#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fl1 s ALA 5 N 0.00 3.30 0.00 7.33 0.00 -1.05 -3.76 121.76 127.58 2fl1 s ALA 5 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2fl1 s ALA 5 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2fl1 s ALA 5 CO 0.00 0.04 0.00 0.72 0.00 0.00 0.00 175.76 176.52 2fl1 n HIS 6 N 2.58 0.00 0.00 0.00 -0.00 -1.26 -0.84 115.22 115.70 2fl1 n HIS 6 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2fl1 n HIS 6 Cb 0.49 -1.78 0.00 0.00 -0.00 0.00 0.00 29.99 28.70 2fl1 n HIS 6 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2fl1 n GLY 7 N 0.13 0.42 3.88 -1.41 0.00 -1.25 -1.73 105.19 105.23 2fl1 n GLY 7 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2fl1 n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fl1 s LEU 8 N 0.00 4.28 0.42 0.99 1.43 -0.02 -4.79 118.68 120.99 2fl1 s LEU 8 Ca 0.00 0.31 0.05 0.00 -1.03 0.00 0.00 54.13 53.46 2fl1 s LEU 8 Cb 0.00 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.65 2fl1 s LEU 8 CO 0.00 0.27 0.03 0.42 0.23 0.00 0.00 176.35 177.30 2fl1 s THR 9 N -1.28 1.50 -2.00 5.49 -4.23 -1.26 -2.54 115.64 111.32 2fl1 s THR 9 Ca 0.26 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.90 2fl1 s THR 9 Cb -0.12 -2.69 0.37 0.00 1.34 0.00 0.00 72.50 71.39 2fl1 s THR 9 CO 0.17 0.00 1.31 -0.90 -0.54 0.00 0.00 174.62 174.66 2fl1 n ASP 10 N -1.02 0.00 -3.18 3.99 5.68 -1.26 -4.33 116.55 116.43 2fl1 n ASP 10 Ca -0.08 -1.09 0.02 0.00 -0.50 0.00 0.00 54.79 53.13 2fl1 n ASP 10 Cb 0.67 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.64 2fl1 n ASP 10 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2fl1 s ASP 11 N -1.65 -1.49 0.33 -1.12 3.68 -1.26 -4.46 116.67 110.69 2fl1 s ASP 11 Ca 0.19 -0.60 0.03 0.00 2.13 0.00 0.00 52.55 54.29 2fl1 s ASP 11 Cb 0.09 1.91 0.03 0.00 -1.45 0.00 0.00 42.92 43.49 2fl1 s ASP 11 CO 0.15 -0.18 0.21 0.23 0.13 0.00 0.00 175.17 175.70 2fl1 n MET 12 N 4.54 1.03 -4.31 4.34 2.81 -0.59 -4.97 117.12 119.98 2fl1 n MET 12 Ca 0.10 -2.15 -0.16 0.00 -1.81 0.00 0.00 57.70 53.68 2fl1 n MET 12 Cb 0.57 0.30 -0.10 0.00 -0.71 0.00 0.00 33.22 33.27 2fl1 n MET 12 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2fl1 s THR 13 N -1.76 0.84 0.04 2.03 -4.23 -1.14 -2.29 115.64 109.14 2fl1 s THR 13 Ca 0.16 -2.01 -0.09 0.00 -1.18 0.00 0.00 61.69 58.57 2fl1 s THR 13 Cb -0.01 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.48 2fl1 s THR 13 CO 0.10 -0.29 0.18 -0.04 -0.54 0.00 0.00 174.62 174.02 2fl1 s MET 14 N -3.91 0.67 -0.05 3.99 -1.94 0.26 -0.00 119.30 118.31 2fl1 s MET 14 Ca 0.29 -0.64 0.06 0.00 -1.71 0.00 0.00 55.69 53.69 2fl1 s MET 14 Cb 0.06 0.28 -0.01 0.00 2.01 0.00 0.00 34.83 37.17 2fl1 s MET 14 CO 0.08 -0.19 -0.22 -1.58 -0.01 0.00 0.00 175.02 173.10 2fl1 s HIS 15 N -2.52 2.14 -0.04 -0.03 2.46 0.23 -1.17 115.29 116.36 2fl1 s HIS 15 Ca -0.05 -0.59 0.07 0.00 0.47 0.00 0.00 55.06 54.95 2fl1 s HIS 15 Cb -0.01 -1.41 -0.01 0.00 -0.13 0.00 0.00 32.58 31.01 2fl1 s HIS 15 CO -0.04 -0.17 -0.25 -0.06 -2.47 0.00 0.00 174.74 171.75 2fl1 s PHE 16 N -0.16 2.34 -0.09 3.88 0.08 0.29 -0.98 117.98 123.33 2fl1 s PHE 16 Ca -0.02 -0.59 -0.03 0.00 0.12 0.00 0.00 56.93 56.41 2fl1 s PHE 16 Cb -0.12 -1.53 0.05 0.00 -0.57 0.00 0.00 43.02 40.85 2fl1 s PHE 16 CO 0.02 -0.14 0.13 0.50 -0.10 0.00 0.00 175.22 175.63 2fl1 s ARG 17 N -0.34 0.01 -0.02 0.44 6.06 -0.96 -0.80 118.95 123.34 2fl1 s ARG 17 Ca 0.02 0.40 0.03 0.00 -2.50 0.00 0.00 55.73 53.68 2fl1 s ARG 17 Cb -0.12 -0.60 0.00 0.00 0.06 0.00 0.00 34.95 34.29 2fl1 s ARG 17 CO 0.02 -0.38 -0.10 1.41 -2.50 0.00 0.00 175.30 173.74 2fl1 s MET 18 N 2.24 1.01 -0.11 5.12 -2.45 -0.19 -0.16 119.30 124.77 2fl1 s MET 18 Ca 0.04 -0.34 0.02 0.00 -1.25 0.00 0.00 55.69 54.15 2fl1 s MET 18 Cb -0.13 -0.94 0.01 0.00 1.25 0.00 0.00 34.83 35.02 2fl1 s MET 18 CO -0.06 0.14 -0.15 -1.21 1.05 0.00 0.00 175.02 174.79 2fl1 s GLU 19 N 0.11 2.19 0.29 4.11 2.02 -0.77 0.20 118.70 126.85 2fl1 s GLU 19 Ca -0.02 -0.55 -0.01 0.00 0.02 0.00 0.00 54.97 54.41 2fl1 s GLU 19 Cb -0.08 -1.87 -0.02 0.00 0.10 0.00 0.00 34.13 32.26 2fl1 s GLU 19 CO 0.00 -0.06 0.33 0.20 0.02 0.00 0.00 175.26 175.75 2fl1 s GLY 20 N 0.99 1.59 -0.19 -1.39 0.00 -0.53 -2.53 107.32 105.26 2fl1 s GLY 20 Ca -0.07 -1.64 -0.07 0.00 0.00 0.00 0.00 44.72 42.94 2fl1 s GLY 20 CO -0.02 -1.19 0.42 0.00 0.00 0.00 0.00 173.10 172.31 2fl1 s VAL 22 N 2.44 2.08 -1.22 0.00 1.01 -0.81 -1.78 120.40 122.11 2fl1 s VAL 22 Ca -0.03 -1.08 -0.09 0.00 0.00 0.00 0.00 61.98 60.77 2fl1 s VAL 22 Cb -0.11 -1.94 0.08 0.00 0.00 0.00 0.00 36.38 34.40 2fl1 s VAL 22 CO -0.13 0.42 0.44 0.47 0.00 0.00 0.00 175.10 176.30 2fl1 n ASP 23 N 4.58 -3.34 0.00 3.32 8.00 -0.59 -0.87 116.55 127.66 2fl1 n ASP 23 Ca -0.19 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 54.94 2fl1 n ASP 23 Cb 0.48 -2.79 0.00 0.00 -0.02 0.00 0.00 41.12 38.79 2fl1 n ASP 23 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2fl1 n GLY 24 N -1.09 1.54 3.56 0.44 0.00 -1.26 -5.04 105.19 103.33 2fl1 n GLY 24 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2fl1 n GLY 24 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2fl1 s HIS 25 N -2.42 3.06 0.51 1.61 5.04 -0.05 -5.04 115.29 118.00 2fl1 s HIS 25 Ca 0.00 0.30 -0.14 0.00 -1.54 0.00 0.00 55.06 53.68 2fl1 s HIS 25 Cb 0.00 -3.47 -0.07 0.00 0.04 0.00 0.00 32.58 29.08 2fl1 s HIS 25 CO 0.00 -0.84 0.94 0.15 -2.34 0.00 0.00 174.74 172.65 2fl1 s LYS 26 N 3.10 3.84 -0.07 2.88 1.02 -1.26 -1.93 119.74 127.31 2fl1 s LYS 26 Ca 0.29 0.79 -0.29 0.00 0.02 0.00 0.00 55.97 56.78 2fl1 s LYS 26 Cb -0.13 -2.19 0.11 0.00 -0.52 0.00 0.00 37.83 35.10 2fl1 s LYS 26 CO 0.19 -0.27 0.89 -0.59 -0.92 0.00 0.00 175.35 174.65 2fl1 s PHE 27 N -2.68 -0.41 0.00 3.18 -0.12 -0.76 -4.20 117.98 112.99 2fl1 s PHE 27 Ca 0.56 0.55 0.03 0.00 -0.05 0.00 0.00 56.93 58.02 2fl1 s PHE 27 Cb -0.10 0.48 -0.01 0.00 -0.63 0.00 0.00 43.02 42.76 2fl1 s PHE 27 CO 0.36 -0.48 -0.08 0.08 -0.05 0.00 0.00 175.22 175.05 2fl1 s VAL 28 N -1.95 0.66 -0.07 -2.49 1.01 -0.13 -1.45 120.40 115.98 2fl1 s VAL 28 Ca -0.01 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.55 2fl1 s VAL 28 Cb -0.01 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.81 2fl1 s VAL 28 CO -0.01 0.12 -0.15 -0.63 0.00 0.00 0.00 175.10 174.42 2fl1 s ILE 29 N -0.34 1.37 -0.10 2.22 1.01 0.13 -1.80 121.20 123.68 2fl1 s ILE 29 Ca 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.04 2fl1 s ILE 29 Cb -0.04 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.19 2fl1 s ILE 29 CO -0.00 0.40 -0.10 -1.61 0.00 0.00 0.00 174.94 173.64 2fl1 s GLU 30 N 0.48 3.10 0.30 2.79 0.41 0.08 -1.02 118.70 124.85 2fl1 s GLU 30 Ca -0.13 -0.61 -0.17 0.00 -0.41 0.00 0.00 54.97 53.64 2fl1 s GLU 30 Cb -0.15 -2.63 0.02 0.00 -1.78 0.00 0.00 34.13 29.59 2fl1 s GLU 30 CO 0.04 0.42 0.67 0.20 -0.49 0.00 0.00 175.26 176.11 2fl1 s GLY 31 N -0.18 0.23 -0.26 -1.39 0.00 0.02 -0.26 107.32 105.48 2fl1 s GLY 31 Ca 0.01 -0.59 -0.21 0.00 0.00 0.00 0.00 44.72 43.94 2fl1 s GLY 31 CO 0.03 -0.30 0.68 0.54 0.00 0.00 0.00 173.10 174.05 2fl1 s ASN 32 N -2.99 -0.80 0.32 1.64 2.20 -0.66 0.10 114.94 114.75 2fl1 s ASN 32 Ca 0.15 1.43 0.05 0.00 -0.94 0.00 0.00 52.86 53.55 2fl1 s ASN 32 Cb -0.04 1.38 -0.02 0.00 -2.00 0.00 0.00 41.25 40.57 2fl1 s ASN 32 CO 0.09 -0.24 0.32 0.61 -2.94 0.00 0.00 177.10 174.94 2fl1 n GLY 33 N 3.37 2.76 3.13 0.45 0.00 -0.32 -2.66 105.19 111.92 2fl1 n GLY 33 Ca -0.17 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 