.34 1.50 0.00 -1.26 -1.34 105.19 107.55 3ifs n GLY 83 Ca -0.13 0.08 0.17 0.00 0.00 0.00 0.00 46.02 46.14 3ifs n GLY 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ifs h GLY 84 N 0.00 0.00 -1.93 -0.02 0.00 -1.97 0.42 103.07 99.57 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 -3.83 2.85 0.05 0.19 7.64 -0.45 -4.52 113.62 115.55 3ifs n SER 85 Ca 0.02 -2.11 0.00 0.00 1.01 0.00 0.00 58.87 57.79 3ifs n SER 85 Cb 0.35 -0.38 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 0.82 -0.75 -0.12 1.43 9.36 0.03 -4.31 117.16 123.61 3ifs n TYR 86 Ca 0.16 0.13 -0.04 0.00 3.32 0.00 0.00 57.90 61.48 3ifs n TYR 86 Cb 0.49 0.31 0.17 0.00 -0.63 0.00 0.00 39.34 39.69 3ifs n TYR 86 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3ifs h LEU 87 N 0.00 0.77 -0.11 2.98 3.38 -1.49 -2.09 115.31 118.75 3ifs h LEU 87 Ca 0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3ifs h LEU 87 Cb 0.22 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3ifs h LEU 87 CO 0.00 0.80 0.04 1.23 0.09 0.00 0.00 178.44 180.60 3ifs h GLY 88 N 0.97 0.17 0.95 0.83 0.00 -1.81 0.18 103.07 104.36 3ifs h GLY 88 Ca 0.16 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 3ifs h GLY 88 CO 0.01 0.09 0.12 0.00 0.00 0.00 0.00 176.54 176.76 3ifs h ALA 89 N 0.87 0.58 -0.56 3.60 0.00 -1.84 -1.91 119.26 119.99 3ifs h ALA 89 Ca 0.03 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3ifs h ALA 89 Cb 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3ifs h ALA 89 CO -0.00 0.24 0.13 -0.09 0.00 0.00 0.00 179.25 179.53 3ifs h ARG 90 N 0.57 0.90 -0.42 0.00 2.43 -1.27 -0.30 114.38 116.30 3ifs h ARG 90 Ca 0.14 -0.22 0.06 0.00 -0.81 0.00 0.00 59.98 59.15 3ifs h ARG 90 Cb 0.29 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 3ifs h ARG 90 CO -0.00 0.85 0.10 0.00 -1.51 0.00 0.00 179.97 179.41 3ifs h ALA 91 N 1.02 0.47 -0.17 2.80 0.00 -0.51 -1.38 119.26 121.48 3ifs h ALA 91 Ca 0.18 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3ifs h ALA 91 Cb 0.36 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3ifs h ALA 91 CO 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 179.25 178.95 3ifs h ALA 92 N 1.30 0.23 -0.59 0.00 0.00 -1.06 -3.24 119.26 115.90 3ifs h ALA 92 Ca 0.20 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3ifs h ALA 92 Cb 0.23 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3ifs h ALA 92 CO -0.24 -0.04 0.39 0.82 0.00 0.00 0.00 179.25 180.18 3ifs h ILE 93 N 0.05 1.15 0.00 0.00 2.04 -0.90 -1.81 117.51 118.04 3ifs h ILE 93 Ca 0.05 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3ifs h ILE 93 Cb 0.41 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3ifs h ILE 93 CO 0.01 0.15 0.00 -0.62 0.00 0.00 0.00 178.15 177.69 3ifs n GLU 94 N -4.68 0.77 0.00 2.37 1.02 -0.53 -1.71 120.64 117.88 3ifs n GLU 94 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3ifs n GLU 94 Cb 0.02 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 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 0.66 0.00 -4.85 -4.62 4.77 -0.68 -4.78 117.00 107.50 3ifs n LEU 96 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 3ifs n LEU 96 Cb 0.39 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 3ifs n LEU 96 CO 0.00 0.00 -0.03 0.20 -1.33 0.00 0.00 177.39 176.23 3ifs s ASN 97 N 0.00 4.92 0.23 -1.43 0.01 -0.69 -5.03 114.94 112.94 3ifs s ASN 97 Ca 0.00 -0.82 -0.30 0.00 -0.71 0.00 0.00 52.86 51.03 3ifs s ASN 97 Cb 0.00 -0.52 -0.15 0.00 0.41 0.00 0.00 41.25 40.99 3ifs s ASN 97 CO 0.00 -0.65 1.05 1.57 -1.51 0.00 0.00 177.10 177.56 3ifs n HIS 98 N -1.50 1.18 0.30 2.20 -0.00 -1.26 -4.84 115.22 111.29 3ifs n HIS 98 Ca 0.03 0.71 0.19 0.00 -0.00 0.00 0.00 57.72 58.64 3ifs n HIS 98 Cb 0.62 -2.25 0.99 0.00 -0.00 0.00 0.00 29.99 29.35 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 2.53 0.00 -0.17 0.26 0.02 -1.97 -1.53 113.55 112.69 3ifs h SER 99 Ca -0.40 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.40 3ifs h SER 99 Cb 1.35 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.71 3ifs h SER 99 CO 0.64 0.00 -0.69 0.49 -1.14 0.00 0.00 176.83 176.13 3ifs n PHE 100 N -3.30 0.59 -0.23 3.45 3.01 -1.26 -4.95 117.46 114.77 3ifs n PHE 100 Ca -0.01 -1.49 -0.06 0.00 1.01 0.00 0.00 57.45 56.89 3ifs n PHE 100 Cb 0.22 -0.25 -0.05 0.00 -0.01 0.00 0.00 39.48 39.39 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 -0.72 -0.24 0.40 1.38 9.36 -0.58 -0.65 117.16 126.11 3ifs n TYR 101 Ca 0.21 0.68 0.13 0.00 3.32 0.00 0.00 57.90 62.24 3ifs n TYR 101 Cb 0.83 -0.52 0.51 0.00 -0.63 0.00 0.00 39.34 39.54 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 0.12 2.98 2.35 -1.92 -2.94 115.58 116.17 3ifs h ASN 102 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3ifs h ASN 102 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3ifs h ASN 102 CO -0.51 0.00 -0.73 0.35 -1.65 0.00 0.00 177.43 174.89 3ifs n THR 103 N -2.43 0.00 -0.94 2.81 -2.24 0.18 -4.93 114.28 106.72 3ifs n THR 103 Ca 0.02 -0.06 -0.30 0.00 -2.27 0.00 0.00 64.05 61.43 3ifs n THR 103 Cb 0.27 0.85 0.15 0.00 -2.10 0.00 0.00 70.33 69.50 3ifs n THR 103 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3ifs s LEU 104 N -2.85 2.51 0.75 3.22 1.43 -0.77 -5.02 118.68 117.95 3ifs s LEU 104 Ca 0.12 1.85 -0.12 0.00 -1.03 0.00 0.00 54.13 54.96 3ifs s LEU 104 Cb 0.17 -4.26 0.04 0.00 0.03 0.00 0.00 46.19 42.17 3ifs s LEU 104 CO 0.74 -2.86 1.11 -0.94 0.23 0.00 0.00 176.35 174.63 3ifs s SER 105 N -3.01 4.97 0.17 2.29 1.04 -1.26 -4.82 113.70 113.08 3ifs s SER 105 Ca 0.65 1.14 -0.14 0.00 0.48 0.00 0.00 55.95 58.07 3ifs s SER 105 Cb -0.20 -1.87 0.14 0.00 0.10 0.00 0.00 66.02 64.18 3ifs s SER 105 CO 0.58 -1.65 1.72 0.11 0.98 0.00 0.00 173.24 174.98 3ifs h LYS 106 N -0.87 0.21 -0.66 4.02 1.57 -1.95 -0.12 116.57 118.77 3ifs h LYS 106 Ca -0.46 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3ifs h LYS 106 Cb 1.27 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.50 3ifs h LYS 106 CO 0.63 0.14 0.42 0.93 -0.57 0.00 0.00 179.45 181.00 3ifs h GLU 107 N 0.22 0.89 -0.34 3.15 3.07 -1.96 -0.29 114.58 119.32 3ifs h GLU 107 Ca 0.22 -0.07 -0.08 0.00 -0.50 0.00 0.00 59.36 58.93 3ifs h GLU 107 Cb 0.27 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 3ifs h GLU 107 CO -0.28 0.61 -0.11 1.96 -1.40 0.00 0.00 179.01 179.79 3ifs h GLN 108 N 0.90 0.67 -0.12 2.33 4.20 -1.76 -3.33 115.11 118.00 3ifs h GLN 108 Ca 0.24 -0.27 -0.13 0.00 0.06 0.00 0.00 58.65 58.55 3ifs h GLN 108 Cb -0.06 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.69 3ifs h GLN 108 CO -0.05 0.85 -0.44 -0.09 -0.67 0.00 0.00 178.83 178.43 3ifs h ARG 109 N 0.46 0.52 0.00 1.46 2.43 -0.86 -3.48 114.38 114.91 3ifs h ARG 109 Ca 0.08 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 3ifs h ARG 109 Cb 0.62 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3ifs h ARG 109 CO 0.04 1.01 0.00 1.63 -1.51 0.00 0.00 179.97 181.14 3ifs n LYS 110 N -4.27 0.00 -3.45 0.20 5.02 -0.13 -4.93 118.16 110.60 3ifs n LYS 110 Ca -0.07 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.00 3ifs n LYS 110 Cb 0.56 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.58 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 -0.08 2.29 0.75 -0.18 -4.23 -1.26 -5.03 115.64 107.89 3ifs s THR 111 Ca 0.00 -1.25 -0.11 0.00 -1.18 0.00 0.00 61.69 59.15 3ifs s THR 111 Cb 0.00 -2.54 0.04 0.00 1.34 0.00 0.00 72.50 71.34 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 -4.34 2.48 0.54 3.99 0.02 -1.26 -5.01 135.00 131.42 3ifs s PRO 112 Ca 0.49 0.97 -0.19 0.00 0.02 0.00 0.00 61.00 62.28 3ifs s PRO 112 Cb -0.04 -1.94 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 3ifs s PRO 112 CO 0.30 -1.43 1.10 -0.65 -0.33 0.00 0.00 177.00 175.99 3ifs s GLN 113 N -5.01 3.42 -0.20 5.54 -0.21 -0.28 -4.83 119.66 118.09 3ifs s GLN 113 Ca 0.60 1.49 0.01 0.00 0.02 0.00 0.00 55.36 57.47 3ifs s GLN 113 Cb -0.15 -2.03 0.04 0.00 1.00 0.00 0.00 33.01 31.87 3ifs s GLN 113 CO 0.55 -0.77 -0.10 0.08 -2.12 0.00 0.00 175.29 172.93 3ifs s VAL 114 N -1.94 1.64 0.14 1.09 1.01 -1.26 -0.54 120.40 120.54 3ifs s VAL 114 Ca 0.70 -1.03 0.10 0.00 0.00 0.00 0.00 61.98 61.75 3ifs s VAL 114 Cb -0.21 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 3ifs s VAL 114 CO 0.27 0.15 -0.21 -0.76 0.00 0.00 0.00 175.10 174.55 3ifs s LEU 115 N 1.39 2.56 -0.05 3.92 1.43 -0.52 -4.98 118.68 122.43 3ifs s LEU 115 Ca -0.02 -0.67 0.06 0.00 -1.03 0.00 0.00 54.13 52.47 3ifs s LEU 115 Cb -0.16 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 44.65 3ifs s LEU 115 CO -0.08 0.16 -0.22 -0.36 0.23 0.00 0.00 176.35 176.09 3ifs s PHE 116 N -1.24 2.50 0.12 0.29 0.40 -1.26 -0.66 117.98 118.12 3ifs s PHE 116 Ca 0.18 -0.47 -0.08 0.00 -0.60 0.00 0.00 56.93 55.96 3ifs s PHE 116 Cb -0.10 -1.59 -0.01 0.00 0.51 0.00 0.00 43.02 41.84 3ifs s PHE 116 CO 0.09 -0.05 0.21 0.54 0.70 0.00 0.00 175.22 176.71 3ifs s VAL 117 N -0.44 0.12 0.00 -0.44 0.11 -0.63 -4.88 120.40 114.24 3ifs s VAL 117 Ca 0.05 -1.31 0.00 0.00 -2.93 0.00 0.00 61.98 57.78 3ifs s VAL 117 Cb -0.12 -1.56 0.00 0.00 -1.53 0.00 0.00 36.38 33.17 3ifs s VAL 117 CO 0.01 -0.53 0.00 0.61 -3.33 0.00 0.00 175.10 171.87 3ifs n GLY 118 N -0.11 0.71 0.89 6.54 0.00 -1.26 -2.36 105.19 109.60 3ifs n GLY 118 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.48 2.20 -3.92 1.61 0.00 -1.17 -2.71 117.38 110.91 3ifs n GLN 119 Ca 0.00 -1.77 -0.14 0.00 0.00 0.00 0.00 57.00 55.09 3ifs n GLN 119 Cb 0.00 -1.47 -0.02 0.00 0.00 0.00 0.00 30.24 28.75 3ifs n GLN 119 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 3ifs n ASN 120 N 1.07 -1.51 -2.38 2.61 0.23 -1.26 -4.94 115.26 109.08 3ifs n ASN 120 Ca 0.17 -2.82 -0.19 0.00 -0.53 0.00 0.00 54.58 51.20 3ifs n ASN 120 Cb 0.53 2.73 0.02 0.00 -2.08 0.00 0.00 39.78 40.98 3ifs n ASN 120 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 3ifs n ILE 121 N -0.57 2.06 -3.58 1.53 5.41 -1.26 -4.87 119.36 118.09 3ifs n ILE 121 Ca -0.01 -4.05 -0.40 0.00 1.00 0.00 0.00 62.75 59.29 3ifs n ILE 121 Cb 0.58 -0.52 -0.11 0.00 -0.71 0.00 0.00 39.64 38.89 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 5.82 0.37 4.38 0.15 -1.26 -4.94 113.70 114.65 3ifs s SER 122 Ca 0.43 -0.65 0.13 0.00 0.70 0.00 0.00 55.95 56.56 3ifs s SER 122 Cb 0.40 -2.07 0.71 0.00 -1.71 0.00 0.00 66.02 63.35 3ifs s SER 122 CO -0.04 -0.28 1.81 0.77 1.20 0.00 0.00 173.24 176.70 3ifs h SER 123 N 8.45 0.00 -0.24 5.45 4.64 -2.05 -2.89 113.55 126.91 3ifs h SER 123 Ca -0.30 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.01 3ifs h SER 123 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 3ifs h SER 123 CO 0.65 0.38 0.08 0.74 -0.87 0.00 0.00 176.83 177.81 3ifs h THR 124 N 0.00 1.19 0.00 2.95 2.02 -2.04 0.11 112.91 117.13 3ifs h THR 124 Ca -0.00 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.59 3ifs h THR 124 Cb 0.69 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 3ifs h THR 124 CO 0.05 0.19 0.00 0.00 0.37 0.00 0.00 175.52 176.13 3ifs n TYR 125 N -4.77 0.00 0.00 3.16 4.19 -1.09 -1.46 117.16 117.18 3ifs n TYR 125 Ca -0.03 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.18 3ifs n TYR 125 Cb 0.15 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.98 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 0.20 0.00 -0.16 2.98 3.00 0.39 -1.19 118.16 123.38 3ifs n LYS 127 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 3ifs n LYS 127 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 35.03 35.19 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 0.84 0.00 3.14 3.32 -1.47 -3.25 116.42 119.00 3ifs h ASP 128 Ca 0.00 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 3ifs h ASP 128 Cb 0.00 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 3ifs h ASP 128 CO 0.00 0.81 0.04 -0.11 -1.72 0.00 0.00 179.24 178.26 3ifs n LEU 129 N -4.27 1.18 0.00 1.55 7.94 -0.33 -3.44 117.00 119.63 3ifs n LEU 129 Ca 0.04 -0.61 0.00 0.00 -1.11 0.00 0.00 56.01 54.34 3ifs n LEU 129 Cb 0.23 -0.26 0.00 0.00 0.53 0.00 0.00 43.42 43.92 3ifs n LEU 129 CO 0.40 0.19 0.00 0.47 -1.11 0.00 0.00 177.39 177.35 3ifs n ASP 131 N 2.02 0.00 0.09 1.96 8.00 -1.23 -2.21 116.55 125.19 3ifs n ASP 131 Ca 0.01 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.48 3ifs n ASP 131 Cb 0.12 