#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fi0 s THR 3 N 0.00 5.04 -0.11 -0.18 2.01 -1.26 -1.44 115.64 119.70 3fi0 s THR 3 Ca 0.00 0.93 0.03 0.00 0.31 0.00 0.00 61.69 62.96 3fi0 s THR 3 Cb 0.00 -3.78 -0.00 0.00 0.01 0.00 0.00 72.50 68.73 3fi0 s THR 3 CO 0.00 0.49 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.56 3fi0 s ILE 4 N -0.47 2.21 -0.11 1.82 1.01 0.17 -1.03 121.20 124.80 3fi0 s ILE 4 Ca 0.25 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.97 3fi0 s ILE 4 Cb -0.17 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.45 3fi0 s ILE 4 CO 0.13 0.55 -0.23 0.12 0.00 0.00 0.00 174.94 175.51 3fi0 s PHE 5 N 0.40 2.53 -0.08 3.97 2.19 -1.00 -0.24 117.98 125.75 3fi0 s PHE 5 Ca -0.16 -1.10 0.01 0.00 0.33 0.00 0.00 56.93 56.01 3fi0 s PHE 5 Cb -0.17 -1.70 0.02 0.00 -1.31 0.00 0.00 43.02 39.85 3fi0 s PHE 5 CO 0.07 -0.46 -0.08 0.45 1.83 0.00 0.00 175.22 177.03 3fi0 s SER 6 N 0.48 1.76 -0.21 6.13 0.15 0.44 -4.24 113.70 118.22 3fi0 s SER 6 Ca -0.16 -0.26 -0.06 0.00 0.70 0.00 0.00 55.95 56.18 3fi0 s SER 6 Cb -0.17 -0.74 -0.03 0.00 -1.71 0.00 0.00 66.02 63.37 3fi0 s SER 6 CO 0.06 -0.05 0.02 -0.83 1.20 0.00 0.00 173.24 173.64 3fi0 s GLY 7 N 1.16 1.75 -0.15 9.45 0.00 -1.26 0.73 107.32 119.00 3fi0 s GLY 7 Ca -0.06 -0.98 -0.00 0.00 0.00 0.00 0.00 44.72 43.68 3fi0 s GLY 7 CO -0.02 0.26 -0.14 -0.42 0.00 0.00 0.00 173.10 172.78 3fi0 s ILE 8 N 1.02 2.80 0.02 0.90 -1.09 0.37 -4.90 121.20 120.32 3fi0 s ILE 8 Ca 0.02 -0.73 -0.27 0.00 -2.23 0.00 0.00 60.65 57.45 3fi0 s ILE 8 Cb -0.14 -2.19 -0.15 0.00 -1.58 0.00 0.00 42.46 38.40 3fi0 s ILE 8 CO 0.02 0.51 1.17 1.56 -1.23 0.00 0.00 174.94 176.98 3fi0 h GLN 9 N 7.21 -0.93 0.00 2.79 1.08 -1.85 -0.81 115.11 122.61 3fi0 h GLN 9 Ca -0.31 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 3fi0 h GLN 9 Cb 1.19 0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.83 3fi0 h GLN 9 CO 0.57 -0.62 0.00 0.25 -0.95 0.00 0.00 178.83 178.08 3fi0 n THR 15 N -5.16 0.00 0.27 -0.54 -2.24 -1.26 -4.97 114.28 100.38 3fi0 n THR 15 Ca -0.12 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.78 3fi0 n THR 15 Cb 0.38 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.81 3fi0 n THR 15 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 3fi0 h ILE 16 N 0.00 0.00 -0.19 2.28 3.07 -1.76 -2.90 117.51 118.01 3fi0 h ILE 16 Ca 0.00 -0.94 -0.06 0.00 1.55 0.00 0.00 64.86 65.41 3fi0 h ILE 16 Cb 0.00 1.93 -0.01 0.00 -0.27 0.00 0.00 36.82 38.46 3fi0 h ILE 16 CO 0.00 0.00 -0.15 1.23 -1.05 0.00 0.00 178.15 178.18 3fi0 h GLY 17 N 4.06 0.35 0.34 0.16 0.00 -1.93 -1.56 103.07 104.49 3fi0 h GLY 17 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 3fi0 h GLY 17 CO 0.00 0.21 -0.13 3.43 0.00 0.00 0.00 176.54 180.05 3fi0 h ASN 18 N 0.30 -0.32 -0.95 0.19 4.21 -1.92 -2.06 115.58 115.03 3fi0 h ASN 18 Ca 0.06 -0.11 0.23 0.00 1.21 0.00 0.00 56.30 57.69 3fi0 h ASN 18 Cb 0.45 0.08 -0.18 0.00 -1.12 0.00 0.00 38.32 37.55 3fi0 h ASN 18 CO 0.03 0.17 -0.10 0.00 -1.29 0.00 0.00 177.43 176.24 3fi0 n TYR 19 N -5.02 0.49 0.09 1.19 9.36 -1.12 -0.46 117.16 121.67 3fi0 n TYR 19 Ca -0.06 1.16 -0.09 0.00 3.32 0.00 0.00 57.90 62.23 3fi0 n TYR 19 Cb 0.21 -1.14 -0.04 0.00 -0.63 0.00 0.00 39.34 37.74 3fi0 n TYR 19 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 3fi0 h ILE 20 N 0.00 1.54 0.00 2.97 2.04 -1.34 -1.97 117.51 120.76 3fi0 h ILE 20 Ca 0.52 -2.82 -0.00 0.00 1.00 0.00 0.00 64.86 63.56 3fi0 h ILE 20 Cb 0.96 2.59 -0.00 0.00 -0.74 0.00 0.00 36.82 39.63 3fi0 h ILE 20 CO -0.94 0.82 -0.00 1.23 0.00 0.00 0.00 178.15 179.26 3fi0 h GLY 21 N 2.07 0.00 0.00 5.37 0.00 -0.01 -3.24 103.07 107.26 3fi0 h GLY 21 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3fi0 h GLY 21 CO 0.14 0.00 -0.71 0.00 0.00 0.00 0.00 176.54 175.97 3fi0 n ALA 22 N -2.75 1.86 -0.05 3.60 0.00 -0.93 -2.59 120.51 119.65 3fi0 n ALA 22 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 3fi0 n ALA 22 Cb 0.10 0.27 -0.14 0.00 0.00 0.00 0.00 19.45 19.68 3fi0 n ALA 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3fi0 n LEU 23 N -1.91 1.22 0.11 0.00 7.94 -1.20 -4.15 117.00 119.02 3fi0 n LEU 23 Ca 0.00 0.18 0.13 0.00 -1.11 0.00 0.00 56.01 55.21 3fi0 n LEU 23 Cb 0.36 -0.11 0.44 0.00 0.53 0.00 0.00 43.42 44.63 3fi0 n LEU 23 CO 0.00 0.58 0.88 -2.11 -1.11 0.00 0.00 177.39 175.63 3fi0 n ARG 24 N -3.07 0.23 0.05 1.96 -4.01 -0.74 -3.00 116.66 108.08 3fi0 n ARG 24 Ca -0.28 0.27 -0.18 0.00 -1.04 0.00 0.00 57.85 56.62 3fi0 n ARG 24 Cb 1.07 -1.81 -0.14 0.00 -3.04 0.00 0.00 32.46 28.54 3fi0 n ARG 24 CO 0.00 0.00 0.00 1.96 -3.04 0.00 0.00 177.63 176.55 3fi0 h GLN 25 N 0.00 0.25 -0.32 2.89 7.50 -1.82 -3.28 115.11 120.34 3fi0 h GLN 25 Ca 0.00 -0.43 0.09 0.00 0.50 0.00 0.00 58.65 58.81 3fi0 h GLN 25 Cb 0.61 0.16 -0.01 0.00 0.05 0.00 0.00 27.48 28.29 3fi0 h GLN 25 CO 0.00 1.10 0.39 0.74 -1.50 0.00 0.00 178.83 179.56 3fi0 h PHE 26 N 0.07 0.00 -0.09 2.96 0.04 -1.72 1.26 116.94 119.46 3fi0 h PHE 26 Ca -0.29 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.50 3fi0 h PHE 26 Cb 2.03 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 40.18 3fi0 h PHE 26 CO 0.06 0.00 0.07 0.28 -0.60 0.00 0.00 178.31 178.13 3fi0 h VAL 27 N 0.00 0.78 0.00 -0.55 2.07 -1.68 1.64 116.25 118.51 3fi0 h VAL 27 Ca 0.15 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.57 3fi0 h VAL 27 Cb 0.93 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 3fi0 h VAL 27 CO -0.00 0.00 -1.70 -0.62 0.02 0.00 0.00 177.57 175.27 3fi0 n GLU 28 N -4.25 1.13 0.21 1.57 -0.58 0.22 -4.51 120.64 114.43 3fi0 n GLU 28 Ca -0.01 -0.07 0.09 0.00 -0.42 0.00 0.00 57.16 56.76 3fi0 n GLU 28 Cb 0.18 -1.31 0.31 0.00 -0.57 0.00 0.00 31.44 30.05 3fi0 n GLU 28 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3fi0 h LEU 29 N 0.00 0.00 -0.57 -4.62 3.38 0.17 -3.07 115.31 110.59 3fi0 h LEU 29 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3fi0 h LEU 29 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3fi0 h LEU 29 CO 0.01 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.75 3fi0 n GLN 30 N -3.24 0.14 0.05 1.13 10.64 0.56 -1.34 117.38 125.31 3fi0 n GLN 30 Ca 0.02 0.40 0.04 0.00 -1.83 0.00 0.00 57.00 55.63 3fi0 n GLN 30 Cb 0.52 -1.78 -0.06 0.00 -0.86 0.00 0.00 30.24 28.05 3fi0 n GLN 30 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3fi0 n HIS 31 N -2.04 0.87 0.60 2.61 8.25 -1.16 -4.05 115.22 120.30 3fi0 n HIS 31 Ca 0.02 0.28 0.07 0.00 -0.26 0.00 0.00 57.72 57.82 3fi0 n HIS 31 Cb 0.19 -1.00 0.01 0.00 1.12 0.00 0.00 29.99 30.31 3fi0 n HIS 31 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3fi0 n GLU 32 N -2.76 1.68 -4.24 -0.41 -0.58 -0.98 -5.01 120.64 108.33 3fi0 n GLU 32 Ca -0.07 -0.85 -0.13 0.00 -0.42 0.00 0.00 57.16 55.69 3fi0 n GLU 32 Cb 0.73 -1.21 -0.10 0.00 -0.57 0.00 0.00 31.44 30.29 3fi0 n GLU 32 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3fi0 s TYR 33 N -1.59 1.20 -0.57 -0.32 1.51 -0.45 -4.68 117.35 112.45 3fi0 s TYR 33 Ca 0.12 -0.97 -0.18 0.00 -1.01 0.00 0.00 57.07 55.03 3fi0 s TYR 33 Cb 0.11 -0.68 0.10 0.00 -0.11 0.00 0.00 41.96 41.39 3fi0 s TYR 33 CO 0.31 -0.16 0.65 1.21 -1.11 0.00 0.00 175.55 176.45 3fi0 s ASN 34 N -3.16 6.19 -0.07 2.29 3.04 -0.52 -4.67 114.94 118.03 3fi0 s ASN 34 Ca 0.22 -1.42 -0.03 0.00 0.04 0.00 0.00 52.86 51.67 3fi0 s ASN 34 Cb 0.06 -2.28 -0.04 0.00 -1.54 0.00 0.00 41.25 37.45 3fi0 s ASN 34 CO 0.03 -1.02 0.06 0.00 -3.04 0.00 0.00 177.10 173.12 3fi0 s TYR 36 N -1.00 2.44 -0.39 0.00 2.02 0.67 -1.59 117.35 119.50 3fi0 s TYR 36 Ca 0.16 -0.94 0.03 0.00 -0.37 0.00 0.00 57.07 55.96 3fi0 s TYR 36 Cb -0.12 -1.63 0.11 0.00 -0.40 0.00 0.00 41.96 39.92 3fi0 s TYR 36 CO 0.06 -0.36 0.13 -0.06 -1.57 0.00 0.00 175.55 173.75 3fi0 s PHE 37 N 0.25 3.14 -0.22 2.71 0.40 0.21 -0.42 117.98 124.05 3fi0 s PHE 37 Ca -0.15 -2.82 -0.14 0.00 -0.60 0.00 0.00 56.93 53.22 3fi0 s PHE 37 Cb -0.17 -2.63 -0.04 0.00 0.51 0.00 0.00 43.02 40.69 3fi0 s PHE 37 CO 0.07 -0.87 0.29 0.00 0.70 0.00 0.00 175.22 175.42 3fi0 s ILE 39 N 1.21 4.37 -1.35 0.00 1.01 -0.23 0.14 121.20 126.36 3fi0 s ILE 39 Ca 0.14 -0.25 -0.17 0.00 0.00 0.00 0.00 60.65 60.37 3fi0 s ILE 39 Cb -0.14 -4.63 0.05 0.00 0.01 0.00 0.00 42.46 37.75 3fi0 s ILE 39 CO 0.06 -1.35 1.94 1.33 0.00 0.00 0.00 174.94 176.92 3fi0 n VAL 40 N 5.95 3.66 0.40 2.92 0.24 -0.31 -1.21 118.33 129.99 3fi0 n VAL 40 Ca -0.03 -3.58 0.13 0.00 -2.04 0.00 0.00 64.34 58.82 3fi0 n VAL 40 Cb 0.46 -2.44 0.40 0.00 -1.47 0.00 0.00 33.84 30.79 3fi0 n VAL 40 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3fi0 h ASP 41 N 7.04 0.00 1.14 -1.34 2.03 -1.93 -2.93 116.42 120.43 3fi0 h ASP 41 Ca 0.49 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.61 3fi0 h ASP 41 Cb 0.78 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.25 3fi0 h ASP 41 CO 1.63 0.00 -0.88 1.56 -1.03 0.00 0.00 179.24 180.52 3fi0 h GLN 42 N 0.00 0.00 0.00 4.15 4.20 -1.95 -3.08 115.11 118.42 3fi0 h GLN 42 Ca 0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 3fi0 h GLN 42 Cb 0.71 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 3fi0 h GLN 42 CO 0.00 0.75 -0.51 0.45 -0.67 0.00 0.00 178.83 178.85 3fi0 h HIS 43 N 0.00 0.00 0.00 2.96 3.86 -1.94 -3.27 115.15 116.76 3fi0 h HIS 43 Ca -0.03 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.12 3fi0 h HIS 43 Cb 1.64 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.10 3fi0 h HIS 43 CO 0.00 0.51 -0.28 0.00 0.86 0.00 0.00 177.93 179.02 3fi0 h ALA 44 N 1.49 1.31 -0.27 2.45 0.00 -1.42 -3.02 119.26 119.79 3fi0 h ALA 44 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3fi0 h ALA 44 Cb 1.