43.95 2fl1 n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fl1 s ASN 34 N -3.21 0.21 0.00 1.61 2.20 -0.60 0.90 114.94 116.05 2fl1 s ASN 34 Ca 0.36 -0.63 0.00 0.00 -0.94 0.00 0.00 52.86 51.65 2fl1 s ASN 34 Cb 0.01 0.25 0.00 0.00 -2.00 0.00 0.00 41.25 39.51 2fl1 s ASN 34 CO 0.26 -0.57 0.00 0.61 -2.94 0.00 0.00 177.10 174.45 2fl1 n GLY 35 N 0.47 -0.53 3.14 0.45 0.00 -0.97 0.24 105.19 107.99 2fl1 n GLY 35 Ca -0.17 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.50 2fl1 n GLY 35 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2fl1 s ASN 36 N 0.00 5.45 0.65 1.61 3.84 0.85 -1.55 114.94 125.79 2fl1 s ASN 36 Ca 0.00 -2.49 0.21 0.00 0.21 0.00 0.00 52.86 50.79 2fl1 s ASN 36 Cb 0.00 -1.91 1.09 0.00 -0.55 0.00 0.00 41.25 39.89 2fl1 s ASN 36 CO 0.00 -0.48 1.60 -0.65 -2.79 0.00 0.00 177.10 174.78 2fl1 h PRO 37 N 7.57 0.00 0.00 0.43 0.11 -1.78 0.17 132.00 138.50 2fl1 h PRO 37 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2fl1 h PRO 37 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2fl1 h PRO 37 CO 0.74 0.00 -0.84 1.19 -0.21 0.00 0.00 178.00 178.88 2fl1 n PHE 38 N -2.96 0.64 -0.36 0.65 3.01 -1.26 -3.56 117.46 113.62 2fl1 n PHE 38 Ca 0.03 0.19 0.06 0.00 1.01 0.00 0.00 57.45 58.74 2fl1 n PHE 38 Cb 0.71 -0.72 0.18 0.00 -0.01 0.00 0.00 39.48 39.64 2fl1 n PHE 38 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2fl1 n LYS 39 N -2.28 2.90 -3.93 -1.08 5.02 0.53 -4.52 118.16 114.81 2fl1 n LYS 39 Ca 0.02 -2.24 -0.26 0.00 -2.02 0.00 0.00 58.31 53.81 2fl1 n LYS 39 Cb 0.48 -1.40 -0.01 0.00 -0.02 0.00 0.00 35.03 34.07 2fl1 n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2fl1 n GLY 40 N 0.32 -0.26 2.97 0.72 0.00 -0.85 -4.63 105.19 103.46 2fl1 n GLY 40 Ca 0.14 0.14 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 2fl1 n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2fl1 s LYS 41 N -6.50 1.08 -0.02 1.61 2.47 -1.15 -0.85 119.74 116.38 2fl1 s LYS 41 Ca 0.08 -0.26 -0.17 0.00 -1.56 0.00 0.00 55.97 54.06 2fl1 s LYS 41 Cb -0.04 -0.99 0.03 0.00 -1.46 0.00 0.00 37.83 35.37 2fl1 s LYS 41 CO 0.88 0.03 0.36 1.14 0.16 0.00 0.00 175.35 177.92 2fl1 s GLN 42 N 0.54 0.72 -0.26 4.03 -2.07 -0.71 -0.10 119.66 121.81 2fl1 s GLN 42 Ca -0.09 -0.10 0.03 0.00 -1.82 0.00 0.00 55.36 53.38 2fl1 s GLN 42 Cb -0.12 0.32 0.06 0.00 -1.09 0.00 0.00 33.01 32.18 2fl1 s GLN 42 CO 0.01 -0.20 -0.11 -0.06 -1.32 0.00 0.00 175.29 173.61 2fl1 s PHE 43 N -1.25 3.19 -0.14 9.60 0.40 0.14 -1.93 117.98 127.99 2fl1 s PHE 43 Ca -0.13 -2.27 -0.05 0.00 -0.60 0.00 0.00 56.93 53.88 2fl1 s PHE 43 Cb -0.04 -1.91 -0.04 0.00 0.51 0.00 0.00 43.02 41.54 2fl1 s PHE 43 CO 0.05 -0.87 0.04 0.42 0.70 0.00 0.00 175.22 175.56 2fl1 s ILE 44 N 1.13 4.59 -0.23 0.64 1.01 0.20 -1.56 121.20 126.98 2fl1 s ILE 44 Ca -0.08 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.46 2fl1 s ILE 44 Cb -0.20 -3.02 0.04 0.00 0.01 0.00 0.00 42.46 39.30 2fl1 s ILE 44 CO -0.05 0.52 -0.13 0.20 0.00 0.00 0.00 174.94 175.48 2fl1 s ASN 45 N -0.13 4.01 0.06 3.58 0.01 -1.09 -0.59 114.94 120.78 2fl1 s ASN 45 Ca 0.06 -1.07 0.08 0.00 -0.71 0.00 0.00 52.86 51.22 2fl1 s ASN 45 Cb -0.12 -1.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.95 2fl1 s ASN 45 CO 0.02 -0.12 -0.18 -0.76 -1.51 0.00 0.00 177.10 174.54 2fl1 s LEU 46 N 1.20 2.63 -0.03 0.60 1.43 -0.62 -1.65 118.68 122.23 2fl1 s LEU 46 Ca -0.03 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 2fl1 s LEU 46 Cb -0.17 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.55 2fl1 s LEU 46 CO -0.07 0.24 -0.04 0.00 0.23 0.00 0.00 176.35 176.70 2fl1 s VAL 48 N 0.75 4.49 -0.13 0.00 1.01 -0.71 -0.74 120.40 125.07 2fl1 s VAL 48 Ca -0.09 1.04 0.19 0.00 0.00 0.00 0.00 61.98 63.12 2fl1 s VAL 48 Cb -0.12 -4.41 -0.19 0.00 0.00 0.00 0.00 36.38 31.65 2fl1 s VAL 48 CO -0.00 -0.71 0.61 2.30 0.00 0.00 0.00 175.10 177.29 2fl1 n ILE 49 N 6.26 0.88 -4.01 2.22 -5.35 -0.75 -4.61 119.36 114.00 2fl1 n ILE 49 Ca 0.08 -0.66 -0.17 0.00 -0.27 0.00 0.00 62.75 61.72 2fl1 n ILE 49 Cb 0.48 -0.46 -0.16 0.00 -1.74 0.00 0.00 39.64 37.77 2fl1 n ILE 49 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2fl1 s GLU 50 N -3.03 0.42 0.00 6.28 2.02 -1.10 -4.82 118.70 118.47 2fl1 s GLU 50 Ca -0.05 -0.01 0.00 0.00 0.02 0.00 0.00 54.97 54.93 2fl1 s GLU 50 Cb 0.10 -0.52 0.00 0.00 0.10 0.00 0.00 34.13 33.80 2fl1 s GLU 50 CO 0.84 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 176.45 2fl1 n GLY 51 N 3.88 3.32 3.75 -1.39 0.00 -1.26 -0.96 105.19 112.54 2fl1 n GLY 51 Ca -0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 2fl1 n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fl1 s GLY 52 N -2.59 2.86 0.12 -0.02 0.00 -1.26 -3.80 107.32 102.63 2fl1 s GLY 52 Ca 0.00 1.25 -0.30 0.00 0.00 0.00 0.00 44.72 45.67 2fl1 s GLY 52 CO 0.00 1.75 1.00 2.56 0.00 0.00 0.00 173.10 178.41 2fl1 s PRO 53 N -2.90 4.67 0.21 2.90 0.04 -1.26 -5.09 135.00 133.56 2fl1 s PRO 53 Ca 0.71 1.52 -0.31 0.00 0.04 0.00 0.00 61.00 62.95 2fl1 s PRO 53 Cb -0.38 -3.36 -0.11 0.00 0.04 0.00 0.00 34.50 30.70 2fl1 s PRO 53 CO 0.45 0.16 1.61 -0.51 0.04 0.00 0.00 177.00 178.75 2fl1 s LEU 54 N -0.02 4.37 0.13 -3.56 1.43 -1.25 -4.89 118.68 114.89 2fl1 s LEU 54 Ca 0.48 2.75 0.24 0.00 -1.03 0.00 0.00 54.13 56.57 2fl1 s LEU 54 Cb -0.25 -3.61 0.93 0.00 0.03 0.00 0.00 46.19 43.29 2fl1 s LEU 54 CO 0.31 -0.87 1.74 -0.81 0.23 0.00 0.00 176.35 176.95 2fl1 n PRO 55 N 3.51 0.13 -4.30 1.29 -0.04 -1.26 -4.81 135.00 129.53 2fl1 n PRO 55 Ca 0.13 0.22 -0.24 0.00 -0.04 0.00 0.00 63.50 63.57 2fl1 n PRO 55 Cb 0.37 -1.69 -0.08 0.00 -0.04 0.00 0.00 33.50 32.07 2fl1 n PRO 55 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2fl1 s PHE 56 N -3.11 2.60 0.14 0.54 -0.12 -1.26 -4.59 117.98 112.18 2fl1 s PHE 56 Ca 0.09 -0.34 -0.31 0.00 -0.05 0.00 0.00 56.93 56.32 2fl1 s PHE 56 Cb 0.13 -1.36 -0.10 0.00 -0.63 0.00 0.00 43.02 41.06 2fl1 s PHE 56 CO 0.47 0.53 1.64 0.45 -0.05 0.00 0.00 175.22 178.26 2fl1 s SER 57 N -3.70 6.54 0.28 1.98 0.15 0.90 -4.88 113.70 114.96 2fl1 s SER 57 Ca 0.34 2.64 0.23 0.00 0.70 0.00 0.00 55.95 59.86 2fl1 s SER 57 Cb -0.03 -2.58 1.04 0.00 -1.71 0.00 0.00 66.02 62.73 2fl1 s SER 57 CO 0.20 -0.88 1.69 -1.84 1.20 0.00 0.00 173.24 173.61 2fl1 n GLU 58 N 4.55 0.18 0.20 5.44 0.28 -1.26 -2.84 120.64 127.19 2fl1 n GLU 58 Ca 0.15 0.49 0.06 0.00 -0.16 0.00 0.00 57.16 57.70 2fl1 n GLU 58 Cb 0.38 -1.90 0.55 0.00 1.43 0.00 0.00 31.44 31.90 2fl1 n GLU 58 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2fl1 h ASP 59 N 0.00 0.08 0.26 -1.84 3.32 -1.94 -2.60 116.42 113.70 2fl1 h ASP 59 Ca 0.00 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2fl1 h ASP 59 Cb 0.25 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 2fl1 h ASP 59 CO 0.00 0.13 -0.04 0.16 -1.72 0.00 0.00 179.24 177.77 2fl1 h ILE 60 N 0.09 0.30 0.00 0.35 3.07 -1.93 -2.60 117.51 116.79 2fl1 h ILE 60 Ca 0.02 -0.25 -0.05 0.00 1.55 0.00 0.00 64.86 66.13 2fl1 h ILE 60 Cb 0.13 1.18 -0.01 0.00 -0.27 0.00 0.00 36.82 37.85 2fl1 h ILE 60 CO 0.01 0.04 -0.92 -0.07 -1.05 0.00 0.00 178.15 176.15 2fl1 h LEU 61 N 0.00 0.00 -0.88 0.16 3.38 -1.70 -3.42 115.31 112.85 2fl1 h LEU 61 Ca -0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 2fl1 h LEU 61 Cb 0.18 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.81 2fl1 h LEU 61 CO 0.01 0.20 -0.44 -1.20 0.09 0.00 0.00 178.44 177.09 2fl1 n SER 62 N -2.84 -0.77 0.00 -0.43 7.64 -0.98 -0.63 113.62 115.60 2fl1 n