#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifs s THR 3 N 0.00 0.88 0.15 0.44 -4.23 -1.26 -5.07 115.64 106.54 3ifs s THR 3 Ca 0.00 -1.54 -0.27 0.00 -1.18 0.00 0.00 61.69 58.70 3ifs s THR 3 Cb 0.00 -1.24 -0.01 0.00 1.34 0.00 0.00 72.50 72.59 3ifs s THR 3 CO 0.00 -0.52 1.59 -0.74 -0.54 0.00 0.00 174.62 174.41 3ifs h HIS 4 N 3.74 -1.09 -3.19 3.99 -0.00 -1.98 -3.37 115.15 113.24 3ifs h HIS 4 Ca -0.37 0.05 -0.64 0.00 -0.00 0.00 0.00 60.37 59.41 3ifs h HIS 4 Cb 1.19 0.52 -0.15 0.00 -0.00 0.00 0.00 27.41 28.97 3ifs h HIS 4 CO 0.63 -0.43 -0.57 0.08 -0.00 0.00 0.00 177.93 177.64 3ifs s VAL 5 N -5.92 4.74 0.18 5.26 1.01 -1.26 -4.46 120.40 119.95 3ifs s VAL 5 Ca -0.15 -0.06 0.11 0.00 0.00 0.00 0.00 61.98 61.87 3ifs s VAL 5 Cb 0.11 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 3ifs s VAL 5 CO 0.66 0.52 -0.21 0.42 0.00 0.00 0.00 175.10 176.49 3ifs s THR 6 N -0.15 2.53 -0.16 3.92 -4.23 -1.01 -4.97 115.64 111.56 3ifs s THR 6 Ca 0.07 -1.90 -0.01 0.00 -1.18 0.00 0.00 61.69 58.66 3ifs s THR 6 Cb -0.12 -2.21 -0.01 0.00 1.34 0.00 0.00 72.50 71.50 3ifs s THR 6 CO 0.01 -0.08 -0.11 0.12 -0.54 0.00 0.00 174.62 174.03 3ifs s PHE 7 N -1.58 2.86 -0.21 3.99 5.36 -1.26 -1.10 117.98 126.04 3ifs s PHE 7 Ca 0.21 -0.78 0.01 0.00 -0.96 0.00 0.00 56.93 55.41 3ifs s PHE 7 Cb -0.08 -1.93 0.05 0.00 -0.34 0.00 0.00 43.02 40.72 3ifs s PHE 7 CO 0.10 -0.34 -0.08 0.34 -1.46 0.00 0.00 175.22 173.79 3ifs s ASP 8 N 0.72 3.53 0.00 6.13 2.15 0.19 -4.96 116.67 124.43 3ifs s ASP 8 Ca -0.05 -0.98 0.11 0.00 0.43 0.00 0.00 52.55 52.06 3ifs s ASP 8 Cb -0.15 -1.19 0.31 0.00 -0.30 0.00 0.00 42.92 41.59 3ifs s ASP 8 CO 0.02 -0.18 1.25 0.00 -0.17 0.00 0.00 175.17 176.09 3ifs n TYR 9 N 4.69 0.47 0.26 -5.34 0.18 -1.26 -1.31 117.16 114.84 3ifs n TYR 9 Ca -0.13 -0.49 0.13 0.00 1.88 0.00 0.00 57.90 59.29 3ifs n TYR 9 Cb 0.46 -0.03 0.69 0.00 -0.38 0.00 0.00 39.34 40.08 3ifs n TYR 9 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 3ifs h SER 10 N 2.10 0.00 -0.00 9.48 4.64 -1.93 -1.43 113.55 126.41 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 0.00 0.13 0.00 0.29 -0.87 0.00 0.00 176.83 176.38 3ifs n LYS 11 N -3.53 1.09 -0.12 4.77 4.76 -1.26 -3.11 118.16 120.76 3ifs n LYS 11 Ca -0.01 -0.13 0.04 0.00 -2.87 0.00 0.00 58.31 55.34 3ifs n LYS 11 Cb 0.28 -1.48 0.11 0.00 -1.84 0.00 0.00 35.03 32.10 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 -0.82 2.18 0.27 7.82 0.00 -0.54 -4.65 120.51 124.77 3ifs n ALA 12 Ca 0.22 -1.04 0.10 0.00 0.00 0.00 0.00 53.44 52.73 3ifs n ALA 12 Cb 0.14 -0.33 0.50 0.00 0.00 0.00 0.00 19.45 19.75 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 0.32 0.55 0.15 0.00 4.77 -1.18 -0.51 117.00 121.09 3ifs n LEU 13 Ca 0.09 0.69 0.13 0.00 -0.03 0.00 0.00 56.01 56.89 3ifs n LEU 13 Cb 0.37 -0.69 0.42 0.00 -2.33 0.00 0.00 43.42 41.19 3ifs n LEU 13 CO 0.06 -0.72 0.88 0.77 -1.33 0.00 0.00 177.39 177.05 3ifs h SER 14 N 0.00 0.00 0.00 -1.43 4.64 -1.87 -3.32 113.55 111.58 3ifs h SER 14 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 3ifs h SER 14 Cb 0.17 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.22 3ifs h SER 14 CO 0.00 0.00 -1.87 0.49 -0.87 0.00 0.00 176.83 174.58 3ifs n PHE 15 N -2.48 0.00 -3.80 4.77 3.01 0.34 -4.99 117.46 114.31 3ifs n PHE 15 Ca 0.04 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.34 3ifs n PHE 15 Cb 0.38 -0.59 -0.16 0.00 -0.01 0.00 0.00 39.48 39.10 3ifs n PHE 15 CO 0.00 0.00 0.00 -1.50 1.01 0.00 0.00 176.76 176.27 3ifs s ILE 16 N -2.50 -0.00 0.36 4.37 2.07 -0.72 -5.07 121.20 119.71 3ifs s ILE 16 Ca -0.06 0.20 -0.10 0.00 -1.41 0.00 0.00 60.65 59.28 3ifs s ILE 16 Cb 0.05 -0.13 -0.06 0.00 0.13 0.00 0.00 42.46 42.45 3ifs s ILE 16 CO 0.57 0.11 0.70 -0.83 -1.91 0.00 0.00 174.94 173.58 3ifs s GLY 17 N 1.14 1.98 0.35 1.50 0.00 -1.26 -4.24 107.32 106.79 3ifs s GLY 17 Ca -0.08 -0.26 0.07 0.00 0.00 0.00 0.00 44.72 44.45 3ifs s GLY 17 CO -0.03 -0.09 1.91 0.83 0.00 0.00 0.00 173.10 175.72 3ifs h GLU 18 N 1.53 0.72 -0.48 2.90 4.39 -2.00 -1.61 114.58 120.03 3ifs h GLU 18 Ca -0.47 -0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.27 3ifs h GLU 18 Cb 1.19 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.65 3ifs h GLU 18 CO 0.65 0.47 0.32 1.12 -1.16 0.00 0.00 179.01 180.42 3ifs h HIS 19 N 0.74 0.29 -0.05 4.33 2.07 -1.98 -0.51 115.15 120.03 3ifs h HIS 19 Ca 0.39 0.01 -0.03 0.00 -2.85 0.00 0.00 60.37 57.88 3ifs h HIS 19 Cb 0.50 -0.10 -0.01 0.00 2.57 0.00 0.00 27.41 30.38 3ifs h HIS 19 CO -0.00 0.15 -0.12 0.93 -3.07 0.00 0.00 177.93 175.82 3ifs h GLU 20 N 0.28 0.08 0.03 5.12 5.08 -1.68 0.64 114.58 124.13 3ifs h GLU 20 Ca 0.22 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 3ifs h GLU 20 Cb 0.49 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3ifs h GLU 20 CO -0.05 0.20 -0.22 0.82 -1.00 0.00 0.00 179.01 178.77 3ifs h ILE 21 N 0.08 1.71 -0.87 3.13 5.03 -1.22 -3.34 117.51 122.02 3ifs h ILE 21 Ca 0.02 -2.39 0.15 0.00 -0.12 0.00 0.00 64.86 62.52 3ifs h ILE 21 Cb 0.26 3.32 -0.07 0.00 -3.03 0.00 0.00 36.82 37.30 3ifs h ILE 21 CO 0.02 0.63 0.57 0.74 -0.68 0.00 0.00 178.15 179.42 3ifs h THR 22 N -0.86 0.81 0.00 -0.27 2.02 -0.83 -1.32 112.91 112.46 3ifs h THR 22 Ca -0.04 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3ifs h THR 22 Cb 1.15 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3ifs h THR 22 CO 0.03 0.11 0.00 1.88 0.37 0.00 0.00 175.52 177.91 3ifs h TYR 23 N 0.62 0.00 -0.67 3.16 0.05 -1.01 -2.85 116.97 116.26 3ifs h TYR 23 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.22 3ifs h TYR 23 Cb 0.80 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.54 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 -2.41 4.49 -0.20 3.88 4.32 -0.50 -4.58 117.00 122.00 3ifs n LEU 24 Ca 0.01 -2.30 -0.05 0.00 -0.02 0.00 0.00 56.01 53.65 3ifs n LEU 24 Cb 0.19 -0.55 0.05 0.00 -1.62 0.00 0.00 43.42 41.49 3ifs n LEU 24 CO 0.18 0.87 1.09 -0.09 -1.22 0.00 0.00 177.39 178.22 3ifs h ARG 25 N 4.12 0.67 -0.39 3.23 2.43 -1.62 -0.31 114.38 122.51 3ifs h ARG 25 Ca 0.00 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 3ifs h ARG 25 Cb 1.30 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 3ifs h ARG 25 CO 0.15 0.44 -0.01 -0.44 -1.51 0.00 0.00 179.97 178.61 3ifs h ASP 26 N 0.69 0.68 -0.82 -3.80 3.32 -1.85 -1.78 116.42 112.85 3ifs h ASP 26 Ca 0.24 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 3ifs h ASP 26 Cb 0.03 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 3ifs h ASP 26 CO -0.10 0.83 0.50 0.00 -1.72 0.00 0.00 179.24 178.74 3ifs h ALA 27 N 0.87 1.04 -0.65 3.45 0.00 -1.81 -2.01 119.26 120.16 3ifs h ALA 27 Ca 0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3ifs h ALA 27 Cb 0.48 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3ifs h ALA 27 CO 0.02 0.50 0.23 0.28 0.00 0.00 0.00 179.25 180.28 3ifs h VAL 28 N 1.12 1.25 -0.49 0.00 2.07 -0.91 -1.98 116.25 117.30 3ifs h VAL 28 Ca 0.29 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 3ifs h VAL 28 Cb -0.05 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3ifs h VAL 28 CO -0.06 0.32 0.21 0.11 0.02 0.00 0.00 177.57 178.17 3ifs h LYS 29 N 0.93 0.73 -0.49 1.57 1.57 -0.89 0.48 116.57 120.48 3ifs h LYS 29 Ca 0.21 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 3ifs h LYS 29 Cb 0.26 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3ifs h LYS 29 CO -0.01 0.64 -0.09 -0.39 -0.57 0.00 0.00 179.45 179.03 3ifs h VAL 30 N 0.66 1.26 -0.29 0.50 -1.51 -1.26 -2.22 116.25 113.38 3ifs h VAL 30 Ca 0.17 -1.19 -0.13 0.00 -1.23 0.00 0.00 66.70 64.32 3ifs h VAL 30 Cb 0.17 0.98 -0.01 0.00 -2.13 0.00 0.00 31.29 30.30 3ifs h VAL 30 CO -0.02 0.41 -0.37 0.74 -1.23 0.00 0.00 177.57 177.11 3ifs h THR 31 N 0.79 1.29 -0.65 7.19 2.02 -1.17 -2.12 112.91 120.26 3ifs h THR 31 Ca 0.13 -1.52 0.05 0.00 0.77 0.00 0.00 66.41 65.84 3ifs h THR 31 Cb 0.60 1.46 -0.05 0.00 -1.74 0.00 0.00 68.15 68.42 3ifs h THR 31 CO 0.04 0.49 0.38 -0.74 0.37 0.00 0.00 175.52 176.06 3ifs h HIS 32 N 0.55 0.70 -0.71 3.16 6.17 -0.52 -0.21 115.15 124.30 3ifs h HIS 32 Ca 0.05 0.02 -0.07 0.00 0.71 0.00 0.00 60.37 61.09 3ifs h HIS 32 Cb 0.89 -0.22 -0.03 0.00 2.52 0.00 0.00 27.41 30.57 3ifs h HIS 32 CO 0.04 0.36 0.17 0.45 0.71 0.00 0.00 177.93 179.67 3ifs h HIS 33 N 0.72 1.18 -0.83 5.26 3.86 -1.21 -1.79 115.15 122.33 3ifs h HIS 33 Ca 0.28 -0.14 0.02 0.00 -1.16 0.00 0.00 60.37 59.37 3ifs h HIS 33 Cb 0.12 -0.33 -0.05 0.00 1.06 0.00 0.00 27.41 28.21 3ifs h HIS 33 CO -0.07 0.96 0.55 0.00 0.86 0.00 0.00 177.93 180.23 3ifs h ALA 34 N 1.09 1.08 0.07 2.45 0.00 -0.62 0.97 119.26 124.30 3ifs h ALA 34 Ca 0.22 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ifs h ALA 34 Cb 0.37 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ifs h ALA 34 CO 0.00 0.42 -0.04 0.82 0.00 0.00 0.00 179.25 180.46 3ifs h ILE 35 N 1.09 1.12 0.00 0.00 2.04 -0.76 -0.64 117.51 120.36 3ifs h ILE 35 Ca 0.32 -0.70 -0.15 0.00 1.00 0.00 0.00 64.86 65.33 3ifs h ILE 35 Cb -0.07 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 3ifs h ILE 35 CO -0.09 0.17 -0.71 0.45 0.00 0.00 0.00 178.15 177.97 3ifs h HIS 36 N -0.42 0.00 -0.01 1.37 3.86 -1.19 -3.14 115.15 115.63 3ifs h HIS 36 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3ifs h HIS 36 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 3ifs h HIS 36 CO 0.03 0.71 -0.28 0.39 0.86 0.00 0.00 177.93 179.64 3ifs n GLU 37 N -3.68 1.25 -3.51 2.45 1.02 0.32 -4.98 120.64 113.51 3ifs n GLU 37 Ca -0.01 -0.91 -0.19 0.00 -0.02 0.00 0.00 57.16 56.03 3ifs n GLU 37 Cb 0.70 -1.48 0.06 0.00 -0.02 0.00 0.00 31.44 30.70 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 -0.08 -4.48 -0.00 3.49 4.01 -0.30 -4.94 118.16 115.86 3ifs n LYS 38 Ca 0.12 0.74 0.05 0.00 -0.51 0.00 0.00 58.31 58.70 3ifs n LYS 38 Cb 0.42 -5.45 -0.06 0.00 -0.51 0.00 0.00 35.03 29.44 3ifs n LYS 38 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 3ifs n THR 39 N -3.97 0.00 -2.42 -0.18 -2.24 -0.89 -4.84 114.28 99.74 3ifs n THR 39 Ca -0.22 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3ifs n THR 39 Cb 0.65 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 3ifs n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ifs n GLY 40 N 1.25 1.28 3.76 3.38 0.00 -1.26 -4.98 105.19 108.62 3ifs n GLY 40 Ca 0.02 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 3ifs n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ifs s ALA 41 N -2.43 3.68 -1.20 4.61 0.00 -1.26 -2.42 121.76 122.74 3ifs s ALA 41 Ca 0.00 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.49 3ifs s ALA 41 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.50 3ifs s ALA 41 CO 0.00 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.21 3ifs n GLY 42 N 1.67 0.20 0.02 0.00 0.00 -1.26 -4.64 105.19 101.19 3ifs n GLY 42 Ca 0.06 -0.35 0.04 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.44 0.10 0.00 1.61 6.94 -1.01 -1.50 115.26 120.95 3ifs n ASN 43 Ca -0.15 0.54 0.13 0.00 -0.02 0.00 0.00 54.58 55.07 3ifs n ASN 43 Cb 0.58 -0.55 0.62 0.00 -2.36 0.00 0.00 39.78 38.06 3ifs n ASN 43 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3ifs n ASP 44 N -1.62 0.00 -2.33 0.53 8.00 -1.26 -4.02 116.55 115.85 3ifs n ASP 44 Ca 0.01 0.19 -0.21 0.00 0.71 0.00 0.00 54.79 55.49 3ifs n ASP 44 Cb 0.06 -0.39 0.02 0.00 -0.02 0.00 0.00 41.12 40.79 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 -1.39 2.64 -1.09 1.24 3.72 -0.56 -4.21 117.46 117.80 3ifs n PHE 45 Ca 0.10 -2.56 0.07 0.00 -0.05 0.00 0.00 57.45 55.00 3ifs n PHE 45 Cb 0.26 -0.24 0.23 0.00 -0.94 0.00 0.00 39.48 38.78 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 -0.56 3.71 0.07 4.37 4.77 -1.12 -4.61 117.00 123.62 3ifs n LEU 46 Ca 0.35 -3.17 0.08 0.00 -0.03 0.00 0.00 56.01 53.24 3ifs n LEU 46 Cb 0.83 -0.55 0.37 0.00 -2.33 0.00 0.00 43.42 41.75 3ifs n LEU 46 CO 0.32 0.78 0.76 0.61 -1.33 0.00 0.00 177.39 178.53 3ifs n GLY 47 N -0.76 -1.02 0.21 -0.72 0.00 -0.03 -2.06 105.19 100.82 3ifs n GLY 47 Ca 0.23 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.34 1.61 5.08 -1.82 -3.14 115.95 117.33 3ifs h TRP 48 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 3ifs h TRP 48 Cb 0.23 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.37 3ifs h TRP 48 CO 0.00 0.01 0.19 0.28 -1.28 0.00 0.00 178.44 177.65 3ifs h VAL 49 N 0.00 1.13 -0.13 0.12 2.07 -1.79 -3.14 116.25 114.51 3ifs h VAL 49 Ca -0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3ifs h VAL 49 Cb 1.01 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3ifs h VAL 49 CO 0.00 0.13 0.00 0.47 0.02 0.00 0.00 177.57 178.19 3ifs n ASP 50 N -4.79 2.76 -0.28 0.57 8.00 -1.26 -4.65 116.55 116.91 3ifs n ASP 50 Ca -0.01 -1.83 0.10 0.00 0.71 0.00 0.00 54.79 53.76 3ifs n ASP 50 Cb 0.07 -0.08 0.24 0.00 -0.02 0.00 0.00 41.12 41.33 3ifs n ASP 50 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3ifs h LEU 51 N 3.65 0.00 -1.61 0.64 5.85 -1.49 -1.22 115.31 121.12 3ifs h LEU 51 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3ifs h LEU 51 Cb 0.81 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3ifs h LEU 51 CO 0.00 -0.10 0.01 -0.65 -0.34 0.00 0.00 178.44 177.36 3ifs h PRO 52 N 0.24 0.00 0.00 5.25 0.11 -1.82 -0.71 132.00 135.07 3ifs h PRO 52 Ca 0.49 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.35 3ifs h PRO 52 Cb 0.93 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.99 3ifs h PRO 52 CO -0.60 0.00 -1.94 1.28 -0.21 0.00 0.00 178.00 176.54 3ifs n LEU 53 N -2.35 2.87 -1.48 2.35 4.77 -0.54 -4.59 117.00 118.03 3ifs n LEU 53 Ca -0.02 -0.07 0.10 0.00 -0.03 0.00 0.00 56.01 56.00 3ifs n LEU 53 Cb 0.05 -0.57 0.34 0.00 -2.33 0.00 0.00 43.42 40.91 3ifs n LEU 53 CO 0.11 0.75 0.80 0.00 -1.33 0.00 0.00 177.39 177.72 3ifs n GLN 54 N -3.03 3.35 -1.62 3.23 6.02 -0.71 -4.99 117.38 119.63 3ifs n GLN 54 Ca -0.29 -2.80 -0.39 0.00 -0.01 0.00 0.00 57.00 53.51 3ifs n GLN 54 Cb 0.80 -1.76 0.04 0.00 1.02 0.00 0.00 30.24 30.35 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 1.30 0.93 -1.66 1.08 4.11 -0.29 -4.79 117.16 117.85 3ifs n TYR 55 Ca 0.25 0.46 -0.40 0.00 -0.00 0.00 0.00 57.90 58.22 3ifs n TYR 55 Cb 0.78 -2.17 -0.03 0.00 -0.00 0.00 0.00 39.34 37.93 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 -1.09 5.04 0.40 9.48 -1.08 -1.26 -4.84 116.67 123.32 3ifs s ASP 56 Ca 0.72 1.37 0.12 0.00 -0.52 0.00 0.00 52.55 54.24 3ifs s ASP 56 Cb -0.45 -2.51 0.84 0.00 -1.46 0.00 0.00 42.92 39.34 3ifs s ASP 56 CO 0.50 -2.36 1.91 0.11 0.52 0.00 0.00 175.17 175.84 3ifs h LYS 57 N 16.79 0.06 0.08 4.34 1.57 -1.97 -1.65 116.57 135.79 3ifs h LYS 57 Ca -0.32 -0.02 -0.26 0.00 -1.87 0.00 0.00 60.65 58.18 3ifs h LYS 57 Cb 1.24 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 3ifs h LYS 57 CO 1.07 0.30 -1.26 0.93 -0.57 0.00 0.00 179.45 179.93 3ifs h GLU 58 N 0.05 0.16 -0.15 3.15 4.39 -2.00 -2.84 114.58 117.35 3ifs h GLU 58 Ca 0.01 -0.28 -0.10 0.00 0.34 0.00 0.00 59.36 59.33 3ifs h GLU 58 Cb 0.47 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 3ifs h GLU 58 CO 0.03 1.08 -0.36 