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.39 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 1.36 0.00 2.53 2.07 -1.91 -3.13 116.25 117.17 3ifs h VAL 132 Ca 0.00 -1.81 -0.13 0.00 0.82 0.00 0.00 66.70 65.58 3ifs h VAL 132 Cb 0.00 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 3ifs h VAL 132 CO 0.00 0.53 -0.61 -0.07 0.02 0.00 0.00 177.57 177.45 3ifs h LEU 133 N 0.17 0.00 -9.20 2.57 3.38 -1.78 -3.45 115.31 107.01 3ifs h LEU 133 Ca 0.00 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.26 3ifs h LEU 133 Cb 0.99 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.77 3ifs h LEU 133 CO 0.08 0.61 0.75 1.21 0.09 0.00 0.00 178.44 181.17 3ifs n GLU 134 N -3.60 1.20 -1.01 1.13 4.07 -1.19 -1.23 120.64 120.01 3ifs n GLU 134 Ca -0.00 0.44 -0.00 0.00 -0.06 0.00 0.00 57.16 57.53 3ifs n GLU 134 Cb 0.65 -2.11 -0.00 0.00 -0.06 0.00 0.00 31.44 29.92 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 3.59 0.44 3.40 8.31 0.00 -1.26 -5.02 105.19 114.64 3ifs n GLY 135 Ca 0.23 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.61 1.46 0.05 1.61 -0.14 -0.37 -5.12 119.74 116.62 3ifs s LYS 136 Ca 0.00 -1.49 -0.22 0.00 -1.36 0.00 0.00 55.97 52.90 3ifs s LYS 136 Cb 0.00 -1.74 -0.06 0.00 -1.68 0.00 0.00 37.83 34.35 3ifs s LYS 136 CO 0.00 0.37 0.66 -0.51 -0.76 0.00 0.00 175.35 175.12 3ifs s ASP 137 N -2.62 7.11 0.13 2.83 1.01 -1.26 -4.96 116.67 118.91 3ifs s ASP 137 Ca 0.19 1.33 -0.05 0.00 0.71 0.00 0.00 52.55 54.73 3ifs s ASP 137 Cb -0.08 -2.41 -0.02 0.00 1.01 0.00 0.00 42.92 41.42 3ifs s ASP 137 CO 0.09 0.13 0.16 0.72 0.21 0.00 0.00 175.17 176.47 3ifs s PHE 138 N -0.46 0.56 0.17 4.23 -0.71 -1.26 -0.38 117.98 120.12 3ifs s PHE 138 Ca 0.33 -0.96 0.04 0.00 -1.04 0.00 0.00 56.93 55.31 3ifs s PHE 138 Cb -0.20 -0.25 -0.05 0.00 -1.21 0.00 0.00 43.02 41.31 3ifs s PHE 138 CO 0.20 -0.59 -0.08 -1.12 -1.34 0.00 0.00 175.22 172.29 3ifs s SER 139 N -2.98 1.79 -0.05 1.98 0.01 -0.72 -4.95 113.70 108.77 3ifs s SER 139 Ca 0.18 -1.06 0.04 0.00 1.31 0.00 0.00 55.95 56.41 3ifs s SER 139 Cb 0.05 -0.00 -0.00 0.00 0.21 0.00 0.00 66.02 66.28 3ifs s SER 139 CO -0.01 -0.38 -0.16 -0.63 0.41 0.00 0.00 173.24 172.47 3ifs s ILE 140 N -3.35 1.36 -0.35 1.44 1.01 0.60 -0.82 121.20 121.08 3ifs s ILE 140 Ca 0.20 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.19 3ifs s ILE 140 Cb 0.03 -1.18 0.09 0.00 0.01 0.00 0.00 42.46 41.42 3ifs s ILE 140 CO 0.02 0.40 0.08 0.21 0.00 0.00 0.00 174.94 175.65 3ifs s ASN 141 N 0.14 4.92 -0.15 3.58 3.04 -0.20 -0.93 114.94 125.34 3ifs s ASN 141 Ca -0.06 -1.90 -0.19 0.00 0.04 0.00 0.00 52.86 50.75 3ifs s ASN 141 Cb -0.12 -1.70 -0.04 0.00 -1.54 0.00 0.00 41.25 37.85 3ifs s ASN 141 CO 0.02 -0.40 0.51 0.54 -3.04 0.00 0.00 177.10 174.74 3ifs s VAL 142 N 1.05 5.14 -0.09 -5.21 0.11 -0.19 -0.97 120.40 120.25 3ifs s VAL 142 Ca 0.06 0.99 0.01 0.00 -2.93 0.00 0.00 61.98 60.11 3ifs s VAL 142 Cb -0.20 -3.85 0.02 0.00 -1.53 0.00 0.00 36.38 30.82 3ifs s VAL 142 CO -0.05 0.26 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.25 3ifs s ILE 143 N 1.04 1.07 -0.30 7.04 1.01 0.77 -1.13 121.20 130.69 3ifs s ILE 143 Ca 0.26 -0.37 -0.12 0.00 0.00 0.00 0.00 60.65 60.43 3ifs s ILE 143 Cb -0.15 -1.04 0.13 0.00 0.01 0.00 0.00 42.46 41.41 3ifs s ILE 143 CO 0.11 0.36 0.73 -0.55 0.00 0.00 0.00 174.94 175.59 3ifs s SER 144 N 1.26 -0.99 0.01 3.58 0.15 -0.60 -4.39 113.70 112.72 3ifs s SER 144 Ca -0.03 1.39 -0.23 0.00 0.70 0.00 0.00 55.95 57.77 3ifs s SER 144 Cb -0.14 2.07 -0.17 0.00 -1.71 0.00 0.00 66.02 66.07 3ifs s SER 144 CO -0.03 -0.20 1.32 0.50 1.20 0.00 0.00 173.24 176.03 3ifs h LYS 145 N 7.76 0.17 -0.02 5.44 3.64 -1.94 -3.21 116.57 128.40 3ifs h LYS 145 Ca -0.19 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 58.97 3ifs h LYS 145 Cb 1.12 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 3ifs h LYS 145 CO 0.10 0.59 -0.65 0.66 -2.27 0.00 0.00 179.45 177.88 3ifs h SER 146 N -0.25 0.12 0.00 4.20 4.64 -1.97 -3.30 113.55 116.99 3ifs h SER 146 Ca 0.01 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3ifs h SER 146 Cb 0.55 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3ifs h SER 146 CO 0.02 0.73 0.00 0.61 -0.87 0.00 0.00 176.83 177.32 3ifs n GLY 147 N 0.34 0.45 0.00 -0.77 0.00 -1.21 -4.18 105.19 99.82 3ifs n GLY 147 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.59 0.30 -2.08 2.61 -2.24 -1.26 -2.03 114.28 106.98 3ifs n THR 148 Ca 0.00 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 3ifs n THR 148 Cb 0.10 0.85 -0.03 0.00 -2.10 0.00 0.00 70.33 69.16 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 -0.30 3.24 0.16 4.28 2.01 -1.26 -4.93 115.64 118.84 3ifs s THR 149 Ca 0.00 0.78 -0.19 0.00 0.31 0.00 0.00 61.69 62.59 3ifs s THR 149 Cb 0.00 -3.50 0.08 0.00 0.01 0.00 0.00 72.50 69.09 3ifs s THR 149 CO 0.00 0.03 1.64 0.74 -0.69 0.00 0.00 174.62 176.34 3ifs h THR 150 N 4.55 0.45 0.18 -0.82 2.02 -1.98 -2.01 112.91 115.31 3ifs h THR 150 Ca -0.41 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 3ifs h THR 150 Cb 1.20 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 3ifs h THR 150 CO 0.90 0.00 -0.09 -0.33 0.37 0.00 0.00 175.52 176.37 3ifs h GLU 151 N -0.13 -0.24 -0.02 6.66 3.07 -1.89 -0.74 114.58 121.29 3ifs h GLU 151 Ca 0.18 0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 58.95 3ifs h GLU 151 Cb 0.40 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 3ifs h GLU 151 CO -0.44 -0.09 -0.49 -1.00 -1.40 0.00 0.00 179.01 175.59 3ifs h PRO 152 N -0.34 0.05 -0.42 2.33 0.13 -1.55 -1.98 132.00 130.23 3ifs h PRO 152 Ca -0.03 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.04 3ifs h PRO 152 Cb 0.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.37 3ifs h PRO 152 CO 0.04 0.53 0.12 0.00 -0.23 0.00 0.00 178.00 178.47 3ifs h ALA 153 N 1.47 0.55 -0.28 -0.56 0.00 -1.18 0.95 119.26 120.21 3ifs h ALA 153 Ca -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3ifs h ALA 153 Cb 0.88 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3ifs h ALA 153 CO 0.07 0.21 0.02 1.25 0.00 0.00 0.00 179.25 180.79 3ifs h LEU 154 N 0.54 0.46 -0.93 0.00 5.85 -1.05 -2.04 115.31 118.13 3ifs h LEU 154 Ca 0.13 -0.29 -0.09 0.00 0.84 0.00 0.00 57.88 58.48 3ifs h LEU 154 Cb 0.28 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3ifs h LEU 154 CO -0.00 0.64 -0.14 0.00 -0.34 0.00 0.00 178.44 178.60 3ifs h ALA 155 N 0.84 1.10 -0.32 1.25 0.00 -1.29 -2.52 119.26 118.32 3ifs h ALA 155 Ca 0.08 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3ifs h ALA 155 Cb 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ifs h ALA 155 CO 0.01 0.56 0.00 0.35 0.00 0.00 0.00 179.25 180.17 3ifs h PHE 156 N 0.57 0.62 -0.58 0.00 3.57 -0.69 -0.40 116.94 120.04 3ifs h PHE 156 Ca 0.10 -0.11 0.07 0.00 3.53 0.00 0.00 57.97 61.57 3ifs h PHE 156 Cb 0.57 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.08 3ifs h PHE 156 CO 0.02 0.69 0.25 -0.09 -2.23 0.00 0.00 178.31 176.95 3ifs h ARG 157 N 0.37 0.45 -0.05 1.11 2.43 -1.23 0.23 114.38 117.69 3ifs h ARG 157 Ca 0.09 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3ifs h ARG 157 Cb 0.44 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3ifs h ARG 157 CO 0.02 0.30 -0.01 0.82 -1.51 0.00 0.00 179.97 179.59 3ifs h ILE 158 N 0.46 1.28 0.00 1.20 2.04 -1.25 -2.91 117.51 118.34 3ifs h ILE 158 Ca 0.28 -0.86 -0.17 0.00 1.00 0.00 0.00 64.86 65.12 3ifs h ILE 158 Cb 0.28 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 3ifs h ILE 158 CO -0.25 0.23 -0.79 -0.26 0.00 0.00 0.00 178.15 177.08 3ifs h PHE 159 N -0.24 0.00 -0.38 1.37 0.04 -0.92 -2.76 116.94 114.05 3ifs h PHE 159 Ca 0.01 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.79 3ifs h PHE 159 Cb 0.37 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 3ifs h PHE 159 CO 0.05 0.79 0.25 -0.09 -0.60 0.00 0.00 178.31 178.71 3ifs h ARG 160 N 0.00 0.50 -0.61 1.51 2.43 -0.63 -0.47 114.38 117.11 3ifs h ARG 160 Ca -0.01 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3ifs h ARG 160 Cb 1.49 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.90 3ifs h ARG 160 CO 0.10 0.33 0.40 -0.22 -1.51 0.00 0.00 179.97 179.07 3ifs h LYS 161 N 0.51 0.79 -0.63 0.20 3.11 -1.46 -0.04 116.57 119.05 3ifs h LYS 161 Ca 0.14 -0.05 0.03 0.00 -2.81 0.00 0.00 60.65 57.97 3ifs h LYS 161 Cb -0.05 -0.18 -0.04 0.00 -1.00 0.00 0.00 32.23 30.96 3ifs h LYS 161 CO -0.04 0.52 0.38 1.25 -2.81 0.00 0.00 179.45 178.76 3ifs h LEU 162 N 0.81 0.61 -0.42 5.20 5.85 -1.16 0.15 115.31 126.35 3ifs h LEU 162 Ca 0.23 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.90 3ifs h LEU 162 Cb -0.08 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3ifs h LEU 162 CO -0.06 0.42 0.06 0.25 -0.34 0.00 0.00 178.44 178.78 3ifs h LEU 163 N 0.74 0.67 -0.66 2.25 5.85 -0.59 -2.49 115.31 121.08 3ifs h LEU 163 Ca 0.26 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3ifs h LEU 163 Cb 0.05 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3ifs h LEU 163 CO -0.12 0.76 0.26 -0.33 -0.34 0.00 0.00 178.44 178.68 3ifs h GLU 164 N 0.55 0.98 -0.92 1.25 5.08 -0.49 -0.59 114.58 120.43 3ifs h GLU 164 Ca 0.13 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3ifs h GLU 164 Cb 0.38 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 3ifs h GLU 164 CO 0.01 0.82 0.61 1.05 -1.00 0.00 0.00 179.01 180.49 3ifs h GLU 165 N 0.92 1.14 0.00 2.33 4.11 -0.57 0.20 114.58 122.71 3ifs h GLU 165 Ca 0.22 -0.07 -0.06 0.00 0.07 0.00 0.00 59.36 59.52 3ifs h GLU 165 Cb 0.20 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3ifs h GLU 165 CO -0.02 0.75 -0.24 -0.22 0.07 0.00 0.00 179.01 179.36 3ifs h LYS 166 N 1.17 0.15 0.00 1.06 3.64 -1.06 -3.40 116.57 118.13 3ifs h LYS 166 Ca 0.36 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3ifs h LYS 166 Cb -0.01 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3ifs h LYS 166 CO -0.11 0.92 -1.32 0.66 -2.27 0.00 0.00 179.45 177.34 3ifs n TYR 167 N -4.51 0.00 0.00 1.91 4.01 -0.26 -5.12 117.16 113.19 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 0.50 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 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 1.43 -0.73 0.06 2.72 0.00 0.70 -4.33 105.19 105.04 3ifs n GLY 168 Ca 0.00 -1.65 -0.11 0.00 0.00 0.00 0.00 46.02 44.26 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 0.03 -0.28 1.61 1.79 -1.94 -2.04 116.57 115.75 3ifs h LYS 169 Ca 0.00 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 3ifs h LYS 169 Cb 0.00 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 3ifs h LYS 169 CO 0.00 0.02 0.07 1.49 -1.08 0.00 0.00 179.45 179.95 3ifs h GLU 170 N 0.03 0.44 -0.08 3.15 4.57 -1.98 -0.09 114.58 120.61 3ifs h GLU 170 Ca 0.03 -0.10 -0.11 0.00 -1.18 0.00 0.00 59.36 58.00 3ifs h GLU 170 Cb 0.04 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 3ifs h GLU 170 CO -0.06 0.52 -0.46 0.93 -1.18 0.00 0.00 179.01 178.77 3ifs h GLU 171 N 0.28 0.20 -0.51 1.92 4.39 -1.75 -2.67 114.58 116.43 3ifs h GLU 171 Ca 0.09 -0.10 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 3ifs h GLU 171 Cb 0.28 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 3ifs h GLU 171 CO 0.00 0.62 -0.10 0.00 -1.16 0.00 0.00 179.01 178.37 3ifs h ALA 172 N 1.37 0.86 -1.00 3.43 0.00 -1.19 -2.86 119.26 119.86 3ifs h ALA 172 Ca 0.01 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.66 3ifs h ALA 172 Cb 0.88 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 3ifs h ALA 172 CO 0.07 0.65 0.64 -0.09 0.00 0.00 0.00 179.25 180.52 3ifs h ARG 173 N 0.85 1.10 -0.03 0.00 2.43 -0.68 -0.39 114.38 117.65 3ifs h ARG 173 Ca 0.14 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3ifs h ARG 173 Cb 0.63 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3ifs h ARG 173 CO 0.04 0.73 0.00 1.63 -1.51 0.00 0.00 179.97 180.86 3ifs n LYS 174 N -4.53 1.21 -0.07 0.20 4.76 -1.07 -3.30 118.16 115.36 3ifs n LYS 174 Ca 0.16 -0.31 0.03 0.00 -2.87 0.00 0.00 58.31 55.32 3ifs n LYS 174 Cb 0.22 -1.37 0.07 0.00 -1.84 0.00 0.00 35.03 32.11 3ifs n LYS 174 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3ifs n ARG 175 N -0.52 2.39 -5.03 1.97 1.74 -0.18 -4.97 116.66 112.06 3ifs n ARG 175 Ca 0.17 -1.61 -0.32 0.00 -0.77 0.00 0.00 57.85 55.32 3ifs n ARG 