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3fi0 h ALA 44 CO 0.07 0.35 0.00 0.44 0.00 0.00 0.00 179.25 180.11 3fi0 n ILE 45 N -3.88 1.19 1.06 0.00 -5.35 -1.23 -3.34 119.36 107.80 3fi0 n ILE 45 Ca -0.02 -0.62 0.13 0.00 -0.27 0.00 0.00 62.75 61.97 3fi0 n ILE 45 Cb 0.36 -0.34 0.45 0.00 -1.74 0.00 0.00 39.64 38.37 3fi0 n ILE 45 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3fi0 n THR 46 N 0.31 0.00 -4.18 7.28 -2.24 -1.14 -4.79 114.28 109.51 3fi0 n THR 46 Ca 0.13 -0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.78 3fi0 n THR 46 Cb 0.65 -0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.68 3fi0 n THR 46 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3fi0 s VAL 47 N -2.92 0.79 0.25 2.28 -7.23 -1.21 -4.59 120.40 107.76 3fi0 s VAL 47 Ca 0.15 -1.94 -0.31 0.00 -1.81 0.00 0.00 61.98 58.06 3fi0 s VAL 47 Cb 0.18 -1.70 -0.12 0.00 0.56 0.00 0.00 36.38 35.31 3fi0 s VAL 47 CO 0.60 -0.84 1.61 1.87 -0.31 0.00 0.00 175.10 178.03 3fi0 n TRP 48 N -0.04 2.67 -4.17 2.82 -0.00 -1.26 -4.99 117.44 112.46 3fi0 n TRP 48 Ca -0.12 0.21 -0.16 0.00 -0.00 0.00 0.00 57.50 57.43 3fi0 n TRP 48 Cb 0.61 -2.60 -0.12 0.00 -0.00 0.00 0.00 31.31 29.19 3fi0 n TRP 48 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 3fi0 s GLN 49 N 0.17 0.68 -0.15 5.87 -1.52 -1.26 -5.03 119.66 118.41 3fi0 s GLN 49 Ca 0.69 -0.72 -0.19 0.00 -1.95 0.00 0.00 55.36 53.19 3fi0 s GLN 49 Cb -0.54 -0.58 -0.04 0.00 -0.22 0.00 0.00 33.01 31.63 3fi0 s GLN 49 CO 0.43 0.13 0.53 0.34 -0.25 0.00 0.00 175.29 176.47 3fi0 s ASP 50 N -1.31 6.67 0.38 5.90 3.68 -1.26 -4.96 116.67 125.77 3fi0 s ASP 50 Ca -0.04 0.81 0.06 0.00 2.13 0.00 0.00 52.55 55.51 3fi0 s ASP 50 Cb -0.08 -2.31 0.78 0.00 -1.45 0.00 0.00 42.92 39.86 3fi0 s ASP 50 CO 0.01 -0.11 1.98 -0.65 0.13 0.00 0.00 175.17 176.53 3fi0 h PRO 51 N 7.08 0.68 -0.06 4.34 0.11 -1.99 0.13 132.00 142.29 3fi0 h PRO 51 Ca -0.37 -0.04 -0.25 0.00 0.11 0.00 0.00 66.00 65.45 3fi0 h PRO 51 Cb 1.17 -0.15 0.02 0.00 0.11 0.00 0.00 31.00 32.14 3fi0 h PRO 51 CO 0.75 0.45 -0.92 1.25 -0.21 0.00 0.00 178.00 179.32 3fi0 h HIS 52 N 0.70 1.04 0.00 0.65 2.76 -1.99 -2.03 115.15 116.28 3fi0 h HIS 52 Ca 0.27 -0.52 -0.07 0.00 -2.20 0.00 0.00 60.37 57.85 3fi0 h HIS 52 Cb 0.20 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 3fi0 h HIS 52 CO -0.00 1.36 -0.31 1.05 -1.30 0.00 0.00 177.93 178.73 3fi0 h GLU 53 N 0.42 0.00 0.22 5.26 4.11 -1.91 -2.03 114.58 120.65 3fi0 h GLU 53 Ca -0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.32 3fi0 h GLU 53 Cb 1.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.82 3fi0 h GLU 53 CO 0.18 0.31 -0.11 1.25 0.07 0.00 0.00 179.01 180.72 3fi0 h LEU 54 N 0.00 -0.25 -1.44 3.06 5.85 -0.74 -1.19 115.31 120.59 3fi0 h LEU 54 Ca -0.00 -0.28 0.20 0.00 0.84 0.00 0.00 57.88 58.63 3fi0 h LEU 54 Cb 1.08 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.10 3fi0 h LEU 54 CO 0.04 0.23 0.59 -0.09 -0.34 0.00 0.00 178.44 178.88 3fi0 h ARG 55 N -0.82 0.45 -0.09 1.25 9.65 -1.36 -1.82 114.38 121.64 3fi0 h ARG 55 Ca -0.03 -0.03 -0.15 0.00 -1.10 0.00 0.00 59.98 58.67 3fi0 h ARG 55 Cb 0.51 -0.10 0.01 0.00 -1.39 0.00 0.00 29.97 29.00 3fi0 h ARG 55 CO 0.05 0.30 -0.52 1.96 2.80 0.00 0.00 179.97 184.56 3fi0 h GLN 56 N 0.47 0.51 0.00 0.20 4.20 -1.30 -3.25 115.11 115.94 3fi0 h GLN 56 Ca 0.48 -0.43 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3fi0 h GLN 56 Cb 1.10 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.97 3fi0 h GLN 56 CO -0.20 1.06 0.00 -0.91 -0.67 0.00 0.00 178.83 178.12 3fi0 h ASN 57 N 0.10 0.00 0.01 1.46 2.35 -0.39 -1.77 115.58 117.34 3fi0 h ASN 57 Ca -0.04 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 3fi0 h ASN 57 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 3fi0 h ASN 57 CO 0.11 0.00 -0.13 0.40 -1.65 0.00 0.00 177.43 176.16 3fi0 h ILE 58 N 0.00 1.65 -0.01 2.81 2.04 -1.48 -2.60 117.51 119.92 3fi0 h ILE 58 Ca 0.00 -2.06 0.03 0.00 1.00 0.00 0.00 64.86 63.82 3fi0 h ILE 58 Cb 0.42 3.02 -0.03 0.00 -0.74 0.00 0.00 36.82 39.48 3fi0 h ILE 58 CO 0.00 0.55 -0.17 0.03 0.00 0.00 0.00 178.15 178.56 3fi0 h ARG 59 N -0.74 -0.27 -0.03 2.37 3.08 -1.55 -1.90 114.38 115.34 3fi0 h ARG 59 Ca -0.02 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.08 3fi0 h ARG 59 Cb 0.97 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.04 3fi0 h ARG 59 CO 0.02 -0.18 -0.14 0.00 -1.07 0.00 0.00 179.97 178.60 3fi0 h ARG 60 N -0.28 -0.21 -0.80 0.04 3.08 -1.44 -0.97 114.38 113.80 3fi0 h ARG 60 Ca 0.06 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.22 3fi0 h ARG 60 Cb 0.35 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.37 3fi0 h ARG 60 CO -0.17 -0.14 0.45 1.25 -1.07 0.00 0.00 179.97 180.28 3fi0 h LEU 61 N -0.22 0.62 -0.16 3.04 5.85 -1.31 -0.97 115.31 122.16 3fi0 h LEU 61 Ca 0.06 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3fi0 h LEU 61 Cb 0.30 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3fi0 h LEU 61 CO -0.16 0.35 0.04 0.00 -0.34 0.00 0.00 178.44 178.32 3fi0 h ALA 62 N 1.46 0.21 0.00 1.25 0.00 -0.92 -1.90 119.26 119.36 3fi0 h ALA 62 Ca 0.39 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3fi0 h ALA 62 Cb 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3fi0 h ALA 62 CO -0.26 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 178.84 3fi0 h ALA 63 N 0.84 1.00 0.15 0.00 0.00 -0.70 -2.49 119.26 118.05 3fi0 h ALA 63 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.63 3fi0 h ALA 63 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3fi0 h ALA 63 CO 0.00 0.00 -1.62 -0.07 0.00 0.00 0.00 179.25 177.56 3fi0 h LEU 64 N 0.00 0.49 -0.81 0.00 3.38 -0.88 -1.39 115.31 116.10 3fi0 h LEU 64 Ca 0.00 -0.70 -0.11 0.00 0.09 0.00 0.00 57.88 57.16 3fi0 h LEU 64 Cb 0.28 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3fi0 h LEU 64 CO 0.00 1.59 -0.32 1.88 0.09 0.00 0.00 178.44 181.67 3fi0 h TYR 65 N 0.09 0.60 -0.05 1.13 -1.99 -1.06 -0.30 116.97 115.39 3fi0 h TYR 65 Ca -0.29 -0.15 -0.15 0.00 2.00 0.00 0.00 58.73 60.15 3fi0 h TYR 65 Cb 2.06 -0.14 0.01 0.00 2.00 0.00 0.00 36.73 40.66 3fi0 h TYR 65 CO 0.08 0.78 -0.55 -0.07 -0.00 0.00 0.00 178.16 178.40 3fi0 h LEU 66 N 0.44 0.57 -1.86 3.88 3.38 -1.55 -0.31 115.31 119.86 3fi0 h LEU 66 Ca 0.05 -0.70 -0.01 0.00 0.09 0.00 0.00 57.88 57.32 3fi0 h LEU 66 Cb 0.78 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3fi0 h LEU 66 CO 0.06 1.19 0.01 0.00 0.09 0.00 0.00 178.44 179.79 3fi0 h ALA 67 N 0.40 1.89 0.00 1.53 0.00 -1.11 -1.67 119.26 120.30 3fi0 h ALA 67 Ca -0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3fi0 h ALA 67 Cb 1.23 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3fi0 h ALA 67 CO 0.11 0.09 -0.02 0.28 0.00 0.00 0.00 179.25 179.71 3fi0 h VAL 68 N 0.10 0.04 0.00 0.00 2.07 -0.99 -3.43 116.25 114.05 3fi0 h VAL 68 Ca 0.02 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.68 3fi0 h VAL 68 Cb 0.05 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3fi0 h VAL 68 CO -0.00 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.22 3fi0 n GLY 69 N 0.70 1.34 3.70 2.17 0.00 -0.63 -5.00 105.19 107.47 3fi0 n GLY 69 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3fi0 n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fi0 s ILE 70 N -1.74 4.03 -0.46 -0.61 -1.09 -0.14 -4.75 121.20 116.45 3fi0 s ILE 70 Ca 0.00 1.42 -0.14 0.00 -2.23 0.00 0.00 60.65 59.70 3fi0 s ILE 70 Cb 0.00 -3.91 0.07 0.00 -1.58 0.00 0.00 42.46 37.04 3fi0 s ILE 70 CO 0.00 0.05 0.37 -0.62 -1.23 0.00 0.00 174.94 173.50 3fi0 s ASP 71 N 1.37 6.04 0.60 3.58 2.15 -1.26 -4.49 116.67 124.66 3fi0 s ASP 71 Ca 0.59 -1.36 0.29 0.00 0.43 0.00 0.00 52.55 52.49 3fi0 s ASP 71 Cb -0.28 -2.14 1.52 0.00 -0.30 0.00 0.00 42.92 41.71 3fi0 s ASP 71 CO 0.26 -0.62 1.93 1.55 -0.17 0.00 0.00 175.17 178.12 3fi0 h PRO 72 N 8.68 0.00 0.00 4.34 0.13 -1.94 1.05 132.00 144.26 3fi0 h PRO 72 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 3fi0 h PRO 72 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3fi0 h PRO 72 CO 0.85 0.00 -0.09 1.79 -0.23 0.00 0.00 178.00 180.32 3fi0 h THR 73 N 0.00 0.15 0.00 1.56 1.35 -1.99 -3.35 112.91 110.64 3fi0 h THR 73 Ca 0.17 -1.22 -0.41 0.00 -0.55 0.00 0.00 66.41 64.40 3fi0 h THR 73 Cb 1.02 2.07 -0.07 0.00 -1.73 0.00 0.00 68.15 69.44 3fi0 h THR 73 CO -0.00 0.09 -2.49 1.67 -0.25 0.00 0.00 175.52 174.53 3fi0 n GLN 74 N -3.12 0.63 -4.54 4.72 -0.06 0.29 -5.04 117.38 110.26 3fi0 n GLN 74 Ca 0.04 0.18 -0.26 0.00 -2.00 0.00 0.00 57.00 54.96 3fi0 n GLN 74 Cb 0.57 -1.51 -0.10 0.00 -4.06 0.00 0.00 30.24 25.14 3fi0 n GLN 74 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3fi0 s ALA 75 N -2.51 3.04 -0.30 1.69 0.00 0.27 -4.67 121.76 119.28 3fi0 s ALA 75 Ca -0.36 -2.13 -0.11 0.00 0.00 0.00 0.00 51.96 49.35 3fi0 s ALA 75 Cb 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 3fi0 s ALA 75 CO 0.56 0.03 0.20 0.99 0.00 0.00 0.00 175.76 177.54 3fi0 s THR 76 N -2.62 5.27 -0.18 0.00 2.01 -0.62 -4.37 115.64 115.13 3fi0 s THR 76 Ca 0.33 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.38 3fi0 s THR 76 Cb 0.04 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 69.01 3fi0 s THR 76 CO 0.17 0.17 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.91 3fi0 s LEU 77 N 1.74 2.08 0.30 4.42 2.96 -1.26 -0.62 118.68 128.30 3fi0 s LEU 77 Ca 0.07 -0.69 -0.08 0.00 -0.22 0.00 0.00 54.13 53.21 3fi0 s LEU 77 Cb -0.16 -1.31 0.00 0.00 0.50 0.00 0.00 46.19 45.22 3fi0 s LEU 77 CO 0.11 -0.07 0.49 0.72 -1.32 0.00 0.00 176.35 176.28 3fi0 s PHE 78 N 1.38 0.70 -0.28 5.38 -0.71 -0.87 -4.07 117.98 119.50 3fi0 s PHE 78 Ca 0.03 -1.02 -0.09 0.00 -1.04 0.00 0.00 56.93 54.80 3fi0 s PHE 78 Cb -0.14 0.10 -0.03 0.00 -1.21 0.00 0.00 43.02 41.74 3fi0 s PHE 78 CO -0.10 -1.10 0.14 0.42 -1.34 0.00 0.00 175.22 173.23 3fi0 s ILE 79 N -3.40 4.76 0.25 -4.49 1.01 -1.26 -1.06 121.20 117.01 3fi0 s ILE 79 Ca 0.26 -0.11 -0.08 0.00 0.00 0.00 0.00 60.65 60.72 3fi0 s ILE 79 Cb -0.01 -3.29 0.40 0.00 0.01 0.00 0.00 42.46 39.57 3fi0 s ILE 79 CO 0.15 0.24 1.43 1.67 0.00 0.00 0.00 174.94 178.42 3fi0 n GLN 80 N 4.99 -0.09 0.22 2.79 7.27 -0.35 -0.46 117.38 131.75 3fi0 n GLN 80 Ca -0.15 1.43 0.15 0.00 0.07 0.00 0.00 57.00 58.50 3fi0 n GLN 80 Cb 0.51 -2.13 0.77 0.00 2.41 0.00 0.00 30.24 31.80 3fi0 n GLN 80 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3fi0 h SER 81 N 0.00 0.00 0.68 1.69 4.64 -1.96 -2.16 113.55 116.45 3fi0 h SER 81 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3fi0 h SER 81 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3fi0 h SER 81 CO -0.94 0.00 -0.23 -0.62 -0.87 0.00 0.00 176.83 174.17 3fi0 n GLU 82 N -2.55 0.11 -3.86 4.77 1.02 0.40 -4.42 120.64 116.10 3fi0 n GLU 82 Ca -0.01 -0.04 -0.35 0.00 -0.02 0.00 0.00 57.16 56.74 3fi0 n GLU 82 Cb 0.09 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.88 3fi0 n GLU 82 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3fi0 s VAL 83 N -2.92 2.97 -0.99 2.62 1.01 -0.81 -4.94 120.40 117.34 3fi0 s VAL 83 Ca 0.15 -1.98 0.19 0.00 0.00 0.00 0.00 61.98 60.34 3fi0 s VAL 83 Cb 0.19 -3.00 0.15 0.00 0.00 0.00 0.00 36.38 33.72 3fi0 s VAL 83 CO 0.59 -0.54 1.59 -2.65 0.00 0.00 0.00 175.10 174.10 3fi0 n PRO 84 N 4.52 0.00 0.26 2.72 -0.01 -1.26 -2.88 135.00 138.34 3fi0 n PRO 84 Ca -0.03 0.19 0.13 0.00 -0.01 0.00 0.00 63.50 63.77 3fi0 n PRO 84 Cb 0.42 -1.51 0.68 0.00 -0.01 0.00 0.00 33.50 33.08 3fi0 n PRO 84 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 3fi0 h ALA 85 N 2.63 1.21 0.02 3.55 0.00 -1.93 -2.18 119.26 122.56 3fi0 h ALA 85 Ca 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3fi0 h ALA 85 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3fi0 h ALA 85 CO 0.00 0.17 -0.01 0.45 0.00 0.00 0.00 179.25 179.86 3fi0 h HIS 86 N 0.00 -0.02 -0.47 0.00 3.86 -1.85 0.10 115.15 116.77 3fi0 h HIS 86 Ca -0.00 -0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 3fi0 h HIS 86 Cb 0.42 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 3fi0 h HIS 86 CO 0.00 0.21 -0.10 0.00 0.86 0.00 0.00 177.93 178.89 3fi0 h ALA 87 N 0.73 0.65 -0.34 2.45 0.00 -1.72 -1.27 119.26 119.77 3fi0 h ALA 87 Ca -0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3fi0 h ALA 87 Cb 0.24 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3fi0 h ALA 87 CO 0.00 0.55 0.21 1.96 0.00 0.00 0.00 179.25 181.97 3fi0 h GLN 88 N 0.75 0.46 -0.06 0.00 4.20 -1.34 -2.75 115.11 116.38 3fi0 h GLN 88 Ca 0.12 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.65 3fi0 h GLN 88 Cb 0.65 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3fi0 h GLN 88 CO 0.04 0.35 -0.58 0.00 -0.67 0.00 0.00 178.83 177.97 3fi0 h ALA 89 N 1.09 0.92 -0.13 3.87 0.00 -0.75 -3.13 119.26 121.12 3fi0 h ALA 89 Ca 0.12 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 3fi0 h ALA 89 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3fi0 h ALA 89 CO -0.02 0.72 -0.25 0.00 0.00 0.00 0.00 179.25 179.69 3fi0 h ALA 90 N 1.26 1.34 0.00 0.00 0.00 -1.09 -2.21 119.26 118.56 3fi0 h ALA 90 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3fi0 h ALA 90 Cb 1.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3fi0 h ALA 90 CO 0.09 0.45 0.00 1.87 0.00 0.00 0.00 179.25 181.66 3fi0 n TRP 91 N -4.17 0.00 0.00 0.00 -0.00 -1.05 -1.60 117.44 110.63 3fi0 n TRP 91 Ca -0.01 -0.08 0.00 0.00 -0.00 0.00 0.00 57.50 57.41 3fi0 n TRP 91 Cb 0.36 -0.09 0.00 0.00 -0.00 0.00 0.00 31.31 31.58 3fi0 n TRP 91 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 3fi0 n LEU 93 N 0.49 0.00 -0.17 5.87 4.77 -0.83 -2.23 117.00 124.91 3fi0 n LEU 93 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 3fi0 n LEU 93 Cb 0.14 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.70 3fi0 n LEU 93 CO 0.00 0.00 1.21 1.56 -1.33 0.00 0.00 177.39 178.83 3fi0 h GLN 94 N 0.00 0.47 0.00 3.23 4.20 -1.57 0.17 115.11 121.61 3fi0 h GLN 94 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3fi0 h GLN 94 Cb 0.00 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.67 3fi0 h GLN 94 CO 0.00 0.31 0.00 0.00 -0.67 0.00 0.00 178.83 178.47 3fi0 n ILE 96 N -2.51 0.00 -2.45 0.00 -5.35 -0.58 -4.97 119.36 103.50 3fi0 n ILE 96 Ca 0.03 -0.23 -0.32 0.00 -0.27 0.00 0.00 62.75 61.96 3fi0 n ILE 96 Cb 0.33 0.92 -0.03 0.00 -1.74 0.00 0.00 39.64 39.12 3fi0 n ILE 96 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3fi0 s VAL 97 N -2.17 4.59 0.00 7.28 0.11 -0.06 -5.06 120.40 125.08 3fi0 s VAL 97 Ca 0.04 1.09 -0.00 0.00 -2.93 0.00 0.00 61.98 60.17 3fi0 s VAL 97 Cb 0.09 -3.73 -0.04 0.00 -1.53 0.00 0.00 36.38 31.17 3fi0 s VAL 97 CO 0.48 -0.68 0.09 -0.31 -3.33 0.00 0.00 175.10 171.34 3fi0 s TYR 98 N -2.61 3.29 0.20 1.54 2.02 -1.26 -4.94 117.35 115.60 3fi0 s TYR 98 Ca 0.57 0.21 -0.10 0.00 -0.37 0.00 0.00 57.07 57.38 3fi0 s TYR 98 Cb -0.10 -1.74 0.24 0.00 -0.40 0.00 0.00 41.96 39.96 3fi0 s TYR 98 CO 0.32 0.55 1.77 0.82 -1.57 0.00 0.00 175.55 177.44 3fi0 h ILE 99 N 3.15 0.85 -0.90 2.71 1.08 -1.97 -1.01 117.51 121.43 3fi0 h ILE 99 Ca -0.49 -0.16 0.08 0.00 -0.39 0.00 0.00 64.86 63.89 3fi0 h ILE 99 Cb 1.18 0.33 -0.06 0.00 -3.07 0.00 0.00 36.82 35.20 3fi0 h ILE 99 CO 0.63 0.09 0.58 1.23 -0.69 0.00 0.00 178.15 179.99 3fi0 h GLY 100 N 0.48 1.31 0.97 5.37 0.00 -1.98 0.43 103.07 109.65 3fi0 h GLY 100 Ca 0.29 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 3fi0 h GLY 100 CO -0.25 0.26 0.21 0.83 0.00 0.00 0.00 176.54 177.60 3fi0 h GLU 101 N 0.97 0.68 -0.34 4.80 5.08 -1.61 -0.53 114.58 123.64 3fi0 h GLU 101 Ca 0.40 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.51 3fi0 h GLU 101 Cb 0.29 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3fi0 h GLU 101 CO -0.16 0.59 -0.35 -0.07 -1.00 0.00 0.00 179.01 178.02 3fi0 h LEU 102 N 0.61 0.80 -0.83 1.33 3.38 -0.66 -3.11 115.31 116.84 3fi0 h LEU 102 Ca 0.16 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 3fi0 h LEU 102 Cb 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3fi0 h LEU 102 CO -0.02 1.07 -0.36 -0.33 0.09 0.00 0.00 178.44 178.90 3fi0 h GLU 103 N 0.64 0.44 -6.46 1.13 5.08 0.07 -3.47 114.58 112.01 3fi0 h GLU 103 Ca 0.06 -0.20 -0.57 0.00 -1.00 0.00 0.00 59.36 57.65 3fi0 h GLU 103 Cb 0.89 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 3fi0 h GLU 103 CO 0.08 0.74 1.10 1.03 -1.00 0.00 0.00 179.01 180.96 3fi0 s ARG 104 N -4.29 3.58 -0.13 2.33 0.52 -0.23 -5.00 118.95 115.74 3fi0 s ARG 104 Ca -0.06 1.09 0.02 0.00 -0.52 0.00 0.00 55.73 56.26 3fi0 s ARG 104 Cb 0.13 -4.04 -0.09 0.00 0.52 0.00 0.00 34.95 31.47 3fi0 s ARG 104 CO 0.80 -1.56 -0.10 2.41 0.02 0.00 0.00 175.30 176.87 3fi0 n THR 106 N 7.02 0.73 0.00 0.02 -1.04 -1.26 -5.11 114.28 114.65 3fi0 n THR 106 Ca 0.18 -0.30 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 3fi0 n THR 106 Cb 0.47 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 68.06 3fi0 n THR 106 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3fi0 n GLN 107 N -2.81 0.97 0.00 -2.82 -0.06 -1.26 -5.28 117.38 106.11 3fi0 n GLN 107 Ca -0.22 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.78 3fi0 n GLN 107 Cb 0.75 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.93 3fi0 n GLN 107 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3fi0 n VAL 118 N 0.00 0.00 -1.86 1.69 0.31 -1.26 -5.16 118.33 112.05 3fi0 n VAL 118 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 3fi0 n VAL 118 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 3fi0 n VAL 118 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3fi0 s SER 119 N 0.00 6.47 0.60 4.52 0.15 -1.26 -4.87 113.70 119.31 3fi0 s SER 119 Ca 0.00 2.85 0.37 0.00 0.70 0.00 0.00 55.95 59.87 3fi0 s SER 119 Cb 0.00 -2.63 1.84 0.00 -1.71 0.00 0.00 66.02 63.52 3fi0 s SER 119 CO 0.00 -0.84 2.17 0.00 1.20 0.00 0.00 173.24 175.77 3fi0 h ALA 120 N 4.96 1.06 0.00 5.45 0.00 -2.01 -2.14 119.26 126.57 3fi0 h ALA 120 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3fi0 h ALA 120 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3fi0 h ALA 120 CO 0.79 0.03 0.00 0.78 0.00 0.00 0.00 179.25 180.85 3fi0 h GLY 121 N 0.94 0.00 2.00 0.00 0.00 -1.90 -1.36 103.07 102.76 3fi0 h GLY 121 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fi0 h GLY 121 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 3fi0 h LEU 122 N 0.00 0.00 0.00 3.11 -0.00 -1.63 -2.42 115.31 114.37 3fi0 h LEU 122 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.57 3fi0 h LEU 122 Cb 0.36 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.96 3fi0 h LEU 122 CO 0.00 0.00 -2.26 -0.11 -0.00 0.00 0.00 178.44 176.07 3fi0 n LEU 123 N -2.53 0.00 -0.69 1.67 7.94 -0.59 -4.64 117.00 118.16 3fi0 n LEU 123 Ca 0.05 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 55.03 3fi0 n LEU 123 Cb 0.44 0.42 0.09 0.00 0.53 0.00 0.00 43.42 44.90 3fi0 n LEU 123 CO 0.31 0.42 0.53 0.35 -1.11 0.00 0.00 177.39 177.89 3fi0 n THR 124 N -2.65 0.11 0.25 1.96 -2.24 -0.71 -4.50 114.28 106.49 3fi0 n THR 124 Ca -0.28 -0.56 0.11 0.00 -2.27 0.00 0.00 64.05 61.05 3fi0 n THR 124 Cb 1.06 1.25 0.64 0.00 -2.10 0.00 0.00 70.33 71.18 3fi0 n THR 124 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 3fi0 h TYR 125 N 3.22 0.00 -0.35 4.78 -0.00 -1.69 -3.23 116.97 119.69 3fi0 h TYR 125 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 58.73 58.79 3fi0 h TYR 125 Cb 0.71 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 37.38 3fi0 h TYR 125 CO 0.04 0.16 -0.00 -1.35 -0.00 0.00 0.00 178.16 177.01 3fi0 h PRO 126 N 0.00 0.09 0.00 0.10 0.11 -1.87 -0.98 132.00 129.45 3fi0 h PRO 126 Ca -0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3fi0 h PRO 126 Cb 0.45 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.54 3fi0 h PRO 126 CO 0.02 0.06 0.00 -1.35 -0.21 0.00 0.00 178.00 176.52 3fi0 h PRO 127 N 0.10 0.00 -0.99 1.05 0.11 -1.91 -0.74 132.00 129.61 3fi0 h PRO 127 Ca 0.17 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.24 3fi0 h PRO 127 Cb 0.