SER 62 Ca -0.02 1.56 0.04 0.00 1.01 0.00 0.00 58.87 61.46 2fl1 n SER 62 Cb 0.64 -0.27 0.21 0.00 -1.01 0.00 0.00 64.21 63.78 2fl1 n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fl1 n ALA 63 N -3.43 1.91 0.01 -0.43 0.00 -1.26 -2.53 120.51 114.78 2fl1 n ALA 63 Ca 0.05 -0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.37 2fl1 n ALA 63 Cb 0.29 -1.12 -0.13 0.00 0.00 0.00 0.00 19.45 18.49 2fl1 n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fl1 h ALA 64 N 2.34 0.60 -1.43 0.00 0.00 -1.19 -3.45 119.26 116.13 2fl1 h ALA 64 Ca 0.00 -1.24 -0.74 0.00 0.00 0.00 0.00 54.91 52.93 2fl1 h ALA 64 Cb 0.00 0.23 -0.17 0.00 0.00 0.00 0.00 17.79 17.85 2fl1 h ALA 64 CO 0.00 1.45 1.58 1.19 0.00 0.00 0.00 179.25 183.47 2fl1 n PHE 65 N -3.17 4.30 0.00 0.00 3.01 -1.05 -4.92 117.46 115.63 2fl1 n PHE 65 Ca -0.10 -3.17 0.00 0.00 1.01 0.00 0.00 57.45 55.19 2fl1 n PHE 65 Cb 1.01 -2.11 0.00 0.00 -0.01 0.00 0.00 39.48 38.37 2fl1 n PHE 65 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2fl1 n ASN 69 N 5.06 0.00 0.00 4.37 2.85 -1.26 -5.08 115.26 121.20 2fl1 n ASN 69 Ca 0.38 0.00 0.05 0.00 -0.11 0.00 0.00 54.58 54.89 2fl1 n ASN 69 Cb 0.41 0.00 0.26 0.00 1.24 0.00 0.00 39.78 41.68 2fl1 n ASN 69 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2fl1 n ARG 70 N 0.00 0.24 0.21 1.20 5.12 -1.26 -1.44 116.66 120.72 2fl1 n ARG 70 Ca 0.00 0.07 0.04 0.00 -1.93 0.00 0.00 57.85 56.03 2fl1 n ARG 70 Cb 0.00 -1.50 0.44 0.00 -1.16 0.00 0.00 32.46 30.24 2fl1 n ARG 70 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2fl1 h LEU 71 N 0.00 0.00 -5.88 0.55 3.38 -1.93 -3.09 115.31 108.34 2fl1 h LEU 71 Ca 0.00 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.23 2fl1 h LEU 71 Cb 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.67 2fl1 h LEU 71 CO 0.00 0.28 2.50 0.49 0.09 0.00 0.00 178.44 181.80 2fl1 n PHE 72 N -4.16 2.76 -3.99 1.13 3.01 -0.52 -4.64 117.46 111.04 2fl1 n PHE 72 Ca -0.02 -2.85 -0.15 0.00 1.01 0.00 0.00 57.45 55.43 2fl1 n PHE 72 Cb 0.33 -2.00 -0.15 0.00 -0.01 0.00 0.00 39.48 37.65 2fl1 n PHE 72 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2fl1 s THR 73 N 0.10 0.21 -0.40 4.37 2.01 -1.17 -4.30 115.64 116.47 2fl1 s THR 73 Ca 0.50 -0.04 -0.24 0.00 0.31 0.00 0.00 61.69 62.22 2fl1 s THR 73 Cb 0.15 -0.23 0.02 0.00 0.01 0.00 0.00 72.50 72.44 2fl1 s THR 73 CO -0.05 0.10 0.84 -0.70 -0.69 0.00 0.00 174.62 174.12 2fl1 s GLU 74 N 0.39 3.67 -0.29 4.92 2.12 -0.92 -4.37 118.70 124.23 2fl1 s GLU 74 Ca -0.04 0.27 -0.09 0.00 0.36 0.00 0.00 54.97 55.48 2fl1 s GLU 74 Cb -0.07 -3.85 -0.02 0.00 0.26 0.00 0.00 34.13 30.45 2fl1 s GLU 74 CO -0.01 -0.99 0.12 0.71 -0.54 0.00 0.00 175.26 174.56 2fl1 s TYR 75 N 3.35 3.15 0.91 5.30 1.51 -1.26 -0.93 117.35 129.37 2fl1 s TYR 75 Ca 0.34 -0.47 -0.11 0.00 -1.01 0.00 0.00 57.07 55.82 2fl1 s TYR 75 Cb -0.12 -2.31 0.14 0.00 -0.11 0.00 0.00 41.96 39.56 2fl1 s TYR 75 CO 0.20 -0.40 1.09 -1.25 -1.11 0.00 0.00 175.55 174.09 2fl1 s PRO 76 N 1.62 1.14 0.52 -1.71 0.04 -1.26 -4.89 135.00 130.46 2fl1 s PRO 76 Ca 0.05 0.87 0.22 0.00 0.04 0.00 0.00 61.00 62.19 2fl1 s PRO 76 Cb -0.16 -1.79 1.34 0.00 0.04 0.00 0.00 34.50 33.93 2fl1 s PRO 76 CO 0.06 -2.34 2.03 0.93 0.04 0.00 0.00 177.00 177.72 2fl1 h GLU 77 N -1.62 0.03 0.00 4.56 5.08 -2.00 -1.85 114.58 118.77 2fl1 h GLU 77 Ca -0.50 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2fl1 h GLU 77 Cb 1.28 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2fl1 h GLU 77 CO 0.54 0.02 0.00 0.41 -1.00 0.00 0.00 179.01 178.97 2fl1 n GLY 78 N -1.61 -1.43 3.27 -3.84 0.00 -1.26 -4.73 105.19 95.59 2fl1 n GLY 78 Ca 0.07 0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2fl1 n GLY 78 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fl1 s ILE 79 N -3.18 2.68 0.47 -0.61 -1.09 -0.70 -5.03 121.20 113.74 2fl1 s ILE 79 Ca 0.08 -0.77 -0.25 0.00 -2.23 0.00 0.00 60.65 57.48 2fl1 s ILE 79 Cb 0.11 -2.13 -0.08 0.00 -1.58 0.00 0.00 42.46 38.79 2fl1 s ILE 79 CO 0.47 0.52 1.42 -0.69 -1.23 0.00 0.00 174.94 175.43 2fl1 s VAL 80 N 0.75 2.05 -0.94 2.92 1.01 -1.26 -4.61 120.40 120.32 2fl1 s VAL 80 Ca -0.06 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 2fl1 s VAL 80 Cb -0.15 -3.02 0.27 0.00 0.00 0.00 0.00 36.38 33.48 2fl1 s VAL 80 CO 0.01 0.00 1.12 -0.67 0.00 0.00 0.00 175.10 175.56 2fl1 n ASP 81 N -0.33 5.21 -0.29 3.32 -0.08 -1.26 -4.80 116.55 118.32 2fl1 n ASP 81 Ca 0.06 -3.33 0.18 0.00 -1.51 0.00 0.00 54.79 50.19 2fl1 n ASP 81 Cb 0.42 -1.08 0.34 0.00 2.34 0.00 0.00 41.12 43.13 2fl1 n ASP 81 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2fl1 n TYR 82 N 1.53 0.70 0.25 -0.67 9.36 -1.26 -0.60 117.16 126.47 2fl1 n TYR 82 Ca 0.26 1.04 -0.13 0.00 3.32 0.00 0.00 57.90 62.39 2fl1 n TYR 82 Cb 0.36 -1.24 -0.07 0.00 -0.63 0.00 0.00 39.34 37.76 2fl1 n TYR 82 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2fl1 h PHE 83 N 0.00 -0.62 -0.08 2.98 -1.00 -1.91 -2.58 116.94 113.73 2fl1 h PHE 83 Ca 0.59 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 61.29 2fl1 h PHE 83 Cb 1.36 0.21 -0.01 0.00 3.61 0.00 0.00 35.95 41.12 2fl1 h PHE 83 CO -0.30 -0.30 -0.25 0.87 -1.61 0.00 0.00 178.31 176.71 2fl1 h LYS 84 N -1.03 0.13 -0.85 1.51 1.57 -1.77 -2.22 116.57 113.91 2fl1 h LYS 84 Ca -0.07 -0.04 0.14 0.00 -1.87 0.00 0.00 60.65 58.81 2fl1 h LYS 84 Cb 0.60 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.83 2fl1 h LYS 84 CO 0.11 0.38 0.55 -0.91 -0.57 0.00 0.00 179.45 179.02 2fl1 h ASN 85 N 0.12 0.59 -0.40 0.86 4.21 -0.82 -0.48 115.58 119.67 2fl1 h ASN 85 Ca 0.02 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.56 2fl1 h ASN 85 Cb 0.52 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.64 2fl1 h ASN 85 CO 0.04 0.30 0.00 -1.54 -1.29 0.00 0.00 177.43 174.94 2fl1 n SER 86 N -4.54 3.27 -4.98 5.81 3.41 -0.84 -4.92 113.62 110.84 2fl1 n SER 86 Ca 0.16 -2.32 -0.20 0.00 -0.26 0.00 0.00 58.87 56.25 2fl1 n SER 86 Cb 0.48 -0.48 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 2fl1 n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fl1 n PRO 88 N -1.95 0.99 -0.13 0.00 -0.04 -0.71 -4.83 135.00 128.33 2fl1 n PRO 88 Ca 0.03 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.45 2fl1 n PRO 88 Cb 0.58 -1.49 0.02 0.00 -0.04 0.00 0.00 33.50 32.57 2fl1 n PRO 88 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fl1 h ALA 89 N 3.96 0.27 0.00 0.55 0.00 -1.84 -1.69 119.26 120.50 2fl1 h ALA 89 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2fl1 h ALA 89 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2fl1 h ALA 89 CO 0.00 -0.45 0.00 0.41 0.00 0.00 0.00 179.25 179.21 2fl1 n GLY 90 N -1.32 -0.50 3.68 0.00 0.00 -0.72 -4.10 105.19 102.22 2fl1 n GLY 90 Ca 0.03 -2.19 -0.09 0.00 0.00 0.00 0.00 46.02 43.77 2fl1 n GLY 90 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2fl1 s TYR 91 N 0.00 -0.13 0.10 1.61 -0.85 -0.60 -2.29 117.35 115.19 2fl1 s TYR 91 Ca 0.00 -0.25 0.06 0.00 -0.52 0.00 0.00 57.07 56.36 2fl1 s TYR 91 Cb 0.00 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.84 2fl1 s TYR 91 CO 0.00 -1.07 -0.16 0.95 -1.52 0.00 0.00 175.55 173.75 2fl1 s THR 92 N -3.90 1.38 0.04 -3.49 -4.23 0.10 -0.57 115.64 104.96 2fl1 s THR 92 Ca 0.11 -1.52 -0.02 0.00 -1.18 0.00 0.00 61.69 59.08 2fl1 s THR 92 Cb -0.03 -1.37 -0.02 0.00 1.34 0.00 0.00 72.50 72.41 2fl1 s THR 92 CO 0.02 -0.24 0.01 -1.66 -0.54 0.00 0.00 174.62 172.22 2fl1 s TRP 93 N -1.52 0.33 -0.05 3.99 1.48 -0.99 -0.01 118.94 122.17 2fl1 s TRP 93 Ca 