175 Cb 0.15 -1.13 -0.16 0.00 -1.02 0.00 0.00 32.46 30.31 3ifs n ARG 175 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3ifs s ILE 176 N -0.91 2.43 -0.14 0.55 1.01 -1.08 -0.30 121.20 122.76 3ifs s ILE 176 Ca 0.10 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.87 3ifs s ILE 176 Cb 0.06 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.58 3ifs s ILE 176 CO 0.08 0.55 -0.13 -0.31 0.00 0.00 0.00 174.94 175.12 3ifs s TYR 177 N 0.37 2.04 -0.19 3.97 1.51 -0.11 -3.56 117.35 121.37 3ifs s TYR 177 Ca -0.15 -1.12 -0.04 0.00 -1.01 0.00 0.00 57.07 54.75 3ifs s TYR 177 Cb -0.17 -1.52 -0.02 0.00 -0.11 0.00 0.00 41.96 40.14 3ifs s TYR 177 CO 0.07 -0.63 -0.04 0.00 -1.11 0.00 0.00 175.55 173.85 3ifs s ALA 178 N 1.49 2.89 -0.28 3.71 0.00 -0.29 -1.02 121.76 128.26 3ifs s ALA 178 Ca 0.04 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 3ifs s ALA 178 Cb -0.13 -1.65 0.03 0.00 0.00 0.00 0.00 23.12 21.37 3ifs s ALA 178 CO -0.10 -0.17 -0.01 0.99 0.00 0.00 0.00 175.76 176.47 3ifs s THR 179 N 1.04 3.08 0.08 0.00 2.01 -0.29 -0.51 115.64 121.06 3ifs s THR 179 Ca 0.01 -1.14 -0.03 0.00 0.31 0.00 0.00 61.69 60.84 3ifs s THR 179 Cb -0.15 -2.66 0.01 0.00 0.01 0.00 0.00 72.50 69.71 3ifs s THR 179 CO 0.01 0.04 0.16 1.07 -0.69 0.00 0.00 174.62 175.21 3ifs n THR 180 N 4.68 0.00 -1.32 -0.82 5.66 -0.87 -1.55 114.28 120.05 3ifs n THR 180 Ca -0.15 -0.21 -0.35 0.00 -3.05 0.00 0.00 64.05 60.30 3ifs n THR 180 Cb 0.45 0.20 0.11 0.00 -1.55 0.00 0.00 70.33 69.54 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 -1.15 1.36 0.12 1.09 2.03 -1.25 -1.48 116.55 117.27 3ifs n ASP 181 Ca -0.02 0.67 0.02 0.00 0.52 0.00 0.00 54.79 55.98 3ifs n ASP 181 Cb 0.12 -1.52 0.38 0.00 -0.72 0.00 0.00 41.12 39.38 3ifs n ASP 181 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 3ifs h LYS 182 N -0.40 0.23 0.00 -0.67 1.63 -1.90 -3.41 116.57 112.05 3ifs h LYS 182 Ca -0.48 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.26 3ifs h LYS 182 Cb 1.31 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 3ifs h LYS 182 CO 0.48 0.39 -0.18 0.00 -3.45 0.00 0.00 179.45 176.69 3ifs n ALA 183 N -2.49 1.01 -2.58 5.00 0.00 -1.26 -5.10 120.51 115.09 3ifs n ALA 183 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 3ifs n ALA 183 Cb 0.28 0.04 -0.05 0.00 0.00 0.00 0.00 19.45 19.72 3ifs n ALA 183 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3ifs s ARG 184 N -1.01 2.58 0.00 0.00 1.70 -1.26 -4.86 118.95 116.10 3ifs s ARG 184 Ca 0.00 -1.36 0.00 0.00 -0.47 0.00 0.00 55.73 53.90 3ifs s ARG 184 Cb 0.00 -2.34 0.00 0.00 -0.57 0.00 0.00 34.95 32.04 3ifs s ARG 184 CO 0.00 0.19 0.00 0.41 -1.08 0.00 0.00 175.30 174.82 3ifs n GLY 185 N -1.20 2.11 0.28 3.88 0.00 -1.26 -4.41 105.19 104.60 3ifs n GLY 185 Ca -0.04 -1.83 -0.03 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 1.21 -0.68 4.61 0.00 -1.75 -3.11 119.26 119.53 3ifs h ALA 186 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3ifs h ALA 186 Cb 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3ifs h ALA 186 CO 0.00 0.52 0.39 1.25 0.00 0.00 0.00 179.25 181.41 3ifs h LEU 187 N 0.67 0.85 -0.78 0.00 5.85 -1.73 -0.83 115.31 119.33 3ifs h LEU 187 Ca 0.14 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3ifs h LEU 187 Cb 0.39 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3ifs h LEU 187 CO 0.01 0.69 0.35 0.50 -0.34 0.00 0.00 178.44 179.65 3ifs h LYS 188 N 0.94 1.15 -0.39 1.25 1.63 -1.78 0.16 116.57 119.53 3ifs h LYS 188 Ca 0.24 -0.19 -0.02 0.00 -0.85 0.00 0.00 60.65 59.83 3ifs h LYS 188 Cb 0.02 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.44 3ifs h LYS 188 CO -0.04 0.91 0.17 1.15 -3.45 0.00 0.00 179.45 178.19 3ifs h THR 189 N 1.12 1.19 -0.61 1.00 2.02 -1.37 -0.98 112.91 115.27 3ifs h THR 189 Ca 0.26 -0.55 -0.08 0.00 0.77 0.00 0.00 66.41 66.81 3ifs h THR 189 Cb 0.17 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 3ifs h THR 189 CO -0.03 0.20 0.08 0.25 0.37 0.00 0.00 175.52 176.39 3ifs h LEU 190 N 0.49 0.98 -0.92 2.58 6.46 -0.88 -0.63 115.31 123.39 3ifs h LEU 190 Ca 0.13 -0.27 -0.05 0.00 -0.12 0.00 0.00 57.88 57.57 3ifs h LEU 190 Cb 0.16 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 39.80 3ifs h LEU 190 CO -0.01 1.01 0.24 0.00 -0.62 0.00 0.00 178.44 179.06 3ifs h ALA 191 N 1.01 1.13 -0.33 1.25 0.00 -0.51 0.18 119.26 121.99 3ifs h ALA 191 Ca 0.18 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3ifs h ALA 191 Cb 0.46 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3ifs h ALA 191 CO 0.02 0.61 -0.00 -0.44 0.00 0.00 0.00 179.25 179.43 3ifs h ASP 192 N 1.01 0.57 -0.75 0.00 3.32 -0.92 0.34 116.42 119.99 3ifs h ASP 192 Ca 0.23 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 3ifs h ASP 192 Cb 0.24 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 3ifs h ASP 192 CO -0.01 0.75 0.26 -1.13 -1.72 0.00 0.00 179.24 177.38 3ifs h ASN 193 N 0.39 1.07 1.19 6.45 -0.73 -0.63 -2.82 115.58 120.49 3ifs h ASN 193 Ca 0.09 -0.20 0.00 0.00 1.87 0.00 0.00 56.30 58.07 3ifs h ASN 193 Cb 0.45 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 38.77 3ifs h ASN 193 CO 0.02 0.98 -0.19 -0.62 -0.37 0.00 0.00 177.43 177.25 3ifs n GLU 194 N -4.28 0.22 -2.05 6.67 -0.58 0.01 -4.96 120.64 115.66 3ifs n GLU 194 Ca 0.06 0.14 -0.05 0.00 -0.42 0.00 0.00 57.16 56.89 3ifs n GLU 194 Cb 0.21 -1.71 -0.00 0.00 -0.57 0.00 0.00 31.44 29.37 3ifs n GLU 194 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ifs n GLY 195 N 1.36 0.19 3.82 0.62 0.00 0.04 -4.95 105.19 106.26 3ifs n GLY 195 Ca 0.05 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.25 3.16 0.32 1.61 2.02 -0.80 -4.95 117.35 116.46 3ifs s TYR 196 Ca 0.00 1.50 -0.29 0.00 -0.37 0.00 0.00 57.07 57.91 3ifs s TYR 196 Cb 0.00 -2.93 -0.11 0.00 -0.40 0.00 0.00 41.96 38.52 3ifs s TYR 196 CO 0.00 -0.83 1.43 -2.00 -1.57 0.00 0.00 175.55 172.59 3ifs s GLU 197 N -4.04 4.23 0.13 -0.62 2.56 -1.23 -4.87 118.70 114.87 3ifs s GLU 197 Ca 0.62 2.39 0.06 0.00 0.00 0.00 0.00 54.97 58.04 3ifs s GLU 197 Cb -0.14 -3.04 -0.04 0.00 2.00 0.00 0.00 34.13 32.91 3ifs s GLU 197 CO 0.34 -0.41 -0.13 0.95 -0.56 0.00 0.00 175.26 175.45 3ifs s THR 198 N -0.69 1.34 0.11 -1.70 -4.23 -1.26 -1.14 115.64 108.07 3ifs s THR 198 Ca 0.55 -1.82 0.04 0.00 -1.18 0.00 0.00 61.69 59.28 3ifs s THR 198 Cb -0.43 -1.63 -0.04 0.00 1.34 0.00 0.00 72.50 71.74 3ifs s THR 198 CO 0.53 -0.49 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.66 3ifs s PHE 199 N -2.40 1.11 -0.10 3.99 0.08 0.33 -4.94 117.98 116.05 3ifs s PHE 199 Ca 0.11 -0.71 -0.02 0.00 0.12 0.00 0.00 56.93 56.43 3ifs s PHE 199 Cb -0.03 -0.60 -0.03 0.00 -0.57 0.00 0.00 43.02 41.79 3ifs s PHE 199 CO 0.03 0.01 -0.01 0.08 -0.10 0.00 0.00 175.22 175.23 3ifs s VAL 200 N -2.84 4.20 -0.33 -0.44 1.01 -1.26 -2.05 120.40 118.68 3ifs s VAL 200 Ca 0.10 -0.28 -0.11 0.00 0.00 0.00 0.00 61.98 61.68 3ifs s VAL 200 Cb -0.00 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 3ifs s VAL 200 CO -0.00 0.57 0.20 -0.63 0.00 0.00 0.00 175.10 175.25 3ifs s ILE 201 N -0.56 4.96 0.49 2.22 1.01 -0.55 -4.41 121.20 124.36 3ifs s ILE 201 Ca 0.09 -0.35 -0.23 0.00 0.00 0.00 0.00 60.65 60.16 3ifs s ILE 201 Cb -0.12 -3.56 -0.08 0.00 0.01 0.00 0.00 42.46 38.71 3ifs s ILE 201 CO 0.02 -0.00 1.17 -2.65 0.00 0.00 0.00 174.94 173.48 3ifs n PRO 202 N 5.05 1.53 -0.10 2.79 -0.02 -1.26 -4.40 135.00 138.59 3ifs n PRO 202 Ca -0.13 0.56 0.05 0.00 -2.02 0.00 0.00 63.50 61.96 3ifs n PRO 202 Cb 0.49 -2.32 0.38 0.00 -0.02 0.00 0.00 33.50 32.04 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 1.46 0.58 -0.41 2.55 3.32 -1.97 -2.57 116.42 119.38 3ifs h ASP 203 Ca -0.48 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3ifs h ASP 203 Cb 1.32 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3ifs h ASP 203 CO 0.57 0.40 0.00 -0.90 -1.72 0.00 0.00 179.24 177.59 3ifs n ASP 204 N -4.47 3.11 -4.11 6.45 5.68 -1.26 -4.75 116.55 117.20 3ifs n ASP 204 Ca 0.07 -2.26 -0.33 0.00 -0.50 0.00 0.00 54.79 51.77 3ifs n ASP 204 Cb 0.14 -0.45 -0.15 0.00 -1.14 0.00 0.00 41.12 39.52 3ifs n ASP 204 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3ifs s VAL 205 N -1.71 2.39 0.68 2.12 1.01 -0.97 -0.86 120.40 123.06 3ifs s VAL 205 Ca 0.32 -1.40 -0.14 0.00 0.00 0.00 0.00 61.98 60.77 3ifs s VAL 205 Cb 0.20 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 34.28 3ifs s VAL 205 CO 0.16 0.08 1.09 -0.83 0.00 0.00 0.00 175.10 175.60 3ifs s GLY 206 N 1.19 1.98 0.21 4.51 0.00 -1.26 -4.77 107.32 109.18 3ifs s GLY 206 Ca -0.05 0.41 -0.12 0.00 0.00 0.00 0.00 44.72 44.95 3ifs s GLY 206 CO -0.06 0.75 1.65 -1.33 0.00 0.00 0.00 173.10 174.11 3ifs h GLY 207 N -0.26 0.54 2.00 0.20 0.00 -1.96 -1.24 103.07 102.35 3ifs h GLY 207 Ca -0.46 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3ifs h GLY 207 CO 0.54 -0.22 0.00 -0.96 0.00 0.00 0.00 176.54 175.91 3ifs n ARG 208 N -5.35 0.18 -0.39 4.80 1.85 -1.26 -1.57 116.66 114.91 3ifs n ARG 208 Ca 0.08 0.48 0.08 0.00 -1.00 0.00 0.00 57.85 57.48 3ifs n ARG 208 Cb 0.33 -1.89 0.24 0.00 -1.05 0.00 0.00 32.46 30.09 3ifs n ARG 208 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3ifs n PHE 209 N -2.24 0.89 0.43 2.89 3.01 -0.50 -4.73 117.46 117.20 3ifs n PHE 209 Ca 0.01 -0.72 0.12 0.00 1.01 0.00 0.00 57.45 57.87 3ifs n PHE 209 Cb 0.18 -0.22 0.22 0.00 -0.01 0.00 0.00 39.48 39.65 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 0.02 3.30 -0.06 4.37 3.41 -0.61 -4.55 113.62 119.50 3ifs n SER 210 Ca 0.19 -1.97 0.14 0.00 -0.26 0.00 0.00 58.87 56.97 3ifs n SER 210 Cb 0.76 -0.22 0.56 0.00 -0.26 0.00 0.00 64.21 65.04 3ifs n SER 210 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3ifs h VAL 211 N 4.32 0.84 -0.08 -3.33 3.04 -1.84 -1.02 116.25 118.18 3ifs h VAL 211 Ca 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 3ifs h VAL 211 Cb 0.95 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 3ifs h VAL 211 CO 0.00 0.05 0.00 0.18 -1.01 0.00 0.00 177.57 176.79 3ifs n LEU 212 N -4.45 1.22 0.00 3.16 4.77 -1.26 -2.48 117.00 117.96 3ifs n LEU 212 Ca 0.10 -0.48 -0.18 0.00 -0.03 0.00 0.00 56.01 55.42 3ifs n LEU 212 Cb 0.44 -0.05 0.09 0.00 -2.33 0.00 0.00 43.42 41.57 3ifs n LEU 212 CO 0.35 0.24 0.43 0.35 -1.33 0.00 0.00 177.39 177.43 3ifs n THR 213 N -0.00 0.00 0.30 -5.08 -2.24 -0.39 -4.84 114.28 102.03 3ifs n THR 213 Ca 0.17 -1.18 0.19 0.00 -2.27 0.00 0.00 64.05 60.96 3ifs n THR 213 Cb 0.28 -1.03 0.98 0.00 -2.10 0.00 0.00 70.33 68.46 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 -0.62 -0.78 0.11 -1.82 -2.29 132.00 126.59 3ifs h PRO 214 Ca -0.25 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.98 3ifs h PRO 214 Cb 0.93 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.92 3ifs h PRO 214 CO 0.27 0.00 -0.15 0.28 -0.21 0.00 0.00 178.00 178.19 3ifs h VAL 215 N 0.00 0.38 0.06 3.15 2.07 -1.84 -2.38 116.25 117.69 3ifs h VAL 215 Ca 0.02 -0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.18 3ifs h VAL 215 Cb 0.37 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 3ifs h VAL 215 CO -0.00 0.00 -2.12 0.61 0.02 0.00 0.00 177.57 176.08 3ifs n GLY 216 N -1.42 -0.62 0.32 2.17 0.00 -0.92 -4.59 105.19 100.13 3ifs n GLY 216 Ca 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 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 0.91 0.32 0.99 3.38 -1.25 -1.95 115.31 117.74 3ifs h LEU 217 Ca -0.46 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 3ifs h LEU 217 Cb 2.02 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.56 3ifs h LEU 217 CO 0.03 0.63 -0.16 0.25 0.09 0.00 0.00 178.44 179.29 3ifs h LEU 218 N 1.07 -0.37 -1.15 1.67 5.85 -1.68 -1.43 115.31 119.27 3ifs h LEU 218 Ca 0.33 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.88 3ifs h LEU 218 Cb -0.01 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3ifs h LEU 218 CO -0.11 -0.09 -0.09 -0.65 -0.34 0.00 0.00 178.44 177.16 3ifs h PRO 219 N -0.65 0.49 -0.39 5.25 0.11 -1.81 -1.40 132.00 133.60 3ifs h PRO 219 Ca -0.04 -0.13 -0.00 0.00 0.11 0.00 0.00 66.00 65.94 3ifs h PRO 219 Cb 0.46 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 3ifs h PRO 219 CO 0.07 0.58 0.24 0.82 -0.21 0.00 0.00 178.00 179.51 3ifs h ILE 220 N 0.46 1.12 -0.49 4.15 2.04 -1.33 -2.14 117.51 121.32 3ifs h ILE 