#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 2.84 -0.58 -1.46 0.00 -1.26 -3.63 121.76 117.66 2fl1 s ALA 5 Ca 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 51.96 49.57 2fl1 s ALA 5 Cb 0.00 -4.52 0.00 0.00 0.00 0.00 0.00 23.12 18.60 2fl1 s ALA 5 CO 0.00 -3.54 0.00 0.72 0.00 0.00 0.00 175.76 172.94 2fl1 n HIS 6 N 8.69 0.00 -0.97 0.00 -0.00 -1.26 -3.02 115.22 118.66 2fl1 n HIS 6 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.07 2fl1 n HIS 6 Cb 0.50 -1.36 0.00 0.00 -0.00 0.00 0.00 29.99 29.13 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 -1.89 0.62 3.93 -1.41 0.00 -1.24 -3.12 105.19 102.08 2fl1 n GLY 7 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 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 4.29 0.27 0.99 1.43 -1.17 -4.71 118.68 119.77 2fl1 s LEU 8 Ca 0.00 0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.46 2fl1 s LEU 8 Cb 0.00 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.10 2fl1 s LEU 8 CO 0.00 0.04 0.16 0.42 0.23 0.00 0.00 176.35 177.19 2fl1 s THR 9 N -1.74 0.22 -2.10 5.49 -4.23 -1.26 -4.32 115.64 107.70 2fl1 s THR 9 Ca 0.37 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.02 2fl1 s THR 9 Cb -0.12 -2.53 0.35 0.00 1.34 0.00 0.00 72.50 71.55 2fl1 s THR 9 CO 0.28 0.00 1.39 -0.90 -0.54 0.00 0.00 174.62 174.85 2fl1 n ASP 10 N -0.74 1.31 -3.18 3.99 3.85 -1.26 -4.31 116.55 116.21 2fl1 n ASP 10 Ca 0.02 -1.81 -0.16 0.00 -0.71 0.00 0.00 54.79 52.12 2fl1 n ASP 10 Cb 0.65 -0.13 -0.06 0.00 -1.35 0.00 0.00 41.12 40.24 2fl1 n ASP 10 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2fl1 s ASP 11 N -1.29 0.36 0.42 -1.12 3.68 -1.25 -4.15 116.67 113.33 2fl1 s ASP 11 Ca 0.24 -2.18 0.07 0.00 2.13 0.00 0.00 52.55 52.82 2fl1 s ASP 11 Cb 0.13 0.64 -0.04 0.00 -1.45 0.00 0.00 42.92 42.20 2fl1 s ASP 11 CO 0.18 -0.16 0.27 -0.04 0.13 0.00 0.00 175.17 175.56 2fl1 s MET 12 N 0.74 2.35 0.36 4.34 -1.94 -0.62 -4.93 119.30 119.60 2fl1 s MET 12 Ca 0.27 -1.73 0.09 0.00 -1.71 0.00 0.00 55.69 52.61 2fl1 s MET 12 Cb -0.03 -2.15 -0.06 0.00 2.01 0.00 0.00 34.83 34.60 2fl1 s MET 12 CO -0.10 -0.17 0.01 0.95 -0.01 0.00 0.00 175.02 175.70 2fl1 s THR 13 N -2.56 2.44 0.07 2.05 -4.23 -1.07 -1.53 115.64 110.82 2fl1 s THR 13 Ca 0.44 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 2fl1 s THR 13 Cb 0.01 -2.81 -0.03 0.00 1.34 0.00 0.00 72.50 71.00 2fl1 s THR 13 CO 0.25 -0.15 -0.06 -0.04 -0.54 0.00 0.00 174.62 174.07 2fl1 s MET 14 N -3.71 0.68 -0.10 3.99 -1.94 -0.25 -1.25 119.30 116.71 2fl1 s MET 14 Ca 0.35 -1.09 0.01 0.00 -1.71 0.00 0.00 55.69 53.25 2fl1 s MET 14 Cb 0.02 -0.17 0.02 0.00 2.01 0.00 0.00 34.83 36.71 2fl1 s MET 14 CO 0.19 -0.01 -0.13 -1.58 -0.01 0.00 0.00 175.02 173.49 2fl1 s HIS 15 N -2.80 1.76 -0.05 -0.03 2.46 0.07 -2.42 115.29 114.28 2fl1 s HIS 15 Ca 0.02 -0.83 0.05 0.00 0.47 0.00 0.00 55.06 54.77 2fl1 s HIS 15 Cb -0.00 -1.32 -0.02 0.00 -0.13 0.00 0.00 32.58 31.11 2fl1 s HIS 15 CO -0.03 -0.46 -0.18 -0.06 -2.47 0.00 0.00 174.74 171.53 2fl1 s PHE 16 N 1.14 2.60 -0.18 3.88 0.08 0.88 -0.37 117.98 126.02 2fl1 s PHE 16 Ca -0.04 -0.31 -0.04 0.00 0.12 0.00 0.00 56.93 56.65 2fl1 s PHE 16 Cb -0.14 -1.61 0.09 0.00 -0.57 0.00 0.00 43.02 40.78 2fl1 s PHE 16 CO -0.03 0.07 0.29 0.50 -0.10 0.00 0.00 175.22 175.95 2fl1 s ARG 17 N -0.57 0.22 0.01 0.44 3.52 -0.82 -1.30 118.95 120.44 2fl1 s ARG 17 Ca 0.08 0.60 0.08 0.00 -0.13 0.00 0.00 55.73 56.36 2fl1 s ARG 17 Cb -0.11 -0.38 -0.03 0.00 -1.56 0.00 0.00 34.95 32.87 2fl1 s ARG 17 CO 0.01 -0.45 -0.24 1.41 -0.81 0.00 0.00 175.30 175.22 2fl1 s MET 18 N 2.44 2.02 -0.03 5.12 -2.45 0.11 -1.64 119.30 124.85 2fl1 s MET 18 Ca 0.05 -0.99 0.04 0.00 -1.25 0.00 0.00 55.69 53.53 2fl1 s MET 18 Cb -0.14 -2.07 -0.00 0.00 1.25 