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 3fi0 h PRO 127 CO -0.29 0.00 0.05 -0.11 -0.21 0.00 0.00 178.00 177.44 3fi0 n LEU 128 N -2.75 3.06 0.00 2.35 7.94 -0.37 -2.20 117.00 125.02 3fi0 n LEU 128 Ca -0.00 -1.55 0.00 0.00 -1.11 0.00 0.00 56.01 53.35 3fi0 n LEU 128 Cb 0.17 -0.53 0.00 0.00 0.53 0.00 0.00 43.42 43.60 3fi0 n LEU 128 CO 0.20 0.51 0.00 0.00 -1.11 0.00 0.00 177.39 176.99 3fi0 n ALA 130 N 0.31 0.00 -0.24 1.96 0.00 -0.29 -1.49 120.51 120.77 3fi0 n ALA 130 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.43 3fi0 n ALA 130 Cb 0.57 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.06 3fi0 n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fi0 h ALA 131 N 0.00 0.84 -0.51 0.00 0.00 -1.71 0.21 119.26 118.09 3fi0 h ALA 131 Ca 0.00 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.89 3fi0 h ALA 131 Cb 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 17.79 17.43 3fi0 h ALA 131 CO 0.00 0.35 -0.39 -0.44 0.00 0.00 0.00 179.25 178.77 3fi0 h ASP 132 N 0.90 -1.34 0.07 0.00 3.32 -1.55 -1.18 116.42 116.63 3fi0 h ASP 132 Ca 0.23 0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.51 3fi0 h ASP 132 Cb 0.03 0.62 0.00 0.00 0.22 0.00 0.00 39.33 40.20 3fi0 h ASP 132 CO -0.04 -0.33 -0.03 0.40 -1.72 0.00 0.00 179.24 177.51 3fi0 h ILE 133 N -0.24 0.00 -1.38 0.35 2.04 -1.76 -3.33 117.51 113.18 3fi0 h ILE 133 Ca 0.18 -0.04 0.40 0.00 1.00 0.00 0.00 64.86 66.41 3fi0 h ILE 133 Cb 0.56 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.57 3fi0 h ILE 133 CO -0.64 0.00 0.97 -0.07 0.00 0.00 0.00 178.15 178.41 3fi0 h LEU 134 N -0.13 0.09 -1.63 1.44 3.38 -0.95 -1.90 115.31 115.61 3fi0 h LEU 134 Ca -0.01 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.06 3fi0 h LEU 134 Cb 0.07 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3fi0 h LEU 134 CO 0.02 -0.02 0.36 -0.07 0.09 0.00 0.00 178.44 178.82 3fi0 h LEU 135 N 0.06 0.39 -3.07 1.67 3.38 -1.32 -2.73 115.31 113.69 3fi0 h LEU 135 Ca 0.70 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.67 3fi0 h LEU 135 Cb 2.58 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 43.25 3fi0 h LEU 135 CO -0.11 0.25 0.00 -1.22 0.09 0.00 0.00 178.44 177.45 3fi0 n TYR 136 N -4.47 1.35 -3.86 1.13 4.01 -0.71 -4.42 117.16 110.19 3fi0 n TYR 136 Ca 0.08 -0.60 -0.30 0.00 -0.16 0.00 0.00 57.90 56.92 3fi0 n TYR 136 Cb 0.29 -0.20 0.02 0.00 -0.31 0.00 0.00 39.34 39.14 3fi0 n TYR 136 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3fi0 n ASN 137 N 1.15 -4.62 -4.77 7.72 4.13 -1.03 -4.89 115.26 112.95 3fi0 n ASN 137 Ca 0.25 -0.74 -0.38 0.00 1.68 0.00 0.00 54.58 55.39 3fi0 n ASN 137 Cb 0.83 -3.71 -0.01 0.00 -1.54 0.00 0.00 39.78 35.36 3fi0 n ASN 137 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3fi0 s THR 138 N -3.25 2.90 -0.23 3.41 -1.32 -1.25 -4.65 115.64 111.24 3fi0 s THR 138 Ca 0.64 0.72 0.07 0.00 -1.21 0.00 0.00 61.69 61.91 3fi0 s THR 138 Cb -0.32 -3.39 -0.19 0.00 -1.51 0.00 0.00 72.50 67.09 3fi0 s THR 138 CO 0.79 0.03 -0.12 0.47 -2.21 0.00 0.00 174.62 173.58 3fi0 n ASP 139 N -0.29 1.38 -4.19 8.08 8.00 -0.20 -4.20 116.55 125.14 3fi0 n ASP 139 Ca 0.06 -0.09 -0.23 0.00 0.71 0.00 0.00 54.79 55.24 3fi0 n ASP 139 Cb 0.46 0.10 -0.14 0.00 -0.02 0.00 0.00 41.12 41.53 3fi0 n ASP 139 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3fi0 s ILE 140 N -2.49 1.38 -0.26 0.53 1.01 -0.83 -2.21 121.20 118.33 3fi0 s ILE 140 Ca -0.25 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 59.40 3fi0 s ILE 140 Cb 0.08 -1.20 0.07 0.00 0.01 0.00 0.00 42.46 41.42 3fi0 s ILE 140 CO 0.66 0.18 0.02 -0.69 0.00 0.00 0.00 174.94 175.11 3fi0 s VAL 141 N -0.70 1.17 -1.17 2.92 1.01 0.00 -2.38 120.40 121.26 3fi0 s VAL 141 Ca 0.05 -1.21 -0.19 0.00 0.00 0.00 0.00 61.98 60.63 3fi0 s VAL 141 Cb -0.08 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3fi0 s VAL 141 CO 0.01 -0.33 1.97 -0.81 0.00 0.00 0.00 175.10 175.94 3fi0 n PRO 142 N 4.77 2.28 -4.37 2.72 -0.04 -1.12 -1.29 135.00 137.95 3fi0 n PRO 142 Ca -0.07 -2.51 -0.20 0.00 -0.04 0.00 0.00 63.50 60.67 3fi0 n PRO 142 Cb 0.44 -3.32 -0.10 0.00 -0.04 0.00 0.00 33.50 30.47 3fi0 n PRO 142 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3fi0 s VAL 143 N 5.59 1.93 0.18 0.52 -7.23 -1.26 -4.85 120.40 115.28 3fi0 s VAL 143 Ca 0.56 -2.20 -0.03 0.00 -1.81 0.00 0.00 61.98 58.50 3fi0 s VAL 143 Cb 0.09 -2.07 0.04 0.00 0.56 0.00 0.00 36.38 35.00 3fi0 s VAL 143 CO 0.06 -0.49 0.24 0.61 -0.31 0.00 0.00 175.10 175.21 3fi0 n GLY 144 N -0.30 -1.19 0.27 2.32 0.00 -1.26 -4.43 105.19 100.60 3fi0 n GLY 144 Ca -0.08 -1.68 0.16 0.00 0.00 0.00 0.00 46.02 44.42 3fi0 n GLY 144 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3fi0 h GLU 145 N 0.00 0.00 0.00 1.61 4.22 -2.01 -2.85 114.58 115.55 3fi0 h GLU 145 Ca -0.08 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.36 3fi0 h GLU 145 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3fi0 h GLU 145 CO 0.06 0.01 0.00 -0.40 -2.18 0.00 0.00 179.01 176.50 3fi0 n ASP 146 N -3.11 0.00 0.00 1.04 5.75 -1.26 -2.27 116.55 116.71 3fi0 n ASP 146 Ca 0.01 -0.86 0.00 0.00 -0.01 0.00 0.00 54.79 53.93 3fi0 n ASP 146 Cb 0.35 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 3fi0 n ASP 146 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fi0 n GLN 147 N -0.84 1.81 0.23 0.11 1.13 -1.07 -4.73 117.38 114.02 3fi0 n GLN 147 Ca 0.11 -1.12 0.08 0.00 -1.94 0.00 0.00 57.00 54.13 3fi0 n GLN 147 Cb 0.05 -0.86 0.57 0.00 0.11 0.00 0.00 30.24 30.10 3fi0 n GLN 147 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 3fi0 h LYS 148 N 0.00 0.00 -0.16 -1.09 1.79 -1.57 -0.19 116.57 115.34 3fi0 h LYS 148 Ca 0.00 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.30 3fi0 h LYS 148 Cb 0.58 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.22 3fi0 h LYS 148 CO 0.00 0.20 -0.62 0.37 -1.08 0.00 0.00 179.45 178.33 3fi0 h GLN 149 N 0.00 0.57 -0.37 3.15 4.15 -1.85 -1.55 115.11 119.22 3fi0 h GLN 149 Ca -0.00 -0.39 -0.11 0.00 0.77 0.00 0.00 58.65 58.92 3fi0 h GLN 149 Cb 0.43 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 3fi0 h GLN 149 CO 0.03 1.01 -0.21 0.45 -1.93 0.00 0.00 178.83 178.17 3fi0 h HIS 150 N 0.42 0.80 0.24 3.99 3.86 -1.41 -2.95 115.15 120.10 3fi0 h HIS 150 Ca -0.01 -0.18 -0.32 0.00 -1.16 0.00 0.00 60.37 58.71 3fi0 h HIS 150 Cb 1.18 -0.20 0.04 0.00 1.06 0.00 0.00 27.41 29.49 3fi0 h HIS 150 CO 0.05 0.87 -1.39 0.82 0.86 0.00 0.00 177.93 179.14 3fi0 h ILE 151 N 0.63 1.31 0.00 2.45 1.08 -1.07 -2.43 117.51 119.48 3fi0 h ILE 151 Ca 0.09 -2.67 -0.01 0.00 -0.39 0.00 0.00 64.86 61.88 3fi0 h ILE 151 Cb 0.70 3.07 -0.00 0.00 -3.07 0.00 0.00 36.82 37.51 3fi0 h ILE 151 CO 0.05 0.80 -0.05 -0.33 -0.69 0.00 0.00 178.15 177.93 3fi0 h GLU 152 N 0.06 0.00 -0.00 2.37 4.39 -1.31 0.77 114.58 120.86 3fi0 h GLU 152 Ca -0.24 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.39 3fi0 h GLU 152 Cb 2.09 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.75 3fi0 h GLU 152 CO 0.26 0.05 -0.26 1.25 -1.16 0.00 0.00 179.01 179.15 3fi0 h LEU 153 N 0.00 0.23 -2.25 1.33 5.85 -1.54 0.48 115.31 119.42 3fi0 h LEU 153 Ca -0.00 -0.77 0.00 0.00 0.84 0.00 0.00 57.88 57.95 3fi0 h LEU 153 Cb 0.09 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3fi0 h LEU 153 CO 0.01 0.97 0.00 0.71 -0.34 0.00 0.00 178.44 179.79 3fi0 h THR 154 N -0.48 0.00 0.19 1.05 1.35 -0.95 0.16 112.91 114.23 3fi0 h THR 154 Ca -0.03 -0.20 -0.31 0.00 -0.55 0.00 0.00 66.41 65.32 3fi0 h THR 154 Cb 1.01 1.15 0.02 0.00 -1.73 0.00 0.00 68.15 68.60 3fi0 h THR 154 CO 0.05 0.00 -1.44 0.03 -0.25 0.00 0.00 175.52 173.91 3fi0 h ARG 155 N 0.00 0.41 -0.25 4.72 3.08 -0.72 -2.57 114.38 119.04 3fi0 h ARG 155 Ca 0.00 -0.69 -0.15 0.00 0.07 0.00 0.00 59.98 59.21 3fi0 h ARG 155 Cb 0.20 0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3fi0 h ARG 155 CO 0.00 1.32 -0.44 -0.44 -1.07 0.00 0.00 179.97 179.34 3fi0 h ASP 156 N 0.11 0.68 -0.19 7.04 3.32 0.69 -2.26 116.42 125.81 3fi0 h ASP 156 Ca -0.22 -0.32 -0.17 0.00 0.02 0.00 0.00 57.03 56.34 3fi0 h ASP 156 Cb 2.08 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 41.45 3fi0 h ASP 156 CO 0.23 1.02 -0.53 -0.07 -1.72 0.00 0.00 179.24 178.17 3fi0 h LEU 157 N 0.51 0.80 -0.10 1.55 3.38 -0.84 -1.70 115.31 118.91 3fi0 h LEU 157 Ca 0.04 -0.58 -0.00 0.00 0.09 0.00 0.00 57.88 57.42 3fi0 h LEU 157 Cb 0.97 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 3fi0 h LEU 157 CO 0.09 1.24 0.06 0.00 0.09 0.00 0.00 178.44 179.91 3fi0 h ALA 158 N 0.58 0.13 -0.25 1.53 0.00 -1.43 -1.78 119.26 118.04 3fi0 h ALA 158 Ca -0.01 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3fi0 h ALA 158 Cb 1.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3fi0 h ALA 158 CO 0.11 -0.35 -0.34 1.49 0.00 0.00 0.00 179.25 180.17 3fi0 h GLU 159 N 0.08 0.52 -0.50 0.00 4.57 -1.46 -0.52 114.58 117.28 3fi0 h GLU 159 Ca 0.03 -0.24 -0.10 0.00 -1.18 0.00 0.00 59.36 57.88 3fi0 h GLU 159 Cb 0.05 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 3fi0 h GLU 159 CO -0.01 0.79 -0.09 -0.09 -1.18 0.00 0.00 179.01 178.43 3fi0 h ARG 160 N 0.45 0.90 -0.24 1.92 2.43 -1.21 -2.09 114.38 116.54 3fi0 h ARG 160 Ca 0.05 -0.31 -0.11 0.00 -0.81 0.00 0.00 59.98 58.80 3fi0 h ARG 160 Cb 0.80 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.28 3fi0 h ARG 160 CO 0.07 0.95 -0.28 0.35 -1.51 0.00 0.00 179.97 179.55 3fi0 h PHE 161 N 0.81 0.74 -0.05 2.20 3.57 -1.14 -2.47 116.94 120.61 3fi0 h PHE 161 Ca 0.13 -0.23 -0.03 0.00 3.53 0.00 0.00 57.97 61.37 3fi0 h PHE 161 Cb 0.62 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3fi0 h PHE 161 CO 0.04 0.95 -0.11 -0.91 -2.23 0.00 0.00 178.31 176.05 3fi0 h ASN 162 N 0.32 0.07 0.09 0.41 2.35 -0.99 -1.07 115.58 116.76 3fi0 h ASN 162 Ca 0.03 -0.01 -0.25 0.00 -0.55 0.00 0.00 56.30 55.52 3fi0 h ASN 162 Cb 0.85 -0.02 0.02 0.00 0.05 0.00 0.00 38.32 39.22 3fi0 h ASN 162 CO 0.07 0.20 -1.03 0.11 -1.65 0.00 0.00 177.43 175.12 3fi0 h LYS 163 N 0.08 0.54 0.64 0.81 1.57 -1.33 -1.96 116.57 116.91 3fi0 h LYS 163 Ca 0.02 -0.70 -0.03 0.00 -1.87 0.00 0.00 60.65 58.06 3fi0 h LYS 163 Cb 0.25 0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.80 3fi0 h LYS 163 CO 0.02 1.30 -0.31 -0.09 -0.57 0.00 0.00 179.45 179.80 3fi0 h ARG 164 N 0.11 -0.83 0.00 3.15 1.12 -1.20 -3.38 114.38 113.34 3fi0 h ARG 164 Ca -0.15 0.06 0.00 0.00 -1.11 0.00 0.00 59.98 58.77 3fi0 h ARG 164 Cb 1.73 0.19 0.00 0.00 -0.01 0.00 0.00 29.97 31.88 3fi0 h ARG 164 CO 0.20 -0.55 -0.90 0.66 -3.11 0.00 0.00 179.97 176.27 3fi0 n TYR 165 N -5.03 0.24 0.00 2.20 4.02 -0.43 -5.07 117.16 113.10 3fi0 n TYR 165 Ca -0.11 0.07 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 3fi0 n TYR 165 Cb 0.34 -0.41 0.00 0.00 -0.02 0.00 0.00 39.34 39.25 3fi0 n TYR 165 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fi0 n GLY 166 N 1.39 2.91 3.64 2.72 0.00 -0.75 -4.99 105.19 110.12 3fi0 n GLY 166 Ca 0.03 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 3fi0 n GLY 166 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fi0 s GLU 167 N -3.62 4.05 0.00 1.61 2.12 -1.16 -4.25 118.70 117.44 3fi0 s GLU 167 Ca 0.00 1.33 0.00 0.00 0.36 0.00 0.00 54.97 56.66 3fi0 s GLU 167 Cb 