0.04 -0.71 0.01 0.00 -1.06 0.00 0.00 56.10 54.38 2fl1 s TRP 93 Cb -0.08 -0.24 0.02 0.00 -1.16 0.00 0.00 33.47 32.00 2fl1 s TRP 93 CO 0.03 -0.31 -0.06 -1.01 -4.06 0.00 0.00 176.95 171.54 2fl1 s HIS 94 N -2.70 0.89 0.03 1.66 3.76 -0.74 -2.55 115.29 115.64 2fl1 s HIS 94 Ca -0.04 -0.28 0.01 0.00 -0.15 0.00 0.00 55.06 54.60 2fl1 s HIS 94 Cb -0.01 -0.76 -0.02 0.00 1.11 0.00 0.00 32.58 32.91 2fl1 s HIS 94 CO -0.05 -0.22 -0.05 0.50 -0.85 0.00 0.00 174.74 174.06 2fl1 s ARG 95 N 0.92 0.40 0.10 1.40 3.52 0.34 -1.42 118.95 124.22 2fl1 s ARG 95 Ca -0.11 -0.62 0.02 0.00 -0.13 0.00 0.00 55.73 54.89 2fl1 s ARG 95 Cb -0.14 -0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.08 2fl1 s ARG 95 CO 0.00 0.01 -0.07 -1.54 -0.81 0.00 0.00 175.30 172.90 2fl1 s SER 96 N -1.35 1.17 -0.28 -2.12 1.04 -0.87 -0.17 113.70 111.12 2fl1 s SER 96 Ca -0.11 -1.01 -0.21 0.00 0.48 0.00 0.00 55.95 55.10 2fl1 s SER 96 Cb -0.09 0.09 0.11 0.00 0.10 0.00 0.00 66.02 66.23 2fl1 s SER 96 CO -0.00 -0.46 0.90 0.72 0.98 0.00 0.00 173.24 175.38 2fl1 s PHE 97 N -3.61 -0.66 -0.14 5.02 -0.71 -0.30 -1.93 117.98 115.65 2fl1 s PHE 97 Ca 0.12 1.46 -0.02 0.00 -1.04 0.00 0.00 56.93 57.45 2fl1 s PHE 97 Cb 0.05 0.39 -0.03 0.00 -1.21 0.00 0.00 43.02 42.22 2fl1 s PHE 97 CO -0.04 -0.32 -0.06 0.50 -1.34 0.00 0.00 175.22 173.96 2fl1 s ARG 98 N 0.79 3.50 0.41 1.99 3.52 -1.25 -0.59 118.95 127.31 2fl1 s ARG 98 Ca -0.03 -0.55 -0.09 0.00 -0.13 0.00 0.00 55.73 54.93 2fl1 s ARG 98 Cb -0.05 -2.82 -0.06 0.00 -1.56 0.00 0.00 34.95 30.47 2fl1 s ARG 98 CO -0.10 0.30 0.75 -0.06 -0.81 0.00 0.00 175.30 175.39 2fl1 s PHE 99 N 0.19 3.49 0.24 5.12 0.40 0.60 -3.22 117.98 124.81 2fl1 s PHE 99 Ca -0.03 0.96 0.22 0.00 -0.60 0.00 0.00 56.93 57.48 2fl1 s PHE 99 Cb -0.14 -2.38 1.19 0.00 0.51 0.00 0.00 43.02 42.20 2fl1 s PHE 99 CO 0.03 -0.12 1.63 1.05 0.70 0.00 0.00 175.22 178.51 2fl1 h GLU 100 N 1.08 0.00 -0.60 0.44 4.11 -1.79 -0.55 114.58 117.26 2fl1 h GLU 100 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2fl1 h GLU 100 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2fl1 h GLU 100 CO 0.64 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.32 2fl1 n ASP 101 N -2.43 4.70 0.00 3.06 3.85 -1.26 -4.96 116.55 119.51 2fl1 n ASP 101 Ca -0.01 -2.50 0.00 0.00 -0.71 0.00 0.00 54.79 51.56 2fl1 n ASP 101 Cb 0.28 -0.57 0.00 0.00 -1.35 0.00 0.00 41.12 39.49 2fl1 n ASP 101 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2fl1 n GLY 102 N 0.94 2.84 3.75 6.12 0.00 -0.21 -4.87 105.19 113.77 2fl1 n GLY 102 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 2fl1 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fl1 s ALA 103 N -2.85 2.86 0.01 4.61 0.00 -1.23 -4.72 121.76 120.43 2fl1 s ALA 103 Ca 0.00 1.31 0.01 0.00 0.00 0.00 0.00 51.96 53.27 2fl1 s ALA 103 Cb 0.00 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 2fl1 s ALA 103 CO 0.00 -1.30 -0.03 0.14 0.00 0.00 0.00 175.76 174.57 2fl1 s VAL 104 N -1.32 0.20 0.15 0.00 -7.23 -0.91 -0.29 120.40 111.01 2fl1 s VAL 104 Ca 0.70 -0.39 0.06 0.00 -1.81 0.00 0.00 61.98 60.54 2fl1 s VAL 104 Cb -0.40 -0.23 -0.04 0.00 0.56 0.00 0.00 36.38 36.28 2fl1 s VAL 104 CO 0.47 -0.13 -0.13 0.00 -0.31 0.00 0.00 175.10 175.01 2fl1 s ILE 106 N -2.81 0.00 0.02 0.00 -4.36 0.13 -1.15 121.20 113.03 2fl1 s ILE 106 Ca 0.16 -0.03 -0.01 0.00 -0.26 0.00 0.00 60.65 60.51 2fl1 s ILE 106 Cb -0.01 -0.09 -0.02 0.00 1.25 0.00 0.00 42.46 43.59 2fl1 s ILE 106 CO 0.03 -0.02 -0.01 0.00 0.24 0.00 0.00 174.94 175.18 2fl1 s SER 108 N -1.43 0.52 -0.07 0.00 0.01 -0.16 -0.50 113.70 112.07 2fl1 s SER 108 Ca -0.16 -0.48 -0.13 0.00 1.31 0.00 0.00 55.95 56.49 2fl1 s SER 108 Cb -0.10 0.06 0.03 0.00 0.21 0.00 0.00 66.02 66.22 2fl1 s SER 108 CO -0.01 -0.23 0.31 0.00 0.41 0.00 0.00 173.24 173.73 2fl1 s ALA 109 N -1.30 -0.79 -0.27 1.44 0.00 -1.06 -0.00 121.76 119.78 2fl1 s ALA 109 Ca -0.12 0.60 -0.01 0.00 0.00 0.00 0.00 51.96 52.43 2fl1 s ALA 109 Cb -0.09 -0.22 0.04 0.00 0.00 0.00 0.00 23.12 22.85 2fl1 s ALA 109 CO -0.00 -0.21 -0.04 0.34 0.00 0.00 0.00 175.76 175.84 2fl1 s ASP 110 N -0.62 4.55 -0.25 0.00 -1.08 0.28 -2.34 116.67 117.21 2fl1 s ASP 110 Ca -0.07 -1.10 -0.13 0.00 -0.52 0.00 0.00 52.55 50.73 2fl1 s ASP 110 Cb -0.04 -1.67 -0.04 0.00 -1.46 0.00 0.00 42.92 39.71 2fl1 s ASP 110 CO 0.02 -0.19 0.27 -0.63 0.52 0.00 0.00 175.17 175.16 2fl1 s ILE 111 N 1.27 5.27 -0.04 4.11 1.09 0.26 -1.87 121.20 131.28 2fl1 s ILE 111 Ca -0.03 0.37 0.03 0.00 -1.10 0.00 0.00 60.65 59.93 2fl1 s ILE 111 Cb -0.18 -3.60 0.00 0.00 -1.06 0.00 0.00 42.46 37.62 2fl1 s ILE 111 CO -0.03 0.25 -0.14 -0.89 -0.10 0.00 0.00 174.94 174.03 2fl1 s THR 112 N 1.60 1.17 -0.21 2.92 2.01 -0.61 -1.56 115.64 120.96 2fl1 s THR 112 Ca 0.11 -0.56 -0.09 0.00 0.31 0.00 0.00 61.69 61.46 2fl1 s THR 112 Cb -0.15 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.28 2fl1 s THR 112 CO 0.08 0.35 0.11 -0.69 -0.69 0.00 0.00 174.62 173.79 2fl1 s VAL 113 N 0.22 5.12 -0.50 3.82 1.01 -0.64 0.26 120.40 129.69 2fl1 s VAL 113 Ca -0.06 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 2fl1 s VAL 113 Cb -0.12 -3.35 0.12 0.00 0.00 0.00 0.00 36.38 33.04 2fl1 s VAL 113 CO 0.02 0.41 0.40 0.21 0.00 0.00 0.00 175.10 176.14 2fl1 s ASN 114 N 0.69 5.87 0.18 3.32 3.04 0.32 -4.74 114.94 123.62 2fl1 s ASN 114 Ca 0.06 -1.89 -0.14 0.00 0.04 0.00 0.00 52.86 50.93 2fl1 s ASN 114 Cb -0.13 -2.08 0.16 0.00 -1.54 0.00 0.00 41.25 37.66 2fl1 s ASN 114 CO 0.01 -0.74 1.71 -0.37 -3.04 0.00 0.00 177.10 174.67 2fl1 h VAL 115 N 6.04 0.71 -0.72 -5.21 -1.51 -1.87 0.92 116.25 114.61 2fl1 h VAL 115 Ca -0.23 -0.06 0.10 0.00 -1.23 0.00 0.00 66.70 65.27 2fl1 h VAL 115 Cb 1.08 0.52 -0.07 0.00 -2.13 0.00 0.00 31.29 30.68 2fl1 h VAL 115 CO 0.92 0.03 0.35 -0.09 -1.23 0.00 0.00 177.57 177.55 2fl1 h ARG 116 N 0.18 0.57 -0.00 5.19 2.43 -1.95 -2.02 114.38 118.77 2fl1 h ARG 116 Ca 0.23 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2fl1 h ARG 116 Cb 0.31 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2fl1 h ARG 116 CO -0.33 0.37 -0.48 0.39 -1.51 0.00 0.00 179.97 178.42 2fl1 n GLU 117 N -4.88 0.22 -3.40 0.20 1.02 -1.01 -4.93 120.64 107.87 2fl1 n GLU 117 Ca 0.12 -0.14 -0.25 0.00 -0.02 0.00 0.00 57.16 56.87 2fl1 n GLU 117 Cb 0.29 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.25 2fl1 n GLU 117 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2fl1 n ASN 118 N -1.27 -5.36 -4.19 1.62 5.15 0.29 -4.91 115.26 106.58 2fl1 n ASN 118 Ca 0.07 -0.46 -0.20 0.00 -0.60 0.00 0.00 54.58 53.39 2fl1 n ASN 118 Cb 0.34 -4.31 -0.12 0.00 -0.53 0.00 0.00 39.78 35.16 2fl1 n ASN 118 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2fl1 s ILE 120 N -1.16 4.36 -0.25 0.00 1.01 0.99 -0.52 121.20 125.63 2fl1 s ILE 120 Ca 0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.36 2fl1 s ILE 120 Cb -0.10 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 2fl1 s ILE 120 CO 0.02 0.51 0.13 -0.31 0.00 0.00 0.00 174.94 175.29 2fl1 s TYR 121 N 0.08 3.20 -0.29 3.97 1.51 0.14 -0.60 117.35 125.37 2fl1 s TYR 121 Ca 0.02 -0.02 -0.05 0.00 -1.01 0.00 0.00 57.07 56.01 2fl1 s TYR 121 Cb -0.13 -2.27 0.02 0.00 -0.11 0.00 0.00 41.96 39.47 2fl1 s TYR 121 CO 0.02 -0.12 0.04 -1.58 -1.11 0.00 0.00 175.55 172.80 2fl1 s HIS 122 N 1.35 3.15 -0.36 2.71 2.46 -0.15 -1.57 115.29 122.87 2fl1 s HIS 122 Ca 0.06 -1.25 -0.13 0.00 0.47 0.00 0.00 55.06 54.22 2fl1 s HIS 122 Cb -0.15 -2.19 -0.00 0.00 -0.13 0.00 0.00 32.58 30.11 2fl1 s HIS 122 CO 0.06 -0.65 0.24 -1.21 -2.47 0.00 0.00 174.74 170.71 2fl1 s GLU 123 N 1.42 3.29 -0.05 2.88 0.41 -0.78 -2.26 118.70 123.61 2fl1 s GLU 123 Ca 0.01 -0.78 0.04 0.00 -0.41 0.00 0.00 54.97 53.83 2fl1 s GLU 123 Cb -0.17 -3.81 -0.02 0.00 -1.78 0.00 0.00 34.13 28.34 2fl1 s GLU 123 CO 0.00 -0.53 -0.17 0.45 -0.49 0.00 0.00 175.26 174.52 2fl1 s SER 124 N 1.68 3.77 -0.04 -0.19 0.15 0.78 -0.55 113.70 119.30 2fl1 s SER 124 Ca 0.05 -0.28 0.03 0.00 0.70 0.00 0.00 55.95 56.45 2fl1 s SER 124 Cb -0.18 -0.81 0.00 0.00 -1.71 0.00 0.00 66.02 63.32 2fl1 s SER 124 CO 0.10 0.32 -0.11 0.28 1.20 0.00 0.00 173.24 175.02 2fl1 s THR 125 N -0.58 1.01 -0.07 6.45 -1.32 0.99 -1.85 115.64 120.27 2fl1 s THR 125 Ca 0.08 -0.46 -0.03 0.00 -1.21 0.00 0.00 61.69 60.07 2fl1 s THR 125 Cb -0.11 -0.90 0.04 0.00 -1.51 0.00 0.00 72.50 70.02 2fl1 s THR 125 CO 0.01 0.31 0.16 0.12 -2.21 0.00 0.00 174.62 173.01 2fl1 s PHE 126 N 0.30 -0.19 -0.01 9.09 5.36 -1.05 -0.99 117.98 130.49 2fl1 s PHE 126 Ca -0.06 0.54 0.01 0.00 -0.96 0.00 0.00 56.93 56.45 2fl1 s PHE 126 Cb -0.11 -0.09 0.01 0.00 -0.34 0.00 0.00 43.02 42.49 2fl1 s PHE 126 CO 0.02 -0.19 -0.02 0.71 -1.46 0.00 0.00 175.22 174.27 2fl1 s TYR 127 N 1.33 0.34 0.03 10.12 1.51 0.24 -1.40 117.35 129.52 2fl1 s TYR 127 Ca -0.08 -0.05 -0.00 0.00 -1.01 0.00 0.00 57.07 55.94 2fl1 s TYR 127 Cb -0.12 -0.30 -0.03 0.00 -0.11 0.00 0.00 41.96 41.40 2fl1 s TYR 127 CO -0.06 -0.06 -0.03 0.20 -1.11 0.00 0.00 175.55 174.48 2fl1 s GLY 128 N 0.38 0.35 0.03 0.71 0.00 -0.73 0.17 107.32 108.23 2fl1 s GLY 128 Ca -0.04 -0.83 -0.08 0.00 0.00 0.00 0.00 44.72 43.77 2fl1 s GLY 128 CO -0.01 -0.92 0.15 -1.34 0.00 0.00 0.00 173.10 170.99 2fl1 s VAL 129 N -2.35 0.11 -1.02 1.40 -7.23 -0.44 -1.54 120.40 109.33 2fl1 s VAL 129 Ca -0.07 -0.91 -0.04 0.00 -1.81 0.00 0.00 61.98 59.15 2fl1 s VAL 129 Cb -0.03 -0.79 0.00 0.00 0.56 0.00 0.00 36.38 36.12 2fl1 s VAL 129 CO -0.04 -0.50 0.88 0.59 -0.31 0.00 0.00 175.10 175.72 2fl1 n ASN 130 N 0.89 -3.93 -4.66 4.85 3.02 -1.26 -2.13 115.26 112.04 2fl1 n ASN 130 Ca -0.20 -0.46 -0.42 0.00 -0.03 0.00 0.00 54.58 53.47 2fl1 n ASN 130 Cb 0.58 -4.14 -0.04 0.00 -0.61 0.00 0.00 39.78 35.57 2fl1 n ASN 130 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2fl1 s PHE 131 N -3.27 3.38 0.44 3.10 0.40 -1.26 -3.56 117.98 117.21 2fl1 s PHE 131 Ca 0.26 1.28 -0.24 0.00 -0.60 0.00 0.00 56.93 57.63 2fl1 s PHE 131 Cb -0.11 -3.08 -0.10 0.00 0.51 0.00 0.00 43.02 40.24 2fl1 s PHE 131 CO 0.58 -0.33 1.14 -2.30 0.70 0.00 0.00 175.22 175.02 2fl1 n PRO 132 N 5.62 1.60 -0.23 0.24 -0.02 -1.26 -4.89 135.00 136.05 2fl1 n PRO 132 Ca 0.06 0.57 -0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2fl1 n PRO 132 Cb 0.48 -2.23 0.22 0.00 -0.02 0.00 0.00 33.50 31.95 2fl1 n PRO 132 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fl1 h ALA 133 N 1.72 1.42 -0.58 3.55 0.00 -1.99 -1.74 119.26 121.64 2fl1 h ALA 133 Ca -0.47 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2fl1 h ALA 133 Cb 1.32 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2fl1 h ALA 133 CO 0.58 0.53 0.00 -0.40 0.00 0.00 0.00 179.25 179.95 2fl1 n ASP 134 N -4.41 4.88 -4.86 0.00 3.85 -1.26 -4.53 116.55 110.22 2fl1 n ASP 134 Ca 0.08 -2.61 -0.31 0.00 -0.71 0.00 0.00 54.79 51.25 2fl1 n ASP 134 Cb 0.04 -0.61 0.04 0.00 -1.35 0.00 0.00 41.12 39.24 2fl1 n ASP 134 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 2fl1 s GLY 135 N -0.80 1.64 0.56 6.12 0.00 -0.65 -4.89 107.32 109.30 2fl1 s GLY 135 Ca 0.49 -0.19 0.29 0.00 0.00 0.00 0.00 44.72 45.32 2fl1 s GLY 135 CO 0.19 0.14 2.16 -0.56 0.00 0.00 0.00 173.10 175.04 2fl1 h PRO 136 N -0.59 0.00 -0.04 2.90 0.13 -1.93 -1.76 132.00 130.71 2fl1 h PRO 136 Ca -0.45 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.61 2fl1 h PRO 136 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2fl1 h PRO 136 CO 0.62 0.06 -0.24 0.28 -0.23 0.00 0.00 178.00 178.49 2fl1 h VAL 137 N 0.00 1.47 0.00 1.56 2.07 -1.92 -0.37 116.25 119.06 2fl1 h VAL 137 Ca -0.00 -1.73 -0.02 0.00 0.82 0.00 0.00 66.70 65.77 2fl1 h VAL 137 Cb 0.19 2.47 -0.00 0.00 -1.52 0.00 0.00 31.29 32.43 2fl1 h VAL 137 CO 0.01 0.48 -0.09 0.24 0.02 0.00 0.00 177.57 178.23 2fl1 h MET 138 N -0.33 0.00 -0.03 1.57 2.86 -1.73 0.26 114.93 117.54 2fl1 h MET 138 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2fl1 h MET 138 Cb 0.91 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.57 2fl1 h MET 138 CO 0.05 0.09 0.00 1.63 1.06 0.00 0.00 176.91 179.74 2fl1 n LYS 139 N -3.16 1.79 -3.68 1.72 4.76 -0.68 -4.76 118.16 114.15 2fl1 n LYS 139 Ca 0.02 -1.15 -0.23 0.00 -2.87 0.00 0.00 58.31 54.08 2fl1 n LYS 139 Cb 0.45 -1.47 0.05 0.00 -1.84 0.00 0.00 35.03 32.21 2fl1 n LYS 139 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2fl1 n LYS 140 N 0.40 -5.73 -0.85 1.97 4.76 -0.93 -4.91 118.16 112.86 2fl1 n LYS 140 Ca 0.18 0.69 -0.04 0.00 -2.87 0.00 0.00 58.31 56.27 2fl1 n LYS 140 Cb 0.40 -5.46 0.26 0.00 -1.84 0.00 0.00 35.03 28.39 2fl1 n LYS 140 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2fl1 n MET 141 N -4.41 2.93 -4.10 1.97 2.81 -0.19 -4.99 117.12 111.14 2fl1 n MET 141 Ca -0.20 -3.05 -0.28 0.00 -1.81 0.00 0.00 57.70 52.37 2fl1 n MET 141 Cb 0.63 -2.03 -0.06 0.00 -0.71 0.00 0.00 33.22 31.05 2fl1 n MET 141 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2fl1 s THR 142 N -3.05 4.29 0.00 2.03 -4.23 -1.26 -0.23 115.64 113.18 2fl1 s THR 142 Ca 0.50 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 2fl1 s THR 142 Cb 0.41 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 71.12 2fl1 s THR 142 CO 0.09 -0.03 0.00 0.35 -0.54 0.00 0.00 174.62 174.49 2fl1 n THR 143 N -0.00 0.00 -3.57 3.99 -2.24 -0.17 -4.76 114.28 107.53 2fl1 n THR 143 Ca -0.09 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.63 2fl1 n THR 143 Cb 0.54 -0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 68.13 2fl1 n THR 143 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2fl1 s ASN 144 N -3.43 -0.22 -0.04 3.42 0.01 -1.22 -4.70 114.94 108.76 2fl1 s ASN 144 Ca 0.00 0.05 -0.25 0.00 -0.71 0.00 0.00 52.86 51.96 2fl1 s ASN 144 Cb 0.00 0.22 -0.04 0.00 0.41 0.00 0.00 41.25 41.84 2fl1 s ASN 144 CO 0.00 -0.34 0.76 0.26 -1.51 0.00 0.00 177.10 176.27 2fl1 s TRP 145 N -2.34 3.61 0.42 2.20 0.52 -1.26 0.37 118.94 122.45 2fl1 s TRP 145 Ca 0.07 1.36 -0.24 0.00 0.02 0.00 0.00 56.10 57.31 2fl1 s TRP 145 Cb -0.01 -2.86 -0.08 0.00 -1.15 0.00 0.00 33.47 29.37 2fl1 s TRP 145 CO -0.05 0.09 1.09 -2.00 0.02 0.00 0.00 176.95 176.10 2fl1 s GLU 146 N 0.73 4.03 0.39 4.98 2.12 -0.18 -4.65 118.70 126.12 2fl1 s GLU 146 Ca 0.40 1.61 -0.24 0.00 0.36 0.00 0.00 54.97 57.10 2fl1 s GLU 146 Cb -0.19 -2.50 -0.12 0.00 0.26 0.00 0.00 34.13 31.58 2fl1 s GLU 146 CO 0.20 -0.28 0.83 -2.30 -0.54 0.00 0.00 175.26 173.18 2fl1 n PRO 147 N -0.20 1.02 -4.39 4.30 -0.02 -1.26 -4.69 135.00 129.76 2fl1 n PRO 147 Ca 0.06 0.37 -0.22 0.00 -2.02 0.00 0.00 63.50 61.68 2fl1 n PRO 147 Cb 0.49 -1.78 -0.08 0.00 -0.02 0.00 0.00 33.50 32.11 2fl1 n PRO 147 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2fl1 s SER 148 N -0.79 2.11 -0.34 2.55 1.04 -0.93 -4.98 113.70 112.35 2fl1 s SER 148 Ca 0.63 -1.68 -0.01 0.00 0.48 0.00 0.00 55.95 55.37 2fl1 s SER 148 Cb -0.62 0.51 0.12 0.00 0.10 0.00 0.00 66.02 66.13 2fl1 s SER 148 CO 0.58 -0.97 0.16 0.00 0.98 0.00 0.00 173.24 173.98 2fl1 s GLU 150 N 1.36 4.78 -0.35 0.00 2.12 0.32 -4.78 118.70 122.15 2fl1 s GLU 150 Ca 0.13 1.42 -0.15 0.00 0.36 0.00 0.00 