0.00 0.00 34.83 33.87 2fl1 s MET 18 CO -0.11 0.54 -0.14 -1.21 1.05 0.00 0.00 175.02 175.15 2fl1 s GLU 19 N -1.00 1.42 0.27 4.11 2.02 -0.54 -0.35 118.70 124.63 2fl1 s GLU 19 Ca 0.12 -0.48 -0.14 0.00 0.02 0.00 0.00 54.97 54.48 2fl1 s GLU 19 Cb -0.10 -1.27 0.05 0.00 0.10 0.00 0.00 34.13 32.91 2fl1 s GLU 19 CO 0.01 0.20 0.71 0.41 0.02 0.00 0.00 175.26 176.61 2fl1 n GLY 20 N 3.18 1.02 3.57 -1.39 0.00 -0.70 -1.47 105.19 109.40 2fl1 n GLY 20 Ca -0.18 -1.18 -0.06 0.00 0.00 0.00 0.00 46.02 44.61 2fl1 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fl1 s VAL 22 N 2.07 1.93 -1.52 0.00 1.01 -0.86 -1.93 120.40 121.11 2fl1 s VAL 22 Ca -0.08 -1.21 -0.13 0.00 0.00 0.00 0.00 61.98 60.55 2fl1 s VAL 22 Cb -0.08 -1.95 0.08 0.00 0.00 0.00 0.00 36.38 34.43 2fl1 s VAL 22 CO -0.18 0.19 1.00 0.47 0.00 0.00 0.00 175.10 176.58 2fl1 n ASP 23 N 4.58 -5.03 0.00 3.32 8.00 -0.88 -1.75 116.55 124.79 2fl1 n ASP 23 Ca -0.16 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.60 2fl1 n ASP 23 Cb 0.46 -4.01 0.00 0.00 -0.02 0.00 0.00 41.12 37.55 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 -1.72 3.28 3.55 0.44 0.00 -1.26 -5.01 105.19 104.47 2fl1 n GLY 24 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.32 2.67 0.70 1.61 5.04 -0.72 -5.02 115.29 117.26 2fl1 s HIS 25 Ca 0.00 0.19 -0.11 0.00 -1.54 0.00 0.00 55.06 53.60 2fl1 s HIS 25 Cb 0.00 -4.33 0.01 0.00 0.04 0.00 0.00 32.58 28.30 2fl1 s HIS 25 CO 0.00 -1.51 1.06 0.15 -2.34 0.00 0.00 174.74 172.10 2fl1 s LYS 26 N 4.54 2.93 -0.07 2.88 1.02 -1.26 -2.03 119.74 127.75 2fl1 s LYS 26 Ca 0.37 0.95 -0.30 0.00 0.02 0.00 0.00 55.97 57.01 2fl1 s LYS 26 Cb -0.10 -1.99 0.11 0.00 -0.52 0.00 0.00 37.83 35.34 2fl1 s LYS 26 CO 0.22 -1.10 0.98 -0.59 -0.92 0.00 0.00 175.35 173.93 2fl1 s PHE 27 N -3.05 -0.30 0.01 3.18 -0.12 -0.73 -4.35 117.98 112.62 2fl1 s PHE 27 Ca 0.58 0.24 0.01 0.00 -0.05 0.00 0.00 56.93 57.71 2fl1 s PHE 27 Cb -0.14 0.52 -0.01 0.00 -0.63 0.00 0.00 43.02 42.76 2fl1 s PHE 27 CO 0.55 -0.44 -0.04 0.08 -0.05 0.00 0.00 175.22 175.32 2fl1 s VAL 28 N -2.67 0.29 -0.01 -2.49 1.01 0.41 -1.73 120.40 115.22 2fl1 s VAL 28 Ca 0.05 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.69 2fl1 s VAL 28 Cb -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 2fl1 s VAL 28 CO -0.07 -0.05 -0.09 -0.63 0.00 0.00 0.00 175.10 174.27 2fl1 s ILE 29 N -0.42 0.68 0.14 2.22 1.01 0.53 -2.00 121.20 123.36 2fl1 s ILE 29 Ca -0.02 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.32 2fl1 s ILE 29 Cb -0.03 -0.57 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 2fl1 s ILE 29 CO -0.00 0.19 -0.11 -1.61 0.00 0.00 0.00 174.94 173.41 2fl1 s GLU 30 N -0.17 1.06 0.00 2.79 2.02 -0.87 0.04 118.70 123.57 2fl1 s GLU 30 Ca 0.03 -1.41 0.00 0.00 0.02 0.00 0.00 54.97 53.61 2fl1 s GLU 30 Cb -0.04 -0.70 0.00 0.00 0.10 0.00 0.00 34.13 33.49 2fl1 s GLU 30 CO -0.00 0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.79 2fl1 n GLY 31 N -0.05 -1.17 1.15 -1.39 0.00 -0.42 -1.17 105.19 102.15 2fl1 n GLY 31 Ca -0.11 -0.94 -0.05 0.00 0.00 0.00 0.00 46.02 44.93 2fl1 n GLY 31 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2fl1 n ASN 32 N 0.07 -0.51 0.00 1.61 0.23 -0.68 -0.08 115.26 115.90 2fl1 n ASN 32 Ca 0.00 -1.62 0.00 0.00 -0.53 0.00 0.00 54.58 52.43 2fl1 n ASN 32 Cb 0.00 0.92 0.00 0.00 -2.08 0.00 0.00 39.78 38.62 2fl1 n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2fl1 n GLY 33 N -0.19 -1.31 3.24 4.83 0.00 -1.02 -0.43 105.19 110.31 2fl1 n GLY 33 Ca -0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.60 -0.02 0.02 1.61 4.22 -0.85 -1.09 114.94 115.23 2fl1 s ASN 34 Ca 0.00 -0.44 -0.29 0.00 -2.14 0.00 0.00 52.86 49.99 2fl1 s ASN 34 Cb 0.00 0.37 0.11 0.00 1.28 0.00 0.00 41.25 