0.00 -3.81 0.00 0.00 0.26 0.00 0.00 34.13 30.58 3fi0 s GLU 167 CO 0.00 -0.94 0.00 -0.11 -0.54 0.00 0.00 175.26 173.67 3fi0 n LEU 168 N 7.14 1.88 -4.91 2.70 0.00 -1.26 -5.07 117.00 117.48 3fi0 n LEU 168 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 56.01 55.86 3fi0 n LEU 168 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.85 3fi0 n LEU 168 CO 0.60 0.30 0.18 -0.36 0.00 0.00 0.00 177.39 178.11 3fi0 s PHE 169 N -1.93 3.48 -0.03 1.96 0.08 -1.26 -5.00 117.98 115.28 3fi0 s PHE 169 Ca 0.00 0.61 -0.16 0.00 0.12 0.00 0.00 56.93 57.51 3fi0 s PHE 169 Cb 0.00 -2.08 -0.05 0.00 -0.57 0.00 0.00 43.02 40.32 3fi0 s PHE 169 CO 0.00 0.20 0.42 0.99 -0.10 0.00 0.00 175.22 176.73 3fi0 s THR 170 N -2.06 5.06 -0.44 0.64 2.01 -1.26 -4.99 115.64 114.60 3fi0 s THR 170 Ca 0.43 0.87 -0.27 0.00 0.31 0.00 0.00 61.69 63.03 3fi0 s THR 170 Cb -0.11 -3.74 0.03 0.00 0.01 0.00 0.00 72.50 68.69 3fi0 s THR 170 CO 0.30 0.52 0.99 -0.63 -0.69 0.00 0.00 174.62 175.10 3fi0 s ILE 171 N -0.65 4.42 0.71 1.82 -1.09 -1.26 -4.83 121.20 120.33 3fi0 s ILE 171 Ca 0.24 1.00 -0.11 0.00 -2.23 0.00 0.00 60.65 59.55 3fi0 s ILE 171 Cb -0.16 -4.46 0.02 0.00 -1.58 0.00 0.00 42.46 36.28 3fi0 s ILE 171 CO 0.12 -0.81 1.10 -2.16 -1.23 0.00 0.00 174.94 171.97 3fi0 s PRO 172 N 3.88 2.75 0.27 2.79 0.04 -1.26 -4.90 135.00 138.58 3fi0 s PRO 172 Ca 0.40 0.41 0.05 0.00 0.04 0.00 0.00 61.00 61.90 3fi0 s PRO 172 Cb -0.10 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 3fi0 s PRO 172 CO 0.26 -1.09 -0.02 -1.83 0.04 0.00 0.00 177.00 174.35 3fi0 s GLU 173 N -5.38 1.50 -0.34 4.56 -1.05 -0.94 -4.90 118.70 112.16 3fi0 s GLU 173 Ca 0.58 -1.77 -0.09 0.00 -0.15 0.00 0.00 54.97 53.54 3fi0 s GLU 173 Cb -0.11 -0.95 0.02 0.00 -0.44 0.00 0.00 34.13 32.65 3fi0 s GLU 173 CO 0.51 -0.04 0.15 0.00 0.95 0.00 0.00 175.26 176.83 3fi0 s ALA 174 N -3.17 3.19 0.01 -0.84 0.00 -1.26 -0.81 121.76 118.86 3fi0 s ALA 174 Ca 0.30 -1.60 -0.29 0.00 0.00 0.00 0.00 51.96 50.37 3fi0 s ALA 174 Cb 0.05 -2.39 0.07 0.00 0.00 0.00 0.00 23.12 20.85 3fi0 s ALA 174 CO 0.11 -1.18 0.69 -0.98 0.00 0.00 0.00 175.76 174.40 3fi0 s ARG 175 N 1.52 1.08 -0.38 0.00 1.70 -0.41 -4.91 118.95 117.56 3fi0 s ARG 175 Ca 0.02 0.02 0.00 0.00 -0.47 0.00 0.00 55.73 55.30 3fi0 s ARG 175 Cb -0.18 0.51 0.11 0.00 -0.57 0.00 0.00 34.95 34.81 3fi0 s ARG 175 CO 0.05 -0.39 0.13 0.42 -1.08 0.00 0.00 175.30 174.43 3fi0 s ILE 176 N -2.00 2.80 0.14 4.99 1.01 -1.26 -2.78 121.20 124.10 3fi0 s ILE 176 Ca -0.06 -2.21 -0.33 0.00 0.00 0.00 0.00 60.65 58.04 3fi0 s ILE 176 Cb -0.00 -2.98 -0.13 0.00 0.01 0.00 0.00 42.46 39.35 3fi0 s ILE 176 CO 0.02 -0.65 1.65 -2.65 0.00 0.00 0.00 174.94 173.31 3fi0 n PRO 177 N 4.42 2.29 -3.54 2.79 -0.02 -1.26 -1.75 135.00 137.93 3fi0 n PRO 177 Ca 0.01 0.83 -0.21 0.00 -2.02 0.00 0.00 63.50 62.10 3fi0 n PRO 177 Cb 0.42 -2.62 0.08 0.00 -0.02 0.00 0.00 33.50 31.35 3fi0 n PRO 177 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3fi0 n LYS 178 N 3.95 -7.31 -1.64 -0.52 5.02 -1.26 -4.91 118.16 111.48 3fi0 n LYS 178 Ca 0.17 0.83 -0.48 0.00 -2.02 0.00 0.00 58.31 56.81 3fi0 n LYS 178 Cb 0.30 -5.86 -0.05 0.00 -0.02 0.00 0.00 35.03 29.41 3fi0 n LYS 178 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3fi0 n VAL 179 N -4.63 0.01 -1.46 -0.18 0.31 -0.72 -4.92 118.33 106.74 3fi0 n VAL 179 Ca -0.12 -0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.91 3fi0 n VAL 179 Cb 0.61 -1.29 0.20 0.00 -0.91 0.00 0.00 33.84 32.44 3fi0 n VAL 179 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3fi0 s GLY 180 N 0.75 1.65 0.36 2.92 0.00 -1.07 -5.01 107.32 106.92 3fi0 s GLY 180 Ca 0.80 -0.94 -0.28 0.00 0.00 0.00 0.00 44.72 44.31 3fi0 s GLY 180 CO 0.41 -0.16 1.31 0.00 0.00 0.00 0.00 173.10 174.66 3fi0 n ALA 181 N -4.22 1.44 -2.16 3.20 0.00 -1.26 -4.89 120.51 112.62 3fi0 n ALA 181 Ca 0.12 0.35 -0.43 0.00 0.00 0.00 0.00 53.44 53.48 3fi0 n ALA 181 Cb 0.59 -2.28 -0.02 0.00 0.00 0.00 0.00 19.45 17.74 3fi0 n ALA 181 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3fi0 s ARG 182 N -1.95 3.93 0.61 0.00 3.52 -1.26 -4.69 118.95 119.11 3fi0 s ARG 182 Ca 0.56 1.72 -0.02 0.00 -0.13 0.00 0.00 55.73 57.85 3fi0 s ARG 182 Cb -0.55 -3.98 0.04 0.00 -1.56 0.00 0.00 34.95 28.90 3fi0 s ARG 182 CO 0.62 -1.13 0.88 0.42 -0.81 0.00 0.00 175.30 175.28 3fi0 s ILE 183 N 4.72 2.56 0.18 4.11 -1.09 -1.26 -5.04 121.20 125.38 3fi0 s ILE 183 Ca 0.68 -0.47 -0.03 0.00 -2.23 0.00 0.00 60.65 58.60 3fi0 s ILE 183 Cb -0.25 -3.03 -0.05 0.00 -1.58 0.00 0.00 42.46 37.55 3fi0 s ILE 183 CO 0.27 -0.02 0.39 -0.55 -1.23 0.00 0.00 174.94 173.80 3fi0 s SER 185 N -4.46 6.44 0.25 3.58 0.15 0.28 -4.64 113.70 115.31 3fi0 s SER 185 Ca 0.58 0.51 0.24 0.00 0.70 0.00 0.00 55.95 57.98 3fi0 s SER 185 Cb -0.10 -2.06 0.40 0.00 -1.71 0.00 0.00 66.02 62.55 3fi0 s SER 185 CO 0.41 -0.00 1.48 -0.07 1.20 0.00 0.00 173.24 176.25 3fi0 h LEU 186 N 2.40 0.00 0.00 3.45 3.38 -1.20 -3.24 115.31 120.10 3fi0 h LEU 186 Ca -0.47 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.38 3fi0 h LEU 186 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3fi0 h LEU 186 CO 0.70 0.03 -1.94 1.33 0.09 0.00 0.00 178.44 178.65 3fi0 n VAL 187 N -2.55 0.27 -3.44 1.22 0.24 -1.26 -4.83 118.33 107.98 3fi0 n VAL 187 Ca 0.03 -0.50 -0.21 0.00 -2.04 0.00 0.00 64.34 61.62 3fi0 n VAL 187 Cb 0.48 -0.07 -0.11 0.00 -1.47 0.00 0.00 33.84 32.68 3fi0 n VAL 187 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3fi0 s ASP 188 N -4.40 2.20 0.00 -1.34 2.15 -1.25 -5.03 116.67 108.99 3fi0 s ASP 188 Ca -0.07 -1.05 0.04 0.00 0.43 0.00 0.00 52.55 51.89 3fi0 s ASP 188 Cb 0.11 0.24 0.25 0.00 -0.30 0.00 0.00 42.92 43.21 3fi0 s ASP 188 CO 0.78 -0.39 0.77 -0.81 -0.17 0.00 0.00 175.17 175.35 3fi0 n PRO 189 N 5.13 0.56 0.00 4.34 -0.04 -1.22 -1.56 135.00 142.21 3fi0 n PRO 189 Ca -0.01 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.54 3fi0 n PRO 189 Cb 0.45 -1.12 -0.04 0.00 -0.04 0.00 0.00 33.50 32.75 3fi0 n PRO 189 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3fi0 n THR 190 N -0.62 0.00 -4.50 0.52 -2.24 -1.26 -4.77 114.28 101.42 3fi0 n THR 190 Ca 0.03 -0.21 -0.34 0.00 -2.27 0.00 0.00 64.05 61.25 3fi0 n THR 190 Cb 0.01 1.15 -0.11 0.00 -2.10 0.00 0.00 70.33 69.29 3fi0 n THR 190 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3fi0 s LYS 191 N -2.39 2.99 0.00 -0.78 2.20 -0.60 -5.02 119.74 116.13 3fi0 s LYS 191 Ca 0.13 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 3fi0 s LYS 191 Cb 0.15 -2.72 0.00 0.00 -1.51 0.00 0.00 37.83 33.75 3fi0 s LYS 191 CO 0.59 0.61 0.00 1.17 -0.36 0.00 0.00 175.35 177.36 3fi0 n LYS 192 N 2.41 0.00 0.00 4.03 4.81 -1.26 0.10 118.16 128.25 3fi0 n LYS 192 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 3fi0 n LYS 192 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 3fi0 n LYS 192 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3fi0 n SER 194 N 0.00 0.00 0.03 3.14 2.88 -1.26 -4.29 113.62 114.11 3fi0 n SER 194 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 3fi0 n SER 194 Cb 0.00 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 63.79 3fi0 n SER 194 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 3fi0 n LYS 195 N -0.72 0.04 0.00 -1.46 2.85 -1.26 -1.55 118.16 116.05 3fi0 n LYS 195 Ca 0.00 0.30 0.14 0.00 -1.05 0.00 0.00 58.31 57.70 3fi0 n LYS 195 Cb 0.00 -1.58 0.45 0.00 -0.65 0.00 0.00 35.03 33.25 3fi0 n LYS 195 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3fi0 n SER 196 N -1.66 1.70 -4.75 -5.58 7.64 -1.26 -4.92 113.62 104.80 3fi0 n SER 196 Ca 0.03 -1.54 -0.39 0.00 1.01 0.00 0.00 58.87 57.98 3fi0 n SER 196 Cb 0.17 0.01 0.03 0.00 -1.01 0.00 0.00 64.21 63.42 3fi0 n SER 196 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3fi0 n ASP 197 N 0.30 2.96 0.03 6.43 -0.08 -0.60 -4.87 116.55 120.73 3fi0 n ASP 197 Ca 0.18 1.04 0.13 0.00 -1.51 0.00 0.00 54.79 54.63 3fi0 n ASP 197 Cb 0.39 -1.59 0.45 0.00 2.34 0.00 0.00 41.12 42.71 3fi0 n ASP 197 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3fi0 n PRO 198 N -0.68 0.08 -3.54 -0.67 -0.02 -1.26 -4.48 135.00 124.42 3fi0 n PRO 198 Ca 0.08 0.05 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 3fi0 n PRO 198 Cb 0.43 -1.57 -0.10 0.00 -0.02 0.00 0.00 33.50 32.24 3fi0 n PRO 198 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3fi0 s ASN 199 N -3.40 5.81 0.28 2.55 3.04 -1.26 -4.92 114.94 117.03 3fi0 s ASN 199 Ca 0.12 -1.30 0.20 0.00 0.04 0.00 0.00 52.86 51.91 3fi0 s ASN 199 Cb 0.17 -2.05 1.03 0.00 -1.54 0.00 0.00 41.25 38.86 3fi0 s ASN 199 CO 0.60 -0.52 1.61 -2.65 -3.04 0.00 0.00 177.10 173.10 3fi0 n PRO 200 N 5.02 0.13 0.03 0.43 -0.02 -1.26 -1.39 135.00 137.94 3fi0 n PRO 200 Ca -0.11 0.59 0.13 0.00 -2.02 0.00 0.00 63.50 62.09 3fi0 n PRO 200 Cb 0.44 -1.90 0.54 0.00 -0.02 0.00 0.00 33.50 32.56 3fi0 n PRO 200 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3fi0 n LYS 201 N -2.17 0.08 0.18 -0.52 5.02 -1.26 -3.58 118.16 115.91 3fi0 n LYS 201 Ca -0.01 0.08 0.07 0.00 -2.02 0.00 0.00 58.31 56.44 3fi0 n LYS 201 Cb 0.06 -1.60 0.14 0.00 -0.02 0.00 0.00 35.03 33.62 3fi0 n LYS 201 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fi0 h ALA 202 N 2.82 0.84 -2.24 7.82 0.00 -1.60 -3.40 119.26 123.50 3fi0 h ALA 202 Ca 0.00 -0.25 -0.44 0.00 0.00 0.00 0.00 54.91 54.22 3fi0 h ALA 202 Cb 0.55 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.15 3fi0 h ALA 202 CO 0.00 0.34 -0.73 1.52 0.00 0.00 0.00 179.25 180.38 3fi0 s TYR 203 N -3.14 1.67 -0.09 0.00 -0.85 -1.23 -0.83 117.35 112.87 3fi0 s TYR 203 Ca 0.05 -0.58 0.03 0.00 -0.52 0.00 0.00 57.07 56.05 3fi0 s TYR 203 Cb 0.07 -0.78 -0.01 0.00 0.38 0.00 0.00 41.96 41.62 3fi0 s TYR 203 CO 0.70 0.33 -0.20 0.42 -1.52 0.00 0.00 175.55 175.28 3fi0 s ILE 204 N -2.97 2.45 0.22 -3.49 1.01 -1.26 -4.98 121.20 112.19 3fi0 s ILE 204 Ca 0.22 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 3fi0 s ILE 204 Cb -0.01 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 3fi0 s ILE 204 CO 0.06 0.56 0.43 -0.89 0.00 0.00 0.00 174.94 175.10 3fi0 s THR 205 N 0.05 5.17 0.01 2.92 2.01 -1.26 -2.12 115.64 122.43 3fi0 s THR 205 Ca -0.08 -0.30 0.31 0.00 0.31 0.00 0.00 61.69 61.93 3fi0 