1.49 -1.16 0.00 0.00 179.01 180.09 3ifs h GLU 59 N 0.04 0.31 -0.53 2.33 4.81 -1.90 -2.53 114.58 117.11 3ifs h GLU 59 Ca -0.13 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 58.94 3ifs h GLU 59 Cb 1.92 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 31.27 3ifs h GLU 59 CO 0.16 0.64 0.20 0.35 -0.73 0.00 0.00 179.01 179.63 3ifs h PHE 60 N 0.27 0.78 -0.36 0.92 3.04 -1.26 -1.29 116.94 119.03 3ifs h PHE 60 Ca 0.03 -0.04 -0.14 0.00 3.98 0.00 0.00 57.97 61.80 3ifs h PHE 60 Cb 0.77 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 39.03 3ifs h PHE 60 CO 0.02 0.61 -0.35 0.00 -2.02 0.00 0.00 178.31 176.57 3ifs h ALA 61 N 1.46 0.71 -0.35 2.41 0.00 -1.22 -2.66 119.26 119.62 3ifs h ALA 61 Ca 0.18 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 3ifs h ALA 61 Cb 0.17 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3ifs h ALA 61 CO -0.02 0.66 -0.12 0.00 0.00 0.00 0.00 179.25 179.77 3ifs h ARG 62 N 0.68 0.61 -0.03 0.00 3.08 -0.97 -1.63 114.38 116.12 3ifs h ARG 62 Ca 0.07 -0.19 0.01 0.00 0.07 0.00 0.00 59.98 59.94 3ifs h ARG 62 Cb 0.90 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 3ifs h ARG 62 CO 0.08 0.72 -0.05 0.82 -1.07 0.00 0.00 179.97 180.47 3ifs h ILE 63 N 0.56 0.86 -0.89 2.04 2.04 -1.06 0.43 117.51 121.48 3ifs h ILE 63 Ca 0.10 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.98 3ifs h ILE 63 Cb 0.54 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 3ifs h ILE 63 CO 0.03 0.00 0.59 1.56 0.00 0.00 0.00 178.15 180.33 3ifs h GLN 64 N -0.08 1.13 -0.03 2.37 4.20 -1.20 0.02 115.11 121.51 3ifs h GLN 64 Ca 0.03 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3ifs h GLN 64 Cb 0.12 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 3ifs h GLN 64 CO -0.08 0.75 -0.00 -0.22 -0.67 0.00 0.00 178.83 178.61 3ifs h LYS 65 N 1.16 0.05 -0.97 1.46 3.64 -0.89 -2.29 116.57 118.73 3ifs h LYS 65 Ca 0.34 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.71 3ifs h LYS 65 Cb -0.05 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.72 3ifs h LYS 65 CO -0.09 0.37 0.63 0.00 -2.27 0.00 0.00 179.45 178.09 3ifs h ALA 67 N 1.38 0.57 -0.69 0.00 0.00 -0.88 -0.90 119.26 118.74 3ifs h ALA 67 Ca 0.35 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 3ifs h ALA 67 Cb -0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3ifs h ALA 67 CO -0.07 -0.15 0.15 0.93 0.00 0.00 0.00 179.25 180.11 3ifs h GLU 68 N 0.43 1.11 -0.55 0.00 4.39 -0.90 -0.79 114.58 118.27 3ifs h GLU 68 Ca 0.20 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.64 3ifs h GLU 68 Cb 0.13 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 3ifs h GLU 68 CO -0.16 0.99 0.35 -0.22 -1.16 0.00 0.00 179.01 178.81 3ifs h LYS 69 N 1.05 0.68 -0.53 2.33 3.64 -0.70 -1.54 116.57 121.50 3ifs h LYS 69 Ca 0.22 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 3ifs h LYS 69 Cb 0.39 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3ifs h LYS 69 CO 0.01 0.45 0.04 0.82 -2.27 0.00 0.00 179.45 178.49 3ifs h ILE 70 N 0.70 1.26 -0.08 2.00 2.04 -0.89 -1.45 117.51 121.09 3ifs h ILE 70 Ca 0.21 -1.04 -0.04 0.00 1.00 0.00 0.00 64.86 64.98 3ifs h ILE 70 Cb -0.03 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3ifs h ILE 70 CO -0.07 0.37 -0.15 0.11 0.00 0.00 0.00 178.15 178.41 3ifs h LYS 71 N 0.80 0.12 0.00 2.37 1.57 -0.80 -0.18 116.57 120.44 3ifs h LYS 71 Ca 0.16 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3ifs h LYS 71 Cb 0.48 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3ifs h LYS 71 CO 0.02 0.27 -0.67 0.09 -0.57 0.00 0.00 179.45 178.59 3ifs n ASN 72 N -4.30 0.62 0.00 0.86 3.02 -0.61 -4.35 115.26 110.50 3ifs n ASN 72 Ca -0.02 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 3ifs n ASN 72 Cb 0.25 0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 3ifs n ASN 72 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3ifs n ASP 73 N -1.90 1.02 -3.93 6.41 5.68 -0.58 -5.06 116.55 118.20 3ifs n ASP 73 Ca 0.04 -1.41 -0.16 0.00 -0.50 0.00 0.00 54.79 52.75 3ifs n ASP 73 Cb 0.41 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.24 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 -0.41 0.59 0.10 -1.12 0.01 -0.11 -4.66 113.70 108.10 3ifs s SER 74 Ca 0.00 -0.08 0.03 0.00 1.31 0.00 0.00 55.95 57.20 3ifs s SER 74 Cb 0.00 -0.13 -0.24 0.00 0.21 0.00 0.00 66.02 65.86 3ifs s SER 74 CO 0.00 0.02 1.20 0.44 0.41 0.00 0.00 173.24 175.31 3ifs h ASP 75 N 6.33 0.16 -4.47 2.44 3.32 -1.25 -3.42 116.42 119.53 3ifs h ASP 75 Ca -0.31 -0.18 -0.22 0.00 0.02 0.00 0.00 57.03 56.35 3ifs h ASP 75 Cb 1.18 -0.05 -0.24 0.00 0.22 0.00 0.00 39.33 40.44 3ifs h ASP 75 CO 0.50 1.14 -0.72 -0.63 -1.72 0.00 0.00 179.24 177.81 3ifs s ILE 76 N -2.68 0.16 -0.16 0.35 1.01 -0.94 -1.59 121.20 117.34 3ifs s ILE 76 Ca -0.01 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.06 3ifs s ILE 76 Cb 0.09 -0.24 0.01 0.00 0.01 0.00 0.00 42.46 42.33 3ifs s ILE 76 CO 0.84 -0.27 -0.17 -0.22 0.00 0.00 0.00 174.94 175.12 3ifs s LEU 77 N -0.90 2.33 -0.39 2.97 2.96 0.34 -2.05 118.68 123.94 3ifs s LEU 77 Ca -0.09 -0.54 -0.13 0.00 -0.22 0.00 0.00 54.13 53.15 3ifs s LEU 77 Cb -0.06 -1.53 0.02 0.00 0.50 0.00 0.00 46.19 45.12 3ifs s LEU 77 CO -0.00 0.05 0.26 -0.22 -1.32 0.00 0.00 176.35 175.12 3ifs s LEU 78 N 0.98 4.92 -0.22 -0.68 2.96 -0.02 -1.20 118.68 125.42 3ifs s LEU 78 Ca -0.02 -0.90 -0.19 0.00 -0.22 0.00 0.00 54.13 52.80 3ifs s LEU 78 Cb -0.15 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 3ifs s LEU 78 CO -0.04 -0.41 0.56 -0.69 -1.32 0.00 0.00 176.35 174.45 3ifs s VAL 79 N 1.64 5.06 -0.32 1.68 1.01 0.19 -1.56 120.40 128.09 3ifs s VAL 79 Ca 0.04 1.01 -0.09 0.00 0.00 0.00 0.00 61.98 62.95 3ifs s VAL 79 Cb -0.19 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.33 3ifs s VAL 79 CO 0.09 0.11 0.13 -0.69 0.00 0.00 0.00 175.10 174.75 3ifs s VAL 80 N 2.02 4.28 0.00 2.92 1.01 -0.29 -1.41 120.40 128.93 3ifs s VAL 80 Ca 0.25 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3ifs s VAL 80 Cb -0.16 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.96 3ifs s VAL 80 CO 0.09 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.78 3ifs n GLY 81 N 4.93 0.62 3.15 4.51 0.00 -0.98 -0.46 105.19 116.95 3ifs n GLY 81 Ca -0.13 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 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 0.18 0.00 -0.61 2.07 -1.26 -3.40 121.20 116.18 3ifs s ILE 82 Ca 0.00 -1.45 0.00 0.00 -1.41 0.00 0.00 60.65 57.79 3ifs s ILE 82 Cb 0.00 -1.40 0.00 0.00 0.13 0.00 0.00 42.46 41.19 3ifs s ILE 82 CO 0.00 -0.80 0.00 0.61 -1.91 0.00 0.00 174.94 172.84 3ifs n GLY 83 N 0.05 3.91 0.30 1.50 0.00 -1.26 -1.88 105.19 107.80 3ifs n GLY 83 Ca -0.15 0.05 0.17 0.00 0.00 0.00 0.00 46.02 46.09 3ifs n GLY 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ifs h GLY 84 N 0.00 0.00 -1.59 -0.02 0.00 -1.97 -0.43 103.07 99.07 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 -3.43 2.32 0.04 0.19 7.64 -0.79 -4.38 113.62 115.21 3ifs n SER 85 Ca -0.02 -2.13 0.00 0.00 1.01 0.00 0.00 58.87 57.73 3ifs n SER 85 Cb 0.16 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 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 0.48 -0.57 -0.18 1.43 9.36 -0.44 -4.31 117.16 122.93 3ifs n TYR 86 Ca 0.12 0.10 -0.08 0.00 3.32 0.00 0.00 57.90 61.36 3ifs n TYR 86 Cb 0.42 0.40 0.01 0.00 -0.63 0.00 0.00 39.34 39.54 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 0.71 -0.19 2.98 3.38 -1.34 -2.54 115.31 118.31 3ifs h LEU 87 Ca 0.00 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.80 3ifs h LEU 87 Cb 0.18 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3ifs h LEU 87 CO 0.00 0.70 0.10 1.23 0.09 0.00 0.00 178.44 180.55 3ifs h GLY 88 N 0.68 0.25 0.96 0.83 0.00 -1.81 0.87 103.07 104.84 3ifs h GLY 88 Ca 0.17 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 3ifs h GLY 88 CO -0.01 0.06 0.16 0.00 0.00 0.00 0.00 176.54 176.76 3ifs h ALA 89 N 1.09 0.59 -0.63 3.60 0.00 -1.86 -2.25 119.26 119.80 3ifs h ALA 89 Ca 0.07 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3ifs h ALA 89 Cb 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3ifs h ALA 89 CO -0.05 0.22 0.14 -0.09 0.00 0.00 0.00 179.25 179.47 3ifs h ARG 90 N 0.60 1.03 -0.56 0.00 2.43 -1.21 -0.79 114.38 115.87 3ifs h ARG 90 Ca 0.15 -0.26 0.02 0.00 -0.81 0.00 0.00 59.98 59.08 3ifs h ARG 90 Cb 0.23 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 3ifs h ARG 90 CO -0.01 0.94 0.35 0.00 -1.51 0.00 0.00 179.97 179.74 3ifs h ALA 91 N 1.04 0.72 -0.10 2.80 0.00 -0.66 -1.12 119.26 121.94 3ifs h ALA 91 Ca 0.20 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3ifs h ALA 91 Cb 0.39 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ifs h ALA 91 CO 0.01 0.09 -0.01 0.00 0.00 0.00 0.00 179.25 179.33 3ifs h ALA 92 N 1.23 0.13 -0.34 0.00 0.00 -1.19 -3.24 119.26 115.85 3ifs h ALA 92 Ca 0.22 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ifs h ALA 92 Cb -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3ifs h ALA 92 CO -0.08 -0.15 0.20 0.82 0.00 0.00 0.00 179.25 180.03 3ifs h ILE 93 N -0.13 1.13 0.00 0.00 2.04 -1.05 -1.44 117.51 118.06 3ifs h ILE 93 Ca 0.03 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3ifs h ILE 93 Cb 0.40 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3ifs h ILE 93 CO 0.01 0.13 0.00 -0.62 0.00 0.00 0.00 178.15 177.67 3ifs n GLU 94 N -4.79 0.52 0.00 2.37 1.02 -0.43 -1.83 120.64 117.50 3ifs n GLU 94 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3ifs n GLU 94 Cb 0.07 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 0.82 0.00 -4.83 -4.62 4.77 -0.54 -4.78 117.00 107.82 3ifs n LEU 96 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 3ifs n LEU 96 Cb 0.26 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 3ifs n LEU 96 CO 0.00 0.00 -0.05 0.20 -1.33 0.00 0.00 177.39 176.21 3ifs s ASN 97 N 0.00 4.79 0.45 -1.43 -0.87 -0.76 -5.04 114.94 112.08 3ifs s ASN 97 Ca 0.00 -0.91 -0.22 0.00 -1.57 0.00 0.00 52.86 50.16 3ifs s ASN 97 Cb 0.00 -0.44 -0.11 0.00 -0.02 0.00 0.00 41.25 40.67 3ifs s ASN 97 CO 0.00 -0.66 0.66 1.57 -2.57 0.00 0.00 177.10 176.10 3ifs n HIS 98 N -1.46 -0.10 0.30 2.20 -0.00 -1.26 -4.84 115.22 110.05 3ifs n HIS 98 Ca 0.02 0.57 0.19 0.00 -0.00 0.00 0.00 57.72 58.49 3ifs n HIS 98 Cb 0.63 -2.04 0.88 0.00 -0.00 0.00 0.00 29.99 29.46 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 0.88 0.00 -0.30 0.26 0.02 -1.98 -2.53 113.55 109.91 3ifs h SER 99 Ca -0.42 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.29 3ifs h SER 99 Cb 1.38 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.68 3ifs h SER 99 CO 0.52 0.02 -0.75 0.49 -1.14 0.00 0.00 176.83 175.97 3ifs n PHE 100 N -3.16 1.06 -0.32 3.45 3.01 -1.26 -4.94 117.46 115.31 3ifs n PHE 100 Ca -0.01 -1.67 -0.08 0.00 1.01 0.00 0.00 57.45 56.69 3ifs n PHE 100 Cb 0.21 -0.26 -0.08 0.00 -0.01 0.00 0.00 39.48 39.35 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 -0.70 -0.33 0.34 1.38 9.36 -0.95 -0.40 117.16 125.86 3ifs n TYR 101 Ca 0.24 0.95 0.15 0.00 3.32 0.00 0.00 57.90 62.56 3ifs n TYR 101 Cb 0.86 -0.56 0.55 0.00 -0.63 0.00 0.00 39.34 39.56 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 0.09 2.98 2.35 -1.92 -2.96 115.58 116.13 3ifs h ASN 102 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3ifs h ASN 102 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 3ifs h ASN 102 CO -0.71 0.00 -0.35 0.35 -1.65 0.00 0.00 177.43 175.06 3ifs n THR 103 N -2.75 0.00 -1.40 2.81 -2.24 0.47 -4.92 114.28 106.25 3ifs n THR 103 Ca 0.02 -0.21 -0.30 0.00 -2.27 0.00 0.00 64.05 61.28 3ifs n THR 103 Cb 0.32 0.88 0.09 0.00 -2.10 0.00 0.00 70.33 69.51 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 -2.45 2.79 0.72 3.22 1.43 -0.73 -5.04 118.68 118.61 3ifs s LEU 104 Ca 0.22 1.58 -0.11 0.00 -1.03 0.00 0.00 54.13 54.78 3ifs s LEU 104 Cb 0.19 -4.24 0.02 0.00 0.03 0.00 0.00 46.19 42.19 3ifs s LEU 104 CO 0.53 -2.00 1.09 -0.94 0.23 0.00 0.00 176.35 175.26 3ifs s SER 105 N -3.62 5.33 0.18 2.29 1.04 -1.26 -4.80 113.70 112.87 3ifs s SER 105 Ca 0.61 1.21 -0.13 0.00 0.48 0.00 0.00 55.95 58.12 3ifs s SER 105 Cb -0.16 -2.02 0.18 0.00 0.10 0.00 0.00 66.02 64.13 3ifs s SER 105 CO 0.56 -1.42 1.73 0.11 0.98 0.00 0.00 173.24 175.19 3ifs h LYS 106 N -0.71 0.27 -0.29 4.02 1.57 -1.96 0.33 116.57 119.80 3ifs h LYS 106 Ca -0.45 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.38 3ifs h LYS 106 Cb 1.25 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.43 3ifs h LYS 106 CO 0.63 0.18 -0.17 0.93 -0.57 0.00 0.00 179.45 180.44 3ifs h GLU 107 N 0.28 -0.14 -0.20 3.15 5.08 -1.95 0.23 114.58 121.04 3ifs h GLU 107 Ca 0.24 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 3ifs h GLU 107 Cb 0.31 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3ifs h GLU 107 CO -0.29 -0.09 0.03 1.96 -1.00 0.00 0.00 179.01 179.61 3ifs h GLN 108 N -0.14 0.34 -0.09 2.33 4.20 -1.79 -3.33 115.11 116.63 3ifs h GLN 108 Ca 0.16 -0.10 -0.18 0.00 0.06 0.00 0.00 58.65 58.59 3ifs h GLN 108 Cb 0.38 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.13 3ifs h GLN 108 CO -0.38 0.50 -0.63 -0.09 -0.67 0.00 0.00 178.83 177.56 3ifs h ARG 109 N 0.13 0.60 0.00 1.46 2.43 -0.67 -3.48 114.38 114.85 3ifs h ARG 109 Ca 0.06 -0.52 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3ifs h ARG 109 Cb 0.33 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3ifs h ARG 109 CO 0.01 1.14 0.00 1.63 -1.51 0.00 0.00 179.97 181.23 3ifs n LYS 110 N -4.12 0.00 -2.54 0.20 4.76 0.80 -4.92 118.16 112.34 3ifs n LYS 110 Ca -0.08 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.13 3ifs n LYS 110 Cb 0.67 0.00 0.07 0.00 -1.84 0.00 0.00 35.03 33.93 3ifs n LYS 110 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3ifs s THR 111 N 0.00 2.41 0.58 -0.18 -4.23 -1.26 -5.01 115.64 107.95 3ifs s THR 111 Ca 0.00 -0.57 -0.16 0.00 -1.18 0.00 0.00 61.69 59.78 3ifs s THR 111 Cb 0.00 -2.84 -0.04 0.00 1.34 0.00 0.00 72.50 70.96 3ifs s THR 111 CO 0.00 0.00 1.05 -2.84 -0.54 0.00 0.00 174.62 172.29 3ifs s PRO 112 N -4.99 3.39 0.37 3.99 0.02 -1.26 -5.00 135.00 131.51 3ifs s PRO 112 Ca 0.61 1.19 -0.27 0.00 0.02 0.00 0.00 61.00 62.56 3ifs s PRO 112 Cb -0.09 -2.04 -0.09 0.00 0.02 0.00 0.00 34.50 32.30 3ifs s PRO 112 CO 0.42 -0.75 1.22 -0.65 -0.33 0.00 0.00 177.00 176.90 3ifs s GLN 113 N -4.04 4.18 -0.26 5.54 -0.21 -0.62 -4.80 119.66 119.45 3ifs s GLN 113 Ca 0.63 1.98 -0.01 0.00 0.02 0.00 0.00 55.36 57.99 3ifs s GLN 113 Cb -0.16 -2.84 0.04 0.00 1.00 0.00 0.00 33.01 31.05 3ifs s GLN 113 CO 0.36 -0.26 -0.06 0.08 -2.12 0.00 0.00 175.29 173.29 3ifs s VAL 114 N -1.29 2.71 0.09 1.09 1.01 -1.26 -0.50 120.40 122.25 3ifs s VAL 114 Ca 0.54 -1.24 0.08 0.00 0.00 0.00 0.00 61.98 61.35 3ifs s VAL 114 Cb -0.34 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 3ifs s VAL 114 CO 0.44 0.09 -0.16 -0.76 0.00 0.00 0.00 175.10 174.71 3ifs s LEU 115 N 1.26 2.76 -0.06 3.92 1.43 -0.34 -4.99 118.68 122.65 3ifs s LEU 115 Ca -0.03 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.62 3ifs s LEU 115 Cb -0.18 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 3ifs s LEU 115 CO -0.04 0.20 -0.13 -0.36 0.23 0.00 0.00 176.35 176.26 3ifs s PHE 116 N -1.09 2.76 0.08 0.29 0.40 -1.26 -0.64 117.98 118.52 3ifs s PHE 116 Ca 0.18 -0.18 -0.10 0.00 -0.60 0.00 0.00 56.93 56.23 3ifs s PHE 116 Cb -0.11 -1.67 0.01 0.00 0.51 0.00 0.00 43.02 41.76 3ifs s PHE 116 CO 0.09 0.17 0.23 0.54 0.70 0.00 0.00 175.22 176.96 3ifs s VAL 117 N -0.61 0.12 0.00 -0.44 0.11 -0.50 -4.88 120.40 114.20 3ifs s VAL 117 Ca 0.09 -1.