43.01 2fl1 s ASN 34 CO 0.00 -0.71 1.23 -0.83 -2.04 0.00 0.00 177.10 174.74 2fl1 s GLY 35 N -2.58 -0.38 -0.36 0.45 0.00 -0.58 -0.55 107.32 103.31 2fl1 s GLY 35 Ca 0.01 0.58 0.03 0.00 0.00 0.00 0.00 44.72 45.35 2fl1 s GLY 35 CO -0.09 0.10 0.08 0.21 0.00 0.00 0.00 173.10 173.40 2fl1 s ASN 36 N -2.97 4.83 0.31 1.64 3.84 0.13 -1.59 114.94 121.12 2fl1 s ASN 36 Ca 0.14 -2.16 0.01 0.00 0.21 0.00 0.00 52.86 51.06 2fl1 s ASN 36 Cb 0.04 -1.66 0.55 0.00 -0.55 0.00 0.00 41.25 39.63 2fl1 s ASN 36 CO -0.03 -0.40 1.91 -0.65 -2.79 0.00 0.00 177.10 175.15 2fl1 h PRO 37 N 7.64 0.97 0.00 0.43 0.11 -1.79 -1.96 132.00 137.40 2fl1 h PRO 37 Ca -0.05 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 2fl1 h PRO 37 Cb 1.02 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 2fl1 h PRO 37 CO 0.55 0.64 -0.00 0.74 -0.21 0.00 0.00 178.00 179.72 2fl1 h PHE 38 N 1.00 0.00 -0.17 0.65 -1.00 -1.85 -0.80 116.94 114.77 2fl1 h PHE 38 Ca 0.39 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.17 2fl1 h PHE 38 Cb 0.23 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.79 2fl1 h PHE 38 CO -0.00 0.00 0.00 1.63 -1.61 0.00 0.00 178.31 178.33 2fl1 n LYS 39 N -3.15 2.53 -4.13 1.51 5.02 -0.78 -4.59 118.16 114.57 2fl1 n LYS 39 Ca -0.02 -2.36 -0.30 0.00 -2.02 0.00 0.00 58.31 53.61 2fl1 n LYS 39 Cb 0.11 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.60 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 -0.49 -0.24 3.00 0.72 0.00 -0.30 -4.53 105.19 103.34 2fl1 n GLY 40 Ca 0.14 0.15 -0.23 0.00 0.00 0.00 0.00 46.02 46.08 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 -6.89 1.32 -0.05 1.61 2.20 -1.04 -0.97 119.74 115.93 2fl1 s LYS 41 Ca 0.18 -0.34 -0.18 0.00 -0.36 0.00 0.00 55.97 55.28 2fl1 s LYS 41 Cb -0.10 -1.16 0.04 0.00 -1.51 0.00 0.00 37.83 35.10 2fl1 s LYS 41 CO 0.93 0.05 0.40 1.14 -0.36 0.00 0.00 175.35 177.51 2fl1 s GLN 42 N 0.53 0.71 -0.16 4.03 -2.07 -0.74 -0.69 119.66 121.25 2fl1 s GLN 42 Ca -0.10 0.05 -0.00 0.00 -1.82 0.00 0.00 55.36 53.49 2fl1 s GLN 42 Cb -0.13 0.32 0.00 0.00 -1.09 0.00 0.00 33.01 32.11 2fl1 s GLN 42 CO 0.02 -0.19 -0.15 -0.06 -1.32 0.00 0.00 175.29 173.59 2fl1 s PHE 43 N -1.00 2.80 -0.10 9.60 0.40 0.28 -1.96 117.98 128.00 2fl1 s PHE 43 Ca -0.10 -1.11 0.03 0.00 -0.60 0.00 0.00 56.93 55.15 2fl1 s PHE 43 Cb -0.04 -1.91 -0.01 0.00 0.51 0.00 0.00 43.02 41.57 2fl1 s PHE 43 CO 0.05 -0.52 -0.19 0.42 0.70 0.00 0.00 175.22 175.67 2fl1 s ILE 44 N 0.93 2.50 -0.25 0.64 1.01 0.43 -2.00 121.20 124.47 2fl1 s ILE 44 Ca -0.03 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.77 2fl1 s ILE 44 Cb -0.15 -1.99 0.05 0.00 0.01 0.00 0.00 42.46 40.37 2fl1 s ILE 44 CO -0.02 0.55 -0.11 0.20 0.00 0.00 0.00 174.94 175.56 2fl1 s ASN 45 N 0.22 4.19 0.16 3.58 0.01 0.43 -0.23 114.94 123.31 2fl1 s ASN 45 Ca -0.12 -1.15 0.08 0.00 -0.71 0.00 0.00 52.86 50.96 2fl1 s ASN 45 Cb -0.16 -1.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.89 2fl1 s ASN 45 CO 0.07 -0.15 -0.08 -0.76 -1.51 0.00 0.00 177.10 174.67 2fl1 s LEU 46 N 1.19 3.04 -0.08 0.60 1.43 -0.21 -1.68 118.68 122.96 2fl1 s LEU 46 Ca -0.04 -0.51 -0.05 0.00 -1.03 0.00 0.00 54.13 52.50 2fl1 s LEU 46 Cb -0.18 -1.74 0.04 0.00 0.03 0.00 0.00 46.19 44.33 2fl1 s LEU 46 CO -0.06 0.12 0.20 0.00 0.23 0.00 0.00 176.35 176.84 2fl1 s VAL 48 N 0.86 4.37 -1.00 0.00 1.01 -0.42 -2.04 120.40 123.18 2fl1 s VAL 48 Ca -0.06 0.88 0.23 0.00 0.00 0.00 0.00 61.98 63.02 2fl1 s VAL 48 Cb -0.08 -4.50 -0.13 0.00 0.00 0.00 0.00 36.38 31.67 2fl1 s VAL 48 CO -0.05 -0.92 1.11 2.30 0.00 0.00 0.00 175.10 177.55 2fl1 n ILE 49 N 6.56 0.00 -3.69 2.22 -5.35 -0.85 -4.62 119.36 113.64 2fl1 n ILE 49 Ca 0.08 -0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.45 2fl1 n ILE 49 Cb 0.49 0.68 -0.11 0.00 -1.74 0.00 0.00 39.64 38.96 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 -3.00 0.36 0.00 6.28 2.02 -1.04 -4.88 118.70 118.44 2fl1 s GLU 50 Ca 0.09 0.80 0.00 0.00 0.02 0.00 0.00 54.97 55.88 2fl1 s GLU 50 Cb 0.17 0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.41 2fl1 s GLU 50 CO 0.80 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 176.31 2fl1 n GLY 51 N 4.45 0.65 3.79 -1.39 0.00 -1.26 -0.44 105.19 110.98 2fl1 n GLY 51 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.30 2.57 0.16 -0.02 0.00 -1.26 -3.73 107.32 103.73 2fl1 s GLY 52 Ca 0.00 0.66 -0.26 0.00 0.00 0.00 0.00 44.72 45.12 2fl1 s GLY 52 CO 0.00 1.00 0.80 2.56 0.00 0.00 0.00 173.10 177.46 2fl1 s PRO 53 N -3.11 4.59 0.23 2.90 0.04 -1.26 -5.09 135.00 133.30 2fl1 s PRO 53 Ca 0.66 1.19 -0.32 0.00 0.04 0.00 0.00 61.00 62.58 2fl1 s PRO 53 Cb -0.18 -3.28 -0.12 0.00 0.04 0.00 0.00 34.50 30.96 2fl1 s PRO 53 CO 0.22 0.53 1.63 1.28 0.04 0.00 0.00 177.00 180.70 2fl1 n LEU 54 N 1.74 3.85 0.10 -3.56 4.77 -1.24 -4.88 117.00 117.78 2fl1 n LEU 54 Ca -0.05 1.10 0.13 0.00 -0.03 0.00 0.00 56.01 57.16 2fl1 n LEU 54 Cb 0.49 -1.54 0.44 0.00 -2.33 0.00 0.00 43.42 40.48 2fl1 n LEU 54 CO 0.47 0.03 0.88 -0.81 -1.33 0.00 0.00 177.39 176.63 2fl1 n PRO 55 N 3.19 0.22 -4.22 3.23 -0.04 -1.26 -4.80 135.00 131.31 2fl1 n PRO 55 Ca 0.14 0.25 -0.29 0.00 -0.04 0.00 0.00 63.50 63.55 2fl1 n PRO 55 Cb 0.34 -1.79 -0.09 0.00 -0.04 0.00 0.00 33.50 31.92 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 -3.14 2.77 0.27 0.54 -0.12 -1.26 -4.73 117.98 112.31 2fl1 s PHE 56 Ca 0.09 -0.15 -0.30 0.00 -0.05 0.00 0.00 56.93 56.53 2fl1 s PHE 56 Cb 0.12 -1.42 -0.14 0.00 -0.63 0.00 0.00 43.02 40.96 2fl1 s PHE 56 CO 0.53 0.46 1.23 0.45 -0.05 0.00 0.00 175.22 177.84 2fl1 n SER 57 N 0.48 2.16 0.06 1.98 2.88 -0.61 -4.85 113.62 115.72 2fl1 n SER 57 Ca -0.12 1.17 0.10 0.00 -1.33 0.00 0.00 58.87 58.68 2fl1 n SER 57 Cb 0.53 -1.38 0.40 0.00 -0.75 0.00 0.00 64.21 63.02 2fl1 n SER 57 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2fl1 n GLU 58 N 1.22 0.09 0.22 -1.46 0.28 -1.26 -3.29 120.64 116.44 2fl1 n GLU 58 Ca 0.10 0.30 0.06 0.00 -0.16 0.00 0.00 57.16 57.46 2fl1 n GLU 58 Cb 0.32 -1.66 0.52 0.00 1.43 0.00 0.00 31.44 32.05 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 0.02 0.75 -1.84 3.32 -1.95 -2.73 116.42 114.00 2fl1 h ASP 59 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2fl1 h ASP 59 Cb 0.33 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2fl1 h ASP 59 CO 0.00 0.16 0.00 0.16 -1.72 0.00 0.00 179.24 177.84 2fl1 h ILE 60 N 0.02 0.00 0.00 0.35 3.07 -1.94 -2.90 117.51 116.11 2fl1 h ILE 60 Ca 0.00 -0.35 -0.11 0.00 1.55 0.00 0.00 64.86 65.95 2fl1 h ILE 60 Cb 0.26 1.28 -0.02 0.00 -0.27 0.00 0.00 36.82 38.07 2fl1 h ILE 60 CO 0.02 0.00 -1.33 0.18 -1.05 0.00 0.00 178.15 175.97 2fl1 n LEU 61 N -2.90 0.80 -0.33 0.16 4.77 -1.03 -4.58 117.00 113.89 2fl1 n LEU 61 Ca 0.00 0.34 0.16 0.00 -0.03 0.00 0.00 56.01 56.48 2fl1 n LEU 61 Cb 0.24 0.04 0.33 0.00 -2.33 0.00 0.00 43.42 41.69 2fl1 n LEU 61 CO 0.24 0.04 0.86 0.28 -1.33 0.00 0.00 177.39 177.47 2fl1 h SER 62 N 0.00 -0.30 0.00 -1.43 0.02 -1.55 -0.60 113.55 109.69 2fl1 h SER 62 Ca -0.11 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2fl1 h SER 62 Cb 1.38 0.42 0.00 0.00 0.14 0.00 0.00 62.40 64.35 2fl1 h SER 62 CO 0.03 -0.33 0.00 0.00 -1.14 0.00 0.00 176.83 175.38 2fl1 n ALA 63 N -2.95 2.44 0.22 3.77 0.00 -1.26 -3.10 120.51 119.63 2fl1 n ALA 63 Ca 0.25 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.80 2fl1 n ALA 63 Cb 0.81 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.21 2fl1 n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fl1 n ALA 64 N -0.49 2.90 -1.82 0.00 0.00 -0.23 -4.85 120.51 116.02 2fl1 n ALA 64 Ca 0.00 -0.38 -0.34 0.00 0.00 0.00 0.00 53.44 52.72 2fl1 n ALA 64 Cb 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 2fl1 n ALA 64 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2fl1 n PHE 65 N -2.32 2.20 0.00 0.00 3.01 -1.18 -4.94 117.46 114.24 2fl1 n PHE 65 Ca -0.01 -2.31 0.00 0.00 1.01 0.00 0.00 57.45 56.14 2fl1 n PHE 65 Cb 0.52 -1.47 0.00 0.00 -0.01 0.00 0.00 39.48 38.52 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 0.82 0.00 0.00 4.37 2.85 -1.26 -5.10 115.26 116.94 2fl1 n ASN 69 Ca 0.53 0.00 0.06 0.00 -0.11 0.00 0.00 54.58 55.07 2fl1 n ASN 69 Cb 0.39 0.00 0.36 0.00 1.24 0.00 0.00 39.78 41.77 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 0.31 0.20 1.20 5.12 -1.26 -1.91 116.66 120.32 2fl1 n ARG 70 Ca 0.00 0.07 0.04 0.00 -1.93 0.00 0.00 57.85 56.04 2fl1 n ARG 70 Cb 0.00 -1.50 0.46 0.00 -1.16 0.00 0.00 32.46 30.26 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 0.04 -6.07 0.55 3.38 -1.95 -3.07 115.31 108.19 2fl1 h LEU 71 Ca 0.00 -0.01 -0.74 0.00 0.09 0.00 0.00 57.88 57.22 2fl1 h LEU 71 Cb 0.05 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 40.68 2fl1 h LEU 71 CO 0.00 0.25 2.44 0.49 0.09 0.00 0.00 178.44 181.71 2fl1 n PHE 72 N -4.27 2.89 -3.75 1.13 3.01 -0.80 -4.66 117.46 111.00 2fl1 n PHE 72 Ca -0.02 -2.85 -0.19 0.00 1.01 0.00 0.00 57.45 55.40 2fl1 n PHE 72 Cb 0.28 -2.06 -0.17 0.00 -0.01 0.00 0.00 39.48 37.52 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 0.60 0.04 -0.40 4.37 2.01 -1.16 -4.25 115.64 116.84 2fl1 s THR 73 Ca 0.46 0.27 -0.28 0.00 0.31 0.00 0.00 61.69 62.46 2fl1 s THR 73 Cb 0.13 -0.23 0.02 0.00 0.01 0.00 0.00 72.50 72.43 2fl1 s THR 73 CO -0.04 0.17 1.05 -0.70 -0.69 0.00 0.00 174.62 174.42 2fl1 s GLU 74 N 1.73 3.84 -0.10 4.92 2.12 -0.28 -4.35 118.70 126.57 2fl1 s GLU 74 Ca -0.00 0.69 -0.05 0.00 0.36 0.00 0.00 54.97 55.96 2fl1 s GLU 74 Cb -0.13 -3.83 -0.04 0.00 0.26 0.00 0.00 34.13 30.39 2fl1 s GLU 74 CO -0.03 -1.13 0.11 0.71 -0.54 0.00 0.00 175.26 174.38 2fl1 s TYR 75 N 3.94 3.48 0.31 5.30 1.51 -1.26 -1.12 117.35 129.51 2fl1 s TYR 75 Ca 0.44 0.43 -0.16 0.00 -1.01 0.00 0.00 57.07 56.77 2fl1 s TYR 75 Cb -0.10 -1.89 -0.09 0.00 -0.11 0.00 0.00 41.96 39.77 2fl1 s TYR 75 CO 0.23 0.66 0.74 -1.25 -1.11 0.00 0.00 175.55 174.82 2fl1 s PRO 76 N -1.05 4.04 0.41 -1.71 0.04 -1.26 -4.94 135.00 130.53 2fl1 s PRO 76 Ca 0.15 0.70 0.22 0.00 0.04 0.00 0.00 61.00 62.11 2fl1 s PRO 76 Cb -0.12 -2.49 1.19 0.00 0.04 0.00 0.00 34.50 33.12 2fl1 s PRO 76 CO 0.04 0.18 1.63 0.93 0.04 0.00 0.00 177.00 179.83 2fl1 h GLU 77 N 2.40 0.00 -0.00 4.56 5.08 -1.99 -1.34 114.58 123.28 2fl1 h GLU 77 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2fl1 h GLU 77 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2fl1 h GLU 77 CO 0.65 0.00 -0.04 0.41 -1.00 0.00 0.00 179.01 179.03 2fl1 n GLY 78 N -1.26 -1.21 3.10 -3.84 0.00 -1.26 -4.72 105.19 96.01 2fl1 n GLY 78 Ca -0.01 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.59 1.51 0.19 -0.61 1.01 -0.51 -5.02 121.20 115.18 2fl1 s ILE 79 Ca 0.27 -0.70 -0.32 0.00 0.00 0.00 0.00 60.65 59.90 2fl1 s ILE 79 Cb 0.20 -1.34 -0.11 0.00 0.01 0.00 0.00 42.46 41.22 2fl1 s ILE 79 CO 0.48 0.44 1.65 -0.69 0.00 0.00 0.00 174.94 176.82 2fl1 s VAL 80 N 0.55 2.28 -0.92 2.92 1.01 -1.26 -4.65 120.40 120.33 2fl1 s VAL 80 Ca -0.16 0.20 -0.17 0.00 0.00 0.00 0.00 61.98 61.86 2fl1 s VAL 80 Cb -0.17 -3.13 0.17 0.00 0.00 0.00 0.00 36.38 33.25 2fl1 s VAL 80 CO 0.06 0.02 1.03 -0.62 0.00 0.00 0.00 175.10 175.59 2fl1 s ASP 81 N 1.13 6.73 0.34 3.32 -1.08 -1.26 -4.65 116.67 121.19 2fl1 s ASP 81 Ca 0.72 -2.37 0.04 0.00 -0.52 0.00 0.00 52.55 50.42 2fl1 s ASP 81 Cb -0.47 -2.33 0.66 0.00 -1.46 0.00 0.00 