s THR 205 Cb -0.15 -3.74 0.33 0.00 0.01 0.00 0.00 72.50 68.95 3fi0 s THR 205 CO 0.05 -0.22 1.94 -0.07 -0.69 0.00 0.00 174.62 175.63 3fi0 h LEU 206 N 1.88 0.00 -2.68 4.42 3.38 -2.00 -1.87 115.31 118.44 3fi0 h LEU 206 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3fi0 h LEU 206 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3fi0 h LEU 206 CO 0.67 0.00 0.00 0.18 0.09 0.00 0.00 178.44 179.38 3fi0 n LEU 207 N -2.70 3.32 -4.76 1.67 4.77 -1.26 -4.71 117.00 113.33 3fi0 n LEU 207 Ca -0.00 -1.87 -0.41 0.00 -0.03 0.00 0.00 56.01 53.70 3fi0 n LEU 207 Cb 0.18 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 3fi0 n LEU 207 CO 0.20 0.81 0.93 -1.81 -1.33 0.00 0.00 177.39 176.19 3fi0 s ASP 208 N -1.06 6.92 0.73 -1.43 1.01 -0.70 -5.01 116.67 117.13 3fi0 s ASP 208 Ca 0.34 2.54 -0.11 0.00 0.71 0.00 0.00 52.55 56.02 3fi0 s ASP 208 Cb 0.18 -2.64 0.03 0.00 1.01 0.00 0.00 42.92 41.50 3fi0 s ASP 208 CO 0.24 -0.43 1.09 1.51 0.21 0.00 0.00 175.17 177.79 3fi0 s ASP 209 N -0.48 5.22 0.51 0.27 1.47 -1.26 -4.75 116.67 117.66 3fi0 s ASP 209 Ca 0.49 1.24 0.27 0.00 1.18 0.00 0.00 52.55 55.73 3fi0 s ASP 209 Cb -0.37 -2.04 1.38 0.00 -0.34 0.00 0.00 42.92 41.54 3fi0 s ASP 209 CO 0.48 -1.50 1.90 0.00 0.68 0.00 0.00 175.17 176.73 3fi0 h ALA 210 N -0.76 2.63 -0.01 2.11 0.00 -1.96 0.46 119.26 121.73 3fi0 h ALA 210 Ca -0.45 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.28 3fi0 h ALA 210 Cb 1.25 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.09 3fi0 h ALA 210 CO 0.62 -0.87 -0.61 -0.22 0.00 0.00 0.00 179.25 178.16 3fi0 h LYS 211 N 0.09 0.43 -0.01 0.00 3.64 -1.99 -3.12 116.57 115.60 3fi0 h LYS 211 Ca 0.40 -0.45 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3fi0 h LYS 211 Cb 1.45 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 33.39 3fi0 h LYS 211 CO -0.04 1.11 -0.00 1.15 -2.27 0.00 0.00 179.45 179.39 3fi0 h THR 212 N -0.07 1.25 -0.68 1.00 2.02 -1.64 -0.58 112.91 114.20 3fi0 h THR 212 Ca -0.07 -0.75 0.15 0.00 0.77 0.00 0.00 66.41 66.50 3fi0 h THR 212 Cb 1.32 1.73 -0.12 0.00 -1.74 0.00 0.00 68.15 69.34 3fi0 h THR 212 CO 0.12 0.20 0.01 0.40 0.37 0.00 0.00 175.52 176.62 3fi0 h ILE 213 N -0.29 0.43 0.06 3.11 2.04 -1.08 0.11 117.51 121.90 3fi0 h ILE 213 Ca 0.00 -0.04 -0.24 0.00 1.00 0.00 0.00 64.86 65.58 3fi0 h ILE 213 Cb 0.32 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3fi0 h ILE 213 CO 0.00 0.02 -1.06 -0.08 0.00 0.00 0.00 178.15 177.03 3fi0 h GLU 214 N 0.12 0.29 0.37 2.37 4.81 -1.50 -2.10 114.58 118.94 3fi0 h GLU 214 Ca 0.36 -0.39 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3fi0 h GLU 214 Cb 0.61 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.12 3fi0 h GLU 214 CO -0.58 1.12 -0.18 0.87 -0.73 0.00 0.00 179.01 179.51 3fi0 h LYS 215 N 0.13 -0.48 -0.66 1.92 1.79 -0.51 -0.32 116.57 118.43 3fi0 h LYS 215 Ca -0.09 0.03 0.16 0.00 -2.18 0.00 0.00 60.65 58.57 3fi0 h LYS 215 Cb 1.74 0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 32.47 3fi0 h LYS 215 CO 0.17 -0.28 0.46 0.87 -1.08 0.00 0.00 179.45 179.59 3fi0 h LYS 216 N -0.56 0.21 0.10 3.15 1.57 -0.85 -1.88 116.57 118.31 3fi0 h LYS 216 Ca -0.05 -0.01 -0.27 0.00 -1.87 0.00 0.00 60.65 58.44 3fi0 h LYS 216 Cb 0.42 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 3fi0 h LYS 216 CO 0.08 0.14 -1.29 0.82 -0.57 0.00 0.00 179.45 178.63 3fi0 h ILE 217 N 0.21 1.43 0.00 1.86 1.08 -0.87 -3.26 117.51 117.96 3fi0 h ILE 217 Ca 0.32 -3.04 -0.06 0.00 -0.39 0.00 0.00 64.86 61.69 3fi0 h ILE 217 Cb 0.96 2.87 -0.01 0.00 -3.07 0.00 0.00 36.82 37.57 3fi0 h ILE 217 CO -0.06 0.87 -0.29 0.11 -0.69 0.00 0.00 178.15 178.10 3fi0 h LYS 218 N 0.06 0.00 -4.50 2.37 1.57 -0.33 -3.48 116.57 112.26 3fi0 h LYS 218 Ca -0.15 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 57.91 3fi0 h LYS 218 Cb 1.96 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 34.06 3fi0 h LYS 218 CO 0.18 0.29 0.10 -1.12 -0.57 0.00 0.00 179.45 178.32 3fi0 s SER 219 N -6.40 6.28 -0.10 0.86 0.01 -0.78 -5.10 113.70 108.47 3fi0 s SER 219 Ca -0.01 -1.69 0.06 0.00 1.31 0.00 0.00 55.95 55.63 3fi0 s SER 219 Cb 0.12 -2.28 -0.11 0.00 0.21 0.00 0.00 66.02 63.96 3fi0 s SER 219 CO 0.66 -1.00 -0.00 -1.20 0.41 0.00 0.00 173.24 172.10 3fi0 n SER 224 N 5.87 2.75 -0.14 2.44 7.64 -1.26 -4.91 113.62 126.00 3fi0 n SER 224 Ca -0.06 -0.02 -0.07 0.00 1.01 0.00 0.00 58.87 59.73 3fi0 n SER 224 Cb 0.43 0.49 -0.02 0.00 -1.01 0.00 0.00 64.21 64.10 3fi0 n SER 224 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3fi0 h GLU 225 N 0.00 -0.23 0.00 1.43 4.81 -2.07 -3.47 114.58 115.05 3fi0 h GLU 225 Ca -0.26 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3fi0 h GLU 225 Cb 1.55 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.98 3fi0 h GLU 225 CO -0.00 -0.15 0.00 0.41 -0.73 0.00 0.00 179.01 178.53 3fi0 n GLY 226 N -1.42 0.72 3.79 1.92 0.00 -1.26 -5.06 105.19 103.88 3fi0 n GLY 226 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3fi0 n GLY 226 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fi0 s THR 227 N -2.62 5.28 -1.28 2.61 -4.23 -1.26 -4.57 115.64 109.57 3fi0 s THR 227 Ca 0.00 0.54 -0.16 0.00 -1.18 0.00 0.00 61.69 60.89 3fi0 s THR 227 Cb 0.00 -3.59 0.11 0.00 1.34 0.00 0.00 72.50 70.35 3fi0 s THR 227 CO 0.00 0.50 1.67 -0.38 -0.54 0.00 0.00 174.62 175.87 3fi0 n ILE 228 N 2.72 4.04 -4.48 2.99 2.08 -1.26 -4.91 119.36 120.54 3fi0 n ILE 228 Ca -0.14 -4.27 -0.21 0.00 0.56 0.00 0.00 62.75 58.69 3fi0 n ILE 228 Cb 0.53 -2.41 -0.14 0.00 -0.75 0.00 0.00 39.64 36.87 3fi0 n ILE 228 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3fi0 s ARG 229 N 3.07 0.98 -0.39 0.38 3.52 -1.26 -4.55 118.95 120.71 3fi0 s ARG 229 Ca 0.49 -0.58 -0.26 0.00 -0.13 0.00 0.00 55.73 55.24 3fi0 s ARG 229 Cb 0.03 -0.97 0.02 0.00 -1.56 0.00 0.00 34.95 32.47 3fi0 s ARG 229 CO 0.04 0.25 0.96 -0.47 -0.81 0.00 0.00 175.30 175.28 3fi0 s TYR 230 N -0.54 3.04 0.00 5.12 6.14 -1.26 -4.53 117.35 125.32 3fi0 s TYR 230 Ca 0.03 0.77 0.00 0.00 0.64 0.00 0.00 57.07 58.51 3fi0 s TYR 230 Cb -0.06 -3.78 0.00 0.00 0.42 0.00 0.00 41.96 38.54 3fi0 s TYR 230 CO 0.00 -0.90 0.00 0.41 0.64 0.00 0.00 175.55 175.70 3fi0 n GLY 237 N 4.44 0.00 0.12 8.97 0.00 -1.26 -5.06 105.19 112.40 3fi0 n GLY 237 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 3fi0 n GLY 237 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3fi0 h ILE 238 N 0.00 1.51 0.00 -0.61 1.08 -1.97 -2.72 117.51 114.79 3fi0 h ILE 238 Ca 0.00 -2.72 -0.07 0.00 -0.39 0.00 0.00 64.86 61.68 3fi0 h ILE 238 Cb 0.00 2.54 -0.01 0.00 -3.07 0.00 0.00 36.82 36.28 3fi0 h ILE 238 CO 0.00 0.79 -0.33 0.28 -0.69 0.00 0.00 178.15 178.20 3fi0 h SER 239 N 0.10 0.00 -0.05 1.72 0.02 -1.98 -1.61 113.55 111.75 3fi0 h SER 239 Ca -0.05 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 3fi0 h SER 239 Cb 1.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.12 3fi0 h SER 239 CO 0.14 0.33 -0.22 -1.13 -1.14 0.00 0.00 176.83 174.81 3fi0 h ASN 240 N 0.00 0.28 -0.18 3.07 -1.24 -1.93 -2.50 115.58 113.08 3fi0 h ASN 240 Ca -0.00 -0.65 0.01 0.00 0.71 0.00 0.00 56.30 56.37 3fi0 h ASN 240 Cb 0.65 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.61 3fi0 h ASN 240 CO 0.04 0.88 0.12 -0.07 -1.29 0.00 0.00 177.43 177.11 3fi0 h LEU 241 N -0.30 0.19 -0.81 0.34 4.07 -1.38 0.13 115.31 117.54 3fi0 h LEU 241 Ca -0.01 -0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.84 3fi0 h LEU 241 Cb 0.87 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.55 3fi0 h LEU 241 CO 0.05 0.13 -0.23 -0.07 -1.08 0.00 0.00 178.44 177.24 3fi0 h LEU 242 N 0.22 0.64 -0.30 1.67 3.38 -1.27 0.20 115.31 119.85 3fi0 h LEU 242 Ca 0.07 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 3fi0 h LEU 242 Cb 0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3fi0 h LEU 242 CO -0.01 0.86 -0.23 0.78 0.09 0.00 0.00 178.44 179.93 3fi0 h ASN 243 N 0.56 0.72 -0.25 -0.43 2.35 -0.66 0.59 115.58 118.47 3fi0 h ASN 243 Ca 0.08 -0.45 -0.10 0.00 -0.55 0.00 0.00 56.30 55.28 3fi0 h ASN 243 Cb 0.69 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 3fi0 h ASN 243 CO 0.05 1.01 -0.24 0.40 -1.65 0.00 0.00 177.43 177.00 3fi0 h ILE 244 N 0.43 1.31 -0.28 2.81 2.04 -0.96 -2.08 117.51 120.78 3fi0 h ILE 244 Ca 0.06 -1.41 0.07 0.00 1.00 0.00 0.00 64.86 64.57 3fi0 h ILE 244 Cb 0.78 1.67 -0.07 0.00 -0.74 0.00 0.00 36.82 38.46 3fi0 h ILE 244 CO 0.06 0.44 -0.23 0.22 0.00 0.00 0.00 178.15 178.64 3fi0 h TYR 245 N 0.31 -0.62 -0.01 1.37 3.20 -0.65 -3.08 116.97 117.49 3fi0 h TYR 245 Ca 0.04 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 3fi0 h TYR 245 Cb 0.80 0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.39 3fi0 h TYR 245 CO 0.08 -0.31 -0.12 1.03 -1.64 0.00 0.00 178.16 177.19 3fi0 h SER 246 N -0.22 0.12 -0.53 -2.11 0.87 -0.62 -0.55 113.55 110.51 3fi0 h SER 246 Ca 0.15 -0.74 0.07 0.00 -1.23 0.00 0.00 61.79 60.04 3fi0 h SER 246 Cb 0.45 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.32 3fi0 h SER 246 CO -0.41 0.84 0.22 0.71 -0.53 0.00 0.00 176.83 177.67 3fi0 h THR 247 N -0.59 0.86 0.00 2.23 1.35 -1.53 -1.72 112.91 113.51 3fi0 h THR 247 Ca -0.01 -0.14 -0.13 0.00 -0.55 0.00 0.00 66.41 65.57 3fi0 h THR 247 Cb 0.86 0.40 -0.02 0.00 -1.73 0.00 0.00 68.15 67.66 3fi0 h THR 247 CO 0.02 0.08 -0.62 -0.07 -0.25 0.00 0.00 175.52 174.68 3fi0 h LEU 248 N 0.42 0.00 0.00 3.87 3.38 -1.41 -3.28 115.31 118.29 3fi0 h LEU 248 Ca 0.25 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.95 3fi0 h LEU 248 Cb 0.24 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3fi0 h LEU 248 CO -0.23 0.62 -1.84 -1.54 0.09 0.00 0.00 178.44 175.55 3fi0 n SER 249 N -3.80 0.60 0.00 -0.43 3.41 -0.23 -4.96 113.62 108.22 3fi0 n SER 249 Ca -0.01 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 3fi0 n SER 249 Cb 0.62 0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 3fi0 n SER 249 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fi0 n GLY 250 N 1.56 2.52 3.72 5.00 0.00 -0.66 -5.05 105.19 112.28 3fi0 n GLY 250 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 3fi0 n GLY 250 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fi0 s GLN 251 N -0.90 -0.81 0.22 1.61 -0.21 -1.23 -5.01 119.66 113.33 3fi0 s GLN 251 Ca 0.00 -0.33 0.10 0.00 0.02 0.00 0.00 55.36 55.15 3fi0 s GLN 251 Cb 0.00 -1.67 -0.04 0.00 1.00 0.00 0.00 33.01 32.30 3fi0 s GLN 251 CO 0.00 -3.39 -0.10 -1.54 -2.12 0.00 0.00 175.29 168.14 3fi0 s SER 252 N -4.38 4.16 0.13 5.90 1.04 -1.26 -4.60 113.70 114.68 3fi0 s SER 252 Ca 0.74 -0.70 -0.19 0.00 0.48 0.00 0.00 55.95 56.28 3fi0 s SER 252 Cb -0.05 -0.65 -0.03 0.00 0.10 0.00 0.00 66.02 65.39 3fi0 s SER 252 CO 0.55 0.06 1.74 0.40 0.98 0.00 0.00 173.24 176.97 3fi0 h ILE 253 N 2.45 0.92 -0.97 -1.02 2.04 -1.94 0.21 117.51 119.20 3fi0 h ILE 253 Ca -0.45 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.41 3fi0 h ILE 253 Cb 1.23 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 38.01 3fi0 h ILE 253 CO 0.56 0.03 0.63 -0.33 0.00 0.00 0.00 178.15 179.04 3fi0 h GLU 254 N 0.14 1.15 -0.13 2.37 3.07 -1.99 0.51 114.58 119.70 3fi0 h GLU 254 Ca 0.09 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 58.83 3fi0 h GLU 254 Cb 0.08 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 27.72 3fi0 h GLU 254 CO -0.12 0.76 -0.18 1.49 -1.40 0.00 0.00 179.01 179.57 3fi0 h GLU 255 N 1.19 0.20 0.00 2.33 4.81 -1.62 -2.88 114.58 118.61 3fi0 h GLU 255 Ca 0.40 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.46 3fi0 h GLU 255 Cb 0.07 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 3fi0 h GLU 255 CO -0.14 0.39 -1.35 1.28 -0.73 0.00 0.00 179.01 178.46 3fi0 n LEU 256 N -4.24 0.80 0.03 1.64 4.77 0.62 -2.05 117.00 118.57 3fi0 n LEU 256 Ca -0.01 0.34 0.01 0.00 -0.03 0.00 0.00 56.01 56.32 3fi0 n LEU 256 Cb 0.30 0.04 0.35 0.00 -2.33 0.00 0.00 43.42 41.78 3fi0 n LEU 256 CO 0.38 0.05 0.97 -0.33 -1.33 0.00 0.00 177.39 177.14 3fi0 h GLU 257 N 0.00 0.45 0.05 3.23 5.08 -0.84 -2.77 114.58 119.78 3fi0 h GLU 257 Ca -0.12 -0.08 -0.25 0.00 -1.00 0.00 0.00 59.36 57.91 3fi0 h GLU 257 Cb 1.41 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.60 3fi0 h GLU 257 CO 0.03 0.46 -1.07 0.00 -1.00 0.00 0.00 179.01 177.43 3fi0 h ARG 258 N 0.44 0.45 -0.06 2.33 3.08 -1.45 -3.30 114.38 115.87 3fi0 h ARG 258 Ca 0.10 -0.55 -0.04 0.00 0.07 0.00 0.00 59.98 59.56 3fi0 h ARG 258 Cb 0.25 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3fi0 h ARG 258 CO 0.00 1.20 -0.16 0.37 -1.07 0.00 0.00 179.97 180.31 3fi0 h GLN 259 N 0.22 0.09 -0.84 0.04 4.15 -1.23 -3.09 115.11 114.45 3fi0 h GLN 259 Ca -0.12 -0.02 -0.57 0.00 0.77 0.00 0.00 58.65 58.71 3fi0 h GLN 259 Cb 1.73 -0.01 -0.41 0.00 0.21 0.00 0.00 27.48 29.00 3fi0 h GLN 259 CO 0.19 0.25 -0.56 0.66 -1.93 0.00 0.00 178.83 177.44 3fi0 n TYR 260 N -4.31 2.86 -0.05 3.99 4.01 -1.06 -4.90 117.16 117.70 3fi0 n TYR 260 Ca -0.02 -2.38 -0.14 0.00 -0.16 0.00 0.00 57.90 55.20 3fi0 n TYR 260 Cb 0.25 -0.49 -0.07 0.00 -0.31 0.00 0.00 39.34 38.72 3fi0 n TYR 260 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3fi0 h GLU 261 N 2.19 0.46 -0.47 -0.72 4.57 -1.61 -1.80 114.58 117.20 3fi0 h GLU 261 Ca 0.40 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 3fi0 h GLU 261 Cb 1.39 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.02 3fi0 h GLU 261 CO 0.89 0.91 0.00 0.41 -1.18 0.00 0.00 179.01 180.04 3fi0 n GLY 262 N 0.44 1.37 3.84 1.92 0.00 -1.26 -4.88 105.19 106.61 3fi0 n GLY 262 Ca -0.07 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 3fi0 n GLY 262 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fi0 s LYS 263 N -1.38 2.71 0.54 1.61 1.02 -0.68 -5.12 119.74 118.43 3fi0 s LYS 263 Ca 0.36 -1.30 0.07 0.00 0.02 0.00 0.00 55.97 55.12 3fi0 s LYS 263 Cb 0.19 -2.45 0.07 0.00 -0.52 0.00 0.00 37.83 35.12 3fi0 s LYS 263 CO 0.26 0.13 0.56 0.41 -0.92 0.00 0.00 175.35 175.78 3fi0 n GLY 264 N -1.33 2.42 0.21 -3.33 0.00 -1.26 -4.47 105.19 97.43 3fi0 n GLY 264 Ca -0.03 -2.26 -0.05 0.00 0.00 0.00 0.00 46.02 43.68 3fi0 n GLY 264 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3fi0 h TYR 265 N 0.42 0.52 -0.22 1.61 0.05 -1.98 -3.09 116.97 114.28 3fi0 h TYR 265 Ca -0.30 -0.15 0.05 0.00 0.05 0.00 0.00 58.73 58.38 3fi0 h TYR 265 Cb 1.22 -0.11 -0.05 0.00 1.01 0.00 0.00 36.73 38.79 3fi0 h TYR 265 CO 0.00 0.79 -0.11 0.78 -1.05 0.00 0.00 178.16 178.57 3fi0 h GLY 266 N 1.13 0.08 1.18 3.88 0.00 -1.98 0.40 103.07 107.75 3fi0 h GLY 266 Ca 0.03 0.14 -0.19 0.00 0.00 0.00 0.00 47.33 47.31 3fi0 h GLY 266 CO 0.07 -0.13 -0.60 -0.39 0.00 0.00 0.00 176.54 175.50 3fi0 h VAL 267 N -0.08 1.28 -0.90 4.60 -1.51 -1.99 -1.96 116.25 115.68 3fi0 h VAL 267 Ca 0.12 -1.78 -0.02 0.00 -1.23 0.00 0.00 66.70 63.79 3fi0 h VAL 267 Cb 0.27 1.70 -0.04 0.00 -2.13 0.00 0.00 31.29 31.09 3fi0 h VAL 267 CO -0.28 0.58 0.49 0.15 -1.23 0.00 0.00 177.57 177.28 3fi0 h PHE 268 N 0.64 1.24 -0.09 5.19 3.57 -1.41 0.07 116.94 126.14 3fi0 h PHE 268 Ca 0.00 -0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.31 3fi0 h PHE 268 Cb 1.21 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 3fi0 h PHE 268 CO 0.07 0.86 -0.60 0.87 -2.23 0.00 0.00 178.31 177.28 3fi0 h LYS 269 N 1.26 0.32 -0.09 1.11 1.57 -0.17 -0.96 116.57 119.61 3fi0 h LYS 269 Ca 0.32 -0.22 -0.19 0.00 -1.87 0.00 0.00 60.65 58.69 3fi0 h LYS 269 Cb 0.04 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3fi0 h LYS 269 CO -0.05 0.83 -0.73 0.00 -0.57 0.00 0.00 179.45 178.92 3fi0 h ALA 270 N 1.12 0.55 -0.32 3.86 0.00 -0.95 -1.26 119.26 122.26 3fi0 h ALA 270 Ca -0.01 -0.60 -0.14 0.00 0.00 0.00 0.00 54.91 54.16 3fi0 h ALA 270 Cb 1.12 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3fi0 h ALA 270 CO 0.10 0.75 -0.36 -0.44 0.00 0.00 0.00 179.25 179.29 3fi0 h ASP 271 N 0.32 0.88 -0.60 0.00 3.32 -0.91 -3.09 116.42 116.34 3fi0 h ASP 271 Ca -0.03 -0.48 -0.09 0.00 0.02 0.00 0.00 57.03 56.44 3fi0 h ASP 271 Cb 1.32 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 3fi0 h ASP 271 CO 0.13 1.18 0.01 0.25 -1.72 0.00 0.00 179.24 179.09 3fi0 h LEU 272 N 0.59 1.03 -1.25 1.55 5.85 -1.15 -2.71 115.31 119.22 3fi0 h LEU 272 Ca 0.05 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.53 3fi0 h LEU 272 Cb 0.95 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 3fi0 h LEU 272 CO 0.09 1.08 0.54 0.00 -0.34 0.00 0.00 178.44 179.81 3fi0 h ALA 273 N 0.99 1.60 -0.30 1.25 0.00 -1.21 -2.29 119.26 119.30 3fi0 h ALA 273 Ca 0.17 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 3fi0 h ALA 273 Cb 0.54 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3fi0 h ALA 273 CO 0.03 0.27 -0.43 1.96 0.00 0.00 0.00 179.25 181.08 3fi0 h GLN 274 N 0.90 0.75 0.00 0.00 1.08 -1.41 -1.36 115.11 115.08 3fi0 h GLN 274 Ca 0.35 -0.41 -0.07 0.00 -1.45 0.00 0.00 58.65 57.08 3fi0 h GLN 274 Cb 0.23 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 3fi0 h GLN 274 CO -0.13 1.03 -0.33 -0.39 -0.95 0.00 0.00 178.83 178.07 3fi0 h VAL 275 N 0.61 0.92 0.02 -0.54 -1.51 -1.15 -0.42 116.25 114.17 3fi0 h VAL 275 Ca 0.04 -1.27 -0.00 0.00 -1.23 0.00 0.00 66.70 64.24 3fi0 h VAL 275 Cb 0.98 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.90 3fi0 h VAL 275 CO 0.09 0.32 -0.01 0.58 -1.23 0.00 0.00 177.57 177.32 3fi0 h VAL 276 N 0.00 1.49 -0.83 7.19 2.07 -1.25 -2.14 116.25 122.77 3fi0 h VAL 276 Ca -0.00 -1.79 0.05 0.00 0.82 0.00 0.00 66.70 65.78 3fi0 h VAL 276 Cb 0.73 2.66 -0.05 0.00 -1.52 0.00 0.00 31.29 33.12 3fi0 h VAL 276 CO 0.04 0.45 0.55 0.40 0.02 0.00 0.00 177.57 179.02 3fi0 h ILE 277 N -0.83 1.08 0.00 4.57 5.03 -1.20 -0.76 117.51 125.41 3fi0 h ILE 277 Ca -0.00 -0.33 -0.07 0.00 -0.12 0.00 0.00 64.86 64.34 3fi0 h ILE 277 Cb 0.75 0.03 -0.01 0.00 -3.03 0.00 0.00 36.82 34.56 3fi0 h ILE 277 CO 0.00 0.18 -0.31 -0.08 -0.68 0.00 0.00 178.15 177.26 3fi0 h GLU 278 N 0.96 0.00 0.07 2.37 4.57 -1.10 -0.51 114.58 120.95 3fi0 h GLU 278 Ca 0.35 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 58.25 3fi0 h GLU 278 Cb 0.15 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 3fi0 h GLU 278 CO -0.12 0.31 -1.45 1.15 -1.18 0.00 0.00 179.01 177.73 3fi0 h THR 279 N 0.00 1.22 0.00 0.32 2.02 -0.49 -3.38 112.91 112.60 3fi0 h THR 279 Ca -0.00 -2.92 -0.24 0.00 0.77 0.00 0.00 66.41 64.02 3fi0 h THR 279 Cb 0.69 2.71 -0.04 0.00 -1.74 0.00 0.00 68.15 69.77 3fi0 h THR 279 CO 0.04 0.79 -1.55 -0.07 0.37 0.00 0.00 175.52 175.10 3fi0 h LEU 280 N 0.04 0.00 -0.54 2.58 3.38 -1.12 -3.39 115.31 116.26 3fi0 h LEU 280 Ca -0.20 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.88 3fi0 h LEU 280 Cb 1.96 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.60 3fi0 h LEU 280 CO 0.14 0.83 -0.26 -0.09 0.09 0.00 0.00 178.44 179.15 3fi0 h ARG 281 N 0.00 -0.12 0.00 1.13 2.43 -1.26 -0.38 114.38 116.17 3fi0 h ARG 281 Ca -0.23 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3fi0 h ARG 281 Cb 1.83 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.41 3fi0 h ARG 281 CO 0.07 -0.08 0.00 -1.00 -1.51 0.00 0.00 179.97 177.45 3fi0 h PRO 282 N -0.13 0.00 0.05 0.20 0.13 -1.80 -2.14 132.00 128.31 3fi0 h PRO 282 Ca 0.24 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.14 3fi0 h PRO 282 Cb 0.51 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 3fi0 h PRO 282 CO -0.62 0.00 -1.04 0.82 -0.23 0.00 0.00 178.00 176.93 3fi0 h ILE 283 N 0.00 1.51 -0.01 -3.56 2.04 -1.48 -2.85 117.51 113.15 3fi0 h ILE 283 Ca 0.00 -2.85 -0.22 0.00 1.00 0.00 0.00 64.86 62.79 3fi0 h ILE 283 Cb 0.81 2.68 0.00 0.00 -0.74 0.00 0.00 36.82 39.57 3fi0 h ILE 283 CO 0.00 0.83 -0.91 1.56 0.00 0.00 0.00 178.15 179.63 3fi0 h GLN 284 N 0.10 0.41 0.19 2.37 4.20 -1.05 -0.16 115.11 121.18 3fi0 h GLN 284 Ca -0.08 -0.43 -0.00 0.00 0.06 0.00 0.00 58.65 58.20 3fi0 h GLN 284 Cb 1.72 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.61 3fi0 h GLN 284 CO 0.16 1.09 -0.14 0.93 -0.67 0.00 0.00 178.83 180.20 3fi0 h GLU 285 N 0.24 -0.33 -0.37 1.46 5.08 -1.42 -0.42 114.58 118.82 3fi0 h GLU 285 Ca -0.07 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3fi0 h GLU 285 Cb 1.54 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 3fi0 h GLU 285 CO 0.16 -0.22 0.08 0.00 -1.00 0.00 0.00 179.01 178.03 3fi0 h ARG 286 N -0.34 0.60 -0.64 2.33 3.08 -1.52 -2.45 114.38 115.42 3fi0 h ARG 286 Ca -0.01 -0.15 0.09 0.00 0.07 0.00 0.00 59.98 59.98 3fi0 h ARG 286 Cb 0.30 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.21 