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.14 3ifs s VAL 117 Cb -0.11 -1.23 0.00 0.00 -1.53 0.00 0.00 36.38 33.51 3ifs s VAL 117 CO 0.01 -0.55 0.00 0.61 -3.33 0.00 0.00 175.10 171.84 3ifs n GLY 118 N 0.06 0.71 1.02 6.54 0.00 -1.26 -2.32 105.19 109.93 3ifs n GLY 118 Ca -0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.51 2.36 -4.01 1.61 0.00 -1.22 -2.67 117.38 110.94 3ifs n GLN 119 Ca 0.00 -2.03 -0.12 0.00 0.00 0.00 0.00 57.00 54.85 3ifs n GLN 119 Cb 0.00 -1.49 -0.03 0.00 0.00 0.00 0.00 30.24 28.72 3ifs n GLN 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3ifs s ASN 120 N -1.69 0.49 -0.34 2.61 2.20 -1.26 -4.97 114.94 111.99 3ifs s ASN 120 Ca 0.35 -1.28 0.07 0.00 -0.94 0.00 0.00 52.86 51.05 3ifs s ASN 120 Cb 0.21 0.69 0.45 0.00 -2.00 0.00 0.00 41.25 40.60 3ifs s ASN 120 CO 0.31 -1.35 1.16 -0.38 -2.94 0.00 0.00 177.10 173.90 3ifs n ILE 121 N -0.52 2.46 -3.33 0.54 5.41 -1.26 -4.88 119.36 117.78 3ifs n ILE 121 Ca -0.02 -4.42 -0.42 0.00 1.00 0.00 0.00 62.75 58.89 3ifs n ILE 121 Cb 0.61 -1.15 -0.09 0.00 -0.71 0.00 0.00 39.64 38.31 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 -3.58 6.20 0.30 4.38 0.15 -1.26 -4.94 113.70 114.95 3ifs s SER 122 Ca 0.50 -0.49 0.06 0.00 0.70 0.00 0.00 55.95 56.73 3ifs s SER 122 Cb 0.41 -2.22 0.48 0.00 -1.71 0.00 0.00 66.02 62.97 3ifs s SER 122 CO -0.03 -0.51 1.72 0.77 1.20 0.00 0.00 173.24 176.39 3ifs h SER 123 N 8.63 0.27 0.03 5.45 4.64 -2.05 -2.99 113.55 127.53 3ifs h SER 123 Ca -0.27 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3ifs h SER 123 Cb 1.12 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 3ifs h SER 123 CO 0.77 0.62 -0.04 0.74 -0.87 0.00 0.00 176.83 178.05 3ifs h THR 124 N 0.22 0.90 0.00 2.95 2.02 -2.04 0.96 112.91 117.92 3ifs h THR 124 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 3ifs h THR 124 Cb 0.77 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 3ifs h THR 124 CO 0.06 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.95 3ifs n TYR 125 N -5.14 0.00 0.00 3.16 4.19 -1.13 -1.06 117.16 117.18 3ifs n TYR 125 Ca -0.07 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.14 3ifs n TYR 125 Cb 0.08 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.91 3ifs n TYR 125 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 3ifs n LYS 127 N 0.30 0.00 -0.07 2.98 3.00 0.33 -1.02 118.16 123.68 3ifs n LYS 127 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.26 3ifs n LYS 127 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 35.03 35.17 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 0.70 0.00 3.14 3.32 -1.32 -3.28 116.42 118.98 3ifs h ASP 128 Ca 0.00 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 3ifs h ASP 128 Cb 0.00 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 3ifs h ASP 128 CO 0.00 0.86 0.08 -0.11 -1.72 0.00 0.00 179.24 178.35 3ifs n LEU 129 N -4.15 0.70 0.00 1.55 7.94 -0.19 -3.39 117.00 119.45 3ifs n LEU 129 Ca 0.01 -0.42 0.00 0.00 -1.11 0.00 0.00 56.01 54.48 3ifs n LEU 129 Cb 0.38 -0.16 0.00 0.00 0.53 0.00 0.00 43.42 44.17 3ifs n LEU 129 CO 0.43 0.06 0.00 0.47 -1.11 0.00 0.00 177.39 177.24 3ifs n ASP 131 N 2.14 0.00 0.10 1.96 8.00 -1.24 -2.18 116.55 125.33 3ifs n ASP 131 Ca 0.01 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.46 3ifs n ASP 131 Cb 0.08 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.24 3ifs n ASP 131 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3ifs h VAL 132 N 0.00 1.49 0.00 2.53 2.07 -1.91 -3.18 116.25 117.25 3ifs h VAL 132 Ca 0.00 -2.43 -0.06 0.00 0.82 0.00 0.00 66.70 65.03 3ifs h VAL 132 Cb 0.00 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 3ifs h VAL 132 CO 0.00 0.70 -0.27 -0.07 0.02 0.00 0.00 177.57 177.95 3ifs h LEU 133 N 0.06 0.00 -9.51 2.57 3.38 -1.77 -3.45 115.31 106.59 3ifs h LEU 133 Ca -0.02 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.37 3ifs h LEU 133 Cb 1.32 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.12 3ifs h LEU 133 CO 0.11 0.27 0.80 1.21 0.09 0.00 0.00 178.44 180.92 3ifs n GLU 134 N -3.20 2.16 -0.96 1.13 4.07 -1.21 -1.74 120.64 120.89 3ifs n GLU 134 Ca 0.02 0.78 0.00 0.00 -0.06 0.00 0.00 57.16 57.90 3ifs n GLU 134 Cb 0.61 -2.55 0.00 0.00 -0.06 0.00 0.00 31.44 29.44 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 3.41 0.44 3.40 8.31 0.00 -1.26 -5.01 105.19 114.48 3ifs n GLY 135 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.51 1.43 0.12 1.61 -0.14 -0.71 -5.13 119.74 116.42 3ifs s LYS 136 Ca 0.00 -1.41 -0.23 0.00 -1.36 0.00 0.00 55.97 52.97 3ifs s LYS 136 Cb 0.00 -1.86 -0.07 0.00 -1.68 0.00 0.00 37.83 34.22 3ifs s LYS 136 CO 0.00 0.43 0.71 -0.51 -0.76 0.00 0.00 175.35 175.22 3ifs s ASP 137 N -2.29 7.27 0.21 2.83 1.01 -1.26 -4.97 116.67 119.47 3ifs s ASP 137 Ca 0.16 1.50 -0.09 0.00 0.71 0.00 0.00 52.55 54.84 3ifs s ASP 137 Cb -0.09 -2.45 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 3ifs s ASP 137 CO 0.07 0.21 0.33 0.72 0.21 0.00 0.00 175.17 176.72 3ifs s PHE 138 N -1.02 0.55 0.21 4.23 -0.12 -1.26 -0.79 117.98 119.78 3ifs s PHE 138 Ca 0.34 -0.88 0.01 0.00 -0.05 0.00 0.00 56.93 56.35 3ifs s PHE 138 Cb -0.22 -0.06 -0.05 0.00 -0.63 0.00 0.00 43.02 42.06 3ifs s PHE 138 CO 0.24 -0.82 0.05 -1.12 -0.05 0.00 0.00 175.22 173.52 3ifs s SER 139 N -3.03 1.12 -0.04 1.98 0.01 -0.87 -4.97 113.70 107.90 3ifs s SER 139 Ca 0.24 -1.28 0.03 0.00 1.31 0.00 0.00 55.95 56.25 3ifs s SER 139 Cb 0.02 0.16 0.01 0.00 0.21 0.00 0.00 66.02 66.42 3ifs s SER 139 CO 0.06 -0.66 -0.12 -0.63 0.41 0.00 0.00 173.24 172.30 3ifs s ILE 140 N -3.74 1.07 -0.35 1.44 1.01 0.09 -0.84 121.20 119.87 3ifs s ILE 140 Ca 0.31 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.48 3ifs s ILE 140 Cb 0.07 -0.95 0.09 0.00 0.01 0.00 0.00 42.46 41.68 3ifs s ILE 140 CO 0.09 0.33 0.09 0.21 0.00 0.00 0.00 174.94 175.66 3ifs s ASN 141 N 0.33 4.96 -0.16 3.58 3.04 -0.60 -0.39 114.94 125.70 3ifs s ASN 141 Ca -0.07 -1.89 -0.17 0.00 0.04 0.00 0.00 52.86 50.77 3ifs s ASN 141 Cb -0.12 -1.72 -0.04 0.00 -1.54 0.00 0.00 41.25 37.83 3ifs s ASN 141 CO 0.02 -0.41 0.45 0.54 -3.04 0.00 0.00 177.10 174.66 3ifs s VAL 142 N 1.08 5.19 -0.22 -5.21 0.11 -0.02 -1.14 120.40 120.18 3ifs s VAL 142 Ca 0.05 0.86 0.01 0.00 -2.93 0.00 0.00 61.98 59.97 3ifs s VAL 142 Cb -0.21 -3.78 0.05 0.00 -1.53 0.00 0.00 36.38 30.91 3ifs s VAL 142 CO -0.05 0.28 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.30 3ifs s ILE 143 N 0.98 1.61 -0.28 7.04 1.01 0.39 -0.57 121.20 131.37 3ifs s ILE 143 Ca 0.23 -1.18 -0.17 0.00 0.00 0.00 0.00 60.65 59.53 3ifs s ILE 143 Cb -0.15 -1.80 0.11 0.00 0.01 0.00 0.00 42.46 40.63 3ifs s ILE 143 CO 0.09 -0.01 0.84 -0.55 0.00 0.00 0.00 174.94 175.31 3ifs s SER 144 N 1.37 -0.71 0.09 3.58 0.15 -0.65 -4.43 113.70 113.09 3ifs s SER 144 Ca -0.05 1.16 -0.19 0.00 0.70 0.00 0.00 55.95 57.58 3ifs s SER 144 Cb -0.18 1.28 -0.07 0.00 -1.71 0.00 0.00 66.02 65.34 3ifs s SER 144 CO -0.07 -0.18 1.56 0.50 1.20 0.00 0.00 173.24 176.25 3ifs h LYS 145 N 6.37 0.42 0.00 5.44 3.64 -1.92 -3.36 116.57 127.16 3ifs h LYS 145 Ca -0.29 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 58.92 3ifs h LYS 145 Cb 1.21 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 3ifs h LYS 145 CO 0.17 0.55 -1.85 -1.13 -2.27 0.00 0.00 179.45 174.92 3ifs n SER 146 N -4.68 1.00 0.00 4.20 3.41 -1.26 -2.04 113.62 114.25 3ifs n SER 146 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3ifs n SER 146 Cb 0.20 1.65 0.00 0.00 -0.26 0.00 0.00 64.21 65.80 3ifs n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ifs n GLY 147 N 1.59 0.48 0.31 5.00 0.00 -1.26 -0.78 105.19 110.53 3ifs n GLY 147 Ca -0.07 0.00 0.05 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 -2.60 0.00 -1.86 2.61 -2.24 -1.26 -4.66 114.28 104.26 3ifs n THR 148 Ca 0.00 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 60.94 3ifs n THR 148 Cb 0.09 1.16 -0.03 0.00 -2.10 0.00 0.00 70.33 69.45 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 -1.29 3.34 0.16 4.28 2.01 -1.26 -4.88 115.64 118.00 3ifs s THR 149 Ca 0.10 0.41 -0.30 0.00 0.31 0.00 0.00 61.69 62.21 3ifs s THR 149 Cb 0.09 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 3ifs s THR 149 CO 0.23 -0.05 1.54 0.74 -0.69 0.00 0.00 174.62 176.39 3ifs h THR 150 N 5.73 0.00 0.57 -0.82 2.02 -1.99 -1.86 112.91 116.57 3ifs h THR 150 Ca -0.43 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 3ifs h THR 150 Cb 1.20 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3ifs h THR 150 CO 0.95 0.00 -0.30 -0.33 0.37 0.00 0.00 175.52 176.21 3ifs h GLU 151 N -0.08 -0.78 0.00 6.66 3.07 -1.90 -1.11 114.58 120.45 3ifs h GLU 151 Ca 0.16 0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 59.02 3ifs h GLU 151 Cb 0.47 0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.55 3ifs h GLU 151 CO -0.87 -0.52 -0.26 -1.00 -1.40 0.00 0.00 179.01 174.96 3ifs h PRO 152 N -0.80 0.00 -0.34 2.33 0.13 -1.48 -2.03 132.00 129.80 3ifs h PRO 152 Ca -0.07 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.99 3ifs h PRO 152 Cb 0.63 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 3ifs h PRO 152 CO 0.11 0.26 -0.03 0.00 -0.23 0.00 0.00 178.00 178.11 3ifs h ALA 153 N 1.74 0.46 -0.30 -0.56 0.00 -1.12 -1.28 119.26 118.20 3ifs h ALA 153 Ca -0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 3ifs h ALA 153 Cb 0.59 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3ifs h ALA 153 CO 0.03 0.25 -0.03 1.25 0.00 0.00 0.00 179.25 180.75 3ifs h LEU 154 N 0.41 0.55 -0.92 0.00 5.85 -0.98 -2.08 115.31 118.15 3ifs h LEU 154 Ca 0.09 -0.34 -0.07 0.00 0.84 0.00 0.00 57.88 58.40 3ifs h LEU 154 Cb 0.50 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3ifs h LEU 154 CO 0.02 0.76 -0.00 0.00 -0.34 0.00 0.00 178.44 178.88 3ifs h ALA 155 N 0.82 1.10 -0.58 1.25 0.00 -1.37 -1.98 119.26 118.50 3ifs h ALA 155 Ca 0.08 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3ifs h ALA 155 Cb 0.49 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3ifs h ALA 155 CO 0.02 0.57 0.12 0.35 0.00 0.00 0.00 179.25 180.32 3ifs h PHE 156 N 0.74 0.99 0.04 0.00 3.57 -1.15 0.30 116.94 121.44 3ifs h PHE 156 Ca 0.14 -0.13 0.01 0.00 3.53 0.00 0.00 57.97 61.52 3ifs h PHE 156 Cb 0.45 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3ifs h PHE 156 CO 0.02 0.85 -0.07 0.00 -2.23 0.00 0.00 178.31 176.89 3ifs h ARG 157 N 0.84 -0.13 -0.01 1.11 3.08 -1.08 0.13 114.38 118.32 3ifs h ARG 157 Ca 0.18 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 3ifs h ARG 157 Cb 0.37 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 3ifs h ARG 157 CO 0.01 -0.09 0.00 0.82 -1.07 0.00 0.00 179.97 179.64 3ifs h ILE 158 N -0.14 1.03 0.00 2.04 2.04 -1.05 -2.61 117.51 118.82 3ifs h ILE 158 Ca 0.01 -0.09 -0.16 0.00 1.00 0.00 0.00 64.86 65.63 3ifs h ILE 158 Cb 0.14 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3ifs h ILE 158 CO -0.04 0.02 -0.76 -0.26 0.00 0.00 0.00 178.15 177.12 3ifs h PHE 159 N -0.03 0.00 -0.58 1.37 0.04 -0.39 -2.83 116.94 114.52 3ifs h PHE 159 Ca 0.00 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 3ifs h PHE 159 Cb 0.03 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 3ifs h PHE 159 CO -0.07 0.76 0.07 -0.09 -0.60 0.00 0.00 178.31 178.38 3ifs h ARG 160 N 0.00 0.96 -0.51 1.51 2.43 -0.74 -1.59 114.38 116.45 3ifs h ARG 160 Ca -0.01 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 58.89 3ifs h ARG 160 Cb 1.51 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.92 3ifs h ARG 160 CO 0.10 0.91 0.26 -0.22 -1.51 0.00 0.00 179.97 179.50 3ifs h LYS 161 N 0.90 0.73 -0.49 0.20 3.64 -1.36 -0.57 116.57 119.61 3ifs h LYS 161 Ca 0.18 -0.10 0.07 0.00 -1.27 0.00 0.00 60.65 59.53 3ifs h LYS 161 Cb 0.43 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.06 3ifs h LYS 161 CO 0.01 0.59 0.15 -0.07 -2.27 0.00 0.00 179.45 177.86 3ifs h LEU 162 N 0.68 0.11 -0.22 5.20 3.38 -1.21 -0.91 115.31 122.33 3ifs h LEU 162 Ca 0.18 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 3ifs h LEU 162 Cb 0.10 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3ifs h LEU 162 CO -0.02 0.09 0.12 0.25 0.09 0.00 0.00 178.44 178.97 3ifs h LEU 163 N 0.30 0.27 -0.16 1.67 5.85 -0.88 -1.42 115.31 120.95 3ifs h LEU 163 Ca 0.24 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.90 3ifs h LEU 163 Cb 0.29 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3ifs h LEU 163 CO -0.27 0.28 0.05 -0.33 -0.34 0.00 0.00 178.44 177.82 3ifs h GLU 164 N 0.25 0.12 0.00 1.25 5.08 -0.71 0.72 114.58 121.28 3ifs h GLU 164 Ca 0.08 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 3ifs h GLU 164 Cb 0.06 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3ifs h GLU 164 CO -0.01 0.08 -0.29 0.93 -1.00 0.00 0.00 179.01 178.72 3ifs h GLU 165 N 0.12 0.00 -0.01 2.33 5.08 -1.08 1.51 114.58 122.53 3ifs h GLU 165 Ca 0.07 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 3ifs h GLU 165 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3ifs h GLU 165 CO -0.08 0.29 -0.17 -0.22 -1.00 0.00 0.00 179.01 177.83 3ifs h LYS 166 N 0.00 0.14 0.00 2.33 3.64 -0.79 -3.40 116.57 118.49 3ifs h LYS 166 Ca -0.00 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3ifs h LYS 166 Cb 0.60 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3ifs h LYS 166 CO 0.04 0.84 -1.71 0.66 -2.27 0.00 0.00 179.45 177.00 3ifs n TYR 167 N -4.58 0.00 0.00 1.91 4.01 0.20 -5.10 117.16 113.60 3ifs n TYR 167 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 3ifs n TYR 167 Cb 0.44 -0.37 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 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 1.46 0.85 0.10 2.72 0.00 0.51 -4.48 105.19 106.35 3ifs n GLY 168 Ca -0.03 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.11 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 0.18 0.00 1.61 1.79 -1.94 -2.02 116.57 116.19 3ifs h LYS 169 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3ifs h LYS 169 Cb 0.00 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 3ifs h LYS 169 CO 0.00 0.12 0.00 -1.91 -1.08 0.00 0.00 179.45 176.58 3ifs n GLU 170 N -5.01 0.00 -0.32 3.15 4.07 -1.26 -1.35 120.64 119.91 3ifs n GLU 170 Ca -0.04 0.49 0.22 0.00 -0.06 0.00 0.00 57.16 57.77 3ifs n GLU 170 Cb 0.05 -1.39 0.44 0.00 -0.06 0.00 0.00 31.44 30.47 3ifs n GLU 170 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3ifs h GLU 171 N 0.00 0.17 -0.37 5.31 4.39 -1.78 0.77 114.58 123.07 3ifs h GLU 171 Ca 0.00 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3ifs h GLU 171 