54.97 56.73 2fl1 s GLU 150 Cb -0.20 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 30.98 2fl1 s GLU 150 CO -0.17 0.49 0.35 0.21 -0.54 0.00 0.00 175.26 175.61 2fl1 s LYS 151 N -1.30 3.48 -0.31 4.30 2.47 -0.25 -0.69 119.74 127.45 2fl1 s LYS 151 Ca 0.42 -0.50 -0.12 0.00 -1.56 0.00 0.00 55.97 54.20 2fl1 s LYS 151 Cb -0.25 -3.83 -0.03 0.00 -1.46 0.00 0.00 37.83 32.26 2fl1 s LYS 151 CO 0.30 -0.56 0.23 0.42 0.16 0.00 0.00 175.35 175.90 2fl1 s ILE 152 N 1.98 5.29 -0.02 5.43 -1.09 0.50 -1.79 121.20 131.49 2fl1 s ILE 152 Ca 0.11 -0.00 0.03 0.00 -2.23 0.00 0.00 60.65 58.56 2fl1 s ILE 152 Cb -0.17 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 37.04 2fl1 s ILE 152 CO 0.12 0.11 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.20 2fl1 s ILE 153 N 1.77 3.38 -0.04 2.92 1.09 -0.38 -1.59 121.20 128.34 2fl1 s ILE 153 Ca 0.07 -0.75 -0.14 0.00 -1.10 0.00 0.00 60.65 58.74 2fl1 s ILE 153 Cb -0.17 -2.40 -0.05 0.00 -1.06 0.00 0.00 42.46 38.78 2fl1 s ILE 153 CO 0.11 0.49 0.36 -2.16 -0.10 0.00 0.00 174.94 173.64 2fl1 s PRO 154 N -1.09 3.91 -0.63 2.79 0.04 -1.26 -0.32 135.00 138.45 2fl1 s PRO 154 Ca 0.14 0.31 -0.09 0.00 0.04 0.00 0.00 61.00 61.40 2fl1 s PRO 154 Cb -0.11 -3.25 0.16 0.00 0.04 0.00 0.00 34.50 31.34 2fl1 s PRO 154 CO 0.04 0.62 0.51 0.42 0.04 0.00 0.00 177.00 178.63 2fl1 s ILE 155 N -0.80 4.55 0.03 0.56 -1.09 0.14 -4.93 121.20 119.67 2fl1 s ILE 155 Ca 0.22 -2.31 -0.13 0.00 -2.23 0.00 0.00 60.65 56.20 2fl1 s ILE 155 Cb -0.16 -3.92 -0.06 0.00 -1.58 0.00 0.00 42.46 36.74 2fl1 s ILE 155 CO 0.11 -0.89 1.21 0.78 -1.23 0.00 0.00 174.94 174.92 2fl1 h ASN 156 N 7.88 -0.53 -0.68 3.58 2.35 -1.96 0.37 115.58 126.59 2fl1 h ASN 156 Ca -0.07 0.04 0.10 0.00 -0.55 0.00 0.00 56.30 55.83 2fl1 h ASN 156 Cb 1.03 0.18 -0.11 0.00 0.05 0.00 0.00 38.32 39.47 2fl1 h ASN 156 CO 0.80 -0.24 -0.29 -1.20 -1.65 0.00 0.00 177.43 174.85 2fl1 n SER 157 N -3.48 -0.49 -0.52 5.81 7.64 -1.26 -0.53 113.62 120.80 2fl1 n SER 157 Ca -0.04 1.19 0.12 0.00 1.01 0.00 0.00 58.87 61.15 2fl1 n SER 157 Cb 0.17 -0.25 0.22 0.00 -1.01 0.00 0.00 64.21 63.33 2fl1 n SER 157 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fl1 n GLN 158 N -4.98 1.41 -3.45 1.43 1.13 -1.19 -5.01 117.38 106.72 2fl1 n GLN 158 Ca 0.06 -1.04 -0.20 0.00 -1.94 0.00 0.00 57.00 53.89 2fl1 n GLN 158 Cb 0.26 -1.48 0.06 0.00 0.11 0.00 0.00 30.24 29.19 2fl1 n GLN 158 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2fl1 n LYS 159 N 0.11 -3.37 -4.13 -1.09 5.02 0.13 -5.03 118.16 109.80 2fl1 n LYS 159 Ca 0.13 0.74 -0.13 0.00 -2.02 0.00 0.00 58.31 57.03 2fl1 n LYS 159 Cb 0.44 -5.40 -0.07 0.00 -0.02 0.00 0.00 35.03 29.98 2fl1 n LYS 159 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2fl1 s ILE 160 N -3.45 0.00 0.13 -0.18 -4.36 -0.98 -4.78 121.20 107.58 2fl1 s ILE 160 Ca 0.29 -1.75 0.09 0.00 -0.26 0.00 0.00 60.65 59.03 2fl1 s ILE 160 Cb -0.06 -2.44 -0.04 0.00 1.25 0.00 0.00 42.46 41.17 2fl1 s ILE 160 CO 0.77 0.00 -0.18 -0.76 0.24 0.00 0.00 174.94 175.01 2fl1 s LEU 161 N -3.16 2.67 -0.05 0.37 1.43 -0.62 0.26 118.68 119.58 2fl1 s LEU 161 Ca 0.33 -0.61 0.04 0.00 -1.03 0.00 0.00 54.13 52.86 2fl1 s LEU 161 Cb 0.03 -1.49 -0.02 0.00 0.03 0.00 0.00 46.19 44.74 2fl1 s LEU 161 CO 0.15 0.16 -0.17 -0.75 0.23 0.00 0.00 176.35 175.96 2fl1 s LYS 162 N -2.28 2.50 -0.07 1.70 2.20 0.56 0.17 119.74 124.51 2fl1 s LYS 162 Ca 0.19 -0.76 0.03 0.00 -0.36 0.00 0.00 55.97 55.06 2fl1 s LYS 162 Cb -0.10 -2.31 -0.02 0.00 -1.51 0.00 0.00 37.83 33.89 2fl1 s LYS 162 CO 0.10 0.56 -0.14 0.20 -0.36 0.00 0.00 175.35 175.71 2fl1 s GLY 163 N -0.57 1.52 -0.20 5.54 0.00 0.25 -1.25 107.32 112.61 2fl1 s GLY 163 Ca 0.08 -0.96 -0.05 0.00 0.00 0.00 0.00 44.72 43.80 2fl1 s GLY 163 CO 0.01 -0.59 0.09 -0.35 0.00 0.00 0.00 173.10 172.26 2fl1 s ASP 164 N -0.39 2.64 -0.06 1.64 3.68 -0.74 -1.17 116.67 122.27 2fl1 s ASP 164 Ca 0.04 -0.77 -0.03 0.00 2.13 0.00 0.00 52.55 53.92 2fl1 s ASP 164 Cb -0.12 -0.29 0.04 0.00 -1.45 0.00 0.00 42.92 41.09 2fl1 s ASP 164 CO 0.02 -0.37 0.13 0.54 0.13 0.00 0.00 175.17 175.63 2fl1 s VAL 165 N 2.11 -0.11 -0.33 1.11 0.11 -0.99 -1.09 120.40 121.22 2fl1 s VAL 165 Ca 0.03 0.25 -0.26 0.00 -2.93 0.00 0.00 61.98 59.07 2fl1 s VAL 165 Cb -0.16 -0.23 0.01 0.00 -1.53 0.00 0.00 36.38 34.47 2fl1 s VAL 165 CO -0.15 0.10 0.93 -0.44 -3.33 0.00 0.00 175.10 172.21 2fl1 s SER 166 N 1.51 6.77 0.06 3.54 0.01 -1.26 -1.48 113.70 122.85 2fl1 s SER 166 Ca -0.05 0.78 0.04 0.00 1.31 0.00 0.00 55.95 58.03 2fl1 s SER 166 Cb -0.12 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 2fl1 s SER 166 CO -0.05 -0.77 0.01 -0.04 0.41 0.00 0.00 173.24 172.79 2fl1 s MET 167 N 3.33 2.65 -0.11 12.44 -1.94 0.13 -4.85 119.30 130.96 2fl1 s MET 167 Ca 0.38 -0.75 0.00 0.00 -1.71 0.00 0.00 55.69 53.62 2fl1 s MET 167 Cb -0.13 -2.60 0.02 0.00 2.01 0.00 0.00 34.83 34.14 2fl1 s MET 167 CO 0.15 0.57 -0.10 0.71 -0.01 0.00 0.00 175.02 176.34 2fl1 s TYR 168 N -1.24 1.64 -0.46 -0.03 1.51 -1.26 0.11 117.35 117.62 2fl1 s TYR 168 Ca 0.24 -0.81 -0.18 0.00 -1.01 0.00 0.00 57.07 55.31 2fl1 s TYR 168 Cb -0.12 -1.28 0.04 0.00 -0.11 0.00 0.00 41.96 40.49 2fl1 s TYR 168 CO 0.16 -0.49 0.54 -1.17 -1.11 0.00 0.00 175.55 173.47 2fl1 s LEU 169 N 1.41 4.93 0.30 -1.29 2.96 -0.17 -1.01 118.68 125.81 2fl1 s LEU 169 Ca 0.00 -0.79 -0.29 0.00 -0.22 0.00 0.00 54.13 52.83 2fl1 s LEU 169 Cb -0.13 -2.44 -0.11 0.00 0.50 0.00 0.00 46.19 44.01 2fl1 s LEU 169 CO -0.06 -0.74 1.47 -0.76 -1.32 0.00 0.00 176.35 174.94 2fl1 s LEU 170 N 2.38 4.37 0.08 -0.68 1.43 0.16 -1.72 118.68 124.70 2fl1 s LEU 170 Ca 0.14 2.82 0.03 0.00 -1.03 0.00 0.00 54.13 56.09 2fl1 s LEU 170 Cb -0.18 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 2fl1 s LEU 170 CO 0.13 -0.77 0.06 -0.76 0.23 0.00 0.00 176.35 175.24 2fl1 s LEU 171 N -0.92 3.72 0.29 1.79 1.43 -0.37 -1.00 118.68 123.63 2fl1 s LEU 171 Ca 0.58 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.66 2fl1 s LEU 171 Cb -0.44 -2.41 0.62 0.00 0.03 0.00 0.00 46.19 43.98 2fl1 s LEU 171 CO 0.50 0.18 1.82 0.11 0.23 0.00 0.00 176.35 179.18 2fl1 h LYS 172 N 3.35 0.90 -0.15 1.70 1.57 -0.90 0.33 116.57 123.37 2fl1 h LYS 172 Ca -0.47 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 2fl1 h LYS 172 Cb 1.16 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2fl1 h LYS 172 CO 0.64 0.59 0.00 -0.40 -0.57 0.00 0.00 179.45 179.72 2fl1 n ASP 173 N -4.65 0.15 0.00 0.86 5.68 -1.26 -4.85 116.55 112.48 2fl1 n ASP 173 Ca 0.20 -1.80 0.00 0.00 -0.50 0.00 0.00 54.79 52.69 2fl1 n ASP 173 Cb 0.41 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 2fl1 n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2fl1 n GLY 174 N 0.34 2.02 3.85 6.12 0.00 0.12 -5.02 105.19 112.61 2fl1 n GLY 174 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2fl1 n GLY 174 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fl1 s GLY 175 N -1.99 1.60 -0.08 -0.02 0.00 -1.26 -4.77 107.32 100.81 2fl1 s GLY 175 Ca 0.00 -0.45 0.03 0.00 0.00 0.00 0.00 44.72 44.31 2fl1 s GLY 175 CO 0.00 0.02 -0.17 0.50 0.00 0.00 0.00 173.10 173.45 2fl1 s ARG 176 N -5.36 2.82 -0.50 2.90 0.52 -1.26 -1.24 118.95 116.83 2fl1 s ARG 176 Ca 0.61 -0.76 -0.04 0.00 -0.52 0.00 0.00 55.73 55.02 2fl1 s ARG 176 Cb -0.13 -2.39 0.13 0.00 0.52 0.00 0.00 34.95 33.08 2fl1 s ARG 176 CO 0.52 0.41 0.33 -0.47 0.02 0.00 0.00 175.30 176.10 2fl1 s TYR 177 N -0.19 3.51 0.53 -0.53 5.04 -0.70 -4.93 117.35 120.08 2fl1 s TYR 177 Ca -0.01 -2.39 -0.21 0.00 -2.44 