220 Ca 0.09 -0.27 -0.09 0.00 1.00 0.00 0.00 64.86 65.59 3ifs h ILE 220 Cb 0.44 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3ifs h ILE 220 CO 0.02 0.12 -0.07 0.00 0.00 0.00 0.00 178.15 178.23 3ifs h ALA 221 N 1.11 0.95 -0.56 1.87 0.00 -0.97 -2.74 119.26 118.92 3ifs h ALA 221 Ca 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3ifs h ALA 221 Cb -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3ifs h ALA 221 CO -0.03 0.62 0.31 0.28 0.00 0.00 0.00 179.25 180.43 3ifs h VAL 222 N 0.80 1.17 0.00 0.00 2.07 -1.00 -1.67 116.25 117.62 3ifs h VAL 222 Ca 0.14 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3ifs h VAL 222 Cb 0.57 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3ifs h VAL 222 CO 0.03 0.19 0.00 -1.54 0.02 0.00 0.00 177.57 176.27 3ifs n SER 223 N -4.40 0.00 0.00 0.57 3.41 -0.83 -4.34 113.62 108.03 3ifs n SER 223 Ca 0.05 -0.58 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 3ifs n SER 223 Cb 0.10 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 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 0.33 0.87 3.87 5.00 0.00 -0.63 -4.89 105.19 109.74 3ifs n GLY 224 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 3.90 -0.64 0.99 1.43 -1.12 -5.02 118.68 118.22 3ifs s LEU 225 Ca 0.00 1.13 -0.23 0.00 -1.03 0.00 0.00 54.13 54.00 3ifs s LEU 225 Cb 0.00 -3.99 0.06 0.00 0.03 0.00 0.00 46.19 42.29 3ifs s LEU 225 CO 0.00 -0.34 0.98 0.21 0.23 0.00 0.00 176.35 177.43 3ifs s ASN 226 N -2.96 6.21 0.51 2.29 3.84 -1.26 -4.36 114.94 119.22 3ifs s ASN 226 Ca 0.51 -0.79 0.30 0.00 0.21 0.00 0.00 52.86 53.09 3ifs s ASN 226 Cb -0.10 -2.43 1.02 0.00 -0.55 0.00 0.00 41.25 39.19 3ifs s ASN 226 CO 0.28 -1.41 1.86 0.16 -2.79 0.00 0.00 177.10 175.20 3ifs h ILE 227 N 5.99 0.01 -0.40 -5.21 3.07 -1.94 -3.06 117.51 115.97 3ifs h ILE 227 Ca -0.28 -0.68 -0.05 0.00 1.55 0.00 0.00 64.86 65.40 3ifs h ILE 227 Cb 1.07 1.68 -0.02 0.00 -0.27 0.00 0.00 36.82 39.28 3ifs h ILE 227 CO 1.16 0.00 0.08 -0.33 -1.05 0.00 0.00 178.15 178.01 3ifs h GLU 228 N 0.00 0.66 -5.34 0.16 5.08 -2.01 -3.43 114.58 109.70 3ifs h GLU 228 Ca -0.00 -0.17 -0.21 0.00 -1.00 0.00 0.00 59.36 57.98 3ifs h GLU 228 Cb 0.68 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 3ifs h GLU 228 CO 0.00 0.70 0.68 -1.21 -1.00 0.00 0.00 179.01 178.18 3ifs s GLU 229 N -5.22 2.00 0.00 2.33 0.41 -1.16 -4.72 118.70 112.34 3ifs s GLU 229 Ca -0.13 -0.86 0.00 0.00 -0.41 0.00 0.00 54.97 53.57 3ifs s GLU 229 Cb 0.10 -5.14 0.00 0.00 -1.78 0.00 0.00 34.13 27.31 3ifs s GLU 229 CO 0.78 -4.53 0.00 1.63 -0.49 0.00 0.00 175.26 172.64 3ifs n LYS 232 N 8.27 0.00 -0.15 1.61 5.02 -1.26 -3.78 118.16 127.86 3ifs n LYS 232 Ca 0.43 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.63 3ifs n LYS 232 Cb 0.47 -0.01 -0.01 0.00 -0.02 0.00 0.00 35.03 35.46 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 0.77 1.03 0.72 0.00 -1.85 -1.50 103.07 102.24 3ifs h GLY 233 Ca 0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 3ifs h GLY 233 CO 0.00 0.49 0.43 0.00 0.00 0.00 0.00 176.54 177.45 3ifs h ALA 234 N 0.93 1.09 -0.40 3.60 0.00 -1.77 -1.59 119.26 121.12 3ifs h ALA 234 Ca 0.13 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3ifs h ALA 234 Cb 0.40 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3ifs h ALA 234 CO 0.01 0.64 -0.07 0.00 0.00 0.00 0.00 179.25 179.83 3ifs h ALA 235 N 1.23 1.14 -0.32 0.00 0.00 -1.79 0.65 119.26 120.17 3ifs h ALA 235 Ca 0.29 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3ifs h ALA 235 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ifs h ALA 235 CO -0.04 0.55 -0.21 0.00 0.00 0.00 0.00 179.25 179.54 3ifs h ALA 236 N 1.30 1.03 -0.49 0.00 0.00 -0.77 -1.58 119.26 118.75 3ifs h ALA 236 Ca 0.12 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 3ifs h ALA 236 Cb 0.49 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3ifs h ALA 236 CO 0.03 0.58 -0.02 0.78 0.00 0.00 0.00 179.25 180.62 3ifs h GLY 237 N 0.99 0.94 0.31 0.00 0.00 -0.62 0.22 103.07 104.92 3ifs h GLY 237 Ca 0.08 -0.71 0.09 0.00 0.00 0.00 0.00 47.33 46.80 3ifs h GLY 237 CO 0.05 0.65 0.13 -0.09 0.00 0.00 0.00 176.54 177.28 3ifs h ARG 238 N 0.73 0.27 0.42 4.80 9.65 -0.46 0.81 114.38 130.60 3ifs h ARG 238 Ca 0.14 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.98 3ifs h ARG 238 Cb 0.54 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 3ifs h ARG 238 CO 0.03 0.18 -0.20 0.22 2.80 0.00 0.00 179.97 183.00 3ifs h ASP 239 N 0.28 -0.47 0.04 -3.80 3.58 -0.99 -2.59 116.42 112.46 3ifs h ASP 239 Ca 0.28 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 3ifs h ASP 239 Cb 0.38 0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.55 3ifs h ASP 239 CO -0.34 -0.12 -0.04 0.44 -2.88 0.00 0.00 179.24 176.29 3ifs h ASP 240 N -0.87 0.01 -0.42 2.28 3.32 -0.70 -2.10 116.42 117.93 3ifs h ASP 240 Ca -0.06 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.92 3ifs h ASP 240 Cb 0.56 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 3ifs h ASP 240 CO 0.09 0.05 0.05 0.49 -1.72 0.00 0.00 179.24 178.21 3ifs n PHE 241 N -4.48 1.46 0.15 4.55 3.72 0.26 -4.49 117.46 118.62 3ifs n PHE 241 Ca -0.03 -1.02 0.12 0.00 -0.05 0.00 0.00 57.45 56.47 3ifs n PHE 241 Cb 0.13 -0.45 0.24 0.00 -0.94 0.00 0.00 39.48 38.46 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 -0.35 1.91 3.87 1.37 0.00 -0.79 -4.95 105.19 106.25 3ifs n GLY 242 Ca 0.28 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 3ifs n GLY 242 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ifs s THR 243 N -1.37 5.06 -1.44 2.61 -1.32 -1.26 -5.00 115.64 112.92 3ifs s THR 243 Ca 0.41 0.44 0.27 0.00 -1.21 0.00 0.00 61.69 61.60 3ifs s THR 243 Cb 0.23 -3.65 0.26 0.00 -1.51 0.00 0.00 72.50 67.83 3ifs s THR 243 CO 0.32 0.20 1.66 -1.54 -2.21 0.00 0.00 174.62 173.06 3ifs n SER 244 N 0.65 0.59 -4.62 8.08 3.41 -1.26 -4.80 113.62 115.67 3ifs n SER 244 Ca -0.06 -0.46 -0.42 0.00 -0.26 0.00 0.00 58.87 57.67 3ifs n SER 244 Cb 0.52 0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.45 3ifs n SER 244 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3ifs s GLU 245 N -2.68 3.99 0.22 4.33 0.41 -1.26 -4.46 118.70 119.25 3ifs s GLU 245 Ca 0.21 0.68 -0.09 0.00 -0.41 0.00 0.00 54.97 55.36 3ifs s GLU 245 Cb 0.19 -3.72 0.33 0.00 -1.78 0.00 0.00 34.13 29.15 3ifs s GLU 245 CO 0.55 -0.69 1.70 1.25 -0.49 0.00 0.00 175.26 177.57 3ifs h LEU 246 N 9.51 -0.03 -0.00 1.80 5.85 -1.90 0.12 115.31 130.67 3ifs h LEU 246 Ca -0.24 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3ifs h LEU 246 Cb 1.09 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.30 3ifs h LEU 246 CO 0.90 -0.01 0.00 -1.84 -0.34 0.00 0.00 178.44 177.15 3ifs n GLU 247 N -5.15 0.00 0.00 1.25 0.00 -1.26 -1.76 120.64 113.72 3ifs n GLU 247 Ca 0.10 0.23 0.09 0.00 0.00 0.00 0.00 57.16 57.58 3ifs n GLU 247 Cb 0.35 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 30.36 3ifs n GLU 247 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3ifs n GLU 248 N -1.50 1.54 -3.89 3.44 4.71 -0.02 -4.86 120.64 120.05 3ifs n GLU 248 Ca 0.04 -1.48 -0.30 0.00 -0.01 0.00 0.00 57.16 55.41 3ifs n GLU 248 Cb 0.18 -1.34 -0.14 0.00 -1.01 0.00 0.00 31.44 29.12 3ifs n GLU 248 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 3ifs s ASN 249 N -1.58 4.32 0.31 1.62 3.84 -0.72 -4.88 114.94 117.84 3ifs s ASN 249 Ca 0.20 -2.31 0.03 0.00 0.21 0.00 0.00 52.86 51.00 3ifs s ASN 249 Cb 0.15 -1.36 0.63 0.00 -0.55 0.00 0.00 41.25 40.11 3ifs s ASN 249 CO 0.26 -0.34 1.86 -0.65 -2.79 0.00 0.00 177.10 175.44 3ifs h PRO 250 N 7.33 0.89 -0.50 0.43 0.11 -1.85 -1.40 132.00 137.01 3ifs h PRO 250 Ca -0.06 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.99 3ifs h PRO 250 Cb 0.98 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 3ifs h PRO 250 CO 0.54 0.59 0.29 0.00 -0.21 0.00 0.00 178.00 179.21 3ifs h ALA 251 N 1.55 0.64 -0.03 -0.75 0.00 -1.93 -1.34 119.26 117.40 3ifs h ALA 251 Ca 0.46 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.17 3ifs h ALA 251 Cb 0.49 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3ifs h ALA 251 CO -0.22 0.13 -0.59 1.88 0.00 0.00 0.00 179.25 180.45 3ifs h TYR 252 N 0.67 0.13 -0.41 0.00 0.05 -1.70 -2.22 116.97 113.48 3ifs h TYR 252 Ca 0.18 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.89 3ifs h TYR 252 Cb 0.01 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 3ifs h TYR 252 CO -0.03 0.67 0.20 1.96 -1.05 0.00 0.00 178.16 179.91 3ifs h GLN 253 N 0.08 0.60 -0.24 4.88 4.20 -0.97 -0.14 115.11 123.51 3ifs h GLN 253 Ca -0.01 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.63 3ifs h GLN 253 Cb 1.06 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 3ifs h GLN 253 CO 0.08 0.52 0.12 -0.92 -0.67 0.00 0.00 178.83 177.97 3ifs h TYR 254 N 0.53 0.23 -0.38 2.96 3.20 -1.05 -0.14 116.97 122.31 3ifs h TYR 254 Ca 0.14 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.07 3ifs h TYR 254 Cb 0.12 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 3ifs h TYR 254 CO -0.01 0.13 0.12 0.00 -1.64 0.00 0.00 178.16 176.76 3ifs h ALA 255 N 1.12 0.44 -0.42 1.82 0.00 -1.19 -1.09 119.26 119.94 3ifs h ALA 255 Ca 0.10 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3ifs h ALA 255 Cb 0.02 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3ifs h ALA 255 CO -0.06 -0.27 0.17 0.28 0.00 0.00 0.00 179.25 179.37 3ifs h VAL 256 N 0.27 1.20 -0.42 0.00 2.07 -0.76 -2.49 116.25 116.11 3ifs h VAL 256 Ca 0.17 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 3ifs h VAL 256 Cb 0.16 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3ifs h VAL 256 CO -0.19 0.22 0.26 0.58 0.02 0.00 0.00 177.57 178.46 3ifs h VAL 257 N 0.54 1.13 -0.39 2.57 2.07 -0.72 -0.96 116.25 120.49 3ifs h VAL 257 Ca 0.14 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.43 3ifs h VAL 257 Cb 0.18 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 3ifs h VAL 257 CO -0.01 0.13 0.10 0.03 0.02 0.00 0.00 177.57 177.84 3ifs h ARG 258 N 0.56 0.23 -0.47 1.57 3.08 -1.14 -0.54 114.38 117.67 3ifs h ARG 258 Ca 0.15 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3ifs h ARG 258 Cb -0.02 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3ifs h ARG 258 CO -0.03 0.15 0.27 -0.97 -1.07 0.00 0.00 179.97 178.33 3ifs h ASN 259 N 0.24 0.58 -0.25 7.04 -1.24 -1.16 0.34 115.58 121.13 3ifs h ASN 259 Ca 0.18 -0.07 -0.00 0.00 0.71 0.00 0.00 56.30 57.12 3ifs h ASN 259 Cb 0.20 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 3ifs h ASN 259 CO -0.22 0.48 0.14 0.00 -1.29 0.00 0.00 177.43 176.55 3ifs h ALA 260 N 1.12 0.31 -0.78 1.57 0.00 -0.75 -1.47 119.26 119.27 3ifs h ALA 260 Ca 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3ifs h ALA 260 Cb 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3ifs h ALA 260 CO -0.03 -0.17 0.39 -0.07 0.00 0.00 0.00 179.25 179.37 3ifs h LEU 261 N 0.30 0.99 -0.89 0.00 3.38 -0.83 -1.98 115.31 116.28 3ifs h LEU 261 Ca 0.09 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3ifs h LEU 261 Cb 0.04 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 3ifs h LEU 261 CO -0.02 0.83 0.59 0.22 0.09 0.00 0.00 178.44 180.15 3ifs h TYR 262 N 1.10 1.12 0.00 1.13 3.20 -0.57 -1.32 116.97 121.62 3ifs h TYR 262 Ca 0.27 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 3ifs h TYR 262 Cb 0.09 -0.38 -0.00 0.00 1.54 0.00 0.00 36.73 37.98 3ifs h TYR 262 CO 0.01 0.69 -0.03 -0.91 -1.64 0.00 0.00 178.16 176.28 3ifs h ASN 263 N 1.20 0.00 0.37 -2.11 2.35 -0.53 -1.85 115.58 115.00 3ifs h ASN 263 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 3ifs h ASN 263 Cb -0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.26 3ifs h ASN 263 CO -0.08 0.03 -0.20 0.29 -1.65 0.00 0.00 177.43 175.82 3ifs n LYS 264 N -3.18 0.63 0.00 0.81 5.02 -0.74 -4.92 118.16 115.78 3ifs n LYS 264 Ca -0.01 -0.29 0.00 0.00 -2.02 0.00 0.00 58.31 55.99 3ifs n LYS 264 Cb 0.24 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 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 1.34 1.07 3.42 0.72 0.00 -0.69 -5.04 105.19 106.01 3ifs n GLY 265 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 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 3.29 0.00 1.61 -0.14 -0.57 -4.58 119.74 118.70 3ifs s LYS 266 