Cb 0.00 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 3ifs h GLU 171 CO 0.00 0.11 0.13 0.00 -1.16 0.00 0.00 179.01 178.10 3ifs h ALA 172 N 1.89 1.54 -0.54 3.43 0.00 -1.14 -1.76 119.26 122.67 3ifs h ALA 172 Ca 0.70 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.49 3ifs h ALA 172 Cb 1.63 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 3ifs h ALA 172 CO -0.70 0.35 0.29 -0.09 0.00 0.00 0.00 179.25 179.11 3ifs h ARG 173 N 0.52 0.74 0.00 0.00 2.43 0.18 -1.47 114.38 116.79 3ifs h ARG 173 Ca 0.13 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3ifs h ARG 173 Cb 0.13 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3ifs h ARG 173 CO -0.01 0.55 0.00 1.63 -1.51 0.00 0.00 179.97 180.63 3ifs n LYS 174 N -4.40 0.41 -0.11 0.20 5.02 -0.68 -3.51 118.16 115.09 3ifs n LYS 174 Ca 0.05 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.38 3ifs n LYS 174 Cb 0.10 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.71 3ifs n LYS 174 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ifs n ARG 175 N -1.29 2.66 -4.57 1.97 1.74 -0.58 -4.95 116.66 111.64 3ifs n ARG 175 Ca 0.14 -1.81 -0.33 0.00 -0.77 0.00 0.00 57.85 55.08 3ifs n ARG 175 Cb 0.24 -1.19 -0.15 0.00 -1.02 0.00 0.00 32.46 30.34 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 -0.97 2.63 -0.16 0.55 1.01 -1.07 -0.74 121.20 122.45 3ifs s ILE 176 Ca 0.16 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 60.03 3ifs s ILE 176 Cb 0.08 -2.10 0.02 0.00 0.01 0.00 0.00 42.46 40.47 3ifs s ILE 176 CO 0.11 0.52 -0.19 -0.31 0.00 0.00 0.00 174.94 175.07 3ifs s TYR 177 N 0.78 2.61 -0.22 3.97 1.51 0.48 -3.46 117.35 123.01 3ifs s TYR 177 Ca -0.06 -1.47 -0.06 0.00 -1.01 0.00 0.00 57.07 54.48 3ifs s TYR 177 Cb -0.15 -1.81 -0.02 0.00 -0.11 0.00 0.00 41.96 39.86 3ifs s TYR 177 CO 0.00 -0.72 0.01 0.00 -1.11 0.00 0.00 175.55 173.74 3ifs s ALA 178 N 1.19 3.03 -0.34 3.71 0.00 -0.29 -0.84 121.76 128.22 3ifs s ALA 178 Ca 0.01 -1.07 -0.08 0.00 0.00 0.00 0.00 51.96 50.82 3ifs s ALA 178 Cb -0.14 -1.86 0.03 0.00 0.00 0.00 0.00 23.12 21.15 3ifs s ALA 178 CO -0.09 -0.32 0.13 0.99 0.00 0.00 0.00 175.76 176.47 3ifs s THR 179 N 1.31 4.09 0.00 0.00 2.01 0.26 -0.78 115.64 122.52 3ifs s THR 179 Ca 0.04 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.09 3ifs s THR 179 Cb -0.15 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.10 3ifs s THR 179 CO 0.01 -0.14 0.00 1.07 -0.69 0.00 0.00 174.62 174.87 3ifs n THR 180 N 4.88 0.00 -1.55 -0.82 5.66 -0.33 -1.64 114.28 120.49 3ifs n THR 180 Ca -0.13 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.52 3ifs n THR 180 Cb 0.46 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 69.32 3ifs n THR 180 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3ifs s ASP 181 N 0.63 4.29 0.53 1.09 2.15 -0.86 -0.76 116.67 123.74 3ifs s ASP 181 Ca 0.00 2.52 0.31 0.00 0.43 0.00 0.00 52.55 55.81 3ifs s ASP 181 Cb 0.00 -2.61 1.16 0.00 -0.30 0.00 0.00 42.92 41.17 3ifs s ASP 181 CO 0.00 -2.21 1.91 0.07 -0.17 0.00 0.00 175.17 174.77 3ifs h LYS 182 N 0.07 0.00 0.00 4.34 2.10 -1.91 -3.43 116.57 117.74 3ifs h LYS 182 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 3ifs h LYS 182 Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 3ifs h LYS 182 CO 0.51 0.01 0.00 0.00 -2.00 0.00 0.00 179.45 177.97 3ifs n ALA 183 N -2.10 1.56 -2.06 0.07 0.00 -1.26 -5.12 120.51 111.60 3ifs n ALA 183 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.26 3ifs n ALA 183 Cb 0.35 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.83 3ifs n ALA 183 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ifs s ARG 184 N -1.14 2.56 0.00 0.00 3.00 -1.26 -4.74 118.95 117.37 3ifs s ARG 184 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 55.73 54.25 3ifs s ARG 184 Cb 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 34.95 32.31 3ifs s ARG 184 CO 0.00 -0.52 0.00 0.41 0.00 0.00 0.00 175.30 175.19 3ifs n GLY 185 N -1.97 2.39 0.26 -3.53 0.00 -1.26 -4.31 105.19 96.76 3ifs n GLY 185 Ca 0.10 -1.89 -0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 1.36 0.00 4.61 0.00 -1.27 -2.77 119.26 121.19 3ifs h ALA 186 Ca 0.00 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 3ifs h ALA 186 Cb 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ifs h ALA 186 CO 0.00 0.44 -0.58 1.25 0.00 0.00 0.00 179.25 180.36 3ifs h LEU 187 N 0.44 0.51 -0.74 0.00 5.85 -1.81 -2.38 115.31 117.18 3ifs h LEU 187 Ca 0.09 -0.77 -0.13 0.00 0.84 0.00 0.00 57.88 57.91 3ifs h LEU 187 Cb 0.38 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3ifs h LEU 187 CO 0.02 1.21 -0.62 0.50 -0.34 0.00 0.00 178.44 179.20 3ifs h LYS 188 N -0.14 0.03 0.31 1.25 3.64 -1.74 0.65 116.57 120.57 3ifs h LYS 188 Ca -0.07 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 3ifs h LYS 188 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 3ifs h LYS 188 CO 0.11 0.64 -0.15 1.15 -2.27 0.00 0.00 179.45 178.94 3ifs h THR 189 N 0.02 0.72 -0.41 1.00 2.02 -1.56 -0.35 112.91 114.35 3ifs h THR 189 Ca -0.01 -0.41 0.07 0.00 0.77 0.00 0.00 66.41 66.84 3ifs h THR 189 Cb 1.10 0.94 -0.06 0.00 -1.74 0.00 0.00 68.15 68.39 3ifs h THR 189 CO 0.08 0.08 0.04 0.25 0.37 0.00 0.00 175.52 176.35 3ifs h LEU 190 N -0.64 -0.07 -0.26 2.58 5.85 -1.39 -0.39 115.31 120.98 3ifs h LEU 190 Ca -0.04 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.81 3ifs h LEU 190 Cb 0.45 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 3ifs h LEU 190 CO 0.07 -0.00 -0.08 0.00 -0.34 0.00 0.00 178.44 178.09 3ifs h ALA 191 N 1.33 0.16 -0.71 1.25 0.00 -0.72 0.82 119.26 121.40 3ifs h ALA 191 Ca 0.20 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 3ifs h ALA 191 Cb 0.27 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3ifs h ALA 191 CO -0.30 -0.48 0.19 -0.44 0.00 0.00 0.00 179.25 178.23 3ifs h ASP 192 N -0.02 1.05 0.01 0.00 3.32 -0.64 0.12 116.42 120.26 3ifs h ASP 192 Ca 0.13 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 3ifs h ASP 192 Cb 0.21 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3ifs h ASP 192 CO -0.28 0.99 -0.20 0.78 -1.72 0.00 0.00 179.24 178.82 3ifs h ASN 193 N 1.06 0.34 0.37 6.45 2.35 -0.42 -3.21 115.58 122.53 3ifs h ASN 193 Ca 0.23 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3ifs h ASN 193 Cb 0.34 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.62 3ifs h ASN 193 CO -0.00 0.56 -1.25 1.21 -1.65 0.00 0.00 177.43 176.29 3ifs n GLU 194 N -4.18 0.40 -1.49 0.81 4.07 0.22 -5.01 120.64 115.46 3ifs n GLU 194 Ca -0.00 -0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 3ifs n GLU 194 Cb 0.35 -1.60 0.00 0.00 -0.06 0.00 0.00 31.44 30.13 3ifs n GLU 194 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ifs n GLY 195 N 1.33 0.76 3.84 8.31 0.00 0.38 -4.97 105.19 114.84 3ifs n GLY 195 Ca 0.00 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 3ifs n GLY 195 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ifs s TYR 196 N -2.00 3.38 0.20 1.61 2.02 -0.92 -4.89 117.35 116.76 3ifs s TYR 196 Ca 0.00 1.46 -0.30 0.00 -0.37 0.00 0.00 57.07 57.86 3ifs s TYR 196 Cb 0.00 -2.82 -0.09 0.00 -0.40 0.00 0.00 41.96 38.65 3ifs s TYR 196 CO 0.00 -0.52 1.32 -2.00 -1.57 0.00 0.00 175.55 172.78 3ifs s GLU 197 N -4.15 4.37 0.11 -0.62 2.56 -1.22 -4.83 118.70 114.92 3ifs s GLU 197 Ca 0.59 2.08 0.10 0.00 0.00 0.00 0.00 54.97 57.75 3ifs s GLU 197 Cb -0.11 -3.19 -0.04 0.00 2.00 0.00 0.00 34.13 32.80 3ifs s GLU 197 CO 0.34 -0.27 -0.26 0.99 -0.56 0.00 0.00 175.26 175.50 3ifs s THR 198 N 0.13 2.13 0.10 -1.70 2.01 -1.26 -1.13 115.64 115.92 3ifs s THR 198 Ca 0.57 -1.65 0.05 0.00 0.31 0.00 0.00 61.69 60.96 3ifs s THR 198 Cb -0.37 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 3ifs s THR 198 CO 0.38 0.11 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.94 3ifs s PHE 199 N -1.03 1.22 -0.12 4.92 0.08 0.04 -4.96 117.98 118.12 3ifs s PHE 199 Ca 0.12 -0.59 -0.04 0.00 0.12 0.00 0.00 56.93 56.55 3ifs s PHE 199 Cb -0.10 -0.65 -0.03 0.00 -0.57 0.00 0.00 43.02 41.66 3ifs s PHE 199 CO 0.05 0.07 0.01 0.08 -0.10 0.00 0.00 175.22 175.33 3ifs s VAL 200 N -2.16 4.35 -0.44 -0.44 1.01 -1.26 -1.18 120.40 120.27 3ifs s VAL 200 Ca 0.06 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.67 3ifs s VAL 200 Cb -0.05 -2.87 0.05 0.00 0.00 0.00 0.00 36.38 33.51 3ifs s VAL 200 CO 0.02 0.55 0.35 -0.63 0.00 0.00 0.00 175.10 175.39 3ifs s ILE 201 N -0.35 5.21 0.56 2.22 1.01 0.06 -4.52 121.20 125.39 3ifs s ILE 201 Ca 0.07 -0.90 -0.20 0.00 0.00 0.00 0.00 60.65 59.62 3ifs s ILE 201 Cb -0.12 -4.02 -0.06 0.00 0.01 0.00 0.00 42.46 38.27 3ifs s ILE 201 CO 0.02 -0.46 1.07 -2.65 0.00 0.00 0.00 174.94 172.92 3ifs n PRO 202 N 5.17 1.15 -0.29 2.79 -0.02 -1.26 -4.50 135.00 138.04 3ifs n PRO 202 Ca -0.12 0.43 0.01 0.00 -2.02 0.00 0.00 63.50 61.80 3ifs n PRO 202 Cb 0.45 -2.24 0.21 0.00 -0.02 0.00 0.00 33.50 31.89 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 0.86 0.96 -0.26 2.55 3.32 -1.97 -2.80 116.42 119.08 3ifs h ASP 203 Ca -0.48 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3ifs h ASP 203 Cb 1.35 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3ifs h ASP 203 CO 0.53 0.67 0.00 -0.90 -1.72 0.00 0.00 179.24 177.82 3ifs n ASP 204 N -4.43 2.69 -3.93 6.45 5.68 -1.26 -4.70 116.55 117.05 3ifs n ASP 204 Ca 0.11 -2.30 -0.30 0.00 -0.50 0.00 0.00 54.79 51.80 3ifs n ASP 204 Cb 0.07 -0.49 -0.15 0.00 -1.14 0.00 0.00 41.12 39.41 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 1.57 0.70 2.12 1.01 -1.06 -0.85 120.40 122.18 3ifs s VAL 205 Ca 0.23 -1.36 -0.12 0.00 0.00 0.00 0.00 61.98 60.72 3ifs s VAL 205 Cb 0.16 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.67 3ifs s VAL 205 CO 0.09 -0.20 1.08 -0.83 0.00 0.00 0.00 175.10 175.23 3ifs s GLY 206 N 1.36 1.82 0.21 4.51 0.00 -1.26 -4.73 107.32 109.21 3ifs s GLY 206 Ca -0.03 0.27 -0.14 0.00 0.00 0.00 0.00 44.72 44.82 3ifs s GLY 206 CO -0.08 0.60 1.63 -1.33 0.00 0.00 0.00 173.10 173.91 3ifs h GLY 207 N -0.56 0.41 2.00 0.20 0.00 -1.97 -1.30 103.07 101.85 3ifs h GLY 207 Ca -0.45 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3ifs h GLY 207 CO 0.55 -0.23 0.00 0.07 0.00 0.00 0.00 176.54 176.92 3ifs h ARG 208 N -0.01 0.00 -0.27 4.80 0.11 -1.93 -1.42 114.38 115.66 3ifs h ARG 208 Ca 0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.37 3ifs h ARG 208 Cb 0.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.54 3ifs h ARG 208 CO -0.64 0.00 0.00 1.19 0.10 0.00 0.00 179.97 180.62 3ifs n PHE 209 N -2.42 0.82 0.61 4.08 3.01 -0.52 -4.72 117.46 118.33 3ifs n PHE 209 Ca 0.00 -0.79 0.11 0.00 1.01 0.00 0.00 57.45 57.78 3ifs n PHE 209 Cb 0.16 -0.25 0.25 0.00 -0.01 0.00 0.00 39.48 39.64 3ifs n PHE 209 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3ifs n SER 210 N -0.30 2.93 -0.13 4.37 3.41 -0.53 -4.56 113.62 118.81 3ifs n SER 210 Ca 0.19 -1.92 0.07 0.00 -0.26 0.00 0.00 58.87 56.95 3ifs n SER 210 Cb 0.79 -0.20 0.39 0.00 -0.26 0.00 0.00 64.21 64.93 3ifs n SER 210 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3ifs h VAL 211 N 3.85 1.02 -0.02 -3.33 3.04 -1.84 -1.06 116.25 117.91 3ifs h VAL 211 Ca 0.00 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 3ifs h VAL 211 Cb 0.85 0.30 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 3ifs h VAL 211 CO 0.00 0.12 0.00 0.18 -1.01 0.00 0.00 177.57 176.86 3ifs n LEU 212 N -4.47 0.44 0.00 3.16 4.77 -1.26 -2.77 117.00 116.86 3ifs n LEU 212 Ca 0.09 -0.16 -0.19 0.00 -0.03 0.00 0.00 56.01 55.71 3ifs n LEU 212 Cb 0.21 -0.01 0.10 0.00 -2.33 0.00 0.00 43.42 41.40 3ifs n LEU 212 CO 0.34 0.08 0.48 0.35 -1.33 0.00 0.00 177.39 177.31 3ifs n THR 213 N -0.59 0.00 0.25 -5.08 -2.24 -0.40 -4.83 114.28 101.39 3ifs n THR 213 Ca 0.19 -1.22 0.18 0.00 -2.27 0.00 0.00 64.05 60.93 3ifs n THR 213 Cb 0.16 -1.05 0.89 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.84 -0.78 0.11 -1.82 -2.34 132.00 126.33 3ifs h PRO 214 Ca -0.28 0.00 0.19 0.00 0.11 0.00 0.00 66.00 66.03 3ifs h PRO 214 Cb 0.99 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 31.94 3ifs h PRO 214 CO 0.28 0.00 -0.06 0.28 -0.21 0.00 0.00 178.00 178.30 3ifs h VAL 215 N 0.00 0.20 0.01 3.15 2.07 -1.83 -2.55 116.25 117.30 3ifs h VAL 215 Ca 0.06 -0.02 -0.38 0.00 0.82 0.00 0.00 66.70 67.18 3ifs h VAL 215 Cb 0.49 0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 30.35 3ifs h VAL 215 CO -0.00 0.01 -2.40 0.61 0.02 0.00 0.00 177.57 175.81 3ifs n GLY 216 N -1.48 -0.63 0.35 2.17 0.00 -0.92 -4.61 105.19 100.07 3ifs n GLY 216 Ca 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 1.02 0.43 0.99 3.38 -1.27 -1.36 115.31 118.50 3ifs h LEU 217 Ca -0.55 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 3ifs h LEU 217 Cb 2.04 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.56 3ifs h LEU 217 CO -0.03 0.71 -0.21 0.25 0.09 0.00 0.00 178.44 179.25 3ifs h LEU 218 N 1.19 -0.49 -1.17 1.67 5.85 -1.72 0.15 115.31 120.79 3ifs h LEU 218 Ca 0.37 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.97 3ifs h LEU 218 Cb -0.02 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3ifs h LEU 218 CO -0.11 -0.22 0.00 -0.65 -0.34 0.00 0.00 178.44 177.12 3ifs h PRO 219 N -0.75 0.57 -0.37 5.25 0.11 -1.79 -0.97 132.00 134.04 3ifs h PRO 219 Ca -0.06 -0.13 0.01 0.00 0.11 0.00 0.00 66.00 65.93 3ifs h PRO 219 Cb 0.53 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 3ifs h PRO 219 CO 0.10 0.59 0.24 0.82 -0.21 0.00 0.00 178.00 179.54 3ifs h ILE 220 N 0.55 1.09 -0.50 4.15 2.04 -1.09 -1.83 117.51 121.91 3ifs h ILE 220 Ca 0.12 -0.17 -0.10 0.00 1.00 0.00 0.00 64.86 65.71 3ifs h ILE 220 Cb 0.35 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3ifs h ILE 220 CO 0.01 0.09 -0.08 0.00 0.00 0.00 0.00 178.15 178.18 3ifs h ALA 221 N 1.14 0.91 -0.63 1.87 0.00 -0.32 -2.61 119.26 119.62 3ifs h ALA 221 Ca 0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3ifs h ALA 221 Cb -0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3ifs h ALA 221 CO -0.03 0.63 0.33 0.28 0.00 0.00 0.00 179.25 180.46 3ifs h VAL 222 N 0.82 1.20 0.00 0.00 2.07 -0.90 -0.26 116.25 119.18 3ifs h VAL 222 Ca 0.14 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3ifs h VAL 222 Cb 0.59 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3ifs h VAL 222 CO 0.04 0.23 0.00 -1.54 0.02 0.00 0.00 177.57 176.31 3ifs n SER 223 N -4.37 0.00 0.00 0.57 3.41 -0.71 -4.34 113.62 108.18 3ifs n SER 223 Ca 0.06 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 3ifs n SER 223 Cb 0.11 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 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 -0.25 0.89 3.88 5.00 0.00 -0.11 -4.88 105.19 109.72 3ifs n GLY 224 Ca 0.06 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 3ifs n GLY 224 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ifs s LEU 225 N 0.00 4.09 -0.63 0.99 1.43 -1.09 -5.03 118.68 118.44 3ifs s LEU 225 Ca 0.00 0.92 -0.24 0.00 -1.03 0.00 0.00 54.13 53.78 3ifs s LEU 225 Cb 0.00 -3.71 0.06 0.00 0.03 0.00 0.00 46.19 42.56 3ifs s LEU 225 CO 0.00 -0.16 0.99 0.21 0.23 0.00 0.00 176.35 177.62 3ifs s ASN 226 N -2.67 6.23 0.50 2.29 3.84 -1.26 -4.39 114.94 119.47 3ifs s ASN 226 Ca 0.47 -0.71 0.30 0.00 0.21 0.00 0.00 52.86 53.13 3ifs s ASN 226 Cb -0.11 -2.44 1.02 0.00 -0.55 0.00 0.00 41.25 39.17 3ifs s ASN 226 CO 0.25 -1.41 1.85 0.16 -2.79 0.00 0.00 177.10 175.15 3ifs h ILE 227 N 5.99 0.00 -0.02 -5.21 3.07 -1.94 -3.12 117.51 116.28 3ifs h ILE 227 Ca -0.28 -0.65 -0.00 0.00 1.55 0.00 0.00 64.86 65.48 3ifs h ILE 227 Cb 1.07 1.64 -0.00 0.00 -0.27 0.00 0.00 36.82 39.26 3ifs h ILE 227 CO 1.16 0.00 0.01 -0.33 -1.05 0.00 0.00 178.15 177.94 3ifs h GLU 228 N 0.00 0.04 -5.16 0.16 5.08 -2.00 -3.43 114.58 109.26 3ifs h GLU 228 Ca 0.00 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 3ifs h GLU 228 Cb 0.67 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 3ifs h GLU 228 CO 0.00 0.20 0.34 0.39 -1.00 0.00 0.00 179.01 178.94 3ifs n GLU 229 N -4.98 0.47 0.00 2.33 -0.58 -1.18 -4.70 120.64 112.00 3ifs n GLU 229 Ca -0.07 -1.87 0.00 0.00 -0.42 0.00 0.00 57.16 54.79 3ifs n GLU 229 Cb 0.11 -3.84 0.00 0.00 -0.57 0.00 0.00 31.44 27.14 3ifs n GLU 229 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3ifs n LYS 232 N 8.15 0.00 -0.14 3.49 5.02 -1.26 -3.90 118.16 129.52 3ifs n LYS 232 Ca 0.42 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.60 3ifs n LYS 232 Cb 0.47 -0.01 -0.01 0.00 -0.02 0.00 0.00 35.03 35.45 3ifs n LYS 232 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3ifs h GLY 233 N 0.00 0.89 1.79 0.72 0.00 -1.84 -1.62 103.07 103.01 3ifs h GLY 233 Ca 0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 47.33 46.50 3ifs h GLY 233 CO 0.00 0.69 -0.28 0.00 0.00 0.00 0.00 176.54 176.95 3ifs h ALA 234 N 0.85 1.28 -0.34 3.60 0.00 -1.78 -1.44 119.26 121.42 3ifs h ALA 234 Ca 0.10 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 3ifs h ALA 234 Cb 0.