0.00 0.00 57.07 52.02 2fl1 s TYR 177 Cb -0.13 -3.29 -0.06 0.00 0.35 0.00 0.00 41.96 38.83 2fl1 s TYR 177 CO 0.03 -0.94 1.23 0.50 -1.34 0.00 0.00 175.55 175.04 2fl1 s ARG 178 N 0.77 3.34 -0.13 4.97 3.52 -1.26 -1.00 118.95 129.15 2fl1 s ARG 178 Ca 0.11 1.91 -0.20 0.00 -0.13 0.00 0.00 55.73 57.42 2fl1 s ARG 178 Cb -0.22 -2.21 0.05 0.00 -1.56 0.00 0.00 34.95 31.01 2fl1 s ARG 178 CO -0.03 -0.93 0.51 0.00 -0.81 0.00 0.00 175.30 174.03 2fl1 s GLN 180 N -0.32 2.62 -0.17 0.00 -0.44 -1.20 0.19 119.66 120.34 2fl1 s GLN 180 Ca -0.05 -1.15 -0.22 0.00 -2.50 0.00 0.00 55.36 51.44 2fl1 s GLN 180 Cb -0.03 -3.24 -0.02 0.00 -1.64 0.00 0.00 33.01 28.07 2fl1 s GLN 180 CO 0.03 -0.58 0.68 -0.06 0.50 0.00 0.00 175.29 175.86 2fl1 s PHE 181 N 1.33 3.42 -0.20 1.67 0.40 -0.55 -3.96 117.98 120.09 2fl1 s PHE 181 Ca -0.03 1.04 0.01 0.00 -0.60 0.00 0.00 56.93 57.35 2fl1 s PHE 181 Cb -0.19 -2.84 0.05 0.00 0.51 0.00 0.00 43.02 40.55 2fl1 s PHE 181 CO -0.00 -0.14 -0.09 -0.51 0.70 0.00 0.00 175.22 175.18 2fl1 s ASP 182 N 1.12 3.39 0.14 1.36 -0.00 -0.81 -2.34 116.67 119.53 2fl1 s ASP 182 Ca 0.32 -0.90 0.08 0.00 -0.00 0.00 0.00 52.55 52.04 2fl1 s ASP 182 Cb -0.16 -1.18 -0.04 0.00 -0.00 0.00 0.00 42.92 41.54 2fl1 s ASP 182 CO 0.12 -0.16 -0.17 -0.89 -0.00 0.00 0.00 175.17 174.06 2fl1 s THR 183 N 1.43 1.65 -0.14 -1.27 2.01 -0.31 -2.05 115.64 116.95 2fl1 s THR 183 Ca -0.02 -1.81 0.00 0.00 0.31 0.00 0.00 61.69 60.18 2fl1 s THR 183 Cb -0.16 -1.71 0.02 0.00 0.01 0.00 0.00 72.50 70.66 2fl1 s THR 183 CO -0.08 -0.31 -0.12 -0.63 -0.69 0.00 0.00 174.62 172.79 2fl1 s ILE 184 N -1.96 1.37 -0.21 1.82 -1.09 -0.51 0.84 121.20 121.46 2fl1 s ILE 184 Ca 0.12 -0.51 -0.07 0.00 -2.23 0.00 0.00 60.65 57.97 2fl1 s ILE 184 Cb -0.06 -1.32 -0.03 0.00 -1.58 0.00 0.00 42.46 39.47 2fl1 s ILE 184 CO 0.05 0.42 0.05 -0.31 -1.23 0.00 0.00 174.94 173.91 2fl1 s TYR 185 N 1.57 3.12 -0.13 3.97 1.51 0.13 -1.80 117.35 125.71 2fl1 s TYR 185 Ca 0.05 -0.27 0.02 0.00 -1.01 0.00 0.00 57.07 55.86 2fl1 s TYR 185 Cb -0.13 -2.14 0.01 0.00 -0.11 0.00 0.00 41.96 39.60 2fl1 s TYR 185 CO -0.10 -0.16 -0.20 0.15 -1.11 0.00 0.00 175.55 174.14 2fl1 s LYS 186 N 1.02 2.78 0.21 -0.62 1.02 0.98 -1.58 119.74 123.55 2fl1 s LYS 186 Ca 0.03 -0.77 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 2fl1 s LYS 186 Cb -0.14 -2.28 -0.08 0.00 -0.52 0.00 0.00 37.83 34.80 2fl1 s LYS 186 CO 0.03 -0.04 0.95 0.00 -0.92 0.00 0.00 175.35 175.36 2fl1 s ALA 187 N 0.90 3.32 -2.00 5.17 0.00 -1.26 0.00 121.76 127.89 2fl1 s ALA 187 Ca -0.06 0.62 0.18 0.00 0.00 0.00 0.00 51.96 52.69 2fl1 s ALA 187 Cb -0.15 -3.23 1.07 0.00 0.00 0.00 0.00 23.12 20.81 2fl1 s ALA 187 CO -0.03 0.15 1.52 1.63 0.00 0.00 0.00 175.76 179.04 2fl1 n LYS 188 N 1.76 0.73 -3.76 0.00 5.02 -0.97 -4.64 118.16 116.31 2fl1 n LYS 188 Ca -0.01 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.11 2fl1 n LYS 188 Cb 0.47 -1.38 -0.17 0.00 -0.02 0.00 0.00 35.03 33.93 2fl1 n LYS 188 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2fl1 s THR 189 N -2.00 -0.02 -0.44 -0.18 -4.23 -1.26 -4.99 115.64 102.52 2fl1 s THR 189 Ca 0.27 0.27 -0.36 0.00 -1.18 0.00 0.00 61.69 60.69 2fl1 s THR 189 Cb 0.12 -0.15 -0.16 0.00 1.34 0.00 0.00 72.50 73.65 2fl1 s THR 189 CO 0.21 0.14 1.80 1.21 -0.54 0.00 0.00 174.62 177.44 2fl1 n GLU 190 N 4.60 0.00 -2.01 3.99 4.07 -1.26 -4.81 120.64 125.21 2fl1 n GLU 190 Ca -0.18 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.50 2fl1 n GLU 190 Cb 0.50 -1.24 -0.03 0.00 -0.06 0.00 0.00 31.44 30.61 2fl1 n GLU 190 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2fl1 s PRO 191 N 5.14 4.24 0.17 5.31 0.04 -1.26 -4.89 135.00 143.74 2fl1 s PRO 191 Ca 1.00 2.25 0.15 0.00 0.04 0.00 0.00 61.00 64.44 2fl1 s PRO 191 Cb -1.23 -3.36 -0.05 0.00 0.04 0.00 0.00 34.50 29.91 2fl1 s PRO 191 CO 0.54 -0.61 1.17 1.57 0.04 0.00 0.00 177.00 179.71 2fl1 h LYS 192 N 7.40 0.00 -3.24 4.56 -0.00 -1.97 -3.45 116.57 119.87 2fl1 h LYS 192 Ca -0.42 0.00 -0.29 0.00 -0.00 0.00 0.00 60.65 59.94 2fl1 h LYS 192 Cb 1.20 0.00 -0.34 0.00 -0.00 0.00 0.00 32.23 33.09 2fl1 h LYS 192 CO 0.91 0.46 -0.65 -2.00 -0.00 0.00 0.00 179.45 178.17 2fl1 s GLU 193 N -2.92 0.03 -0.15 0.07 2.12 -1.26 -5.14 118.70 111.44 2fl1 s GLU 193 Ca 0.01 0.42 -0.10 0.00 0.36 0.00 0.00 54.97 55.65 2fl1 s GLU 193 Cb 0.08 -0.27 -0.05 0.00 0.26 0.00 0.00 34.13 34.16 2fl1 s GLU 193 CO 0.78 -0.24 0.18 -1.64 -0.54 0.00 0.00 175.26 173.80 2fl1 s MET 194 N 1.69 3.93 0.71 4.30 -1.94 -1.26 -4.85 119.30 121.89 2fl1 s MET 194 Ca -0.03 -0.09 -0.11 0.00 -1.71 0.00 0.00 55.69 53.75 2fl1 s MET 194 Cb -0.12 -3.33 0.02 0.00 2.01 0.00 0.00 34.83 33.41 2fl1 s MET 194 CO -0.05 0.48 1.09 -1.25 -0.01 0.00 0.00 175.02 175.27 2fl1 s PRO 195 N -0.19 2.80 0.78 2.03 0.04 -1.26 -5.00 135.00 134.21 2fl1 s PRO 195 Ca 0.13 0.58 -0.09 0.00 0.04 0.00 0.00 61.00 61.66 2fl1 s PRO 195 Cb -0.12 -2.00 0.11 0.00 0.04 0.00 0.00 34.50 32.52 2fl1 s PRO 195 CO 0.02 -1.10 1.11 -0.51 0.04 0.00 0.00 177.00 176.56 2fl1 s ASP 196 N -4.19 4.30 0.82 6.66 1.11 -1.26 -4.63 116.67 119.48 2fl1 s ASP 196 Ca 0.58 0.35 -0.13 0.00 0.18 0.00 0.00 52.55 53.54 2fl1 s ASP 196 Cb -0.12 -0.80 0.09 0.00 1.07 0.00 0.00 42.92 43.16 2fl1 s ASP 196 CO 0.53 -1.95 1.20 -1.66 1.18 0.00 0.00 175.17 174.47 2fl1 s TRP 197 N -3.44 1.76 0.14 4.23 1.48 -1.26 -4.80 118.94 117.05 2fl1 s TRP 197 Ca 0.65 1.69 -0.25 0.00 -1.06 0.00 0.00 56.10 57.13 2fl1 s TRP 197 Cb -0.08 -3.47 0.08 0.00 -1.16 0.00 0.00 33.47 28.83 2fl1 s TRP 197 CO 0.47 -2.87 1.04 -3.38 -4.06 0.00 0.00 176.95 168.15 2fl1 s HIS 198 N -2.21 -0.03 0.22 1.66 -3.43 -0.62 -4.99 115.29 105.88 2fl1 s HIS 198 Ca 0.72 -0.28 0.07 0.00 -0.80 0.00 0.00 55.06 54.77 2fl1 s HIS 198 Cb -0.28 0.65 -0.04 0.00 -1.43 0.00 0.00 32.58 31.48 2fl1 s HIS 198 CO 0.52 -0.78 0.15 -0.06 -2.00 0.00 0.00 174.74 172.57 2fl1 s PHE 199 N -2.70 3.09 -0.22 0.38 2.99 -0.14 -0.37 117.98 121.00 2fl1 s PHE 199 Ca 0.17 -0.09 -0.04 0.00 0.00 0.00 0.00 56.93 56.97 2fl1 s PHE 199 Cb -0.01 -1.42 0.07 0.00 0.00 0.00 0.00 43.02 41.66 2fl1 s PHE 199 CO 0.03 0.53 0.10 0.42 -0.00 0.00 0.00 175.22 176.29 2fl1 s ILE 200 N -2.00 0.01 0.21 0.64 1.01 0.14 -1.85 121.20 119.36 2fl1 s ILE 200 Ca 0.32 -0.44 -0.22 0.00 0.00 0.00 0.00 60.65 60.31 2fl1 s ILE 200 Cb -0.09 -0.79 -0.08 0.00 0.01 0.00 0.00 42.46 41.51 2fl1 s ILE 200 CO 0.24 -0.44 0.76 -1.10 0.00 0.00 0.00 174.94 174.40 2fl1 s GLN 201 N 2.08 4.37 0.17 2.79 -0.21 -0.54 -0.53 119.66 127.80 2fl1 s GLN 201 Ca 0.04 0.99 0.06 0.00 0.02 0.00 0.00 55.36 56.47 2fl1 s GLN 201 Cb -0.16 -2.99 -0.05 0.00 1.00 0.00 0.00 33.01 30.81 2fl1 s GLN 201 CO -0.19 0.44 -0.11 -1.01 -2.12 0.00 0.00 175.29 172.30 2fl1 s HIS 202 N -1.41 1.44 -0.22 0.91 3.76 -0.35 -1.65 115.29 117.76 2fl1 s HIS 202 Ca 0.41 -0.70 -0.03 0.00 -0.15 0.00 0.00 55.06 54.59 2fl1 s HIS 202 Cb -0.19 -0.71 0.11 0.00 1.11 0.00 0.00 32.58 32.91 2fl1 s HIS 202 CO 0.23 0.17 0.31 0.21 -0.85 0.00 0.00 174.74 174.81 2fl1 s LYS 203 N -3.72 0.27 -0.13 1.40 2.20 -0.22 -2.18 119.74 117.36 2fl1 s LYS 203 Ca 0.19 0.39 0.01 0.00 -0.36 0.00 0.00 55.97 56.20 2fl1 s LYS 203 Cb 0.02 -0.81 0.02 0.00 -1.51 0.00 0.00 37.83 35.55 2fl1 s LYS 203 CO 0.03 -0.64 -0.17 -1.17 -0.36 0.00 0.00 175.35 173.04 2fl1 s LEU 204 N 2.44 1.83 0.04 5.43 2.96 -1.26 -1.14 118.68 128.99 2fl1 s LEU 204 Ca 0.10 -0.50 0.09 0.00 -0.22 0.00 0.00 54.13 53.59 2fl1 s LEU 204 Cb -0.16 -1.23 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 