3fi0 h ARG 286 CO -0.01 0.64 0.29 -0.92 -1.07 0.00 0.00 179.97 178.91 3fi0 h TYR 287 N 0.45 0.52 -0.51 3.04 3.20 -0.83 -0.12 116.97 122.72 3fi0 h TYR 287 Ca 0.12 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 3fi0 h TYR 287 Cb 0.32 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 3fi0 h TYR 287 CO 0.02 0.18 0.15 0.45 -1.64 0.00 0.00 178.16 177.32 3fi0 h HIS 288 N 0.51 0.83 -0.86 -3.82 3.86 -0.96 -2.93 115.15 111.78 3fi0 h HIS 288 Ca 0.32 -0.09 0.02 0.00 -1.16 0.00 0.00 60.37 59.46 3fi0 h HIS 288 Cb 0.34 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 28.52 3fi0 h HIS 288 CO -0.13 0.72 0.56 0.45 0.86 0.00 0.00 177.93 180.39 3fi0 h HIS 289 N 0.70 1.06 0.00 2.45 3.86 -0.81 -2.48 115.15 119.93 3fi0 h HIS 289 Ca 0.16 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 3fi0 h HIS 289 Cb 0.29 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.40 3fi0 h HIS 289 CO 0.02 0.63 0.00 0.91 0.86 0.00 0.00 177.93 180.35 3fi0 n TRP 290 N -4.52 0.00 0.00 2.45 7.02 -0.15 -2.41 117.44 119.83 3fi0 n TRP 290 Ca 0.10 -0.13 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 3fi0 n TRP 290 Cb 0.06 -0.14 0.00 0.00 -2.42 0.00 0.00 31.31 28.81 3fi0 n TRP 290 CO 0.00 0.00 0.00 -0.85 -2.02 0.00 0.00 177.69 174.82 3fi0 n GLU 292 N 0.89 0.00 -4.42 -0.99 0.28 -0.93 -4.57 120.64 110.89 3fi0 n GLU 292 Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.77 3fi0 n GLU 292 Cb 0.13 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.90 3fi0 n GLU 292 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3fi0 s SER 293 N 0.00 3.28 0.00 -1.84 0.15 -1.01 -5.03 113.70 109.25 3fi0 s SER 293 Ca 0.00 -0.99 0.18 0.00 0.70 0.00 0.00 55.95 55.85 3fi0 s SER 293 Cb 0.00 -0.25 0.09 0.00 -1.71 0.00 0.00 66.02 64.16 3fi0 s SER 293 CO 0.00 0.00 1.03 -1.84 1.20 0.00 0.00 173.24 173.63 3fi0 n GLU 294 N -0.35 1.59 0.15 5.44 0.28 -1.26 -3.99 120.64 122.50 3fi0 n GLU 294 Ca -0.08 -1.35 0.13 0.00 -0.16 0.00 0.00 57.16 55.70 3fi0 n GLU 294 Cb 0.59 -1.35 0.52 0.00 1.43 0.00 0.00 31.44 32.63 3fi0 n GLU 294 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 3fi0 h GLU 295 N 3.08 0.00 -0.01 3.44 4.57 -1.96 -2.88 114.58 120.82 3fi0 h GLU 295 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3fi0 h GLU 295 Cb 0.72 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 3fi0 h GLU 295 CO 0.00 0.00 -0.06 1.25 -1.18 0.00 0.00 179.01 179.02 3fi0 h LEU 296 N 0.00 0.07 -1.72 1.64 5.85 -1.81 -1.63 115.31 117.71 3fi0 h LEU 296 Ca 0.00 -0.70 -0.04 0.00 0.84 0.00 0.00 57.88 57.98 3fi0 h LEU 296 Cb 0.39 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3fi0 h LEU 296 CO 0.00 0.76 -0.17 0.44 -0.34 0.00 0.00 178.44 179.13 3fi0 h ASP 297 N -0.62 0.00 0.97 1.25 3.45 -1.77 -2.58 116.42 117.12 3fi0 h ASP 297 Ca -0.01 0.00 -0.21 0.00 0.43 0.00 0.00 57.03 57.25 3fi0 h ASP 297 Cb 0.76 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.50 3fi0 h ASP 297 CO 0.01 0.17 -0.98 0.03 -1.57 0.00 0.00 179.24 176.90 3fi0 h ARG 298 N 0.00 0.01 0.00 3.56 3.08 -1.49 -2.73 114.38 116.81 3fi0 h ARG 298 Ca -0.00 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 3fi0 h ARG 298 Cb 0.41 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3fi0 h ARG 298 CO 0.02 0.98 -0.52 0.28 -1.07 0.00 0.00 179.97 179.67 3fi0 h VAL 299 N 0.00 1.16 0.00 2.04 2.07 -0.90 -2.60 116.25 118.02 3fi0 h VAL 299 Ca -0.01 -1.92 -0.15 0.00 0.82 0.00 0.00 66.70 65.44 3fi0 h VAL 299 Cb 1.73 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 33.58 3fi0 h VAL 299 CO 0.13 0.51 -0.81 -0.07 0.02 0.00 0.00 177.57 177.34 3fi0 h LEU 300 N 0.00 0.00 -0.07 2.57 3.38 -1.51 -2.30 115.31 117.37 3fi0 h LEU 300 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3fi0 h LEU 300 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3fi0 h LEU 300 CO 0.07 0.67 -0.14 0.44 0.09 0.00 0.00 178.44 179.56 3fi0 h ASP 301 N 0.00 0.24 -0.32 -0.43 3.32 -1.37 -0.96 116.42 116.90 3fi0 h ASP 301 Ca -0.04 -0.57 0.05 0.00 0.02 0.00 0.00 57.03 56.49 3fi0 h ASP 301 Cb 1.54 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 40.98 3fi0 h ASP 301 CO 0.08 0.77 0.04 -0.33 -1.72 0.00 0.00 179.24 178.08 3fi0 h GLU 302 N -0.27 0.15 -0.05 3.56 4.39 -1.54 -0.20 114.58 120.61 3fi0 h GLU 302 Ca 0.00 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.72 3fi0 h GLU 302 Cb 0.73 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 3fi0 h GLU 302 CO 0.03 0.10 -0.11 0.78 -1.16 0.00 0.00 179.01 178.65 3fi0 h GLY 303 N 0.15 -0.08 1.74 -3.84 0.00 -1.37 0.29 103.07 99.96 3fi0 h GLY 303 Ca 0.15 0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.57 3fi0 h GLY 303 CO -0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 176.54 176.18 3fi0 h ALA 304 N 0.86 1.55 -0.11 3.60 0.00 -0.92 -1.18 119.26 123.06 3fi0 h ALA 304 Ca 0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3fi0 h ALA 304 Cb 0.23 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3fi0 h ALA 304 CO -0.14 0.33 -0.04 1.49 0.00 0.00 0.00 179.25 180.88 3fi0 h GLU 305 N 0.32 0.23 -0.53 0.00 4.81 -0.40 0.22 114.58 119.23 3fi0 h GLU 305 Ca 0.07 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 3fi0 h GLU 305 Cb 0.27 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3fi0 h GLU 305 CO 0.01 0.56 -0.12 0.87 -0.73 0.00 0.00 179.01 179.60 3fi0 h LYS 306 N -0.11 1.00 -0.13 1.92 1.57 -0.79 -2.49 116.57 117.53 3fi0 h LYS 306 Ca 0.03 -0.37 -0.03 0.00 -1.87 0.00 0.00 60.65 58.40 3fi0 h LYS 306 Cb 0.48 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 3fi0 h LYS 306 CO 0.01 1.05 -0.05 0.00 -0.57 0.00 0.00 179.45 179.90 3fi0 h ALA 307 N 0.96 0.19 -0.50 3.86 0.00 -1.21 -2.97 119.26 119.59 3fi0 h ALA 307 Ca 0.14 -0.25 0.15 0.00 0.00 0.00 0.00 54.91 54.95 3fi0 h ALA 307 Cb 0.68 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3fi0 h ALA 307 CO 0.05 -0.04 0.37 -0.91 0.00 0.00 0.00 179.25 178.72 3fi0 h ASN 308 N -0.06 0.00 0.11 0.00 -0.26 -0.50 0.11 115.58 114.99 3fi0 h ASN 308 Ca 0.03 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.77 3fi0 h ASN 308 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.76 3fi0 h ASN 308 CO 0.02 0.00 -0.05 -0.09 -1.06 0.00 0.00 177.43 176.24 3fi0 h ARG 309 N 0.00 -0.14 0.07 0.81 2.43 -1.29 -0.05 114.38 116.21 3fi0 h ARG 309 Ca 0.24 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3fi0 h ARG 309 Cb 0.98 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 3fi0 h ARG 309 CO -0.00 0.35 -0.03 0.28 -1.51 0.00 0.00 179.97 179.06 3fi0 h VAL 310 N -0.78 1.06 0.20 0.20 2.07 -1.37 -2.77 116.25 114.86 3fi0 h VAL 310 Ca -0.01 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3fi0 h VAL 310 Cb 0.56 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3fi0 h VAL 310 CO 0.02 0.11 -0.09 0.00 0.02 0.00 0.00 177.57 177.63 3fi0 h ALA 311 N 0.63 -0.26 -1.01 1.67 0.00 -1.10 -2.92 119.26 116.27 3fi0 h ALA 311 Ca -0.01 -0.10 0.24 0.00 0.00 0.00 0.00 54.91 55.04 3fi0 h ALA 311 Cb 0.25 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.04 3fi0 h ALA 311 CO 0.02 -0.59 0.64 1.03 0.00 0.00 0.00 179.25 180.34 3fi0 h SER 312 N -0.38 0.54 0.00 0.00 0.87 -1.05 -1.24 113.55 112.30 3fi0 h SER 312 Ca -0.03 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3fi0 h SER 312 Cb 0.29 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 3fi0 h SER 312 CO 0.04 0.14 0.00 1.21 -0.53 0.00 0.00 176.83 177.69 3fi0 n GLU 313 N -4.67 0.69 0.00 2.24 4.07 -1.05 -2.20 120.64 119.72 3fi0 n GLU 313 Ca 0.24 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.34 3fi0 n GLU 313 Cb 0.77 -1.20 0.00 0.00 -0.06 0.00 0.00 31.44 30.96 3fi0 n GLU 313 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3fi0 n VAL 315 N 0.54 0.00 -0.18 6.31 0.31 -0.47 -1.62 118.33 123.23 3fi0 n VAL 315 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 3fi0 n VAL 315 Cb 0.31 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.29 3fi0 n VAL 315 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3fi0 h ARG 316 N 0.00 0.54 -1.11 5.55 2.43 -1.70 0.13 114.38 120.22 3fi0 h ARG 316 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3fi0 h ARG 316 Cb 0.00 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3fi0 h ARG 316 CO 0.00 0.36 0.00 1.63 -1.51 0.00 0.00 179.97 180.45 3fi0 n LYS 317 N -4.85 0.44 0.00 0.20 5.02 -0.64 -1.62 118.16 116.72 3fi0 n LYS 317 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 3fi0 n LYS 317 Cb 0.12 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 3fi0 n LYS 317 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3fi0 n GLU 319 N 0.58 0.00 0.03 1.97 1.02 0.45 -2.20 120.64 122.49 3fi0 n GLU 319 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 3fi0 n GLU 319 Cb 0.18 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.65 3fi0 n GLU 319 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 3fi0 h GLN 320 N 0.00 0.46 -0.42 3.49 4.15 -1.53 0.13 115.11 121.39 3fi0 h GLN 320 Ca 0.00 -0.33 0.00 0.00 0.77 0.00 0.00 58.65 59.09 3fi0 h GLN 320 Cb 0.00 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.74 3fi0 h GLN 320 CO 0.00 0.94 0.00 0.00 -1.93 0.00 0.00 178.83 177.84 3fi0 n ALA 321 N -2.51 1.78 -1.91 3.38 0.00 -0.93 -4.80 120.51 115.52 3fi0 n ALA 321 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3fi0 n ALA 321 Cb 0.65 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.10 3fi0 n ALA 321 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fi0 n GLY 323 N 0.21 0.59 3.70 0.00 0.00 0.14 -4.96 105.19 104.87 3fi0 n GLY 323 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3fi0 n GLY 323 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fi0 s LEU 324 N 0.00 4.34 0.00 0.99 1.43 0.21 -4.85 118.68 120.80 3fi0 s LEU 324 Ca 0.00 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 3fi0 s LEU 324 Cb 0.00 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.65 3fi0 s LEU 324 CO 0.00 -0.49 0.00 0.61 0.23 0.00 0.00 176.35 176.70 3fi0 n GLY 325 N 3.24 2.98 0.00 -3.19 0.00 -1.26 -4.64 105.19 102.31 3fi0 n GLY 325 Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3fi0 n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86