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3ifs h ALA 234 CO 0.05 0.49 -0.39 0.00 0.00 0.00 0.00 179.25 179.39 3ifs h ALA 235 N 1.49 0.65 -0.54 0.00 0.00 -1.77 -0.12 119.26 118.97 3ifs h ALA 235 Ca 0.03 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 3ifs h ALA 235 Cb 0.62 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3ifs h ALA 235 CO 0.04 0.67 0.04 0.00 0.00 0.00 0.00 179.25 180.01 3ifs h ALA 236 N 0.87 1.06 -0.44 0.00 0.00 -0.83 -2.06 119.26 117.86 3ifs h ALA 236 Ca 0.05 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 3ifs h ALA 236 Cb 0.96 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3ifs h ALA 236 CO 0.09 0.59 -0.22 0.78 0.00 0.00 0.00 179.25 180.50 3ifs h GLY 237 N 0.99 0.97 0.79 0.00 0.00 -0.95 -1.47 103.07 103.41 3ifs h GLY 237 Ca 0.16 -0.85 0.05 0.00 0.00 0.00 0.00 47.33 46.70 3ifs h GLY 237 CO 0.02 0.77 0.51 -0.09 0.00 0.00 0.00 176.54 177.74 3ifs h ARG 238 N 0.78 0.93 0.33 4.80 1.12 -0.67 0.04 114.38 121.71 3ifs h ARG 238 Ca 0.10 -0.06 -0.02 0.00 -1.11 0.00 0.00 59.98 58.90 3ifs h ARG 238 Cb 0.77 -0.21 0.00 0.00 -0.01 0.00 0.00 29.97 30.52 3ifs h ARG 238 CO 0.06 0.61 -0.16 0.22 -3.11 0.00 0.00 179.97 177.60 3ifs h ASP 239 N 0.96 -0.38 -0.96 -3.80 3.58 -1.10 -2.53 116.42 112.18 3ifs h ASP 239 Ca 0.34 -0.17 0.05 0.00 0.42 0.00 0.00 57.03 57.68 3ifs h ASP 239 Cb 0.10 0.10 -0.06 0.00 1.72 0.00 0.00 39.33 41.19 3ifs h ASP 239 CO -0.15 0.04 0.63 0.44 -2.88 0.00 0.00 179.24 177.31 3ifs h ASP 240 N -0.88 1.01 -0.61 2.28 3.32 -1.14 -2.05 116.42 118.35 3ifs h ASP 240 Ca -0.05 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 3ifs h ASP 240 Cb 0.53 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 3ifs h ASP 240 CO 0.08 0.67 0.09 0.49 -1.72 0.00 0.00 179.24 178.84 3ifs n PHE 241 N -4.47 2.13 0.40 4.55 3.72 -0.01 -4.23 117.46 119.55 3ifs n PHE 241 Ca 0.14 -0.84 0.11 0.00 -0.05 0.00 0.00 57.45 56.81 3ifs n PHE 241 Cb 0.15 -0.56 0.26 0.00 -0.94 0.00 0.00 39.48 38.39 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 0.37 1.52 3.84 1.37 0.00 -0.77 -4.93 105.19 106.59 3ifs n GLY 242 Ca 0.31 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.46 5.10 -0.71 2.61 -1.32 -1.26 -4.99 115.64 113.61 3ifs s THR 243 Ca 0.38 0.76 0.24 0.00 -1.21 0.00 0.00 61.69 61.86 3ifs s THR 243 Cb 0.22 -3.67 0.24 0.00 -1.51 0.00 0.00 72.50 67.77 3ifs s THR 243 CO 0.30 0.57 1.73 -1.54 -2.21 0.00 0.00 174.62 173.47 3ifs n SER 244 N 1.93 0.54 -4.60 8.08 3.41 -1.26 -4.74 113.62 116.98 3ifs n SER 244 Ca -0.14 0.59 -0.43 0.00 -0.26 0.00 0.00 58.87 58.63 3ifs n SER 244 Cb 0.53 -0.72 -0.04 0.00 -0.26 0.00 0.00 64.21 63.72 3ifs n SER 244 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3ifs s GLU 245 N -3.16 3.80 0.23 4.33 2.56 -1.26 -4.33 118.70 120.87 3ifs s GLU 245 Ca 0.08 0.52 -0.07 0.00 0.00 0.00 0.00 54.97 55.51 3ifs s GLU 245 Cb 0.12 -3.82 0.40 0.00 2.00 0.00 0.00 34.13 32.82 3ifs s GLU 245 CO 0.46 -1.00 1.69 1.25 -0.56 0.00 0.00 175.26 177.11 3ifs h LEU 246 N 10.17 0.00 -1.02 2.70 5.85 -1.89 -1.23 115.31 129.90 3ifs h LEU 246 Ca -0.23 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3ifs h LEU 246 Cb 1.08 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3ifs h LEU 246 CO 0.99 -0.02 0.00 -1.84 -0.34 0.00 0.00 178.44 177.23 3ifs n GLU 247 N -5.15 0.17 -0.15 1.25 0.28 -1.26 -1.64 120.64 114.14 3ifs n GLU 247 Ca 0.12 0.52 0.06 0.00 -0.16 0.00 0.00 57.16 57.70 3ifs n GLU 247 Cb 0.40 -1.91 0.12 0.00 1.43 0.00 0.00 31.44 31.49 3ifs n GLU 247 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3ifs n GLU 248 N -2.24 2.52 -3.86 3.44 -0.58 -0.49 -4.91 120.64 114.51 3ifs n GLU 248 Ca 0.01 -2.18 -0.30 0.00 -0.42 0.00 0.00 57.16 54.27 3ifs n GLU 248 Cb 0.14 -1.36 -0.15 0.00 -0.57 0.00 0.00 31.44 29.50 3ifs n GLU 248 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3ifs s ASN 249 N -1.67 4.36 0.43 1.62 3.84 -0.65 -4.93 114.94 117.94 3ifs s ASN 249 Ca 0.22 -1.90 0.09 0.00 0.21 0.00 0.00 52.86 51.49 3ifs s ASN 249 Cb 0.17 -1.21 0.95 0.00 -0.55 0.00 0.00 41.25 40.60 3ifs s ASN 249 CO 0.06 -0.40 2.07 -0.65 -2.79 0.00 0.00 177.10 175.40 3ifs h PRO 250 N 7.84 0.43 -0.55 0.43 0.11 -1.88 -1.49 132.00 136.88 3ifs h PRO 250 Ca -0.09 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.90 3ifs h PRO 250 Cb 1.01 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 3ifs h PRO 250 CO 0.50 0.28 -0.01 0.00 -0.21 0.00 0.00 178.00 178.55 3ifs h ALA 251 N 1.79 0.74 -0.05 -0.75 0.00 -1.94 -1.79 119.26 117.25 3ifs h ALA 251 Ca 0.13 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 3ifs h ALA 251 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3ifs h ALA 251 CO -0.03 0.57 -0.54 1.88 0.00 0.00 0.00 179.25 181.13 3ifs h TYR 252 N 0.85 0.19 -0.36 0.00 0.05 -1.78 -2.18 116.97 113.75 3ifs h TYR 252 Ca 0.15 -0.07 -0.03 0.00 0.05 0.00 0.00 58.73 58.83 3ifs h TYR 252 Cb 0.55 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 3ifs h TYR 252 CO 0.04 0.67 0.10 1.96 -1.05 0.00 0.00 178.16 179.87 3ifs h GLN 253 N 0.12 0.57 -0.65 4.88 4.20 -0.98 -0.37 115.11 122.88 3ifs h GLN 253 Ca -0.00 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.58 3ifs h GLN 253 Cb 1.00 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.67 3ifs h GLN 253 CO 0.08 0.60 0.43 -0.92 -0.67 0.00 0.00 178.83 178.36 3ifs h TYR 254 N 0.43 0.82 -0.30 2.96 3.20 -1.20 -0.18 116.97 122.71 3ifs h TYR 254 Ca 0.11 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.02 3ifs h TYR 254 Cb 0.28 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 3ifs h TYR 254 CO 0.01 0.52 0.16 0.00 -1.64 0.00 0.00 178.16 177.22 3ifs h ALA 255 N 1.24 0.37 -0.41 1.82 0.00 -1.09 -0.94 119.26 120.25 3ifs h ALA 255 Ca 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3ifs h ALA 255 Cb -0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3ifs h ALA 255 CO -0.05 -0.22 0.06 0.28 0.00 0.00 0.00 179.25 179.32 3ifs h VAL 256 N 0.33 1.24 -0.27 0.00 2.07 -0.69 -2.24 116.25 116.70 3ifs h VAL 256 Ca 0.12 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 3ifs h VAL 256 Cb 0.02 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3ifs h VAL 256 CO -0.07 0.31 0.14 0.58 0.02 0.00 0.00 177.57 178.55 3ifs h VAL 257 N 0.53 1.13 -0.36 2.57 2.07 -0.92 -0.28 116.25 120.99 3ifs h VAL 257 Ca 0.12 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.35 3ifs h VAL 257 Cb 0.39 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 3ifs h VAL 257 CO 0.01 0.13 0.05 0.03 0.02 0.00 0.00 177.57 177.81 3ifs h ARG 258 N 0.32 0.16 -0.72 1.57 3.08 -1.11 0.00 114.38 117.69 3ifs h ARG 258 Ca 0.10 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 3ifs h ARG 258 Cb 0.08 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 3ifs h ARG 258 CO -0.01 0.11 0.33 -0.91 -1.07 0.00 0.00 179.97 178.42 3ifs h ASN 259 N 0.17 0.95 -0.58 7.04 2.35 -1.18 -0.51 115.58 123.81 3ifs h ASN 259 Ca 0.18 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 3ifs h ASN 259 Cb 0.22 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3ifs h ASN 259 CO -0.25 0.82 0.14 0.00 -1.65 0.00 0.00 177.43 176.49 3ifs h ALA 260 N 1.16 0.76 -0.63 -0.83 0.00 -0.58 -1.84 119.26 117.30 3ifs h ALA 260 Ca 0.24 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3ifs h ALA 260 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3ifs h ALA 260 CO -0.03 0.47 0.05 -0.07 0.00 0.00 0.00 179.25 179.67 3ifs h LEU 261 N 0.83 1.04 -0.74 0.00 3.38 -0.81 -2.41 115.31 116.60 3ifs h LEU 261 Ca 0.18 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.95 3ifs h LEU 261 Cb 0.35 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 3ifs h LEU 261 CO 0.00 1.07 0.42 0.22 0.09 0.00 0.00 178.44 180.24 3ifs h TYR 262 N 0.99 0.76 0.00 1.13 3.20 -0.87 -0.91 116.97 121.27 3ifs h TYR 262 Ca 0.19 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 3ifs h TYR 262 Cb 0.51 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 3ifs h TYR 262 CO 0.04 0.34 -0.02 -0.91 -1.64 0.00 0.00 178.16 175.96 3ifs h ASN 263 N 0.74 0.00 0.07 -2.11 -0.26 -0.86 -0.70 115.58 112.46 3ifs h ASN 263 Ca 0.34 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.08 3ifs h ASN 263 Cb 0.26 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.52 3ifs h ASN 263 CO -0.21 0.02 -0.06 0.29 -1.06 0.00 0.00 177.43 176.41 3ifs n LYS 264 N -3.16 1.34 -0.14 0.81 5.02 -0.44 -4.91 118.16 116.67 3ifs n LYS 264 Ca -0.01 -0.71 0.00 0.00 -2.02 0.00 0.00 58.31 55.57 3ifs n LYS 264 Cb 0.21 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 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 1.20 0.92 3.44 0.72 0.00 -0.27 -5.03 105.19 106.17 3ifs n GLY 265 Ca 0.18 -0.06 -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 -0.63 3.43 0.00 1.61 -0.14 -0.63 -4.62 119.74 118.75 3ifs s LYS 266 Ca 0.00 -1.53 0.25 0.00 -1.36 0.00 0.00 55.97 53.32 3ifs s LYS 266 Cb 0.00 -4.67 0.33 0.00 -1.68 0.00 0.00 37.83 31.81 3ifs s LYS 266 CO 0.00 -1.74 1.32 0.25 -0.76 0.00 0.00 175.35 174.43 3ifs n THR 267 N 5.53 0.00 -4.67 2.17 -2.24 -0.42 -3.64 114.28 111.01 3ifs n THR 267 Ca 0.13 -0.38 -0.28 0.00 -2.27 0.00 0.00 64.05 61.26 3ifs n THR 267 Cb 0.47 1.20 -0.17 0.00 -2.10 0.00 0.00 70.33 69.74 3ifs n THR 267 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3ifs s ILE 268 N -2.15 1.52 0.00 2.28 1.01 -0.78 -0.75 121.20 122.33 3ifs s ILE 268 Ca 0.27 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.24 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 0.38 0.44 0.00 1.21 0.00 0.00 0.00 174.94 176.98 3ifs n GLU 269 N 3.93 2.00 -3.66 2.79 2.13 -0.49 -1.62 120.64 125.72 3ifs n GLU 269 Ca -0.20 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.54 3ifs n GLU 269 Cb 0.52 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.14 3ifs n GLU 269 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3ifs s LEU 271 N 0.00 -0.67 0.01 4.31 2.96 -0.58 -0.38 118.68 124.34 3ifs s LEU 271 Ca 0.00 1.06 0.03 0.00 -0.22 0.00 0.00 54.13 55.00 3ifs s LEU 271 Cb 0.00 1.48 -0.03 0.00 0.50 0.00 0.00 46.19 48.13 3ifs s LEU 271 CO 0.00 -0.23 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.14 3ifs s ILE 272 N 2.54 3.88 0.13 6.68 -1.09 0.47 -1.58 121.20 132.22 3ifs s ILE 272 Ca -0.03 -0.71 0.01 0.00 -2.23 0.00 0.00 60.65 57.69 3ifs s ILE 272 Cb -0.12 -2.71 -0.04 0.00 -1.58 0.00 0.00 42.46 38.01 3ifs s ILE 272 CO -0.14 0.37 -0.02 0.54 -1.23 0.00 0.00 174.94 174.47 3ifs s ASN 273 N -1.52 1.00 -0.13 3.58 2.20 -1.06 -0.34 114.94 118.67 3ifs s ASN 273 Ca 0.18 -1.10 0.18 0.00 -0.94 0.00 0.00 52.86 51.19 3ifs s ASN 273 Cb -0.11 0.14 0.28 0.00 -2.00 0.00 0.00 41.25 39.56 3ifs s ASN 273 CO 0.09 -0.55 1.15 -1.22 -2.94 0.00 0.00 177.10 173.63 3ifs n TYR 274 N -0.11 0.00 -3.70 1.54 4.02 -1.26 -0.59 117.16 117.06 3ifs n TYR 274 Ca -0.09 -0.98 -0.21 0.00 -0.01 0.00 0.00 57.90 56.61 3ifs n TYR 274 Cb 0.62 -0.15 -0.18 0.00 -0.02 0.00 0.00 39.34 39.61 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 -2.79 0.12 0.63 -0.72 0.41 -1.26 -4.81 118.70 110.28 3ifs s GLU 275 Ca 0.31 0.30 0.35 0.00 -0.41 0.00 0.00 54.97 55.53 3ifs s GLU 275 Cb 0.27 -0.64 2.03 0.00 -1.78 0.00 0.00 34.13 34.01 3ifs s GLU 275 CO 0.03 -0.32 2.26 -1.00 -0.49 0.00 0.00 175.26 175.73 3ifs h PRO 276 N 8.41 0.00 0.00 0.39 0.13 -1.93 -1.41 132.00 137.58 3ifs h PRO 276 Ca -0.14 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3ifs h PRO 276 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 3ifs h PRO 276 CO 0.18 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 177.95 3ifs h ALA 277 N 1.92 1.01 -0.02 -0.56 0.00 -1.96 -2.46 119.26 117.19 3ifs h ALA 277 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ifs h ALA 277 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ifs h ALA 277 CO -0.00 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.54 3ifs n LEU 278 N -3.11 0.57 0.00 0.00 4.77 -0.53 -4.37 117.00 114.34 3ifs n LEU 278 Ca -0.01 -0.20 -0.10 0.00 -0.03 0.00 0.00 56.01 55.67 3ifs n LEU 278 Cb 0.22 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 3ifs n LEU 278 CO 0.25 0.10 0.70 -0.61 -1.33 0.00 0.00 177.39 176.50 3ifs h GLN 279 N 0.86 -0.29 0.00 3.23 4.15 -1.61 -2.19 115.11 119.27 3ifs h GLN 279 Ca 0.00 0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.36 3ifs h GLN 279 Cb 0.18 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 3ifs h GLN 279 CO 0.00 -0.19 -0.40 1.88 -1.93 0.00 0.00 178.83 178.19 3ifs h TYR 280 N -0.30 0.00 -0.98 3.99 0.05 -1.84 -2.40 116.97 115.50 3ifs h TYR 280 Ca 0.10 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.93 3ifs h TYR 280 Cb 0.45 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.13 3ifs h TYR 280 CO -0.34 0.40 0.64 0.35 -1.05 0.00 0.00 178.16 178.16 3ifs h PHE 281 N 0.00 1.18 -0.99 4.88 3.57 -1.66 -0.96 116.94 122.96 3ifs h PHE 281 Ca -0.00 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.57 3ifs h PHE 281 Cb 0.79 -0.39 -0.06 0.00 2.79 0.00 0.00 35.95 39.08 3ifs h PHE 281 CO 0.00 0.65 0.64 0.00 -2.23 0.00 0.00 178.31 177.38 3ifs h ALA 282 N 1.45 1.33 -0.69 2.41 0.00 -0.89 0.87 119.26 123.74 3ifs h ALA 282 Ca 0.40 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 