Ca 0.00 -1.37 0.23 0.00 -1.36 0.00 0.00 55.97 53.47 3ifs s LYS 266 Cb 0.00 -4.49 0.21 0.00 -1.68 0.00 0.00 37.83 31.87 3ifs s LYS 266 CO 0.00 -1.70 1.25 0.25 -0.76 0.00 0.00 175.35 174.39 3ifs n THR 267 N 5.57 0.06 -4.61 2.17 -2.24 -0.09 -3.75 114.28 111.38 3ifs n THR 267 Ca 0.05 -0.53 -0.28 0.00 -2.27 0.00 0.00 64.05 61.02 3ifs n THR 267 Cb 0.46 1.42 -0.17 0.00 -2.10 0.00 0.00 70.33 69.95 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 -1.87 1.51 0.00 2.28 1.01 -0.58 -0.68 121.20 122.86 3ifs s ILE 268 Ca 0.28 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.26 3ifs s ILE 268 Cb 0.20 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 41.30 3ifs s ILE 268 CO 0.29 0.44 0.00 1.21 0.00 0.00 0.00 174.94 176.88 3ifs n GLU 269 N 4.00 2.06 -3.66 2.79 2.13 -0.29 -1.40 120.64 126.27 3ifs n GLU 269 Ca -0.20 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.56 3ifs n GLU 269 Cb 0.52 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.15 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 -0.83 -0.01 4.31 2.96 -0.35 -0.15 118.68 124.61 3ifs s LEU 271 Ca 0.00 1.23 0.03 0.00 -0.22 0.00 0.00 54.13 55.17 3ifs s LEU 271 Cb 0.00 1.75 -0.03 0.00 0.50 0.00 0.00 46.19 48.40 3ifs s LEU 271 CO 0.00 -0.23 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.11 3ifs s ILE 272 N 2.66 3.71 0.11 6.68 -1.09 0.58 -1.88 121.20 131.97 3ifs s ILE 272 Ca -0.04 -0.71 0.03 0.00 -2.23 0.00 0.00 60.65 57.70 3ifs s ILE 272 Cb -0.12 -2.60 -0.04 0.00 -1.58 0.00 0.00 42.46 38.12 3ifs s ILE 272 CO -0.15 0.42 -0.09 0.54 -1.23 0.00 0.00 174.94 174.43 3ifs s ASN 273 N -1.34 1.42 -0.10 3.58 2.20 -1.00 -0.25 114.94 119.44 3ifs s ASN 273 Ca 0.17 -0.92 0.14 0.00 -0.94 0.00 0.00 52.86 51.31 3ifs s ASN 273 Cb -0.11 0.03 0.30 0.00 -2.00 0.00 0.00 41.25 39.47 3ifs s ASN 273 CO 0.07 -0.34 1.21 -1.22 -2.94 0.00 0.00 177.10 173.87 3ifs n TYR 274 N 0.20 0.31 -3.73 1.54 4.02 -1.26 0.07 117.16 118.31 3ifs n TYR 274 Ca -0.13 -0.81 -0.23 0.00 -0.01 0.00 0.00 57.90 56.71 3ifs n TYR 274 Cb 0.59 -0.16 -0.17 0.00 -0.02 0.00 0.00 39.34 39.58 3ifs n TYR 274 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3ifs s GLU 275 N -2.30 0.44 0.61 -0.72 0.41 -1.26 -4.79 118.70 111.09 3ifs s GLU 275 Ca 0.28 0.07 0.33 0.00 -0.41 0.00 0.00 54.97 55.24 3ifs s GLU 275 Cb 0.23 -1.11 1.95 0.00 -1.78 0.00 0.00 34.13 33.42 3ifs s GLU 275 CO 0.05 -0.38 2.27 -1.00 -0.49 0.00 0.00 175.26 175.71 3ifs h PRO 276 N 8.34 0.00 -0.00 0.39 0.13 -1.92 -1.02 132.00 137.92 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 32.25 3ifs h PRO 276 CO 0.25 0.01 0.02 0.00 -0.23 0.00 0.00 178.00 178.05 3ifs h ALA 277 N 1.99 1.09 -0.04 -0.56 0.00 -1.96 -1.90 119.26 117.88 3ifs h ALA 277 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ifs h ALA 277 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3ifs h ALA 277 CO 0.00 -0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.51 3ifs n LEU 278 N -3.16 0.92 -0.24 0.00 4.77 -0.39 -4.38 117.00 114.51 3ifs n LEU 278 Ca -0.03 -0.33 -0.07 0.00 -0.03 0.00 0.00 56.01 55.55 3ifs n LEU 278 Cb 0.09 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.21 3ifs n LEU 278 CO 0.21 0.17 1.03 0.06 -1.33 0.00 0.00 177.39 177.52 3ifs h GLN 279 N 1.36 0.98 0.00 3.23 3.07 -1.53 -2.31 115.11 119.92 3ifs h GLN 279 Ca 0.00 -0.16 -0.05 0.00 0.09 0.00 0.00 58.65 58.53 3ifs h GLN 279 Cb 0.29 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 27.68 3ifs h GLN 279 CO 0.00 0.80 -0.24 1.88 0.09 0.00 0.00 178.83 181.36 3ifs h TYR 280 N 0.94 0.00 -0.54 0.06 0.05 -1.84 -2.18 116.97 113.46 3ifs h TYR 280 Ca 0.23 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.93 3ifs h TYR 280 Cb 0.16 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 3ifs h TYR 280 CO 0.01 0.24 0.03 0.35 -1.05 0.00 0.00 178.16 177.74 3ifs h PHE 281 N 0.00 0.95 -0.47 4.88 3.57 -1.68 -1.69 116.94 122.51 3ifs h PHE 281 Ca -0.00 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.33 3ifs h PHE 281 Cb 0.61 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3ifs h PHE 281 CO 0.00 0.85 0.15 0.00 -2.23 0.00 0.00 178.31 177.08 3ifs h ALA 282 N 1.19 1.39 -0.54 2.41 0.00 -0.97 -0.61 119.26 122.12 3ifs h ALA 282 Ca 0.16 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3ifs h ALA 282 Cb 0.46 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3ifs h ALA 282 CO 0.02 0.45 0.02 0.93 0.00 0.00 0.00 179.25 180.67 3ifs h GLU 283 N 0.67 0.95 -0.83 0.00 4.39 -1.02 -0.65 114.58 118.09 3ifs h GLU 283 Ca 0.16 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 3ifs h GLU 283 Cb 0.20 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 3ifs h GLU 283 CO -0.01 0.95 0.45 2.35 -1.16 0.00 0.00 179.01 181.59 3ifs h TRP 284 N 0.83 1.15 -0.63 4.33 7.01 -0.95 -2.30 115.95 125.38 3ifs h TRP 284 Ca 0.16 -0.03 -0.08 0.00 2.11 0.00 0.00 58.89 61.04 3ifs h TRP 284 Cb 0.51 -0.37 -0.02 0.00 -2.10 0.00 0.00 29.16 27.18 3ifs h TRP 284 CO 0.04 0.80 0.07 2.35 -2.79 0.00 0.00 178.44 178.92 3ifs h TRP 285 N 1.16 1.14 -0.83 2.65 7.01 -0.82 -1.35 115.95 124.92 3ifs h TRP 285 Ca 0.29 -0.17 -0.03 0.00 2.11 0.00 0.00 58.89 61.09 3ifs h TRP 285 Cb 0.04 -0.31 -0.04 0.00 -2.10 0.00 0.00 29.16 26.75 3ifs h TRP 285 CO 0.01 0.98 0.41 0.87 -2.79 0.00 0.00 178.44 177.91 3ifs h LYS 286 N 0.98 1.20 -0.20 2.65 1.57 -0.80 -1.38 116.57 120.58 3ifs h LYS 286 Ca 0.19 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3ifs h LYS 286 Cb 0.47 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3ifs h LYS 286 CO 0.02 0.91 0.03 0.37 -0.57 0.00 0.00 179.45 180.21 3ifs h GLN 287 N 1.18 0.34 0.17 3.15 4.15 -1.20 0.16 115.11 123.06 3ifs h GLN 287 Ca 0.29 -0.09 0.01 0.00 0.77 0.00 0.00 58.65 59.63 3ifs h GLN 287 Cb 0.10 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 3ifs h GLN 287 CO -0.04 0.49 -0.26 1.25 -1.93 0.00 0.00 178.83 178.34 3ifs h LEU 288 N 0.13 -0.73 0.12 -2.39 5.85 -0.84 -1.11 115.31 116.34 3ifs h LEU 288 Ca 0.06 0.08 -0.29 0.00 0.84 0.00 0.00 57.88 58.57 3ifs h LEU 288 Cb 0.32 0.27 0.02 0.00 0.37 0.00 0.00 40.66 41.64 3ifs h LEU 288 CO 0.00 -0.36 -1.28 -0.26 -0.34 0.00 0.00 178.44 176.21 3ifs h PHE 289 N -0.50 0.75 -0.18 1.25 0.04 -1.32 -2.79 116.94 114.19 3ifs h PHE 289 Ca 0.02 -0.51 -0.02 0.00 2.80 0.00 0.00 57.97 60.26 3ifs h PHE 289 Cb 0.50 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 3ifs h PHE 289 CO -0.21 1.38 0.05 0.78 -0.60 0.00 0.00 178.31 179.71 3ifs h GLY 290 N 0.91 0.30 1.56 -1.45 0.00 -0.69 -1.67 103.07 102.03 3ifs h GLY 290 Ca -0.17 -0.18 -0.19 0.00 0.00 0.00 0.00 47.33 46.78 3ifs h GLY 290 CO 0.23 0.17 -0.77 0.83 0.00 0.00 0.00 176.54 177.00 3ifs h GLU 291 N 0.10 0.43 -0.19 4.80 5.08 -1.33 -1.17 114.58 122.30 3ifs h GLU 291 Ca 0.06 -0.37 -0.18 0.00 -1.00 0.00 0.00 59.36 57.87 3ifs h GLU 291 Cb 0.25 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3ifs h GLU 291 CO -0.00 1.01 -0.62 0.77 -1.00 0.00 0.00 179.01 179.17 3ifs h SER 292 N 0.28 0.75 0.00 1.42 0.02 -1.50 -3.38 113.55 111.15 3ifs h SER 292 Ca -0.04 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3ifs h SER 292 Cb 1.36 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.68 3ifs h SER 292 CO 0.13 1.19 -1.06 -0.62 -1.14 0.00 0.00 176.83 175.33 3ifs n GLU 293 N -3.95 1.65 -1.58 3.45 1.02 -0.63 -4.25 120.64 116.35 3ifs n GLU 293 Ca -0.04 -0.05 -0.41 0.00 -0.02 0.00 0.00 57.16 56.63 3ifs n GLU 293 Cb 0.65 -1.22 -0.01 0.00 -0.02 0.00 0.00 31.44 30.84 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 1.49 4.23 3.39 0.62 0.00 -0.44 -4.04 105.19 110.44 3ifs n GLY 294 Ca 0.00 -1.53 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 3ifs n GLY 294 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ifs s LYS 295 N 3.12 1.21 -1.49 1.61 -2.85 -1.20 -4.89 119.74 115.25 3ifs s LYS 295 Ca 0.52 -1.05 -0.01 0.00 -1.00 0.00 0.00 55.97 54.44 3ifs s LYS 295 Cb 0.15 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 36.35 3ifs s LYS 295 CO -0.07 -0.47 0.08 -0.25 0.10 0.00 0.00 175.35 174.74 3ifs n ASP 296 N -0.25 -5.16 -1.49 0.03 8.00 -1.26 -1.37 116.55 115.04 3ifs n ASP 296 Ca -0.09 0.01 -0.14 0.00 0.71 0.00 0.00 54.79 55.29 3ifs n ASP 296 Cb 0.63 -4.30 -0.01 0.00 -0.02 0.00 0.00 41.12 37.41 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 -3.07 -1.08 -4.45 -1.24 1.13 -1.26 -5.01 117.38 102.40 3ifs n GLN 297 Ca -0.19 0.71 -0.23 0.00 -1.94 0.00 0.00 57.00 55.35 3ifs n GLN 297 Cb 0.65 -4.95 -0.09 0.00 0.11 0.00 0.00 30.24 25.96 3ifs n GLN 297 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3ifs s LYS 298 N -4.47 1.78 0.00 -1.09 1.02 -0.47 -5.15 119.74 111.35 3ifs s LYS 298 Ca 0.00 -2.05 0.00 0.00 0.02 0.00 0.00 55.97 53.94 3ifs s LYS 298 Cb 0.00 -0.50 0.00 0.00 -0.52 0.00 0.00 37.83 36.81 3ifs s LYS 298 CO 0.00 -0.42 0.00 0.41 -0.92 0.00 0.00 175.35 174.42 3ifs n GLY 299 N -0.77 3.18 3.74 -3.33 0.00 -1.26 -3.27 105.19 103.48 3ifs n GLY 299 Ca -0.03 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.05 2.98 -0.19 -0.61 1.01 -1.26 -4.97 121.20 117.11 3ifs s ILE 300 Ca 0.00 0.80 -0.29 0.00 0.00 0.00 0.00 60.65 61.16 3ifs s ILE 300 Cb 0.00 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.96 3ifs s ILE 300 CO 0.00 0.11 1.05 0.12 0.00 0.00 0.00 174.94 176.22 3ifs s PHE 301 N 0.23 3.36 -0.32 3.97 5.36 0.14 -4.85 117.98 125.88 3ifs s PHE 301 Ca 0.59 1.47 -0.24 0.00 -0.96 0.00 0.00 56.93 57.80 3ifs s PHE 301 Cb -0.39 -3.26 0.00 0.00 -0.34 0.00 0.00 43.02 39.03 3ifs s PHE 301 CO 0.39 -0.49 0.82 -1.25 -1.46 0.00 0.00 175.22 173.23 3ifs s PRO 302 N 2.91 3.93 0.42 10.12 0.04 -1.26 -1.14 135.00 150.02 3ifs s PRO 302 Ca 0.46 0.59 0.04 0.00 0.04 0.00 0.00 61.00 62.13 3ifs s PRO 302 Cb -0.16 -3.74 -0.05 0.00 0.04 0.00 0.00 34.50 30.58 3ifs s PRO 302 CO 0.10 -0.74 0.03 0.45 0.04 0.00 0.00 177.00 176.88 3ifs s SER 303 N 1.67 3.49 0.16 6.66 0.15 0.78 -4.95 113.70 121.66 3ifs s SER 303 Ca 0.34 -1.49 -0.15 0.00 0.70 0.00 0.00 55.95 55.35 3ifs s SER 303 Cb -0.14 0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.22 3ifs s SER 303 CO 0.14 -0.65 0.41 -0.94 1.20 0.00 0.00 173.24 173.39 3ifs s SER 304 N -3.70 -0.16 -0.07 5.45 1.04 -1.26 -1.21 113.70 113.80 3ifs s SER 304 Ca 0.26 -0.52 -0.25 0.00 0.48 0.00 0.00 55.95 55.92 3ifs s SER 304 Cb 0.07 0.50 0.05 0.00 0.10 0.00 0.00 66.02 66.74 3ifs s SER 304 CO 0.13 -0.93 0.56 0.00 0.98 0.00 0.00 173.24 173.98 3ifs s ALA 305 N -3.87 -1.43 -0.33 5.32 0.00 -0.79 -4.87 121.76 115.79 3ifs s ALA 305 Ca 0.09 1.08 -0.06 0.00 0.00 0.00 0.00 51.96 53.06 3ifs s ALA 305 Cb 0.01 -0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.04 3ifs s ALA 305 CO -0.06 -0.32 0.09 -0.80 0.00 0.00 0.00 175.76 174.67 3ifs s ASN 306 N -1.00 5.26 0.24 0.00 0.01 -1.26 -2.36 114.94 115.83 3ifs s ASN 306 Ca -0.10 -1.10 0.05 0.00 -0.71 0.00 0.00 52.86 51.00 3ifs s ASN 306 Cb -0.02 -1.86 -0.03 0.00 0.41 0.00 0.00 41.25 39.75 3ifs s ASN 306 CO 0.07 -0.31 0.36 -0.36 -1.51 0.00 0.00 177.10 175.35 3ifs s PHE 307 N 1.40 3.45 -1.99 2.20 0.08 0.11 -0.20 117.98 123.05 3ifs s PHE 307 Ca -0.01 -0.00 0.32 0.00 0.12 0.00 0.00 56.93 57.35 3ifs s PHE 307 Cb -0.19 -1.58 1.85 0.00 -0.57 0.00 0.00 43.02 42.53 3ifs s PHE 307 CO 0.03 0.43 2.20 -1.13 -0.10 0.00 0.00 175.22 176.65 3ifs n SER 308 N -1.39 0.06 -0.14 1.36 3.41 -1.26 -4.12 113.62 111.54 3ifs n SER 308 Ca -0.09 -0.97 -0.10 0.00 -0.26 0.00 0.00 58.87 57.45 3ifs n SER 308 Cb 0.57 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.45 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 0.09 0.10 0.00 6.66 2.02 -1.90 -0.63 112.91 119.24 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 0.04 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 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 -5.41 0.00 0.21 4.18 8.00 0.73 -1.95 116.55 122.31 3ifs n ASP 310 Ca -0.01 -0.61 0.15 0.00 0.71 0.00 0.00 54.79 55.03 3ifs n ASP 310 Cb 0.35 -0.04 0.53 0.00 -0.02 0.00 0.00 41.12 41.95 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 -2.43 0.64 3.38 -1.35 0.21 115.31 115.76 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 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 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 -2.73 0.77 0.04 1.13 8.25 -0.82 -2.99 115.22 118.86 3ifs n HIS 312 Ca 0.02 -0.38 0.00 0.00 -0.26 0.00 0.00 57.72 57.10 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 1.48 0.25 -0.43 0.41 3.41 -1.03 -4.90 113.62 112.82 3ifs n SER 313 Ca 0.22 0.14 0.09 0.00 -0.26 0.00 0.00 58.87 59.06 3ifs n SER 313 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 3ifs n SER 313 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ifs n LEU 314 N -3.12 1.79 -0.25 1.04 4.77 0.66 -4.64 117.00 117.26 3ifs n LEU 314 Ca 0.00 -0.78 0.01 0.00 -0.03 0.00 0.00 56.01 55.21 3ifs n LEU 314 Cb 0.15 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.37 3ifs n LEU 314 CO 0.00 0.34 1.08 1.23 -1.33 0.00 0.00 177.39 178.71 3ifs h GLY 315 N 3.77 1.08 0.82 -0.72 0.00 -1.23 -0.10 103.07 106.70 3ifs h GLY 315 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.11 3ifs h GLY 315 CO 0.00 0.08 0.01 -1.61 0.00 0.00 0.00 176.54 175.02 3ifs h GLN 316 N 0.64 0.05 -0.34 4.80 5.75 -1.82 -1.84 115.11 122.35 3ifs h GLN 316 Ca 0.35 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.83 3ifs h GLN 316 Cb 0.34 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 3ifs h GLN 316 CO -0.25 0.03 0.14 -0.92 -2.65 0.00 0.00 178.83 175.18 3ifs h TYR 317 N 0.05 0.50 -0.59 3.99 3.20 -1.71 0.68 116.97 123.09 3ifs h TYR 317 Ca 0.06 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3ifs h TYR 317 Cb 0.07 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 3ifs h TYR 317 CO -0.14 0.46 0.33 0.28 -1.64 0.00 0.00 178.16 177.45 3ifs h VAL 318 N 0.40 1.18 0.06 1.81 2.07 -0.93 0.21 116.25 121.04 3ifs h VAL 318 Ca 0.11 -0.45 -0.28 0.00 0.82 0.00 0.00 66.70 66.91 3ifs h VAL 318 Cb 0.17 0.38 0.02 0.00 -1.52 0.00 0.00 31.29 30.33 3ifs h VAL 318 CO -0.01 0.20 -1.13 -0.61 0.02 0.00 0.00 177.57 176.04 3ifs h GLN 319 N 0.82 0.60 0.00 1.57 5.75 -0.96 -3.42 115.11 119.48 3ifs h GLN 319 Ca 0.21 -0.73 0.00 0.00 -0.15 0.00 0.00 58.65 57.98 3ifs h GLN 319 Cb 0.02 0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.79 3ifs h GLN 319 CO -0.04 1.31 0.00 0.39 -2.65 0.00 0.00 178.83 177.85 3ifs n GLU 320 N -3.79 0.73 0.00 1.69 1.02 0.20 -4.75 120.64 115.73 3ifs n GLU 320 Ca -0.11 -0.73 0.00 0.00 -0.02 0.00 0.00 57.16 56.30 3ifs n GLU 320 Cb 0.93 -0.63 0.00 0.00 -0.02 0.00 0.00 31.44 31.72 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 -0.12 0.30 3.77 0.62 0.00 0.71 -4.98 105.19 105.49 3ifs n GLY 321 Ca 0.00 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 3ifs n GLY 321 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ifs s ARG 322 N 0.83 4.17 -1.23 1.61 1.81 -1.26 -4.91 118.95 119.97 3ifs s ARG 322 Ca 0.00 2.49 -0.05 0.00 -1.72 0.00 0.00 55.73 56.45 3ifs s ARG 322 Cb 0.00 -3.00 0.11 0.00 -0.45 0.00 0.00 34.95 31.61 3ifs s ARG 322 CO 0.00 -0.46 2.45 0.54 -0.68 0.00 0.00 175.30 177.15 3ifs n ARG 323 N 0.68 4.34 -0.09 3.54 5.12 -1.26 -4.39 116.66 124.60 3ifs n ARG 323 Ca 0.01 -3.30 0.04 0.00 -1.93 0.00 0.00 57.85 52.67 3ifs n ARG 323 Cb 0.40 -2.58 0.09 0.00 -1.16 0.00 0.00 32.46 29.20 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 1.68 2.43 -4.64 0.55 8.00 -1.26 -4.83 116.55 118.48 3ifs n ASP 324 Ca 0.62 -2.37 -0.29 0.00 0.71 0.00 0.00 54.79 53.46 3ifs n ASP 324 Cb 0.28 -0.20 -0.08 0.00 -0.02 0.00 0.00 41.12 41.10 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 -1.64 3.27 0.06 0.64 1.43 -1.26 -0.91 118.68 120.26 3ifs s LEU 325 Ca 0.16 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 3ifs s LEU 325 Cb 0.12 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 3ifs s LEU 325 CO 0.04 0.14 -0.06 0.72 0.23 0.00 0.00 176.35 177.43 3ifs s PHE 326 N -1.44 0.65 -0.04 0.29 -0.12 -0.49 -4.26 117.98 112.57 3ifs s PHE 326 Ca 0.25 -0.69 0.06 0.00 -0.05 0.00 0.00 56.93 56.49 3ifs s PHE 326 Cb -0.11 -0.40 -0.02 0.00 -0.63 0.00 0.00 43.02 41.86 3ifs s PHE 326 CO 0.17 -0.16 -0.20 -1.21 -0.05 0.00 0.00 175.22 173.77 3ifs s GLU 327 N -2.49 2.32 -0.22 1.99 2.02 -0.11 -4.31 118.70 117.90 3ifs s GLU 327 Ca -0.03 -0.81 0.02 0.00 0.02 0.00 0.00 54.97 54.17 3ifs s GLU 327 Cb -0.03 -2.21 0.04 0.00 0.10 0.00 0.00 34.13 32.03 3ifs s GLU 327 CO -0.03 0.59 -0.15 0.99 0.02 0.00 0.00 175.26 176.69 3ifs s THR 328 N -0.66 2.09 -0.25 3.63 2.01 -1.26 -0.06 115.64 121.15 3ifs s THR 328 Ca 0.10 -1.32 -0.09 0.00 0.31 0.00 0.00 61.69 60.69 3ifs s THR 328 Cb -0.10 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 3ifs s THR 328 CO -0.00 0.21 0.13 -0.69 -0.69 0.00 0.00 174.62 173.58 3ifs s VAL 329 N 1.20 4.96 -0.58 3.82 1.01 0.89 -0.30 120.40 131.39 3ifs s VAL 329 Ca -0.03 0.05 -0.26 0.00 0.00 0.00 0.00 61.98 61.74 3ifs s VAL 329 Cb -0.17 -3.32 0.04 0.00 0.00 0.00 0.00 36.38 32.92 3ifs s VAL 329 CO -0.08 0.32 1.07 -0.76 0.00 0.00 0.00 175.10 175.65 3ifs s LEU 330 N 1.38 3.78 -0.25 3.92 1.43 0.65 -0.49 118.68 129.10 3ifs s LEU 330 Ca 0.06 -0.18 -0.07 0.00 -1.03 0.00 0.00 54.13 52.92 3ifs s LEU 330 Cb -0.15 -2.95 -0.02 0.00 0.03 0.00 0.00 46.19 43.11 3ifs s LEU 330 CO 0.06 -1.38 0.05 -0.75 0.23 0.00 0.00 176.35 174.57 3ifs s LYS 331 N 4.48 3.53 -0.17 1.70 2.47 -0.38 -4.15 119.74 127.23 3ifs s LYS 331 Ca 0.36 -0.55 -0.18 0.00 -1.56 0.00 0.00 55.97 54.03 3ifs s LYS 331 Cb -0.10 -3.28 -0.04 0.00 -1.46 0.00 0.00 37.83 32.96 3ifs s LYS 331 CO 0.21 -0.22 0.51 0.08 0.16 0.00 0.00 175.35 176.09 3ifs s VAL 332 N 1.58 5.14 0.11 4.02 1.01 -1.26 -0.17 120.40 130.83 3ifs s VAL 332 Ca 0.06 0.96 -0.11 0.00 0.00 0.00 0.00 61.98 62.89 3ifs s VAL 332 Cb -0.15 -3.84 -0.17 0.00 0.00 0.00 0.00 36.38 32.22 3ifs s VAL 332 CO 0.02 0.23 1.30 1.23 0.00 0.00 0.00 175.10 177.88 3ifs h GLY 333 N 7.47 0.77 -6.33 4.51 0.00 -0.58 -3.44 103.07 105.47 3ifs h GLY 333 Ca -0.36 -1.17 -0.58 0.00 0.00 0.00 0.00 47.33 45.22 3ifs h GLY 333 CO 0.75 1.04 -0.83 1.25 0.00 0.00 0.00 176.54 178.74 3ifs s LYS 334 N -3.60 2.11 0.40 4.80 2.47 -0.58 -5.02 119.74 120.32 3ifs s LYS 334 Ca -0.09 -0.49 -0.25 0.00 -1.56 0.00 0.00 55.97 53.57 3ifs s LYS 334 Cb 0.08 -1.94 -0.08 0.00 -1.46 0.00 0.00 37.83 34.43 3ifs s LYS 334 CO 0.90 -0.20 1.19 0.45 0.16 0.00 0.00 175.35 177.84 3ifs s SER 335 N 1.42 6.48 0.17 1.43 0.15 -1.26 -4.51 113.70 117.57 3ifs s SER 335 Ca 0.02 2.39 -0.14 0.00 0.70 0.00 0.00 55.95 58.93 3ifs s SER 335 Cb -0.13 -2.62 0.06 0.00 -1.71 0.00 0.00 66.02 61.62 3ifs s SER 335 CO -0.08 -0.71 1.78 0.74 1.20 0.00 0.00 173.24 176.17 3ifs h THR 336 N 2.33 1.18 -4.10 6.45 2.02 -1.99 -3.43 112.91 115.37 3ifs h THR 336 Ca -0.49 -0.47 -0.61 0.00 0.77 0.00 0.00 66.41 65.62 3ifs h THR 336 Cb 1.24 0.51 -0.24 0.00 -1.74 0.00 0.00 68.15 67.91 3ifs h THR 336 CO 0.62 0.20 -0.85 -1.00 0.37 0.00 0.00 175.52 174.86 3ifs s HIS 337 N -5.85 1.96 0.02 3.16 3.76 -1.26 -5.14 115.29 111.95 3ifs s HIS 337 Ca -0.13 -0.39 0.06 0.00 -0.15 0.00 0.00 55.06 54.45 3ifs s HIS 337 Cb 0.12 -1.13 -0.03 0.00 1.11 0.00 0.00 32.58 32.65 3ifs s HIS 337 CO 0.76 0.16 -0.16 -1.21 -0.85 0.00 0.00 174.74 173.44 3ifs s GLU 338 N -1.48 2.19 -0.05 1.40 0.41 -1.26 -4.95 118.70 114.96 3ifs s GLU 338 Ca 0.09 -0.91 0.01 0.00 -0.41 0.00 0.00 54.97 53.75 3ifs s GLU 338 Cb -0.09 -2.25 0.02 0.00 -1.78 0.00 0.00 34.13 30.03 3ifs s GLU 338 CO 0.03 0.56 -0.06 -0.51 -0.49 0.00 0.00 175.26 174.79 3ifs s LEU 339 N -1.32 1.33 -0.19 1.80 1.43 -1.26 -5.05 118.68 115.41 3ifs s LEU 339 Ca 0.14 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 52.96 3ifs s LEU 339 Cb -0.11 -0.54 -0.05 0.00 0.03 0.00 0.00 46.19 45.52 3ifs s LEU 339 CO 0.05 -0.05 0.20 -0.89 0.23 0.00 0.00 176.35 175.89 3ifs s THR 340 N 0.99 5.36 0.13 5.49 2.01 -1.26 -0.86 115.64 127.49 3ifs s THR 340 Ca -0.10 0.33 -0.30 0.00 0.31 0.00 0.00 61.69 61.93 3ifs s THR 340 Cb -0.14 -3.54 -0.07 0.00 0.01 0.00 0.00 72.50 68.75 3ifs s THR 340 CO -0.00 0.40 1.25 -0.63 -0.69 0.00 0.00 174.62 174.95 3ifs s ILE 341 N 0.53 3.65 0.18 1.82 1.01 0.11 -4.93 121.20 123.57 3ifs s ILE 341 Ca 0.11 1.26 0.05 0.00 0.00 0.00 0.00 60.65 62.08 3ifs s ILE 341 Cb -0.12 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 3ifs s ILE 341 CO 0.01 0.14 0.14 -1.61 0.00 0.00 0.00 174.94 173.62 3ifs s GLU 342 N 0.54 2.89 0.45 2.79 2.02 -1.26 -1.08 118.70 125.05 3ifs s GLU 342 Ca 0.58 -0.90 -0.08 0.00 0.02 0.00 0.00 54.97 54.59 3ifs s GLU 342 Cb -0.33 -2.63 -0.05 0.00 0.10 0.00 0.00 34.13 31.23 3ifs s GLU 342 CO 0.33 0.47 0.79 -1.54 0.02 0.00 0.00 175.26 175.33 3ifs s SER 343 N -3.20 6.38 0.12 -0.19 1.04 -1.26 -4.76 113.70 111.83 3ifs s SER 343 Ca 0.31 1.04 0.08 0.00 0.48 0.00 0.00 55.95 57.87 3ifs s SER 343 Cb -0.10 -2.29 -0.04 0.00 0.10 0.00 0.00 66.02 63.69 3ifs s SER 343 CO 0.23 -0.51 -0.20 -1.83 0.98 0.00 0.00 173.24 171.92 3ifs s GLU 344 N -4.33 1.14 0.49 4.02 -1.05 -1.26 -5.04 118.70 112.67 3ifs s GLU 344 Ca 0.49 -1.22 0.22 0.00 -0.15 0.00 0.00 54.97 54.31 3ifs s GLU 344 Cb -0.10 -1.32 1.26 0.00 -0.44 0.00 0.00 34.13 33.52 3ifs s GLU 344 CO 0.39 0.29 2.03 0.93 0.95 0.00 0.00 175.26 179.86 3ifs h GLU 345 N 3.84 0.00 -4.31 -4.83 5.08 -2.06 -3.35 114.58 108.95 3ifs h GLU 345 Ca -0.45 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.24 3ifs h GLU 345 Cb 1.19 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 30.06 3ifs h GLU 345 CO 0.43 0.16 -0.62 1.21 -1.00 0.00 0.00 179.01 179.19 3ifs s ASN 346 N -6.49 4.89 -0.87 1.42 3.84 -1.26 -5.00 114.94 111.47 3ifs s ASN 346 Ca -0.03 -2.33 -0.08 0.00 0.21 0.00 0.00 52.86 50.63 3ifs s ASN 346 Cb 0.14 -1.71 -0.16 0.00 -0.55 0.00 0.00 41.25 38.97 3ifs s ASN 346 CO 0.63 -0.40 3.11 -0.67 -2.79 0.00 0.00 177.10 176.98 3ifs n ASP 347 N 4.09 6.81 -0.30 -4.21 2.03 -1.26 -4.66 116.55 119.06 3ifs n ASP 347 Ca 0.03 -2.49 -0.04 0.00 0.52 0.00 0.00 54.79 52.81 3ifs n ASP 347 Cb 0.40 -1.43 0.07 0.00 -0.72 0.00 0.00 41.12 39.45 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 6.26 0.97 -0.37 -2.67 3.38 -1.94 -2.59 115.31 118.34 3ifs h LEU 348 Ca 0.54 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.46 3ifs h LEU 348 Cb 0.77 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3ifs h LEU 348 CO 1.09 0.74 0.00 -0.90 0.09 0.00 0.00 178.44 179.46 3ifs n ASP 349 N -4.47 0.58 -1.68 -0.43 5.68 -1.26 -4.92 116.55 110.05 3ifs n ASP 349 Ca 0.08 -1.20 -0.17 0.00 -0.50 0.00 0.00 54.79 53.00 3ifs n ASP 349 Cb 0.05 -0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 39.99 3ifs n ASP 349 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ifs n GLY 350 N 1.06 0.63 1.14 6.12 0.00 -0.98 -4.91 105.19 108.26 3ifs n GLY 350 Ca 0.22 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.25 3.47 0.26 0.99 4.77 -1.26 -4.46 117.00 118.52 3ifs n LEU 351 Ca -0.19 -1.55 0.09 0.00 -0.03 0.00 0.00 56.01 54.32 3ifs n LEU 351 Cb 0.62 -0.27 0.67 0.00 -2.33 0.00 0.00 43.42 42.11 3ifs n LEU 351 CO 0.25 0.76 1.04 0.78 -1.33 0.00 0.00 177.39 178.90 3ifs h ASN 352 N 4.34 0.00 0.04 -1.43 2.35 -1.91 -1.64 115.58 117.34 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 0.97 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.34 3ifs h ASN 352 CO 0.00 0.04 0.00 0.10 -1.65 0.00 0.00 177.43 175.92 3ifs h TYR 353 N 0.00 0.00 -0.01 1.19 -0.00 -1.99 0.40 116.97 116.55 3ifs h TYR 353 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3ifs h TYR 353 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.81 3ifs h TYR 353 CO 0.00 0.00 -0.13 1.28 -0.00 0.00 0.00 178.16 179.31 3ifs n LEU 354 N -2.91 1.55 -4.68 0.10 4.77 -0.61 -4.95 117.00 110.27 3ifs n LEU 354 Ca -0.03 -0.50 -0.45 0.00 -0.03 0.00 0.00 56.01 55.01 3ifs n LEU 354 Cb 0.07 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 3ifs n LEU 354 CO 0.18 0.27 1.24 0.00 -1.33 0.00 0.00 177.39 177.75 3ifs n ALA 355 N 0.00 1.82 0.00 -1.18 0.00 0.13 -1.39 120.51 119.89 3ifs n ALA 355 Ca 0.15 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3ifs n ALA 355 Cb 0.39 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.44 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 3.53 2.63 3.89 0.00 0.00 -0.24 -4.98 105.19 110.02 3ifs n GLY 356 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.19 3.10 0.39 1.61 0.41 -0.48 -4.76 118.70 118.77 3ifs s GLU 357 Ca 0.00 0.44 0.03 0.00 -0.41 0.00 0.00 54.97 55.03 3ifs s GLU 357 Cb 0.00 -2.10 -0.01 0.00 -1.78 0.00 0.00 34.13 30.24 3ifs s GLU 357 CO 0.00 -0.81 0.56 