42.92 39.32 2fl1 s ASP 81 CO 0.32 -0.86 1.94 0.22 0.52 0.00 0.00 175.17 177.32 2fl1 h TYR 82 N 8.31 0.87 0.04 -5.34 3.20 -1.91 -1.49 116.97 120.65 2fl1 h TYR 82 Ca 0.15 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 2fl1 h TYR 82 Cb 1.01 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.00 2fl1 h TYR 82 CO 1.11 0.46 -0.02 0.74 -1.64 0.00 0.00 178.16 178.81 2fl1 h PHE 83 N 0.86 -0.05 0.00 -3.82 -1.00 -1.90 -2.90 116.94 108.13 2fl1 h PHE 83 Ca 0.34 -0.00 -0.06 0.00 2.81 0.00 0.00 57.97 61.06 2fl1 h PHE 83 Cb 0.22 0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 2fl1 h PHE 83 CO -0.00 0.49 -0.28 0.87 -1.61 0.00 0.00 178.31 177.78 2fl1 h LYS 84 N -0.63 0.00 0.00 1.51 1.57 -1.87 -2.13 116.57 115.01 2fl1 h LYS 84 Ca -0.01 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2fl1 h LYS 84 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2fl1 h LYS 84 CO 0.01 0.28 -0.22 -0.91 -0.57 0.00 0.00 179.45 178.04 2fl1 h ASN 85 N 0.00 0.00 0.44 0.86 2.35 -1.27 -2.52 115.58 115.44 2fl1 h ASN 85 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2fl1 h ASN 85 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 2fl1 h ASN 85 CO 0.04 0.22 -0.09 -1.54 -1.65 0.00 0.00 177.43 174.40 2fl1 n SER 86 N -3.62 0.33 -4.88 5.81 3.41 -0.80 -4.87 113.62 109.01 2fl1 n SER 86 Ca -0.01 -0.42 -0.30 0.00 -0.26 0.00 0.00 58.87 57.88 2fl1 n SER 86 Cb 0.35 -0.13 -0.00 0.00 -0.26 0.00 0.00 64.21 64.17 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 -2.32 0.15 -0.14 0.00 -0.04 -1.18 -4.80 135.00 126.66 2fl1 n PRO 88 Ca 0.04 0.13 -0.04 0.00 -0.04 0.00 0.00 63.50 63.59 2fl1 n PRO 88 Cb 0.54 -1.68 0.02 0.00 -0.04 0.00 0.00 33.50 32.34 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 2.71 0.16 0.00 0.55 0.00 -1.83 -1.36 119.26 119.49 2fl1 h ALA 89 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2fl1 h ALA 89 Cb 0.64 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2fl1 h ALA 89 CO 0.00 -0.54 0.00 0.41 0.00 0.00 0.00 179.25 179.12 2fl1 n GLY 90 N -1.39 -0.85 3.52 0.00 0.00 0.10 -4.14 105.19 102.43 2fl1 n GLY 90 Ca 0.04 -2.14 -0.09 0.00 0.00 0.00 0.00 46.02 43.82 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 0.23 0.16 1.61 -0.85 -0.88 -1.97 117.35 115.64 2fl1 s TYR 91 Ca 0.00 -0.59 0.08 0.00 -0.52 0.00 0.00 57.07 56.04 2fl1 s TYR 91 Cb 0.00 0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.50 2fl1 s TYR 91 CO 0.00 -0.92 -0.17 0.95 -1.52 0.00 0.00 175.55 173.89 2fl1 s THR 92 N -3.96 1.69 0.07 -3.49 -4.23 -0.33 -0.66 115.64 104.73 2fl1 s THR 92 Ca 0.17 -1.89 -0.09 0.00 -1.18 0.00 0.00 61.69 58.70 2fl1 s THR 92 Cb -0.00 -1.78 0.00 0.00 1.34 0.00 0.00 72.50 72.06 2fl1 s THR 92 CO 0.04 -0.36 0.20 -1.66 -0.54 0.00 0.00 174.62 172.29 2fl1 s TRP 93 N -2.14 0.11 -0.01 3.99 1.48 -0.89 -0.99 118.94 120.48 2fl1 s TRP 93 Ca 0.14 -0.45 0.01 0.00 -1.06 0.00 0.00 56.10 54.74 2fl1 s TRP 93 Cb -0.05 -0.04 0.01 0.00 -1.16 0.00 0.00 33.47 32.23 2fl1 s TRP 93 CO 0.06 -0.50 -0.01 -1.01 -4.06 0.00 0.00 176.95 171.42 2fl1 s HIS 94 N -3.37 0.26 0.01 1.66 3.76 -0.67 -2.12 115.29 114.83 2fl1 s HIS 94 Ca 0.01 -0.02 -0.08 0.00 -0.15 0.00 0.00 55.06 54.82 2fl1 s HIS 94 Cb 0.03 -0.27 0.00 0.00 1.11 0.00 0.00 32.58 33.45 2fl1 s HIS 94 CO -0.08 -0.06 0.15 0.50 -0.85 0.00 0.00 174.74 174.39 2fl1 s ARG 95 N 0.44 0.53 -0.02 1.40 3.52 0.06 -1.03 118.95 123.85 2fl1 s ARG 95 Ca -0.04 -0.45 0.07 0.00 -0.13 0.00 0.00 55.73 55.19 2fl1 s ARG 95 Cb -0.07 0.22 -0.02 0.00 -1.56 0.00 0.00 34.95 33.52 2fl1 s ARG 95 CO -0.01 -0.13 -0.24 -1.54 -0.81 0.00 0.00 175.30 172.57 2fl1 s SER 96 N -1.52 2.87 -0.21 -2.12 1.04 -0.88 -1.08 113.70 111.79 2fl1 s SER 96 Ca -0.13 -0.44 -0.02 0.00 0.48 0.00 0.00 55.95 55.84 2fl1 s