3ifs h ALA 282 Cb 0.08 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3ifs h ALA 282 CO -0.14 0.51 0.18 0.93 0.00 0.00 0.00 179.25 180.74 3ifs h GLU 283 N 1.23 1.10 -0.66 0.00 4.39 -1.11 0.58 114.58 120.11 3ifs h GLU 283 Ca 0.40 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 3ifs h GLU 283 Cb 0.04 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 3ifs h GLU 283 CO -0.14 0.97 0.40 2.35 -1.16 0.00 0.00 179.01 181.43 3ifs h TRP 284 N 1.04 0.88 -0.64 4.33 7.01 -0.52 -1.86 115.95 126.18 3ifs h TRP 284 Ca 0.22 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.17 3ifs h TRP 284 Cb 0.35 -0.29 -0.03 0.00 -2.10 0.00 0.00 29.16 27.10 3ifs h TRP 284 CO 0.03 0.60 0.20 2.35 -2.79 0.00 0.00 178.44 178.82 3ifs h TRP 285 N 0.90 1.03 -0.55 2.65 7.01 -0.33 -1.68 115.95 124.99 3ifs h TRP 285 Ca 0.24 -0.10 -0.02 0.00 2.11 0.00 0.00 58.89 61.12 3ifs h TRP 285 Cb -0.02 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 26.71 3ifs h TRP 285 CO -0.02 0.84 0.27 0.87 -2.79 0.00 0.00 178.44 177.62 3ifs h LYS 286 N 0.92 0.78 -0.41 2.65 1.57 -0.58 -1.20 116.57 120.30 3ifs h LYS 286 Ca 0.21 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3ifs h LYS 286 Cb 0.29 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3ifs h LYS 286 CO -0.01 0.63 0.15 0.37 -0.57 0.00 0.00 179.45 180.03 3ifs h GLN 287 N 0.74 0.62 0.42 3.15 4.15 -1.17 0.18 115.11 123.20 3ifs h GLN 287 Ca 0.19 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 3ifs h GLN 287 Cb 0.10 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 3ifs h GLN 287 CO -0.03 0.59 -0.37 1.25 -1.93 0.00 0.00 178.83 178.34 3ifs h LEU 288 N 0.52 -1.00 -0.09 -2.39 5.85 -1.00 -0.54 115.31 116.66 3ifs h LEU 288 Ca 0.13 0.08 -0.25 0.00 0.84 0.00 0.00 57.88 58.69 3ifs h LEU 288 Cb 0.21 0.33 0.01 0.00 0.37 0.00 0.00 40.66 41.58 3ifs h LEU 288 CO -0.01 -0.53 -1.01 -0.26 -0.34 0.00 0.00 178.44 176.29 3ifs h PHE 289 N -0.80 0.79 -0.07 1.25 0.04 -1.25 -2.85 116.94 114.05 3ifs h PHE 289 Ca -0.04 -0.44 -0.01 0.00 2.80 0.00 0.00 57.97 60.29 3ifs h PHE 289 Cb 0.70 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.76 3ifs h PHE 289 CO -0.19 1.27 0.02 0.78 -0.60 0.00 0.00 178.31 179.60 3ifs h GLY 290 N 0.89 0.12 1.74 -1.45 0.00 -0.63 -1.69 103.07 102.05 3ifs h GLY 290 Ca -0.11 -0.07 -0.15 0.00 0.00 0.00 0.00 47.33 47.01 3ifs h GLY 290 CO 0.18 0.06 -0.60 0.83 0.00 0.00 0.00 176.54 177.02 3ifs h GLU 291 N -0.07 0.26 -0.08 4.80 5.08 -1.22 -1.23 114.58 122.13 3ifs h GLU 291 Ca 0.02 -0.18 -0.22 0.00 -1.00 0.00 0.00 59.36 57.99 3ifs h GLU 291 Cb 0.20 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3ifs h GLU 291 CO -0.00 0.78 -0.83 0.77 -1.00 0.00 0.00 179.01 178.74 3ifs h SER 292 N 0.20 0.70 0.00 1.42 0.02 -1.49 -3.39 113.55 111.01 3ifs h SER 292 Ca -0.00 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3ifs h SER 292 Cb 1.10 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.43 3ifs h SER 292 CO 0.09 1.27 -1.14 -0.62 -1.14 0.00 0.00 176.83 175.29 3ifs n GLU 293 N -3.85 1.51 -1.58 3.45 1.02 -0.64 -4.21 120.64 116.34 3ifs n GLU 293 Ca -0.07 -0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.59 3ifs n GLU 293 Cb 0.77 -1.19 -0.01 0.00 -0.02 0.00 0.00 31.44 30.98 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 1.59 4.07 3.40 0.62 0.00 -0.46 -4.04 105.19 110.37 3ifs n GLY 294 Ca -0.00 -1.51 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 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 3.41 1.25 -1.22 1.61 -2.85 -1.21 -4.90 119.74 115.82 3ifs s LYS 295 Ca 0.51 -1.15 -0.03 0.00 -1.00 0.00 0.00 55.97 54.29 3ifs s LYS 295 Cb 0.14 0.41 0.02 0.00 -2.06 0.00 0.00 37.83 36.35 3ifs s LYS 295 CO -0.05 -0.48 0.23 -0.25 0.10 0.00 0.00 175.35 174.90 3ifs n ASP 296 N -0.26 -4.22 -1.79 0.03 8.00 -1.26 -1.01 116.55 116.04 3ifs n ASP 296 Ca -0.07 -0.05 -0.16 0.00 0.71 0.00 0.00 54.79 55.22 3ifs n ASP 296 Cb 0.63 -3.52 -0.01 0.00 -0.02 0.00 0.00 41.12 38.19 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 -3.25 -1.27 -4.52 -1.24 3.00 -1.26 -5.01 117.38 103.83 3ifs n GLN 297 Ca -0.11 0.80 -0.25 0.00 -0.01 0.00 0.00 57.00 57.43 3ifs n GLN 297 Cb 0.59 -5.18 -0.09 0.00 0.00 0.00 0.00 30.24 25.57 3ifs n GLN 297 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3ifs s LYS 298 N -4.71 1.86 0.00 -1.09 1.02 -0.18 -5.14 119.74 111.50 3ifs s LYS 298 Ca 0.00 -2.11 0.00 0.00 0.02 0.00 0.00 55.97 53.88 3ifs s LYS 298 Cb 0.00 -0.82 0.00 0.00 -0.52 0.00 0.00 37.83 36.49 3ifs s LYS 298 CO 0.00 -0.36 0.00 0.41 -0.92 0.00 0.00 175.35 174.48 3ifs n GLY 299 N -0.87 2.98 3.71 -3.33 0.00 -1.26 -3.35 105.19 103.08 3ifs n GLY 299 Ca -0.06 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.34 3.41 -0.15 -0.61 1.01 -1.26 -4.97 121.20 117.29 3ifs s ILE 300 Ca 0.00 0.98 -0.29 0.00 0.00 0.00 0.00 60.65 61.34 3ifs s ILE 300 Cb 0.00 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 3ifs s ILE 300 CO 0.00 0.06 1.38 0.12 0.00 0.00 0.00 174.94 176.50 3ifs s PHE 301 N 1.34 2.58 -0.23 3.97 5.36 0.07 -4.84 117.98 126.23 3ifs s PHE 301 Ca 0.64 0.77 -0.24 0.00 -0.96 0.00 0.00 56.93 57.14 3ifs s PHE 301 Cb -0.36 -3.66 -0.01 0.00 -0.34 0.00 0.00 43.02 38.65 3ifs s PHE 301 CO 0.30 -2.30 0.81 -1.25 -1.46 0.00 0.00 175.22 171.32 3ifs s PRO 302 N 3.76 4.19 0.46 10.12 0.04 -1.26 -1.39 135.00 150.92 3ifs s PRO 302 Ca 0.60 0.92 0.03 0.00 0.04 0.00 0.00 61.00 62.59 3ifs s PRO 302 Cb -0.24 -3.63 -0.02 0.00 0.04 0.00 0.00 34.50 30.64 3ifs s PRO 302 CO 0.20 -0.48 0.05 0.45 0.04 0.00 0.00 177.00 177.26 3ifs s SER 303 N 1.32 3.56 0.15 6.66 0.15 0.49 -4.96 113.70 121.08 3ifs s SER 303 Ca 0.35 -1.63 -0.22 0.00 0.70 0.00 0.00 55.95 55.15 3ifs s SER 303 Cb -0.15 0.42 0.06 0.00 -1.71 0.00 0.00 66.02 64.64 3ifs s SER 303 CO 0.08 -0.84 0.56 -0.94 1.20 0.00 0.00 173.24 173.30 3ifs s SER 304 N -3.75 -0.50 -0.06 5.45 1.04 -1.26 -1.52 113.70 113.10 3ifs s SER 304 Ca 0.16 -0.07 -0.22 0.00 0.48 0.00 0.00 55.95 56.30 3ifs s SER 304 Cb 0.03 0.57 0.05 0.00 0.10 0.00 0.00 66.02 66.77 3ifs s SER 304 CO 0.09 -0.94 0.50 0.00 0.98 0.00 0.00 173.24 173.86 3ifs s ALA 305 N -3.75 -1.28 -0.34 5.32 0.00 -0.62 -4.88 121.76 116.21 3ifs s ALA 305 Ca 0.01 0.92 -0.07 0.00 0.00 0.00 0.00 51.96 52.83 3ifs s ALA 305 Cb -0.00 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.05 3ifs s ALA 305 CO -0.13 -0.30 0.11 -0.80 0.00 0.00 0.00 175.76 174.64 3ifs s ASN 306 N -1.02 5.35 0.28 0.00 0.01 -1.26 -2.57 114.94 115.72 3ifs s ASN 306 Ca -0.10 -1.13 0.05 0.00 -0.71 0.00 0.00 52.86 50.96 3ifs s ASN 306 Cb -0.03 -1.88 -0.03 0.00 0.41 0.00 0.00 41.25 39.73 3ifs s ASN 306 CO 0.06 -0.33 0.41 -0.36 -1.51 0.00 0.00 177.10 175.37 3ifs s PHE 307 N 1.41 3.38 -1.63 2.20 0.08 0.25 -0.38 117.98 123.29 3ifs s PHE 307 Ca -0.01 -0.02 0.30 0.00 0.12 0.00 0.00 56.93 57.32 3ifs s PHE 307 Cb -0.19 -1.71 1.63 0.00 -0.57 0.00 0.00 43.02 42.18 3ifs s PHE 307 CO 0.03 0.30 2.09 -1.13 -0.10 0.00 0.00 175.22 176.41 3ifs n SER 308 N -1.51 0.00 -0.29 1.36 3.41 -1.26 -4.19 113.62 111.14 3ifs n SER 308 Ca -0.07 -0.44 -0.05 0.00 -0.26 0.00 0.00 58.87 58.06 3ifs n SER 308 Cb 0.57 -0.18 -0.00 0.00 -0.26 0.00 0.00 64.21 64.34 3ifs n SER 308 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3ifs h THR 309 N 0.00 0.07 0.00 6.66 2.02 -1.93 -0.74 112.91 118.99 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 0.18 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 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 -5.42 0.00 0.11 4.18 8.00 0.49 -1.79 116.55 122.11 3ifs n ASP 310 Ca 0.06 -0.07 0.11 0.00 0.71 0.00 0.00 54.79 55.60 3ifs n ASP 310 Cb 0.36 -0.27 0.46 0.00 -0.02 0.00 0.00 41.12 41.65 3ifs n ASP 310 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3ifs n LEU 311 N -1.27 0.57 -1.23 0.64 4.77 -0.28 0.44 117.00 120.64 3ifs n LEU 311 Ca 0.11 0.63 0.12 0.00 -0.03 0.00 0.00 56.01 56.84 3ifs n LEU 311 Cb 0.17 -0.54 0.26 0.00 -2.33 0.00 0.00 43.42 40.98 3ifs n LEU 311 CO 0.17 -0.47 0.73 1.41 -1.33 0.00 0.00 177.39 177.90 3ifs n HIS 312 N -2.11 0.68 0.05 -1.77 8.25 -0.74 -3.16 115.22 116.41 3ifs n HIS 312 Ca 0.03 -0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.15 3ifs n HIS 312 Cb 0.24 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.35 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 1.54 0.26 -0.27 0.41 3.41 -0.73 -4.89 113.62 113.35 3ifs n SER 313 Ca 0.21 0.16 0.09 0.00 -0.26 0.00 0.00 58.87 59.07 3ifs n SER 313 Cb 0.61 0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.53 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 -3.14 1.45 -0.19 1.04 4.32 0.17 -4.61 117.00 116.04 3ifs n LEU 314 Ca 0.00 -0.67 0.00 0.00 -0.02 0.00 0.00 56.01 55.32 3ifs n LEU 314 Cb 0.13 0.00 0.10 0.00 -1.62 0.00 0.00 43.42 42.03 3ifs n LEU 314 CO 0.00 0.29 0.90 1.23 -1.22 0.00 0.00 177.39 178.59 3ifs h GLY 315 N 4.02 0.71 0.63 -0.72 0.00 -1.31 0.94 103.07 107.33 3ifs h GLY 315 Ca 0.00 -0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.37 3ifs h GLY 315 CO 0.00 -0.13 0.07 -1.61 0.00 0.00 0.00 176.54 174.88 3ifs h GLN 316 N 0.22 0.19 -0.18 4.80 5.75 -1.81 -1.90 115.11 122.18 3ifs h GLN 316 Ca 0.30 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.78 3ifs h GLN 316 Cb 0.45 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.95 3ifs h GLN 316 CO -0.41 0.12 0.07 -0.92 -2.65 0.00 0.00 178.83 175.04 3ifs h TYR 317 N 0.19 0.28 -0.95 3.99 3.20 -1.56 -1.25 116.97 120.87 3ifs h TYR 317 Ca 0.15 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.05 3ifs h TYR 317 Cb 0.16 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.29 3ifs h TYR 317 CO -0.17 0.34 0.62 0.28 -1.64 0.00 0.00 178.16 177.59 3ifs h VAL 318 N 0.13 1.12 -0.07 1.81 2.07 -0.68 0.20 116.25 120.82 3ifs h VAL 318 Ca 0.06 -0.39 -0.23 0.00 0.82 0.00 0.00 66.70 66.95 3ifs h VAL 318 Cb 0.19 -0.13 0.02 0.00 -1.52 0.00 0.00 31.29 29.85 3ifs h VAL 318 CO -0.00 0.21 -0.87 -0.61 0.02 0.00 0.00 177.57 176.32 3ifs h GLN 319 N 1.15 0.72 0.00 1.57 5.75 -1.11 -3.42 115.11 119.77 3ifs h GLN 319 Ca 0.39 -0.67 0.00 0.00 -0.15 0.00 0.00 58.65 58.22 3ifs h GLN 319 Cb 0.10 0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.81 3ifs h GLN 319 CO -0.14 1.27 -0.07 0.39 -2.65 0.00 0.00 178.83 177.64 3ifs n GLU 320 N -3.94 0.84 0.00 1.69 1.02 -0.49 -4.73 120.64 115.04 3ifs n GLU 320 Ca -0.09 -0.95 0.00 0.00 -0.02 0.00 0.00 57.16 56.10 3ifs n GLU 320 Cb 0.79 -0.69 0.00 0.00 -0.02 0.00 0.00 31.44 31.53 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 -0.21 0.51 3.74 0.62 0.00 0.67 -4.98 105.19 105.53 3ifs n GLY 321 Ca 0.01 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 3ifs n GLY 321 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ifs n ARG 322 N 0.00 2.48 -1.92 1.61 5.12 -1.26 -4.88 116.66 117.81 3ifs n ARG 322 Ca 0.00 0.87 -0.37 0.00 -1.93 0.00 0.00 57.85 56.43 3ifs n ARG 322 Cb 0.00 -2.56 -0.01 0.00 -1.16 0.00 0.00 32.46 28.73 3ifs n ARG 322 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3ifs n ARG 323 N 0.70 4.03 -0.17 5.56 5.12 -1.26 -4.35 116.66 126.29 3ifs n ARG 323 Ca 0.03 -3.29 0.05 0.00 -1.93 0.00 0.00 57.85 52.72 3ifs n ARG 323 Cb 0.37 -2.47 0.13 0.00 -1.16 0.00 0.00 32.46 29.34 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 1.22 2.78 -4.59 0.55 8.00 -1.26 -4.83 116.55 118.41 3ifs n ASP 324 Ca 0.57 -2.35 -0.27 0.00 0.71 0.00 0.00 54.79 53.46 3ifs n ASP 324 Cb 0.33 -0.25 -0.09 0.00 -0.02 0.00 0.00 41.12 41.09 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 -1.61 3.06 0.02 0.64 1.43 -1.26 -1.30 118.68 119.66 3ifs s LEU 325 Ca 0.22 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 52.74 3ifs s LEU 325 Cb 0.15 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 3ifs s LEU 325 CO 0.08 0.10 0.05 0.72 0.23 0.00 0.00 176.35 177.52 3ifs s PHE 326 N -1.74 0.22 0.02 0.29 -0.12 -0.64 -4.21 117.98 111.80 3ifs s PHE 326 Ca 0.26 -0.49 0.08 0.00 -0.05 0.00 0.00 56.93 56.73 3ifs s PHE 326 Cb -0.09 -0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 42.11 3ifs s PHE 326 CO 0.16 -0.29 -0.23 -1.21 -0.05 0.00 0.00 175.22 173.61 3ifs s GLU 327 N -2.06 2.02 -0.23 1.99 2.02 -0.11 -4.28 118.70 118.06 3ifs s GLU 327 Ca -0.10 -0.99 0.02 0.00 0.02 0.00 0.00 54.97 53.92 3ifs s GLU 327 Cb -0.05 -2.09 0.05 0.00 0.10 0.00 0.00 34.13 32.15 3ifs s GLU 327 CO -0.02 0.54 -0.10 0.99 0.02 0.00 0.00 175.26 176.69 3ifs s THR 328 N -0.77 1.83 -0.25 3.63 2.01 -1.26 -0.38 115.64 120.44 3ifs s THR 328 Ca 0.12 -1.29 -0.11 0.00 0.31 0.00 0.00 61.69 60.72 3ifs s THR 328 Cb -0.10 -1.95 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 3ifs s THR 328 CO 0.02 0.04 0.17 -0.69 -0.69 0.00 0.00 174.62 173.47 3ifs s VAL 329 N 1.28 5.34 -0.51 3.82 1.01 0.65 -0.40 120.40 131.60 3ifs s VAL 329 Ca -0.05 0.18 -0.25 0.00 0.00 0.00 0.00 61.98 61.87 3ifs s VAL 329 Cb -0.18 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.72 3ifs s VAL 329 CO -0.07 0.31 0.93 -0.76 0.00 0.00 0.00 175.10 175.51 3ifs s LEU 330 N 1.30 4.07 -0.25 3.92 1.43 0.54 -0.27 118.68 129.42 3ifs s LEU 330 Ca 0.07 -0.14 -0.06 0.00 -1.03 0.00 0.00 54.13 52.97 3ifs s LEU 330 Cb -0.14 -2.99 -0.01 0.00 0.03 0.00 0.00 46.19 43.08 3ifs s LEU 330 CO 0.07 -1.14 0.04 -0.75 0.23 0.00 0.00 176.35 174.80 3ifs s LYS 331 N 3.83 3.41 -0.15 1.70 2.47 -0.24 -4.16 119.74 126.60 3ifs s LYS 331 Ca 0.33 -0.63 -0.19 0.00 -1.56 0.00 0.00 55.97 53.92 3ifs s LYS 331 Cb -0.11 -3.23 -0.04 0.00 -1.46 0.00 0.00 37.83 32.99 3ifs s LYS 331 CO 0.22 -0.26 0.53 0.08 0.16 0.00 0.00 175.35 176.09 3ifs s VAL 332 N 1.54 5.12 0.06 4.02 1.01 -1.26 -0.87 120.40 130.02 3ifs s VAL 332 Ca 0.05 1.03 -0.21 0.00 0.00 0.00 0.00 61.98 62.86 3ifs s VAL 332 Cb -0.15 -3.87 -0.12 0.00 0.00 0.00 0.00 36.38 32.24 3ifs s VAL 332 CO 0.01 0.23 1.47 1.23 0.00 0.00 0.00 175.10 178.04 3ifs h GLY 333 N 7.37 0.32 -5.34 4.51 0.00 0.10 -3.44 103.07 106.59 3ifs h GLY 333 Ca -0.37 -0.24 -0.67 0.00 0.00 0.00 0.00 47.33 46.04 3ifs h GLY 333 CO 0.75 0.22 -0.88 1.25 0.00 0.00 0.00 176.54 177.89 3ifs s LYS 334 N -4.88 2.94 0.14 4.80 2.20 -0.15 -5.00 119.74 119.78 3ifs s LYS 334 Ca -0.14 -0.86 -0.30 0.00 -0.36 0.00 0.00 55.97 54.31 3ifs s LYS 334 Cb 0.06 -2.24 -0.07 0.00 -1.51 0.00 0.00 37.83 34.07 3ifs s LYS 334 CO 0.72 0.19 1.01 0.45 -0.36 0.00 0.00 175.35 177.36 3ifs s SER 335 N 0.32 7.43 0.27 1.43 0.15 -1.26 -4.49 113.70 117.55 3ifs s SER 335 Ca -0.18 1.90 -0.01 0.00 0.70 0.00 0.00 55.95 58.36 3ifs s SER 335 Cb -0.18 -2.59 0.46 0.00 -1.71 0.00 0.00 66.02 62.00 3ifs s SER 335 CO 0.08 -0.11 1.86 0.74 1.20 0.00 0.00 173.24 177.02 3ifs h THR 336 N 3.89 1.03 -3.58 6.45 2.02 -1.99 -3.42 112.91 117.30 3ifs h THR 336 Ca -0.43 -0.38 -0.46 0.00 0.77 0.00 0.00 66.41 65.91 3ifs h THR 336 Cb 1.21 -0.18 -0.19 0.00 -1.74 0.00 0.00 68.15 67.25 3ifs h THR 336 CO 0.72 0.20 -0.77 -1.00 0.37 0.00 0.00 175.52 175.04 3ifs s HIS 337 N -6.01 1.54 0.06 3.16 3.76 -1.26 -5.16 115.29 111.38 3ifs s HIS 337 Ca -0.12 -0.51 0.08 0.00 -0.15 0.00 0.00 55.06 54.36 3ifs s HIS 337 Cb 0.21 -0.80 -0.03 