0.95 -0.49 0.00 0.00 175.26 175.48 3ifs s THR 358 N -3.21 4.10 0.28 3.63 -4.23 -1.26 -0.71 115.64 114.23 3ifs s THR 358 Ca 0.56 -0.75 -0.00 0.00 -1.18 0.00 0.00 61.69 60.32 3ifs s THR 358 Cb -0.11 -3.47 0.11 0.00 1.34 0.00 0.00 72.50 70.38 3ifs s THR 358 CO 0.51 -0.25 1.77 0.58 -0.54 0.00 0.00 174.62 176.69 3ifs h VAL 359 N 0.66 1.24 -0.17 2.29 2.07 -1.37 -2.69 116.25 118.28 3ifs h VAL 359 Ca -0.46 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 65.99 3ifs h VAL 359 Cb 1.25 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 3ifs h VAL 359 CO 0.55 0.35 -0.19 -0.78 0.02 0.00 0.00 177.57 177.52 3ifs h ASP 360 N 0.65 0.29 -0.46 0.57 3.58 -1.92 -0.90 116.42 118.22 3ifs h ASP 360 Ca 0.13 -0.08 0.03 0.00 0.42 0.00 0.00 57.03 57.53 3ifs h ASP 360 Cb 0.46 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.40 3ifs h ASP 360 CO 0.02 0.50 0.26 0.15 -2.88 0.00 0.00 179.24 177.29 3ifs h PHE 361 N 0.27 0.48 -0.59 0.28 3.57 -1.87 0.54 116.94 119.64 3ifs h PHE 361 Ca 0.05 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3ifs h PHE 361 Cb 0.50 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 3ifs h PHE 361 CO 0.01 0.27 0.33 0.28 -2.23 0.00 0.00 178.31 176.97 3ifs h VAL 362 N 0.52 1.19 -0.68 1.41 2.07 -1.17 -0.59 116.25 119.00 3ifs h VAL 362 Ca 0.19 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 3ifs h VAL 362 Cb 0.05 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 3ifs h VAL 362 CO -0.11 0.20 0.26 -1.13 0.02 0.00 0.00 177.57 176.81 3ifs h ASN 363 N 0.79 0.94 -0.56 0.57 -1.24 -0.72 -1.59 115.58 113.77 3ifs h ASN 363 Ca 0.21 -0.14 -0.06 0.00 0.71 0.00 0.00 56.30 57.01 3ifs h ASN 363 Cb 0.03 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.81 3ifs h ASN 363 CO -0.03 0.85 0.11 0.74 -1.29 0.00 0.00 177.43 177.80 3ifs h THR 364 N 0.99 1.25 -0.15 -3.57 2.02 -0.36 -1.24 112.91 111.85 3ifs h THR 364 Ca 0.23 -0.94 -0.10 0.00 0.77 0.00 0.00 66.41 66.37 3ifs h THR 364 Cb 0.21 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3ifs h THR 364 CO -0.02 0.34 -0.34 0.11 0.37 0.00 0.00 175.52 175.99 3ifs h LYS 365 N 0.82 0.31 -0.30 6.66 1.79 -0.86 -0.76 116.57 124.23 3ifs h LYS 365 Ca 0.17 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.49 3ifs h LYS 365 Cb 0.39 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 3ifs h LYS 365 CO 0.01 0.62 0.10 0.00 -1.08 0.00 0.00 179.45 179.10 3ifs h ALA 366 N 1.38 0.39 -0.17 3.86 0.00 -1.09 -0.23 119.26 123.39 3ifs h ALA 366 Ca 0.03 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3ifs h ALA 366 Cb 0.74 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3ifs h ALA 366 CO 0.06 0.00 0.08 -0.92 0.00 0.00 0.00 179.25 178.47 3ifs h TYR 367 N 0.32 0.15 -0.14 0.00 5.03 -0.85 -1.02 116.97 120.46 3ifs h TYR 367 Ca 0.10 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.40 3ifs h TYR 367 Cb 0.22 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.45 3ifs h TYR 367 CO 0.00 0.08 0.05 0.93 -1.32 0.00 0.00 178.16 177.90 3ifs h GLU 368 N 0.17 0.22 -0.78 1.82 5.08 -1.04 -1.12 114.58 118.94 3ifs h GLU 368 Ca 0.07 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3ifs h GLU 368 Cb 0.02 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 3ifs h GLU 368 CO -0.05 0.34 0.37 0.78 -1.00 0.00 0.00 179.01 179.45 3ifs h GLY 369 N 0.05 1.20 1.10 -3.84 0.00 -1.00 -2.46 103.07 98.12 3ifs h GLY 369 Ca 0.05 -0.60 -0.13 0.00 0.00 0.00 0.00 47.33 46.64 3ifs h GLY 369 CO -0.00 0.57 -0.23 -0.84 0.00 0.00 0.00 176.54 176.04 3ifs h THR 370 N 1.10 1.27 -0.46 4.70 2.02 -1.07 -1.16 112.91 119.29 3ifs h THR 370 Ca 0.27 -1.40 -0.07 0.00 0.77 0.00 0.00 66.41 65.98 3ifs h THR 370 Cb 0.13 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 3ifs h THR 370 CO -0.03 0.48 -0.01 0.17 0.37 0.00 0.00 175.52 176.50 3ifs h LEU 371 N 0.82 0.74 -0.27 2.58 8.10 -0.99 0.11 115.31 126.41 3ifs h LEU 371 Ca 0.10 -0.18 -0.20 0.00 0.11 0.00 0.00 57.88 57.71 3ifs h LEU 371 Cb 0.81 -0.20 0.00 0.00 -0.44 0.00 0.00 40.66 40.84 3ifs h LEU 371 CO 0.07 0.81 -0.64 -0.07 -4.11 0.00 0.00 178.44 174.51 3ifs h LEU 372 N 0.72 0.93 -0.25 0.17 3.38 -1.37 -1.51 115.31 117.38 3ifs h LEU 372 Ca 0.14 -0.54 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 3ifs h LEU 372 Cb 0.45 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3ifs h LEU 372 CO 0.02 1.34 0.06 0.00 0.09 0.00 0.00 178.44 179.95 3ifs h ALA 373 N 0.67 0.33 -0.63 1.53 0.00 -0.93 -0.24 119.26 119.98 3ifs h ALA 373 Ca -0.01 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3ifs h ALA 373 Cb 1.25 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 3ifs h ALA 373 CO 0.14 -0.02 0.10 0.45 0.00 0.00 0.00 179.25 179.91 3ifs h HIS 374 N 0.23 1.09 -0.40 0.00 3.86 -0.81 -0.43 115.15 118.69 3ifs h HIS 374 Ca 0.08 -0.14 0.01 0.00 -1.16 0.00 0.00 60.37 59.15 3ifs h HIS 374 Cb 0.27 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 3ifs h HIS 374 CO 0.01 0.92 0.26 0.77 0.86 0.00 0.00 177.93 180.75 3ifs h SER 375 N 0.97 0.45 0.38 2.45 0.02 -1.13 -0.51 113.55 116.17 3ifs h SER 375 Ca 0.19 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 3ifs h SER 375 Cb 0.42 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 3ifs h SER 375 CO 0.01 0.33 -0.10 0.44 -1.14 0.00 0.00 176.83 176.37 3ifs h ASP 376 N 0.54 0.00 -0.07 3.07 3.32 -0.32 -1.77 116.42 121.19 3ifs h ASP 376 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3ifs h ASP 376 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3ifs h ASP 376 CO -0.04 0.10 0.00 0.61 -1.72 0.00 0.00 179.24 178.20 3ifs n GLY 377 N -0.68 -0.08 0.25 2.75 0.00 -0.24 -4.92 105.19 102.28 3ifs n GLY 377 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 1.11 1.05 3.26 -0.02 0.00 -0.67 -4.86 105.19 105.05 3ifs n GLY 378 Ca 0.18 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 3.62 0.23 1.61 1.01 -0.26 -4.94 120.40 119.68 3ifs s VAL 379 Ca 0.00 -1.15 -0.32 0.00 0.00 0.00 0.00 61.98 60.52 3ifs s VAL 379 Cb 0.00 -3.04 -0.12 0.00 0.00 0.00 0.00 36.38 33.22 3ifs s VAL 379 CO 0.00 -0.14 1.69 -2.65 0.00 0.00 0.00 175.10 174.01 3ifs n PRO 380 N 4.78 2.76 -4.44 2.72 -0.02 -1.26 -3.63 135.00 135.91 3ifs n PRO 380 Ca -0.13 0.99 -0.33 0.00 -2.02 0.00 0.00 63.50 62.01 3ifs n PRO 380 Cb 0.45 -2.82 -0.15 0.00 -0.02 0.00 0.00 33.50 30.95 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 1.01 3.71 0.14 2.55 0.01 -1.26 -0.93 114.94 120.17 3ifs s ASN 381 Ca 0.73 -0.47 0.06 0.00 -0.71 0.00 0.00 52.86 52.47 3ifs s ASN 381 Cb -0.50 -1.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.54 3ifs s ASN 381 CO 0.36 0.07 0.01 -0.76 -1.51 0.00 0.00 177.10 175.27 3ifs s LEU 382 N 0.90 3.42 -0.06 0.60 1.43 0.92 -3.85 118.68 122.04 3ifs s LEU 382 Ca -0.03 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 3ifs s LEU 382 Cb -0.15 -2.11 0.01 0.00 0.03 0.00 0.00 46.19 43.97 3ifs s LEU 382 CO -0.01 0.13 -0.14 -0.63 0.23 0.00 0.00 176.35 175.93 3ifs s ILE 383 N -1.54 1.24 -0.33 -0.59 1.01 -0.26 -0.08 121.20 120.65 3ifs s ILE 383 Ca 0.27 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.34 3ifs s ILE 383 Cb -0.10 -1.11 0.06 0.00 0.01 0.00 0.00 42.46 41.32 3ifs s ILE 383 CO 0.19 0.37 0.06 -0.69 0.00 0.00 0.00 174.94 174.88 3ifs s VAL 384 N 0.51 3.20 -0.22 2.92 1.01 0.36 -0.79 120.40 127.38 3ifs s VAL 384 Ca -0.13 -1.49 -0.25 0.00 0.00 0.00 0.00 61.98 60.12 3ifs s VAL 384 Cb -0.15 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 3ifs s VAL 384 CO 0.04 -0.25 0.84 0.20 0.00 0.00 0.00 175.10 175.93 3ifs s ASN 385 N 1.40 6.88 -0.31 3.32 0.01 -0.29 -1.25 114.94 124.71 3ifs s ASN 385 Ca -0.02 1.10 -0.03 0.00 -0.71 0.00 0.00 52.86 53.20 3ifs s ASN 385 Cb -0.20 -2.45 0.05 0.00 0.41 0.00 0.00 41.25 39.06 3ifs s ASN 385 CO -0.01 -0.49 0.03 -0.63 -1.51 0.00 0.00 177.10 174.49 3ifs s ILE 386 N 2.65 3.22 0.18 0.60 1.01 0.77 -2.21 121.20 127.42 3ifs s ILE 386 Ca 0.36 -1.29 -0.14 0.00 0.00 0.00 0.00 60.65 59.58 3ifs s ILE 386 Cb -0.16 -2.83 0.10 0.00 0.01 0.00 0.00 42.46 39.58 3ifs s ILE 386 CO 0.09 -0.12 1.70 -0.65 0.00 0.00 0.00 174.94 175.96 3ifs h PRO 387 N 8.06 0.16 -2.63 2.79 0.11 -1.83 0.19 132.00 138.86 3ifs h PRO 387 Ca -0.22 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.98 3ifs h PRO 387 Cb 1.07 -0.04 -0.09 0.00 0.11 0.00 0.00 31.00 32.05 3ifs h PRO 387 CO 0.55 0.11 0.37 -1.83 -0.21 0.00 0.00 178.00 176.99 3ifs s GLU 388 N -6.16 1.30 -0.62 1.05 -1.05 -1.26 -1.52 118.70 110.44 3ifs s GLU 388 Ca -0.13 -0.64 -0.17 0.00 -0.15 0.00 0.00 54.97 53.87 3ifs s GLU 388 Cb 0.15 0.49 0.13 0.00 -0.44 0.00 0.00 34.13 34.46 3ifs s GLU 388 CO 0.72 -0.59 0.66 -0.51 0.95 0.00 0.00 175.26 176.49 3ifs s LEU 389 N -2.81 5.82 0.25 1.83 1.43 -1.26 -4.76 118.68 119.18 3ifs s LEU 389 Ca 0.08 -1.73 -0.04 0.00 -1.03 0.00 0.00 54.13 51.41 3ifs s LEU 389 Cb -0.02 -2.26 -0.02 0.00 0.03 0.00 0.00 46.19 43.91 3ifs s LEU 389 CO -0.02 -0.96 0.31 0.54 0.23 0.00 0.00 176.35 176.45 3ifs s ASN 390 N 3.45 0.37 0.20 2.29 2.20 -1.26 -4.94 114.94 117.25 3ifs s ASN 390 Ca 0.10 -1.31 -0.11 0.00 -0.94 0.00 0.00 52.86 50.60 3ifs s ASN 390 Cb -0.24 0.51 0.15 0.00 -2.00 0.00 0.00 41.25 39.67 3ifs s ASN 390 CO 0.03 -1.03 1.85 -0.33 -2.94 0.00 0.00 177.10 174.68 3ifs h GLU 391 N 2.37 0.84 -0.42 3.55 3.07 -1.92 -1.06 114.58 121.00 3ifs h GLU 391 Ca -0.31 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 58.53 3ifs h GLU 391 Cb 1.25 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 28.94 3ifs h GLU 391 CO 0.44 0.55 0.24 -0.92 -1.40 0.00 0.00 179.01 177.91 3ifs h TYR 392 N 0.86 0.44 -0.47 4.33 5.03 -1.90 -2.22 116.97 123.05 3ifs h TYR 392 Ca 0.26 0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.48 3ifs h TYR 392 Cb -0.05 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.08 3ifs h TYR 392 CO -0.04 0.25 -0.10 1.15 -1.32 0.00 0.00 178.16 178.10 3ifs h THR 393 N 0.48 1.26 -0.35 1.81 2.02 -1.77 -2.03 112.91 114.32 3ifs h THR 393 Ca 0.17 -1.18 0.02 0.00 0.77 0.00 0.00 66.41 66.20 3ifs h THR 393 Cb 0.03 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 3ifs h THR 393 CO -0.09 0.41 0.18 0.15 0.37 0.00 0.00 175.52 176.53 3ifs h PHE 394 N 0.76 0.33 -0.86 3.16 3.04 -0.87 0.55 116.94 123.05 3ifs h PHE 394 Ca 0.13 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.08 3ifs h PHE 394 Cb 0.60 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.97 3ifs h PHE 394 CO 0.03 0.18 0.49 0.78 -2.02 0.00 0.00 178.31 177.77 3ifs h GLY 395 N 0.37 1.27 0.95 2.40 0.00 -1.16 0.34 103.07 107.23 3ifs h GLY 395 Ca 0.15 -0.56 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 3ifs h GLY 395 CO -0.10 0.54 -0.10 -1.82 0.00 0.00 0.00 176.54 175.06 3ifs h TYR 396 N 1.19 0.79 -0.48 5.60 5.03 -1.04 -2.15 116.97 125.91 3ifs h TYR 396 Ca 0.30 -0.17 -0.03 0.00 2.58 0.00 0.00 58.73 61.41 3ifs h TYR 396 Cb 0.00 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.07 3ifs h TYR 396 CO 0.00 0.86 0.17 1.25 -1.32 0.00 0.00 178.16 179.12 3ifs h LEU 397 N 0.49 0.69 -0.49 2.82 5.85 -0.59 -1.25 115.31 122.84 3ifs h LEU 397 Ca 0.09 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.65 3ifs h LEU 397 Cb 0.61 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 3ifs h LEU 397 CO 0.04 0.70 0.28 0.58 -0.34 0.00 0.00 178.44 179.70 3ifs h VAL 398 N 0.65 1.03 -0.58 1.05 2.07 -0.86 -2.09 116.25 117.51 3ifs h VAL 398 Ca 0.16 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 3ifs h VAL 398 Cb 0.24 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3ifs h VAL 398 CO -0.01 0.10 -0.01 0.22 0.02 0.00 0.00 177.57 177.89 3ifs h TYR 399 N 0.56 1.10 -0.10 1.57 5.03 -1.09 -0.82 116.97 123.22 3ifs h TYR 399 Ca 0.20 -0.19 0.03 0.00 2.58 0.00 0.00 58.73 61.36 3ifs h TYR 399 Cb 0.05 -0.29 -0.04 0.00 1.55 0.00 0.00 36.73 38.00 3ifs h TYR 399 CO -0.08 0.98 -0.12 0.35 -1.32 0.00 0.00 178.16 177.98 3ifs h PHE 400 N 0.92 -0.29 -0.31 -3.82 3.57 -0.97 -0.17 116.94 115.88 3ifs h PHE 400 Ca 0.16 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.54 3ifs h PHE 400 Cb 0.55 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 3ifs h PHE 400 CO 0.04 -0.18 -0.39 0.74 -2.23 0.00 0.00 178.31 176.29 3ifs h PHE 401 N -0.15 0.88 -0.16 0.41 0.04 -1.17 -0.33 116.94 116.46 3ifs h PHE 401 Ca 0.08 -0.26 -0.00 0.00 2.80 