SER 96 Cb -0.06 -0.34 0.01 0.00 0.10 0.00 0.00 66.02 65.72 2fl1 s SER 96 CO 0.01 0.30 -0.10 -0.36 0.98 0.00 0.00 173.24 174.06 2fl1 s PHE 97 N -0.55 2.92 -0.39 5.02 0.40 0.29 -2.77 117.98 122.90 2fl1 s PHE 97 Ca 0.09 -1.30 -0.02 0.00 -0.60 0.00 0.00 56.93 55.09 2fl1 s PHE 97 Cb -0.10 -2.03 0.10 0.00 0.51 0.00 0.00 43.02 41.50 2fl1 s PHE 97 CO -0.01 -0.67 0.17 1.03 0.70 0.00 0.00 175.22 176.44 2fl1 s ARG 98 N 1.38 1.98 0.57 0.44 0.52 -1.11 -0.68 118.95 122.06 2fl1 s ARG 98 Ca 0.04 -1.78 -0.15 0.00 -0.52 0.00 0.00 55.73 53.33 2fl1 s ARG 98 Cb -0.14 -3.51 -0.05 0.00 0.52 0.00 0.00 34.95 31.77 2fl1 s ARG 98 CO -0.07 -1.02 1.02 -0.06 0.02 0.00 0.00 175.30 175.19 2fl1 s PHE 99 N 1.12 3.36 0.09 -0.53 0.40 0.26 -2.21 117.98 120.48 2fl1 s PHE 99 Ca 0.07 1.43 0.33 0.00 -0.60 0.00 0.00 56.93 58.16 2fl1 s PHE 99 Cb -0.22 -2.83 1.56 0.00 0.51 0.00 0.00 43.02 42.04 2fl1 s PHE 99 CO -0.04 -0.68 1.98 1.05 0.70 0.00 0.00 175.22 178.23 2fl1 h GLU 100 N 0.38 0.00 -0.65 0.44 4.11 -1.60 -2.63 114.58 114.63 2fl1 h GLU 100 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2fl1 h GLU 100 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2fl1 h GLU 100 CO 0.60 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.28 2fl1 n ASP 101 N -2.76 4.50 0.00 3.06 3.85 -1.26 -4.92 116.55 119.02 2fl1 n ASP 101 Ca -0.00 -2.42 0.00 0.00 -0.71 0.00 0.00 54.79 51.65 2fl1 n ASP 101 Cb 0.17 -0.56 0.00 0.00 -1.35 0.00 0.00 41.12 39.38 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 1.09 3.07 3.77 6.12 0.00 -0.99 -4.81 105.19 113.43 2fl1 n GLY 102 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 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 3.37 -0.01 4.61 0.00 -1.24 -4.83 121.76 120.81 2fl1 s ALA 103 Ca 0.00 1.24 0.01 0.00 0.00 0.00 0.00 51.96 53.20 2fl1 s ALA 103 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2fl1 s ALA 103 CO 0.00 -0.73 -0.02 0.14 0.00 0.00 0.00 175.76 175.15 2fl1 s VAL 104 N -1.21 0.22 0.13 0.00 -7.23 -0.78 -0.58 120.40 110.96 2fl1 s VAL 104 Ca 0.53 -0.08 0.06 0.00 -1.81 0.00 0.00 61.98 60.68 2fl1 s VAL 104 Cb -0.39 -0.22 -0.04 0.00 0.56 0.00 0.00 36.38 36.30 2fl1 s VAL 104 CO 0.50 0.08 -0.14 0.00 -0.31 0.00 0.00 175.10 175.24 2fl1 s ILE 106 N -2.27 0.07 0.03 0.00 -4.36 0.11 0.10 121.20 114.89 2fl1 s ILE 106 Ca 0.11 -0.13 -0.07 0.00 -0.26 0.00 0.00 60.65 60.31 2fl1 s ILE 106 Cb -0.04 -0.09 -0.01 0.00 1.25 0.00 0.00 42.46 43.58 2fl1 s ILE 106 CO 0.03 -0.03 0.12 0.00 0.24 0.00 0.00 174.94 175.30 2fl1 s SER 108 N -1.99 0.35 0.09 0.00 0.01 -0.93 -0.76 113.70 110.47 2fl1 s SER 108 Ca -0.07 -0.77 -0.12 0.00 1.31 0.00 0.00 55.95 56.30 2fl1 s SER 108 Cb -0.02 0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.41 2fl1 s SER 108 CO -0.03 -0.51 0.29 0.00 0.41 0.00 0.00 173.24 173.39 2fl1 s ALA 109 N -3.03 -0.57 -0.12 1.44 0.00 -0.90 -1.76 121.76 116.81 2fl1 s ALA 109 Ca -0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 51.96 51.67 2fl1 s ALA 109 Cb 0.01 0.50 0.03 0.00 0.00 0.00 0.00 23.12 23.67 2fl1 s ALA 109 CO -0.07 -0.52 -0.07 0.34 0.00 0.00 0.00 175.76 175.44 2fl1 s ASP 110 N -2.62 2.31 -0.13 0.00 -1.08 0.41 -2.09 116.67 113.47 2fl1 s ASP 110 Ca 0.02 -0.37 -0.04 0.00 -0.52 0.00 0.00 52.55 51.63 2fl1 s ASP 110 Cb 0.02 -0.86 -0.03 0.00 -1.46 0.00 0.00 42.92 40.59 2fl1 s ASP 110 CO -0.09 -0.13 0.02 -0.63 0.52 0.00 0.00 175.17 174.85 2fl1 s ILE 111 N 1.69 4.41 -0.01 4.11 1.09 0.17 -2.02 121.20 130.65 2fl1 s ILE 111 Ca 0.04 -0.19 -0.01 0.00 -1.10 0.00 0.00 60.65 59.39 2fl1 s ILE 111 Cb -0.13 -2.91 -0.00 0.00 -1.06 0.00 0.00 42.46 38.36 2fl1 s ILE 111 CO -0.08 0.54 0.02 -0.89 -0.10 0.00 0.00 174.94 174.43 2fl1 s THR 112 N -0.27 0.02 -0.21 2.92 2.01 -0.47 -2.08 115.64 117.56 