0.00 1.11 0.00 0.00 32.58 33.07 3ifs s HIS 337 CO 0.81 0.19 -0.23 -1.21 -0.85 0.00 0.00 174.74 173.46 3ifs s GLU 338 N -2.54 1.44 -0.03 1.40 0.41 -1.26 -4.96 118.70 113.15 3ifs s GLU 338 Ca 0.09 -1.06 0.01 0.00 -0.41 0.00 0.00 54.97 53.60 3ifs s GLU 338 Cb -0.06 -1.63 0.02 0.00 -1.78 0.00 0.00 34.13 30.68 3ifs s GLU 338 CO 0.04 0.41 -0.02 -0.51 -0.49 0.00 0.00 175.26 174.69 3ifs s LEU 339 N -1.41 1.33 -0.15 1.80 1.43 -1.26 -5.05 118.68 115.37 3ifs s LEU 339 Ca 0.09 -0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 53.02 3ifs s LEU 339 Cb -0.09 -0.27 -0.05 0.00 0.03 0.00 0.00 46.19 45.81 3ifs s LEU 339 CO 0.03 -0.07 0.24 -0.89 0.23 0.00 0.00 176.35 175.89 3ifs s THR 340 N 0.82 5.34 0.15 5.49 2.01 -1.26 -1.07 115.64 127.11 3ifs s THR 340 Ca -0.09 0.42 -0.30 0.00 0.31 0.00 0.00 61.69 62.03 3ifs s THR 340 Cb -0.12 -3.56 -0.07 0.00 0.01 0.00 0.00 72.50 68.76 3ifs s THR 340 CO -0.01 0.45 1.14 -0.63 -0.69 0.00 0.00 174.62 174.88 3ifs s ILE 341 N 0.11 3.89 0.13 1.82 1.01 0.31 -4.93 121.20 123.53 3ifs s ILE 341 Ca 0.14 1.54 0.06 0.00 0.00 0.00 0.00 60.65 62.40 3ifs s ILE 341 Cb -0.13 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 3ifs s ILE 341 CO 0.03 0.22 -0.02 -1.61 0.00 0.00 0.00 174.94 173.56 3ifs s GLU 342 N 0.02 2.40 0.57 2.79 2.02 -1.26 -0.78 118.70 124.46 3ifs s GLU 342 Ca 0.52 -0.98 -0.16 0.00 0.02 0.00 0.00 54.97 54.37 3ifs s GLU 342 Cb -0.30 -2.42 -0.05 0.00 0.10 0.00 0.00 34.13 31.47 3ifs s GLU 342 CO 0.34 0.50 1.04 -1.54 0.02 0.00 0.00 175.26 175.62 3ifs s SER 343 N -2.54 6.00 0.01 -0.19 1.04 -1.26 -4.83 113.70 111.92 3ifs s SER 343 Ca 0.25 1.76 0.04 0.00 0.48 0.00 0.00 55.95 58.49 3ifs s SER 343 Cb -0.11 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.45 3ifs s SER 343 CO 0.17 -1.02 -0.09 -1.61 0.98 0.00 0.00 173.24 171.67 3ifs s GLU 344 N -4.04 2.46 0.16 4.02 0.41 -1.26 -5.03 118.70 115.42 3ifs s GLU 344 Ca 0.63 -0.77 -0.18 0.00 -0.41 0.00 0.00 54.97 54.24 3ifs s GLU 344 Cb -0.15 -2.44 0.08 0.00 -1.78 0.00 0.00 34.13 29.85 3ifs s GLU 344 CO 0.35 0.59 1.66 0.93 -0.49 0.00 0.00 175.26 178.31 3ifs h GLU 345 N 4.58 -0.03 -5.12 1.61 5.08 -2.06 -3.36 114.58 115.28 3ifs h GLU 345 Ca -0.48 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.24 3ifs h GLU 345 Cb 1.16 0.01 -0.21 0.00 0.50 0.00 0.00 28.75 30.21 3ifs h GLU 345 CO 0.52 -0.02 -0.63 -0.80 -1.00 0.00 0.00 179.01 177.08 3ifs s ASN 346 N -5.19 5.06 -0.62 1.42 0.01 -1.26 -5.01 114.94 109.35 3ifs s ASN 346 Ca -0.14 -0.14 -0.03 0.00 -0.71 0.00 0.00 52.86 51.84 3ifs s ASN 346 Cb 0.14 -1.87 0.19 0.00 0.41 0.00 0.00 41.25 40.12 3ifs s ASN 346 CO 0.70 0.07 2.44 -0.67 -1.51 0.00 0.00 177.10 178.13 3ifs n ASP 347 N 4.22 6.94 -0.32 -1.22 2.03 -1.26 -4.71 116.55 122.22 3ifs n ASP 347 Ca -0.17 -3.48 0.06 0.00 0.52 0.00 0.00 54.79 51.72 3ifs n ASP 347 Cb 0.52 -1.16 0.25 0.00 -0.72 0.00 0.00 41.12 40.01 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 3.49 0.89 -0.22 -2.67 3.38 -1.94 -1.42 115.31 116.81 3ifs h LEU 348 Ca 0.47 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.46 3ifs h LEU 348 Cb 0.43 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3ifs h LEU 348 CO 1.12 0.53 -0.05 -0.90 0.09 0.00 0.00 178.44 179.23 3ifs n ASP 349 N -4.54 0.40 -1.62 -0.43 5.68 -1.26 -4.94 116.55 109.84 3ifs n ASP 349 Ca 0.16 -0.72 -0.14 0.00 -0.50 0.00 0.00 54.79 53.58 3ifs n ASP 349 Cb 0.28 -0.08 -0.01 0.00 -1.14 0.00 0.00 41.12 40.18 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 1.20 -0.18 0.59 6.12 0.00 -0.54 -4.93 105.19 107.45 3ifs n GLY 350 Ca 0.17 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.05 2.22 0.19 0.99 4.77 -1.26 -4.56 117.00 117.29 3ifs n LEU 351 Ca -0.17 -0.98 0.17 0.00 -0.03 0.00 0.00 56.01 55.00 3ifs n LEU 351 Cb 0.63 0.00 0.80 0.00 -2.33 0.00 0.00 43.42 42.52 3ifs n LEU 351 CO 0.20 0.40 1.15 0.78 -1.33 0.00 0.00 177.39 178.59 3ifs h ASN 352 N 2.91 0.00 0.21 -1.43 2.35 -1.91 0.42 115.58 118.13 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 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 3ifs h ASN 352 CO 0.00 0.00 0.00 0.10 -1.65 0.00 0.00 177.43 175.88 3ifs h TYR 353 N 0.00 0.00 -0.07 1.19 -0.00 -2.00 0.08 116.97 116.16 3ifs h TYR 353 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.83 3ifs h TYR 353 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.26 3ifs h TYR 353 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 3ifs n LEU 354 N -2.85 1.74 -4.68 0.10 4.77 0.14 -4.94 117.00 111.28 3ifs n LEU 354 Ca -0.02 -0.63 -0.46 0.00 -0.03 0.00 0.00 56.01 54.87 3ifs n LEU 354 Cb 0.11 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 3ifs n LEU 354 CO 0.19 0.32 1.40 0.00 -1.33 0.00 0.00 177.39 177.97 3ifs n ALA 355 N 0.36 1.45 0.00 -1.18 0.00 0.01 -1.28 120.51 119.87 3ifs n ALA 355 Ca 0.18 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3ifs n ALA 355 Cb 0.38 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.33 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 4.06 2.98 3.91 0.00 0.00 0.04 -4.98 105.19 111.20 3ifs n GLY 356 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 3ifs n GLY 356 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ifs s GLU 357 N -0.98 2.75 0.34 1.61 0.41 -0.40 -4.77 118.70 117.66 3ifs s GLU 357 Ca 0.00 0.11 0.04 0.00 -0.41 0.00 0.00 54.97 54.70 3ifs s GLU 357 Cb 0.00 -2.16 -0.02 0.00 -1.78 0.00 0.00 34.13 30.17 3ifs s GLU 357 CO 0.00 -0.92 0.51 0.95 -0.49 0.00 0.00 175.26 175.30 3ifs s THR 358 N -3.17 4.52 0.33 3.63 -4.23 -1.26 -0.53 115.64 114.94 3ifs s THR 358 Ca 0.56 -0.78 0.05 0.00 -1.18 0.00 0.00 61.69 60.35 3ifs s THR 358 Cb -0.11 -3.62 0.12 0.00 1.34 0.00 0.00 72.50 70.24 3ifs s THR 358 CO 0.47 -0.31 1.83 0.58 -0.54 0.00 0.00 174.62 176.65 3ifs h VAL 359 N 0.81 1.22 -0.07 2.29 2.07 -1.47 -2.51 116.25 118.60 3ifs h VAL 359 Ca -0.48 -0.98 -0.08 0.00 0.82 0.00 0.00 66.70 65.98 3ifs h VAL 359 Cb 1.24 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 3ifs h VAL 359 CO 0.57 0.32 -0.34 -0.78 0.02 0.00 0.00 177.57 177.36 3ifs h ASP 360 N 0.38 0.13 -0.65 0.57 3.58 -1.93 -1.42 116.42 117.08 3ifs h ASP 360 Ca 0.07 -0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.48 3ifs h ASP 360 Cb 0.48 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.46 3ifs h ASP 360 CO 0.03 0.47 0.43 0.15 -2.88 0.00 0.00 179.24 177.44 3ifs h PHE 361 N 0.12 0.83 -0.38 0.28 3.57 -1.84 -0.34 116.94 119.18 3ifs h PHE 361 Ca 0.01 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3ifs h PHE 361 Cb 0.66 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 3ifs h PHE 361 CO 0.01 0.53 0.10 0.28 -2.23 0.00 0.00 178.31 176.99 3ifs h VAL 362 N 0.89 1.22 -0.80 1.41 2.07 -1.17 -1.37 116.25 118.50 3ifs h VAL 362 Ca 0.24 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 3ifs h VAL 362 Cb -0.09 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 3ifs h VAL 362 CO -0.05 0.26 0.50 -1.13 0.02 0.00 0.00 177.57 177.16 3ifs h ASN 363 N 0.46 0.94 -0.42 0.57 -1.24 -1.04 0.03 115.58 114.88 3ifs h ASN 363 Ca 0.12 -0.04 -0.06 0.00 0.71 0.00 0.00 56.30 57.03 3ifs h ASN 363 Cb 0.29 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.09 3ifs h ASN 363 CO -0.00 0.71 0.02 0.74 -1.29 0.00 0.00 177.43 177.61 3ifs h THR 364 N 1.09 1.26 -0.07 -3.57 2.02 -0.75 -1.30 112.91 111.60 3ifs h THR 364 Ca 0.29 -0.98 -0.11 0.00 0.77 0.00 0.00 66.41 66.38 3ifs h THR 364 Cb -0.07 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3ifs h THR 364 CO -0.06 0.33 -0.46 0.11 0.37 0.00 0.00 175.52 175.81 3ifs h LYS 365 N 0.56 0.18 -0.25 6.66 1.79 -0.65 -1.12 116.57 123.75 3ifs h LYS 365 Ca 0.12 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 3ifs h LYS 365 Cb 0.45 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 3ifs h LYS 365 CO 0.02 0.61 0.07 0.00 -1.08 0.00 0.00 179.45 179.06 3ifs h ALA 366 N 1.38 0.33 -0.10 3.86 0.00 -0.84 -0.54 119.26 123.34 3ifs h ALA 366 Ca 0.01 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.79 3ifs h ALA 366 Cb 0.88 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3ifs h ALA 366 CO 0.07 -0.03 -0.06 -0.92 0.00 0.00 0.00 179.25 178.31 3ifs h TYR 367 N 0.23 -0.15 -0.32 0.00 5.03 -0.84 -0.90 116.97 120.02 3ifs h TYR 367 Ca 0.08 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.38 3ifs h TYR 367 Cb 0.27 0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.61 3ifs h TYR 367 CO 0.01 -0.10 0.11 0.93 -1.32 0.00 0.00 178.16 177.79 3ifs h GLU 368 N -0.06 0.49 -0.73 1.82 5.08 -1.15 -1.50 114.58 118.53 3ifs h GLU 368 Ca 0.06 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3ifs h GLU 368 Cb 0.15 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3ifs h GLU 368 CO -0.14 0.52 0.22 0.78 -1.00 0.00 0.00 179.01 179.38 3ifs h GLY 369 N 0.36 1.23 1.19 -3.84 0.00 -1.05 -2.48 103.07 98.48 3ifs h GLY 369 Ca 0.10 -0.74 -0.13 0.00 0.00 0.00 0.00 47.33 46.57 3ifs h GLY 369 CO -0.00 0.69 -0.21 -0.84 0.00 0.00 0.00 176.54 176.17 3ifs h THR 370 N 1.09 1.27 -0.60 4.70 2.02 -1.06 -1.44 112.91 118.88 3ifs h THR 370 Ca 0.23 -1.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.04 3ifs h THR 370 Cb 0.32 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 3ifs h THR 370 CO -0.01 0.47 0.32 0.25 0.37 0.00 0.00 175.52 176.92 3ifs h LEU 371 N 0.80 0.76 -0.33 2.58 6.46 -1.13 0.14 115.31 124.60 3ifs h LEU 371 Ca 0.11 -0.10 -0.09 0.00 -0.12 0.00 0.00 57.88 57.67 3ifs h LEU 371 Cb 0.77 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 3ifs h LEU 371 CO 0.06 0.64 -0.16 -0.07 -0.62 0.00 0.00 178.44 178.30 3ifs h LEU 372 N 0.81 0.70 0.09 2.25 3.38 -1.38 -1.31 115.31 119.86 3ifs h LEU 372 Ca 0.21 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3ifs h LEU 372 Cb 0.06 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3ifs h LEU 372 CO -0.03 0.95 -0.07 0.00 0.09 0.00 0.00 178.44 179.38 3ifs h ALA 373 N 0.77 -0.16 -0.66 1.53 0.00 -0.96 -0.72 119.26 119.06 3ifs h ALA 373 Ca 0.07 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3ifs h ALA 373 Cb 0.69 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3ifs h ALA 373 CO 0.05 -0.60 0.43 0.45 0.00 0.00 0.00 179.25 179.58 3ifs h HIS 374 N -0.17 0.80 -0.66 0.00 3.86 -0.70 -0.76 115.15 117.52 3ifs h HIS 374 Ca -0.00 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.26 3ifs h HIS 374 Cb 0.16 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.32 3ifs h HIS 374 CO -0.09 0.48 0.41 0.77 0.86 0.00 0.00 177.93 180.35 3ifs h SER 375 N 0.85 0.66 0.56 2.45 0.02 -1.10 -0.81 113.55 116.19 3ifs h SER 375 Ca 0.26 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 3ifs h SER 375 Cb -0.04 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 3ifs h SER 375 CO -0.08 0.46 -0.10 0.44 -1.14 0.00 0.00 176.83 176.40 3ifs h ASP 376 N 0.79 0.00 -0.09 3.07 3.32 -0.36 -2.41 116.42 120.75 3ifs h ASP 376 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3ifs h ASP 376 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3ifs h ASP 376 CO -0.11 0.10 0.00 0.61 -1.72 0.00 0.00 179.24 178.12 3ifs n GLY 377 N -0.43 -0.04 0.21 2.75 0.00 -0.36 -4.92 105.19 102.40 3ifs n GLY 377 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 1.10 0.94 3.33 -0.02 0.00 -0.91 -4.84 105.19 104.79 3ifs n GLY 378 Ca 0.17 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 4.24 0.25 1.61 1.01 -0.39 -4.92 120.40 120.21 3ifs s VAL 379 Ca 0.00 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 3ifs s VAL 379 Cb 0.00 -3.39 -0.11 0.00 0.00 0.00 0.00 36.38 32.88 3ifs s VAL 379 CO 0.00 -0.23 1.57 -2.84 0.00 0.00 0.00 175.10 173.61 3ifs s PRO 380 N 1.49 4.17 -0.20 2.72 0.02 -1.26 -3.50 135.00 138.44 3ifs s PRO 380 Ca 0.00 2.49 -0.02 0.00 0.02 0.00 0.00 61.00 63.50 3ifs s PRO 380 Cb -0.19 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.26 3ifs s PRO 380 CO 0.05 -0.60 -0.12 -0.80 -0.33 0.00 0.00 177.00 175.21 3ifs s ASN 381 N 0.65 3.77 0.07 2.53 0.01 -1.26 -0.93 114.94 119.78 3ifs s ASN 381 Ca 0.65 -0.50 0.02 0.00 -0.71 0.00 0.00 52.86 52.32 3ifs s ASN 381 Cb -0.46 -1.62 -0.04 0.00 0.41 0.00 0.00 41.25 39.54 3ifs s ASN 381 CO 0.42 -0.00 0.11 -0.76 -1.51 0.00 0.00 177.10 175.35 3ifs s LEU 382 N 1.35 3.93 -0.09 0.60 1.43 0.49 -3.98 118.68 122.42 3ifs s LEU 382 Ca 0.05 0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 3ifs s LEU 382 Cb -0.14 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.53 3ifs s LEU 382 CO -0.07 0.18 -0.15 -0.63 0.23 0.00 0.00 176.35 175.91 3ifs s ILE 383 N -1.39 1.40 -0.36 -0.59 1.01 -0.43 -0.25 121.20 120.59 3ifs s ILE 383 Ca 0.30 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 3ifs s ILE 383 Cb -0.12 -1.26 0.07 0.00 0.01 0.00 0.00 42.46 41.15 3ifs s ILE 383 CO 0.22 0.42 0.12 -0.69 0.00 0.00 0.00 174.94 175.01 3ifs s VAL 384 N 0.74 3.38 -0.27 2.92 1.01 0.62 -0.64 120.40 128.16 3ifs s VAL 384 Ca -0.12 -1.55 -0.25 0.00 0.00 0.00 0.00 61.98 60.06 3ifs s VAL 384 Cb -0.16 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3ifs s VAL 384 CO 0.03 -0.35 0.85 0.20 0.00 0.00 0.00 175.10 175.83 3ifs s ASN 385 N 1.56 6.79 -0.25 3.32 0.01 -0.26 -1.08 114.94 125.04 3ifs s ASN 385 Ca 0.01 0.91 -0.04 0.00 -0.71 0.00 0.00 52.86 53.03 3ifs s ASN 385 Cb -0.21 -2.44 0.01 0.00 0.41 0.00 0.00 41.25 39.01 3ifs s ASN 385 CO -0.01 -0.60 -0.01 -0.63 -1.51 0.00 0.00 177.10 174.33 3ifs s ILE 386 N 3.00 3.41 0.20 0.60 1.01 -0.05 -2.42 121.20 126.95 3ifs s ILE 386 Ca 0.36 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 60.20 3ifs s ILE 386 Cb -0.14 -2.66 0.13 0.00 0.01 0.00 0.00 42.46 39.79 3ifs s ILE 386 CO 0.10 0.26 1.84 1.55 0.00 0.00 0.00 174.94 178.69 3ifs h PRO 387 N 8.12 0.79 -2.38 2.79 0.13 -1.84 0.51 132.00 140.11 3ifs h PRO 387 Ca -0.36 -0.05 0.14 0.00 -0.87 0.00 0.00 66.00 64.86 3ifs h PRO 387 Cb 1.14 -0.18 -0.11 0.00 0.13 0.00 0.00 31.00 31.98 3ifs h PRO 387 CO 0.59 0.52 0.46 -1.83 -0.23 0.00 0.00 178.00 177.52 3ifs s GLU 388 N -6.12 1.09 -0.61 0.86 -1.05 -1.26 -0.98 118.70 110.63 3ifs s GLU 388 Ca -0.13 -0.54 -0.19 0.00 -0.15 0.00 0.00 54.97 53.96 3ifs s GLU 388 Cb 0.15 0.41 0.10 0.00 -0.44 0.00 0.00 34.13 34.36 3ifs s GLU 388 CO 0.76 -0.49 0.73 -0.51 0.95 0.00 0.00 175.26 176.70 3ifs s LEU 389 N -2.77 5.34 0.25 1.83 1.43 -1.26 -4.78 118.68 118.72 3ifs s LEU 389 Ca 0.09 -1.44 -0.05 0.00 -1.03 0.00 0.00 54.13 51.69 3ifs s LEU 389 Cb -0.01 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.88 3ifs s LEU 389 CO -0.02 -1.13 0.35 0.54 0.23 0.00 0.00 176.35 176.31 3ifs s ASN 390 N 3.61 0.29 0.21 2.29 2.20 -1.26 -4.95 114.94 117.35 3ifs s ASN 390 Ca 0.13 -1.25 -0.09 0.00 -0.94 0.00 0.00 52.86 50.71 3ifs s ASN 390 Cb -0.23 0.53 0.23 0.00 -2.00 0.00 0.00 41.25 39.78 3ifs s ASN 390 CO 0.06 -1.06 1.84 -0.33 -2.94 0.00 0.00 177.10 174.66 3ifs h GLU 391 N 2.35 0.81 -0.06 3.55 3.07 -1.93 -0.96 114.58 121.40 3ifs h GLU 391 Ca -0.30 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 58.53 3ifs h GLU 391 Cb 1.25 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.96 3ifs h GLU 391 CO 0.42 0.53 -0.02 -0.92 -1.40 0.00 0.00 179.01 177.62 3ifs h TYR 392 N 0.83 -0.05 -0.52 4.33 5.03 -1.89 -1.71 116.97 122.99 3ifs h TYR 392 Ca 0.30 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.57 3ifs h TYR 392 Cb 0.09 0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.38 3ifs h TYR 392 CO -0.05 -0.04 0.10 1.15 -1.32 0.00 0.00 178.16 178.01 3ifs h THR 393 N -0.01 1.23 -0.31 1.81 2.02 -1.79 -1.75 112.91 114.10 3ifs h THR 393 Ca 0.03 -0.84 0.01 0.00 0.77 0.00 0.00 66.41 66.39 3ifs h THR 393 Cb 0.06 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3ifs h THR 393 CO -0.07 0.31 0.18 0.15 0.37 0.00 0.00 175.52 176.46 3ifs h PHE 394 N 0.77 0.34 -0.54 3.16 3.04 -0.84 0.64 116.94 123.51 3ifs h PHE 394 Ca 0.17 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.13 3ifs h PHE 394 Cb 0.32 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.69 3ifs h PHE 394 CO 0.02 0.20 0.35 0.78 -2.02 0.00 0.00 178.31 177.64 3ifs h GLY 395 N 0.38 0.76 0.90 2.40 0.00 -0.89 -0.95 103.07 105.67 3ifs h GLY 395 Ca 0.12 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 3ifs h GLY 395 CO -0.06 0.28 0.05 -1.82 0.00 0.00 0.00 176.54 175.00 3ifs h TYR 396 N 0.73 0.58 -0.54 5.60 5.03 -1.08 -2.48 116.97 124.81 3ifs h TYR 396 Ca 0.20 -0.08 -0.07 0.00 2.58 0.00 0.00 58.73 61.35 3ifs h TYR 396 Cb -0.07 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.03 3ifs h TYR 396 CO -0.03 0.61 0.03 1.25 -1.32 0.00 0.00 178.16 178.70 3ifs h LEU 397 N 0.37 0.85 -0.63 2.82 5.85 -0.70 -0.68 115.31 123.20 3ifs h LEU 397 Ca 0.10 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 3ifs h LEU 397 Cb 0.35 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3ifs h LEU 397 CO 0.01 0.90 0.27 0.58 -0.34 0.00 0.00 178.44 179.85 3ifs h VAL 398 N 0.83 1.23 -0.35 1.05 2.07 -1.12 -2.21 116.25 117.76 3ifs h VAL 398 Ca 0.16 -0.70 -0.15 0.00 0.82 0.00 0.00 66.70 66.83 3ifs h VAL 398 Cb 0.45 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3ifs h VAL 398 CO 0.02 0.28 -0.38 0.22 0.02 0.00 0.00 177.57 177.72 3ifs h TYR 399 N 0.88 1.00 -0.17 1.57 5.03 -1.07 -0.25 116.97 123.96 3ifs h TYR 399 Ca 0.21 -0.29 0.05 0.00 2.58 0.00 0.00 58.73 61.28 3ifs h TYR 399 Cb 0.18 -0.21 -0.05 0.00 1.55 0.00 0.00 36.73 38.20 3ifs h TYR 399 CO 0.01 1.08 -0.16 0.35 -1.32 0.00 0.00 178.16 178.12 3ifs h PHE 400 N 0.68 -0.42 -0.34 -3.82 3.57 -0.93 -1.30 116.94 114.39 3ifs h PHE 400 Ca 0.06 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.46 3ifs h PHE 400 Cb 0.95 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 3ifs h PHE 400 CO 0.05 -0.24 -0.30 0.74 -2.23 0.00 0.00 178.31 176.34 3ifs h PHE 401 N -0.19 0.82 -0.11 0.41 0.04 -1.21 -1.53 116.94 115.18 3ifs h PHE 401 Ca 0.11 -0.21 -0.00 0.00 2.80 0.00 0.00 57.97 60.67 3ifs h PHE 401 Cb 0.35 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3ifs h PHE 401 CO -0.30 0.92 0.06 0.93 -0.60 0.00 0.00 178.31 179.33 3ifs h GLU 402 N 0.61 0.15 -0.41 1.51 5.08 -0.74 0.43 114.58 121.21 3ifs h GLU 402 Ca 0.07 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 3ifs h GLU 402 Cb 0.81 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 3ifs h GLU 402 CO 0.07 0.18 -0.19 -0.22 -1.00 0.00 0.00 179.01 177.85 3ifs h LYS 403 N 0.09 0.80 -0.46 2.33 1.63 -1.25 -1.12 116.57 118.59 3ifs h LYS 403 Ca 0.04 -0.30 -0.08 0.00 -0.85 0.00 0.00 60.65 59.45 3ifs h LYS 403 Cb 0.07 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 3ifs h LYS 403 CO -0.01 0.92 -0.05 0.00 -3.45 0.00 0.00 179.45 176.87 3ifs h ALA 404 N 1.09 1.05 -0.44 5.00 0.00 -1.15 -3.00 119.26 121.80 3ifs h ALA 404 Ca 0.10 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3ifs h ALA 404 Cb 0.69 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3ifs h ALA 404 CO 0.05 0.59 -0.07 0.00 0.00 0.00 0.00 179.25 179.82 3ifs n ALA 406 N -2.45 1.09 0.00 0.00 0.00 -0.47 -1.07 120.51 117.61 3ifs n ALA 406 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ifs n ALA 406 Cb 0.35 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 0.11 0.00 -0.21 0.00 2.88 0.37 -2.34 113.62 114.42 3ifs n SER 408 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 3ifs n SER 408 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 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 0.92 1.00 0.46 0.00 -1.35 -1.15 103.07 102.95 3ifs h GLY 409 Ca 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 3ifs h GLY 409 CO 0.00 0.43 0.21 -0.97 0.00 0.00 0.00 176.54 176.20 3ifs h TYR 410 N 0.81 0.93 -0.14 5.60 0.05 -1.67 -2.37 116.97 120.19 3ifs h TYR 410 Ca 0.21 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.84 3ifs h TYR 410 Cb 0.11 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.56 3ifs h TYR 410 CO -0.00 0.76 -0.19 -0.07 -1.05 0.00 0.00 178.16 177.61 3ifs h LEU 411 N 0.83 0.22 -1.29 3.88 3.38 -1.79 -1.52 115.31 119.02 3ifs h LEU 411 Ca 0.19 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 3ifs h LEU 411 Cb 0.25 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3ifs h LEU 411 CO -0.01 0.43 -0.27 0.25 0.09 0.00 0.00 178.44 178.93 3ifs h LEU 412 N 0.22 0.00 -0.02 1.67 5.85 -0.95 -3.47 115.31 118.61 3ifs h LEU 412 Ca 0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3ifs h LEU 412 Cb 0.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3ifs h LEU 412 CO 0.03 0.27 0.00 0.61 -0.34 0.00 0.00 178.44 179.01 3ifs n GLY 413 N -0.14 1.47 3.65 3.75 0.00 -0.57 -5.08 105.19 108.27 3ifs n GLY 413 Ca -0.01 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.02 1.29 -0.45 1.61 -7.23 -1.00 -5.05 120.40 107.54 3ifs s VAL 414 Ca 0.00 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 57.94 3ifs s VAL 414 Cb 0.00 -2.48 0.03 0.00 0.56 0.00 0.00 36.38 34.48 3ifs s VAL 414 CO 0.00 0.00 0.79 0.21 -0.31 0.00 0.00 175.10 175.79 3ifs s ASN 415 N -3.74 6.41 0.04 4.85 3.84 -1.26 -4.37 114.94 120.71 3ifs s ASN 415 Ca 0.20 -0.11 0.23 0.00 0.21 0.00 0.00 52.86 53.39 3ifs s ASN 415 Cb 0.05 -2.39 0.94 0.00 -0.55 0.00 0.00 41.25 39.30 3ifs s ASN 415 CO 0.10 -0.92 1.72 -2.65 -2.79 0.00 0.00 177.10 172.56 3ifs n PRO 416 N 6.73 0.04 -0.07 0.43 -0.02 -1.26 -3.94 135.00 136.91 3ifs n PRO 416 Ca 0.02 0.15 0.06 0.00 -2.02 0.00 0.00 63.50 61.71 3ifs n PRO 416 Cb 0.48 -1.56 0.09 0.00 -0.02 0.00 0.00 33.50 32.49 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 -1.64 0.20 -3.72 6.00 3.72 -1.26 -4.32 117.46 116.43 3ifs n PHE 417 Ca 0.05 -0.20 -0.25 0.00 -0.05 0.00 0.00 57.45 57.00 3ifs n PHE 417 Cb 0.28 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 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 -0.99 4.73 -0.44 4.37 -4.77 -1.25 -4.96 116.67 113.36 3ifs s ASP 418 Ca 0.18 -1.14 0.07 0.00 -3.30 0.00 0.00 52.55 48.36 3ifs s ASP 418 Cb 0.11 0.32 0.31 0.00 -1.09 0.00 0.00 42.92 42.57 3ifs s ASP 418 CO 0.15 -1.11 1.00 0.00 0.70 0.00 0.00 175.17 175.92 3ifs n GLN 419 N -1.82 0.97 0.27 2.11 0.00 -1.26 -4.74 117.38 112.91 3ifs n GLN 419 Ca 0.02 -2.23 0.13 0.00 0.00 0.00 0.00 57.00 54.92 3ifs n GLN 419 Cb 0.64 -1.22 0.75 0.00 0.00 0.00 0.00 30.24 30.41 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 3.15 0.00 0.00 2.61 0.13 -1.98 -3.09 132.00 132.82 3ifs h PRO 420 Ca -0.06 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 3ifs h PRO 420 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 3ifs h PRO 420 CO 0.23 0.11 -0.11 0.78 -0.23 0.00 0.00 178.00 178.78 3ifs h GLY 421 N 0.86 0.00 2.00 1.56 0.00 -1.94 -3.02 103.07 102.53 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 -3.40 0.69 0.18 4.60 0.24 -1.17 -3.40 118.33 116.08 3ifs n VAL 422 Ca -0.01 0.02 0.02 0.00 -2.04 0.00 0.00 64.34 62.33 3ifs n VAL 422 Cb 0.29 -0.88 0.34 0.00 -1.47 0.00 0.00 33.84 32.12 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 0.14 7.34 4.39 -1.76 -3.14 114.58 121.56 3ifs h GLU 423 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3ifs h GLU 423 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3ifs h GLU 423 CO 0.00 0.40 -0.07 0.00 -1.16 0.00 0.00 179.01 178.18 3ifs h ALA 424 N 1.60 -0.19 -0.38 3.43 0.00 -1.78 -0.61 119.26 121.33 3ifs h ALA 424 Ca -0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3ifs h ALA 424 Cb 0.71 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3ifs h ALA 424 CO 0.05 -0.57 -0.23 0.10 0.00 0.00 0.00 179.25 178.60 3ifs h TYR 425 N -0.28 0.85 -0.39 0.00 -0.00 -1.79 -2.61 116.97 112.75 3ifs h TYR 425 Ca -0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 58.73 58.51 3ifs h TYR 425 Cb 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 36.73 36.73 3ifs h TYR 425 CO -0.04 0.91 0.23 0.87 -0.00 0.00 0.00 178.16 180.13 3ifs h LYS 426 N 0.65 0.52 -0.15 0.10 1.57 -1.46 -2.93 116.57 114.88 3ifs h LYS 426 Ca 0.09 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3ifs h LYS 426 Cb 0.74 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 3ifs h LYS 426 CO 0.06 0.39 0.08 -0.22 -0.57 0.00 0.00 179.45 179.19 3ifs h LYS 427 N 0.51 0.21 -0.62 3.15 3.64 -1.05 -0.10 116.57 122.31 3ifs h LYS 427 Ca 0.14 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3ifs h LYS 427 Cb 0.00 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3ifs h LYS 427 CO -0.03 0.22 0.00 0.09 -2.27 0.00 0.00 179.45 177.46 3ifs n ASN 428 N -4.93 0.02 0.00 4.20 3.02 -0.99 -1.55 115.26 115.03 3ifs n ASN 428 Ca -0.05 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 3ifs n ASN 428 Cb 0.07 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 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 0.65 0.00 -0.02 3.10 3.72 -0.05 -1.29 117.46 123.57 3ifs n PHE 430 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 3ifs n PHE 430 Cb 0.00 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.51 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 0.11 0.00 4.37 0.00 -1.54 -0.36 119.26 121.85 3ifs h ALA 431 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3ifs h ALA 431 Cb 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ifs h ALA 431 CO 0.00 -0.46 -0.13 -0.07 0.00 0.00 0.00 179.25 178.58 3ifs h LEU 432 N 0.03 0.00 -0.42 0.00 3.38 -1.46 -1.90 115.31 114.95 3ifs h LEU 432 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3ifs h LEU 432 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3ifs h LEU 432 CO -0.13 0.13 0.00 -0.07 0.09 0.00 0.00 178.44 178.46 3ifs h LEU 433 N 0.00 0.00 0.00 1.67 3.38 -1.70 -3.47 115.31 115.19 3ifs h LEU 433 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ifs h LEU 433 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3ifs h LEU 433 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 3ifs n GLY 434 N 0.79 1.54 3.75 0.83 0.00 -0.71 -5.06 105.19 106.33 3ifs n GLY 434 Ca 0.03 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 3ifs n GLY 434 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ifs s LYS 435 N -1.73 4.35 -0.20 1.61 2.20 -0.19 -4.91 119.74 120.88 3ifs s LYS 435 Ca 0.00 2.17 -0.39 0.00 -0.36 0.00 0.00 55.97 57.39 3ifs s LYS 435 Cb 0.00 -3.13 -0.15 0.00 -1.51 0.00 0.00 37.83 33.04 3ifs s LYS 435 CO 0.00 -0.27 1.72 -2.30 -0.36 0.00 0.00 175.35 174.14 3ifs n PRO 436 N 1.98 1.34 -0.30 4.03 -0.02 -1.26 -1.82 135.00 138.95 3ifs n PRO 436 Ca 0.04 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3ifs n PRO 436 Cb 0.42 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 4.02 0.69 0.49 -1.23 0.00 -1.26 -4.95 105.19 102.95 3ifs n GLY 437 Ca 0.25 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.07 0.46 -0.23 1.61 3.01 -0.75 -4.80 117.46 114.69 3ifs n PHE 438 Ca 0.00 -0.84 -0.01 0.00 1.01 0.00 0.00 57.45 57.62 3ifs n PHE 438 Cb 0.00 -0.20 0.11 0.00 -0.01 0.00 0.00 39.48 39.38 3ifs n PHE 438 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3ifs h GLU 439 N 1.02 0.62 0.57 -1.08 3.07 -1.90 -1.46 114.58 115.41 3ifs h GLU 439 Ca 0.00 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.80 3ifs h GLU 439 Cb 1.11 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.86 3ifs h GLU 439 CO 0.10 0.41 -0.49 1.49 -1.40 0.00 0.00 179.01 179.12 3ifs h GLU 440 N 0.64 -1.00 -0.79 2.33 4.81 -1.98 -1.84 114.58 116.75 3ifs h GLU 440 Ca 0.31 0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.72 3ifs h GLU 440 Cb 0.26 0.23 -0.08 0.00 0.63 0.00 0.00 28.75 29.79 3ifs h GLU 440 CO -0.22 -0.67 0.42 1.25 -0.73 0.00 0.00 179.01 179.07 3ifs h LEU 441 N -1.04 0.56 -0.71 1.64 5.85 -1.90 -1.64 115.31 118.07 3ifs h LEU 441 Ca -0.07 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.81 3ifs h LEU 441 Cb 0.88 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.80 3ifs h LEU 441 CO -0.01 0.30 0.35 0.50 -0.34 0.00 0.00 178.44 179.24 3ifs h LYS 442 N 0.68 0.57 -0.17 1.25 3.64 -0.92 -2.11 116.57 119.52 3ifs h LYS 442 Ca 0.40 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.78 3ifs h LYS 442 Cb 0.43 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 3ifs h LYS 442 CO -0.28 0.38 -0.10 0.00 -2.27 0.00 0.00 179.45 177.17 3ifs h ALA 443 N 1.44 0.03 -0.27 5.00 0.00 -0.45 -2.09 119.26 122.92 3ifs h ALA 443 Ca 0.35 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.25 3ifs h ALA 443 Cb 0.39 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3ifs h ALA 443 CO -0.28 -0.54 -0.16 1.49 0.00 0.00 0.00 179.25 179.77 3ifs h GLU 444 N -0.10 0.58 -0.58 0.00 4.81 -1.44 -3.09 114.58 114.77 3ifs h GLU 444 Ca 0.10 -0.27 0.08 0.00 -0.13 0.00 0.00 59.36 59.14 3ifs h GLU 444 Cb 0.24 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.55 3ifs h GLU 444 CO -0.23 0.84 0.24 -0.07 -0.73 0.00 0.00 179.01 179.06 3ifs h LEU 445 N 0.32 0.27 -0.96 1.64 3.38 -1.27 -1.18 115.31 117.51 3ifs h LEU 445 Ca 0.06 0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.20 3ifs h LEU 445 Cb 0.68 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.38 3ifs h LEU 445 CO 0.04 0.18 0.59 -0.33 0.09 0.00 0.00 178.44 179.01 3ifs h GLU 446 N 0.44 0.93 -0.54 1.13 4.39 -1.37 -0.14 114.58 119.42 3ifs h GLU 446 Ca 0.28 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.89 3ifs h GLU 446 Cb 0.30 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 3ifs h GLU 446 CO -0.26 0.62 0.22 1.49 -1.16 0.00 0.00 179.01 179.92 3ifs h GLU 447 N 0.96 0.78 0.00 2.33 4.57 -1.14 0.26 114.58 122.34 3ifs h GLU 447 Ca 0.47 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.53 3ifs h GLU 447 Cb 0.43 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 3ifs h GLU 447 CO -0.25 0.64 0.00 0.00 -1.18 0.00 0.00 179.01 178.22 3ifs h ARG 448 N 0.78 0.00 0.01 1.92 3.08 -0.59 -3.21 114.38 116.37 3ifs h ARG 448 Ca 0.19 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.87 3ifs h ARG 448 Cb 0.15 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.13 3ifs h ARG 448 CO -0.02 0.00 -2.34 1.28 -1.07 0.00 0.00 179.97 177.82 3ifs n LEU 449 N -2.58 1.50 0.00 3.04 4.77 -0.56 -5.12 117.00 118.05 3ifs n LEU 449 Ca 0.03 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3ifs n LEU 449 Cb 0.35 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3ifs n LEU 449 CO 0.27 0.70 0.20 1.17 -1.33 0.00 0.00 177.39 178.40