2fl1 s LEU 204 CO -0.14 0.01 -0.25 0.20 -1.32 0.00 0.00 176.35 174.85 2fl1 s ASN 205 N 1.11 2.98 -0.09 3.68 0.01 -0.77 -4.33 114.94 117.53 2fl1 s ASN 205 Ca -0.02 -0.57 0.03 0.00 -0.71 0.00 0.00 52.86 51.59 2fl1 s ASN 205 Cb -0.14 -0.27 -0.01 0.00 0.41 0.00 0.00 41.25 41.24 2fl1 s ASN 205 CO -0.05 0.24 -0.20 -0.60 -1.51 0.00 0.00 177.10 174.97 2fl1 s ARG 206 N -1.19 2.95 -0.17 -0.60 3.52 -1.26 -1.74 118.95 120.46 2fl1 s ARG 206 Ca 0.11 -0.82 0.01 0.00 -0.13 0.00 0.00 55.73 54.89 2fl1 s ARG 206 Cb -0.10 -2.36 0.03 0.00 -1.56 0.00 0.00 34.95 30.97 2fl1 s ARG 206 CO 0.02 0.29 -0.14 -2.00 -0.81 0.00 0.00 175.30 172.66 2fl1 s GLU 207 N 0.10 2.33 -0.06 5.12 2.12 0.06 -4.97 118.70 123.40 2fl1 s GLU 207 Ca -0.10 -0.73 -0.30 0.00 0.36 0.00 0.00 54.97 54.21 2fl1 s GLU 207 Cb -0.16 -2.32 -0.04 0.00 0.26 0.00 0.00 34.13 31.87 2fl1 s GLU 207 CO 0.06 -0.31 1.45 0.34 -0.54 0.00 0.00 175.26 176.26 2fl1 s ASP 208 N 1.41 6.81 -0.17 -1.70 3.68 -1.26 -0.78 116.67 124.66 2fl1 s ASP 208 Ca 0.02 2.05 0.17 0.00 2.13 0.00 0.00 52.55 56.92 2fl1 s ASP 208 Cb -0.14 -2.55 0.41 0.00 -1.45 0.00 0.00 42.92 39.19 2fl1 s ASP 208 CO -0.10 -0.80 1.29 0.54 0.13 0.00 0.00 175.17 176.23 2fl1 n ARG 209 N 6.27 1.95 -1.60 4.34 5.12 0.78 -4.95 116.66 128.57 2fl1 n ARG 209 Ca 0.15 -2.80 -0.34 0.00 -1.93 0.00 0.00 57.85 52.93 2fl1 n ARG 209 Cb 0.44 -1.67 0.07 0.00 -1.16 0.00 0.00 32.46 30.14 2fl1 n ARG 209 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2fl1 s SER 210 N -2.54 4.59 0.11 0.55 0.01 -0.55 -4.52 113.70 111.36 2fl1 s SER 210 Ca 0.37 2.24 0.00 0.00 1.31 0.00 0.00 55.95 59.88 2fl1 s SER 210 Cb 0.32 -2.58 -0.00 0.00 0.21 0.00 0.00 66.02 63.97 2fl1 s SER 210 CO 0.04 -1.99 0.13 -0.90 0.41 0.00 0.00 173.24 170.93 2fl1 n ASP 211 N -2.51 -0.36 0.15 2.44 5.68 0.02 -4.93 116.55 117.04 2fl1 n ASP 211 Ca 0.12 -1.63 0.11 0.00 -0.50 0.00 0.00 54.79 52.90 2fl1 n ASP 211 Cb 0.51 0.71 0.55 0.00 -1.14 0.00 0.00 41.12 41.75 2fl1 n ASP 211 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2fl1 n ALA 212 N -2.27 1.28 -0.09 2.12 0.00 -1.26 -3.48 120.51 116.80 2fl1 n ALA 212 Ca -0.04 0.16 -0.17 0.00 0.00 0.00 0.00 53.44 53.38 2fl1 n ALA 212 Cb 0.19 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.24 2fl1 n ALA 212 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2fl1 n LYS 213 N -2.25 0.43 -4.34 0.00 4.81 -1.26 -5.06 118.16 110.49 2fl1 n LYS 213 Ca -0.00 0.18 -0.25 0.00 -0.87 0.00 0.00 58.31 57.37 2fl1 n LYS 213 Cb 0.11 -1.23 -0.12 0.00 0.02 0.00 0.00 35.03 33.81 2fl1 n LYS 213 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2fl1 s ASN 214 N -6.56 2.86 -0.31 3.14 0.02 -1.23 -5.10 114.94 107.77 2fl1 s ASN 214 Ca -0.27 -0.78 -0.14 0.00 -1.02 0.00 0.00 52.86 50.66 2fl1 s ASN 214 Cb 0.08 -0.18 -0.03 0.00 0.02 0.00 0.00 41.25 41.15 2fl1 s ASN 214 CO 0.35 0.06 0.33 -1.58 0.02 0.00 0.00 177.10 176.28 2fl1 s GLN 215 N -2.30 3.77 0.08 -0.60 0.74 -1.26 -0.80 119.66 119.29 2fl1 s GLN 215 Ca 0.13 -0.27 -0.12 0.00 0.05 0.00 0.00 55.36 55.15 2fl1 s GLN 215 Cb -0.08 -3.73 0.01 0.00 1.10 0.00 0.00 33.01 30.31 2fl1 s GLN 215 CO 0.06 -0.38 0.27 -1.59 -0.55 0.00 0.00 175.29 173.10 2fl1 s LYS 216 N 1.97 0.88 0.23 1.67 -2.85 -1.26 -1.73 119.74 118.64 2fl1 s LYS 216 Ca 0.12 -0.77 -0.22 0.00 -1.00 0.00 0.00 55.97 54.09 2fl1 s LYS 216 Cb -0.16 0.37 0.04 0.00 -2.06 0.00 0.00 37.83 36.02 2fl1 s LYS 216 CO 0.11 -0.30 0.75 1.67 0.10 0.00 0.00 175.35 177.68 2fl1 s TRP 217 N -3.46 -0.25 0.03 1.78 -2.14 -0.75 -0.16 118.94 113.99 2fl1 s TRP 217 Ca 0.02 -0.13 0.09 0.00 2.66 0.00 0.00 56.10 58.73 2fl1 s TRP 217 Cb 0.02 0.67 -0.03 0.00 -3.10 0.00 0.00 33.47 31.03 2fl1 s TRP 217 CO -0.09 -1.07 -0.26 -1.14 -2.66 0.00 0.00 176.95 171.72 2fl1 s GLN 218 N -3.75 1.87 -0.10 3.25 0.74 0.04 -1.59 119.66 120.12 2fl1 s GLN 218 Ca 0.09 -1.06 0.02 0.00 0.05 0.00 0.00 55.36 54.46 2fl1 s GLN 218 Cb -0.04 -1.99 0.01 0.00 1.10 0.00 0.00 33.01 32.09 2fl1 s GLN 218 CO 0.02 0.52 -0.16 -0.51 -0.55 0.00 0.00 175.29 174.61 2fl1 s LEU 219 N -1.08 1.76 -0.23 3.68 1.43 0.24 -0.76 118.68 123.72 2fl1 s LEU 219 Ca 0.11 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 52.76 2fl1 s LEU 219 Cb -0.10 -1.07 0.00 0.00 0.03 0.00 0.00 46.19 45.05 2fl1 s LEU 219 CO 0.01 0.04 -0.05 -0.63 0.23 0.00 0.00 176.35 175.96 2fl1 s ILE 220 N 0.79 3.22 -0.08 -0.59 1.01 -0.71 -0.63 121.20 124.20 2fl1 s ILE 220 Ca -0.11 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 59.93 2fl1 s ILE 220 Cb -0.16 -2.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 2fl1 s ILE 220 CO 0.02 0.37 -0.15 -0.70 0.00 0.00 0.00 174.94 174.48 2fl1 s GLU 221 N 1.44 2.86 -0.12 2.79 2.12 -0.81 -1.84 118.70 125.14 2fl1 s GLU 221 Ca 0.05 -0.71 -0.01 0.00 0.36 0.00 0.00 54.97 54.66 2fl1 s GLU 221 Cb -0.15 -2.46 0.03 0.00 0.26 0.00 0.00 34.13 31.81 2fl1 s GLU 221 CO -0.04 0.44 -0.05 -1.58 -0.54 0.00 0.00 175.26 173.49 2fl1 s HIS 222 N -0.25 1.36 0.01 5.30 5.65 -0.29 -1.73 115.29 125.35 2fl1 s HIS 222 Ca 0.01 -0.73 0.03 0.00 0.25 0.00 0.00 55.06 54.62 2fl1 s HIS 222 Cb -0.13 -1.16 -0.01 0.00 -1.18 0.00 0.00 32.58 30.09 2fl1 s HIS 222 CO 0.03 -0.51 -0.10 0.00 -0.65 0.00 0.00 174.74 173.51 2fl1 s ALA 223 N 1.75 0.83 -0.09 1.58 0.00 -0.03 -1.06 121.76 124.74 2fl1 s ALA 223 Ca 0.04 -0.57 -0.06 0.00 0.00 0.00 0.00 51.96 51.37 2fl1 s ALA 223 Cb -0.13 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 22.87 2fl1 s ALA 223 CO -0.08 0.16 0.21 -1.50 0.00 0.00 0.00 175.76 174.56 2fl1 s ILE 224 N -0.58 -0.02 0.46 0.00 2.07 -0.66 -2.15 121.20 120.32 2fl1 s ILE 224 Ca 0.01 0.08 -0.03 0.00 -1.41 0.00 0.00 60.65 59.30 2fl1 s ILE 224 Cb -0.06 -0.32 -0.03 0.00 0.13 0.00 0.00 42.46 42.19 2fl1 s ILE 224 CO 0.00 0.03 0.73 0.00 -1.91 0.00 0.00 174.94 173.80 2fl1 s ALA 225 N 0.71 3.50 -0.05 1.50 0.00 -0.11 -1.47 121.76 125.83 2fl1 s ALA 225 Ca -0.05 -0.68 -0.22 0.00 0.00 0.00 0.00 51.96 51.01 2fl1 s ALA 225 Cb -0.06 -2.43 0.07 0.00 0.00 0.00 0.00 23.12 20.70 2fl1 s ALA 225 CO -0.04 -0.33 0.98 -1.13 0.00 0.00 0.00 175.76 175.24 2fl1 n SER 226 N -2.17 -0.78 -1.53 0.00 3.41 -0.77 -4.60 113.62 107.18 2fl1 n SER 226 Ca -0.00 -1.06 0.00 0.00 -0.26 0.00 0.00 58.87 57.55 2fl1 n SER 226 Cb 0.56 1.18 0.00 0.00 -0.26 0.00 0.00 64.21 65.69 2fl1 n SER 226 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2fl1 n ARG 227 N -0.71 2.20 -1.66 4.33 1.74 -1.26 -0.97 116.66 120.33 2fl1 n ARG 227 Ca 0.04 0.00 -0.48 0.00 -0.77 0.00 0.00 57.85 56.65 2fl1 n ARG 227 Cb 0.42 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.82 2fl1 n ARG 227 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2fl1 n SER 228 N -0.93 2.93 0.27 0.55 2.88 -1.26 -4.81 113.62 113.24 2fl1 n SER 228 Ca 0.00 1.07 0.13 0.00 -1.33 0.00 0.00 58.87 58.74 2fl1 n SER 228 Cb 0.00 -1.37 0.76 0.00 -0.75 0.00 0.00 64.21 62.85 2fl1 n SER 228 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2fl1 h ALA 229 N 6.42 1.33 -2.68 -1.46 0.00 -2.06 -3.41 119.26 117.39 2fl1 h ALA 229 Ca -0.46 -0.09 -0.51 0.00 0.00 0.00 0.00 54.91 53.86 2fl1 h ALA 229 Cb 1.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2fl1 h ALA 229 CO 0.89 0.12 0.41 -0.51 0.00 0.00 0.00 179.25 180.15 2fl1 s LEU 230 N -7.37 4.55 0.00 0.00 1.43 -1.26 -5.32 118.68 110.72 2fl1 s LEU 230 Ca -0.03 2.00 0.07 0.00 -1.03 0.00 0.00 54.13 55.13 2fl1 s LEU 230 Cb 0.14 -3.61 0.40 0.00 0.03 0.00 0.00 46.19 43.15 2fl1 s LEU 230 CO 0.58 -0.05 0.86 -0.81 0.23 0.00 0.00 176.35 177.16