0.00 0.00 57.97 60.59 3ifs h PHE 401 Cb 0.26 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 3ifs h PHE 401 CO -0.22 1.01 0.09 0.93 -0.60 0.00 0.00 178.31 179.52 3ifs h GLU 402 N 0.61 0.22 -0.52 1.51 5.08 -0.81 0.10 114.58 120.76 3ifs h GLU 402 Ca 0.05 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 3ifs h GLU 402 Cb 0.94 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 3ifs h GLU 402 CO 0.09 0.20 -0.15 -0.22 -1.00 0.00 0.00 179.01 177.93 3ifs h LYS 403 N 0.17 1.02 -0.79 2.33 1.63 -1.00 -1.01 116.57 118.92 3ifs h LYS 403 Ca 0.06 -0.40 -0.05 0.00 -0.85 0.00 0.00 60.65 59.41 3ifs h LYS 403 Cb 0.04 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.59 3ifs h LYS 403 CO -0.01 1.09 0.32 0.00 -3.45 0.00 0.00 179.45 177.40 3ifs h ALA 404 N 0.90 1.03 -0.33 5.00 0.00 -0.85 -3.01 119.26 122.00 3ifs h ALA 404 Ca 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3ifs h ALA 404 Cb 0.73 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3ifs h ALA 404 CO 0.06 0.65 0.17 0.00 0.00 0.00 0.00 179.25 180.12 3ifs n ALA 406 N -2.25 0.85 0.00 0.00 0.00 -0.42 -1.23 120.51 117.46 3ifs n ALA 406 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3ifs n ALA 406 Cb 0.10 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 0.03 0.00 -0.14 0.00 2.88 0.37 -2.11 113.62 114.66 3ifs n SER 408 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 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 0.72 1.03 0.46 0.00 -1.42 -0.07 103.07 103.79 3ifs h GLY 409 Ca 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 3ifs h GLY 409 CO 0.00 0.45 0.37 -0.97 0.00 0.00 0.00 176.54 176.39 3ifs h TYR 410 N 0.51 1.16 -0.20 5.60 0.05 -1.61 -2.01 116.97 120.48 3ifs h TYR 410 Ca 0.12 -0.07 -0.07 0.00 0.05 0.00 0.00 58.73 58.76 3ifs h TYR 410 Cb 0.39 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 3ifs h TYR 410 CO 0.03 0.86 -0.20 -0.07 -1.05 0.00 0.00 178.16 177.72 3ifs h LEU 411 N 1.13 0.35 -1.47 3.88 3.38 -1.72 -1.81 115.31 119.05 3ifs h LEU 411 Ca 0.27 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3ifs h LEU 411 Cb 0.14 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3ifs h LEU 411 CO -0.03 0.56 -0.12 0.25 0.09 0.00 0.00 178.44 179.19 3ifs h LEU 412 N 0.32 0.00 0.00 1.67 5.85 -0.49 -3.47 115.31 119.20 3ifs h LEU 412 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3ifs h LEU 412 Cb 0.54 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3ifs h LEU 412 CO 0.04 0.12 0.00 0.61 -0.34 0.00 0.00 178.44 178.87 3ifs n GLY 413 N -0.10 1.12 3.77 3.75 0.00 -0.68 -5.09 105.19 107.96 3ifs n GLY 413 Ca -0.00 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 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 1.83 -0.46 1.61 -7.23 -0.82 -5.04 120.40 108.29 3ifs s VAL 414 Ca 0.00 -1.76 -0.24 0.00 -1.81 0.00 0.00 61.98 58.16 3ifs s VAL 414 Cb 0.00 -2.59 0.03 0.00 0.56 0.00 0.00 36.38 34.38 3ifs s VAL 414 CO 0.00 0.00 0.86 0.21 -0.31 0.00 0.00 175.10 175.86 3ifs s ASN 415 N -3.96 6.45 0.02 4.85 3.84 -1.26 -4.30 114.94 120.58 3ifs s ASN 415 Ca 0.30 -0.02 0.20 0.00 0.21 0.00 0.00 52.86 53.55 3ifs s ASN 415 Cb 0.03 -2.42 0.86 0.00 -0.55 0.00 0.00 41.25 39.17 3ifs s ASN 415 CO 0.17 -1.00 1.65 -2.65 -2.79 0.00 0.00 177.10 172.48 3ifs n PRO 416 N 6.97 0.02 -0.06 0.43 -0.02 -1.26 -3.95 135.00 137.13 3ifs n PRO 416 Ca 0.04 0.17 0.04 0.00 -2.02 0.00 0.00 63.50 61.73 3ifs n PRO 416 Cb 0.48 -1.53 0.07 0.00 -0.02 0.00 0.00 33.50 32.50 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 -1.57 0.16 -3.66 6.00 3.72 -1.26 -4.33 117.46 116.52 3ifs n PHE 417 Ca 0.05 -0.24 -0.24 0.00 -0.05 0.00 0.00 57.45 56.96 3ifs n PHE 417 Cb 0.24 -0.02 0.01 0.00 -0.94 0.00 0.00 39.48 38.78 3ifs n PHE 417 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 3ifs s ASP 418 N -0.82 4.76 -0.45 4.37 -4.77 -1.25 -4.96 116.67 113.54 3ifs s ASP 418 Ca 0.13 -1.14 0.07 0.00 -3.30 0.00 0.00 52.55 48.31 3ifs s ASP 418 Cb 0.07 0.37 0.32 0.00 -1.09 0.00 0.00 42.92 42.60 3ifs s ASP 418 CO 0.10 -1.16 1.05 0.00 0.70 0.00 0.00 175.17 175.86 3ifs n GLN 419 N -1.89 1.00 0.28 2.11 0.00 -1.26 -4.73 117.38 112.89 3ifs n GLN 419 Ca 0.03 -2.16 0.14 0.00 0.00 0.00 0.00 57.00 55.02 3ifs n GLN 419 Cb 0.64 -1.15 0.80 0.00 0.00 0.00 0.00 30.24 30.52 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 3.04 0.00 0.00 2.61 0.13 -1.98 -3.11 132.00 132.69 3ifs h PRO 420 Ca -0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 3ifs h PRO 420 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 3ifs h PRO 420 CO 0.20 0.08 -0.04 0.78 -0.23 0.00 0.00 178.00 178.79 3ifs h GLY 421 N 0.71 0.00 2.00 1.56 0.00 -1.95 -2.91 103.07 102.48 3ifs h GLY 421 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ifs h GLY 421 CO 0.01 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.88 3ifs n VAL 422 N -3.20 0.37 0.17 4.60 0.24 -1.18 -3.56 118.33 115.77 3ifs n VAL 422 Ca -0.01 0.01 0.01 0.00 -2.04 0.00 0.00 64.34 62.32 3ifs n VAL 422 Cb 0.24 -0.66 0.29 0.00 -1.47 0.00 0.00 33.84 32.24 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 0.00 -0.03 7.34 4.39 -1.74 -3.21 114.58 121.33 3ifs h GLU 423 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ifs h GLU 423 Cb 0.49 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3ifs h GLU 423 CO 0.00 0.47 0.01 0.00 -1.16 0.00 0.00 179.01 178.34 3ifs h ALA 424 N 1.53 0.04 -0.32 3.43 0.00 -1.78 -0.69 119.26 121.47 3ifs h ALA 424 Ca -0.00 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 3ifs h ALA 424 Cb 0.86 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3ifs h ALA 424 CO 0.06 -0.40 -0.34 0.10 0.00 0.00 0.00 179.25 178.67 3ifs h TYR 425 N -0.07 0.84 -0.35 0.00 -0.00 -1.80 -2.77 116.97 112.81 3ifs h TYR 425 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 58.73 58.52 3ifs h TYR 425 Cb 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 36.73 36.65 3ifs h TYR 425 CO -0.03 0.96 0.23 0.87 -0.00 0.00 0.00 178.16 180.19 3ifs h LYS 426 N 0.60 0.46 -0.55 0.10 1.57 -1.53 -2.84 116.57 114.38 3ifs h LYS 426 Ca 0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3ifs h LYS 426 Cb 0.87 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 3ifs h LYS 426 CO 0.08 0.30 0.35 -0.22 -0.57 0.00 0.00 179.45 179.39 3ifs h LYS 427 N 0.47 0.74 -1.14 3.15 3.64 -1.06 -1.25 116.57 121.12 3ifs h LYS 427 Ca 0.13 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3ifs h LYS 427 Cb -0.05 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 3ifs h LYS 427 CO -0.03 0.52 0.00 0.09 -2.27 0.00 0.00 179.45 177.76 3ifs n ASN 428 N -4.67 0.57 0.00 4.20 3.02 -1.05 -2.15 115.26 115.18 3ifs n ASN 428 Ca 0.03 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 54.06 3ifs n ASN 428 Cb 0.04 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 3ifs n ASN 428 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3ifs n PHE 430 N 0.67 0.00 0.05 3.10 3.72 -0.47 -1.20 117.46 123.33 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 -0.07 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 -0.04 0.00 4.37 0.00 -1.69 -0.86 119.26 121.05 3ifs h ALA 431 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3ifs h ALA 431 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3ifs h ALA 431 CO 0.00 -0.52 -0.25 -0.07 0.00 0.00 0.00 179.25 178.41 3ifs h LEU 432 N -0.04 0.00 -0.03 0.00 3.38 -1.44 -1.41 115.31 115.77 3ifs h LEU 432 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ifs h LEU 432 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3ifs h LEU 432 CO 0.00 0.25 0.00 0.18 0.09 0.00 0.00 178.44 178.96 3ifs n LEU 433 N -3.76 0.07 0.00 1.67 4.77 -1.10 -4.90 117.00 113.75 3ifs n LEU 433 Ca -0.01 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 3ifs n LEU 433 Cb 0.35 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3ifs n LEU 433 CO 0.34 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 3ifs n GLY 434 N 0.82 0.67 3.74 -0.72 0.00 -0.53 -5.03 105.19 104.14 3ifs n GLY 434 Ca 0.05 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.01 4.33 0.20 1.61 2.20 -0.35 -4.91 119.74 119.81 3ifs s LYS 435 Ca 0.00 2.17 -0.33 0.00 -0.36 0.00 0.00 55.97 57.45 3ifs s LYS 435 Cb 0.00 -3.16 -0.14 0.00 -1.51 0.00 0.00 37.83 33.03 3ifs s LYS 435 CO 0.00 -0.33 1.48 -2.30 -0.36 0.00 0.00 175.35 173.84 3ifs n PRO 436 N 2.51 2.03 -0.08 4.03 -0.02 -1.26 -2.30 135.00 139.92 3ifs n PRO 436 Ca 0.06 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3ifs n PRO 436 Cb 0.42 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 2.75 0.49 0.51 -1.23 0.00 -1.26 -4.93 105.19 101.51 3ifs n GLY 437 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 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 0.45 -0.10 1.61 3.01 -0.97 -4.83 117.46 114.63 3ifs n PHE 438 Ca 0.00 -1.03 -0.07 0.00 1.01 0.00 0.00 57.45 57.35 3ifs n PHE 438 Cb 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 39.48 39.23 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 0.84 0.36 -0.18 -1.08 3.07 -1.90 -0.27 114.58 115.42 3ifs h GLU 439 Ca 0.02 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 3ifs h GLU 439 Cb 1.23 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 29.05 3ifs h GLU 439 CO 0.12 0.24 0.05 1.49 -1.40 0.00 0.00 179.01 179.50 3ifs h GLU 440 N 0.37 0.28 -0.81 2.33 4.81 -1.99 -2.49 114.58 117.08 3ifs h GLU 440 Ca 0.14 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3ifs h GLU 440 Cb 0.04 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 3ifs h GLU 440 CO -0.09 0.41 0.54 1.25 -0.73 0.00 0.00 179.01 180.39 3ifs h LEU 441 N 0.10 0.93 -0.26 1.64 5.85 -1.91 -2.53 115.31 119.13 3ifs h LEU 441 Ca 0.06 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.81 3ifs h LEU 441 Cb 0.26 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 3ifs h LEU 441 CO 0.00 0.67 -0.17 0.50 -0.34 0.00 0.00 178.44 179.11 3ifs h LYS 442 N 1.10 -0.14 -0.82 1.25 3.64 -0.80 -0.23 116.57 120.57 3ifs h LYS 442 Ca 0.30 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 3ifs h LYS 442 Cb -0.12 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 3ifs h LYS 442 CO -0.07 -0.09 0.42 0.00 -2.27 0.00 0.00 179.45 177.44 3ifs h ALA 443 N 1.03 1.21 -0.03 5.00 0.00 -1.26 -1.30 119.26 123.90 3ifs h ALA 443 Ca 0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ifs h ALA 443 Cb 0.36 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3ifs h ALA 443 CO -0.35 0.62 0.02 0.93 0.00 0.00 0.00 179.25 180.47 3ifs h GLU 444 N 1.15 0.05 -0.30 0.00 5.08 -0.91 -2.78 114.58 116.87 3ifs h GLU 444 Ca 0.29 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 3ifs h GLU 444 Cb 0.06 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3ifs h GLU 444 CO -0.04 0.14 0.16 -0.07 -1.00 0.00 0.00 179.01 178.20 3ifs h LEU 445 N -0.06 0.38 -1.72 1.33 3.38 -0.88 -2.93 115.31 114.81 3ifs h LEU 445 Ca 0.01 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.94 3ifs h LEU 445 Cb 0.11 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3ifs h LEU 445 CO -0.00 0.36 0.27 -0.33 0.09 0.00 0.00 178.44 178.83 3ifs h GLU 446 N 0.37 0.34 -0.72 1.13 5.08 -1.19 -0.60 114.58 119.00 3ifs h GLU 446 Ca 0.11 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 3ifs h GLU 446 Cb 0.07 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3ifs h GLU 446 CO -0.02 0.23 0.19 1.49 -1.00 0.00 0.00 179.01 179.90 3ifs h GLU 447 N 0.35 1.14 0.00 2.33 4.57 -1.32 -2.56 114.58 119.10 3ifs h GLU 447 Ca 0.17 -0.27 -0.06 0.00 -1.18 0.00 0.00 59.36 58.02 3ifs h GLU 447 Cb 0.23 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 3ifs h GLU 447 CO -0.04 0.99 -0.29 0.00 -1.18 0.00 0.00 179.01 178.49 3ifs h ARG 448 N 1.08 0.00 0.00 1.92 3.08 -0.97 -2.00 114.38 117.49 3ifs h ARG 448 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3ifs h ARG 448 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3ifs h ARG 448 CO -0.00 0.29 0.00 -0.07 -1.07 0.00 0.00 179.97 179.12 3ifs h LEU 449 N 0.00 0.00 0.00 3.04 3.38 -1.07 -3.52 115.31 117.15 3ifs h LEU 449 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ifs h LEU 449 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3ifs h LEU 449 CO 0.04 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.86