2fl1 s THR 112 Ca 0.06 -0.13 -0.08 0.00 0.31 0.00 0.00 61.69 61.86 2fl1 s THR 112 Cb -0.12 -0.08 -0.04 0.00 0.01 0.00 0.00 72.50 72.27 2fl1 s THR 112 CO 0.02 -0.07 0.08 -0.69 -0.69 0.00 0.00 174.62 173.27 2fl1 s VAL 113 N -0.20 4.81 -0.71 3.82 1.01 -0.51 0.36 120.40 128.98 2fl1 s VAL 113 Ca -0.02 -0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.79 2fl1 s VAL 113 Cb -0.02 -3.20 0.18 0.00 0.00 0.00 0.00 36.38 33.35 2fl1 s VAL 113 CO -0.00 0.41 0.66 0.21 0.00 0.00 0.00 175.10 176.38 2fl1 s ASN 114 N 0.74 6.53 0.14 3.32 3.04 0.52 -4.76 114.94 124.47 2fl1 s ASN 114 Ca 0.04 -2.33 -0.24 0.00 0.04 0.00 0.00 52.86 50.37 2fl1 s ASN 114 Cb -0.13 -2.21 -0.01 0.00 -1.54 0.00 0.00 41.25 37.36 2fl1 s ASN 114 CO 0.02 -0.69 1.63 0.58 -3.04 0.00 0.00 177.10 175.60 2fl1 h VAL 115 N 5.23 0.38 -0.98 -5.21 2.07 -1.84 -0.37 116.25 115.51 2fl1 h VAL 115 Ca -0.06 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.64 2fl1 h VAL 115 Cb 1.06 0.38 -0.10 0.00 -1.52 0.00 0.00 31.29 31.11 2fl1 h VAL 115 CO 0.87 0.00 0.59 -0.09 0.02 0.00 0.00 177.57 178.96 2fl1 h ARG 116 N -0.32 0.75 -0.01 1.57 2.43 -1.93 0.08 114.38 116.94 2fl1 h ARG 116 Ca 0.11 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2fl1 h ARG 116 Cb 0.48 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2fl1 h ARG 116 CO -0.33 0.49 -0.18 0.39 -1.51 0.00 0.00 179.97 178.83 2fl1 n GLU 117 N -4.77 0.97 -3.62 0.20 1.02 -0.93 -4.92 120.64 108.59 2fl1 n GLU 117 Ca 0.22 -0.53 -0.27 0.00 -0.02 0.00 0.00 57.16 56.56 2fl1 n GLU 117 Cb 0.53 -1.49 0.01 0.00 -0.02 0.00 0.00 31.44 30.47 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 -0.55 -4.45 -4.04 1.62 5.15 0.01 -4.87 115.26 108.13 2fl1 n ASN 118 Ca 0.14 -0.59 -0.21 0.00 -0.60 0.00 0.00 54.58 53.32 2fl1 n ASN 118 Cb 0.34 -3.61 -0.15 0.00 -0.53 0.00 0.00 39.78 35.83 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 -0.01 5.35 -0.23 0.00 1.01 -0.38 -0.36 121.20 126.58 2fl1 s ILE 120 Ca -0.00 0.34 -0.14 0.00 0.00 0.00 0.00 60.65 60.85 2fl1 s ILE 120 Cb -0.07 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 2fl1 s ILE 120 CO 0.00 0.39 0.31 -0.31 0.00 0.00 0.00 174.94 175.33 2fl1 s TYR 121 N 0.64 3.32 -0.19 3.97 1.51 0.16 -0.75 117.35 126.00 2fl1 s TYR 121 Ca 0.11 0.43 -0.00 0.00 -1.01 0.00 0.00 57.07 56.60 2fl1 s TYR 121 Cb -0.12 -2.45 0.01 0.00 -0.11 0.00 0.00 41.96 39.29 2fl1 s TYR 121 CO 0.02 -0.04 -0.16 -1.58 -1.11 0.00 0.00 175.55 172.69 2fl1 s HIS 122 N 1.40 2.82 -0.10 2.71 2.46 0.51 -1.37 115.29 123.72 2fl1 s HIS 122 Ca 0.14 -1.42 0.04 0.00 0.47 0.00 0.00 55.06 54.29 2fl1 s HIS 122 Cb -0.15 -1.96 0.00 0.00 -0.13 0.00 0.00 32.58 30.34 2fl1 s HIS 122 CO 0.07 -0.71 -0.22 -1.21 -2.47 0.00 0.00 174.74 170.20 2fl1 s GLU 123 N 1.30 2.84 0.13 2.88 0.41 -0.86 -1.95 118.70 123.44 2fl1 s GLU 123 Ca 0.04 -0.80 -0.08 0.00 -0.41 0.00 0.00 54.97 53.72 2fl1 s GLU 123 Cb -0.14 -2.18 -0.01 0.00 -1.78 0.00 0.00 34.13 30.02 2fl1 s GLU 123 CO -0.09 0.13 0.21 -1.54 -0.49 0.00 0.00 175.26 173.48 2fl1 s SER 124 N 0.46 0.12 0.03 -0.19 1.04 -0.65 -0.45 113.70 114.06 2fl1 s SER 124 Ca -0.17 -0.85 0.04 0.00 0.48 0.00 0.00 55.95 55.45 2fl1 s SER 124 Cb -0.17 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 2fl1 s SER 124 CO 0.07 -0.81 -0.11 0.42 0.98 0.00 0.00 173.24 173.79 2fl1 s THR 125 N -3.94 0.84 -0.05 2.02 -4.23 -0.72 -1.47 115.64 108.09 2fl1 s THR 125 Ca 0.14 -0.84 -0.02 0.00 -1.18 0.00 0.00 61.69 59.79 2fl1 s THR 125 Cb 0.04 -0.78 0.04 0.00 1.34 0.00 0.00 72.50 73.14 2fl1 s THR 125 CO -0.04 -0.04 0.10 0.12 -0.54 0.00 0.00 174.62 174.22 2fl1 s PHE 126 N -0.79 -0.05 -0.03 3.99 5.36 -0.54 -2.19 117.98 123.73 2fl1 s PHE 126 Ca -0.01 0.38 0.03 0.00 -0.96 0.00 0.00 56.93 56.37 2fl1 s PHE 126 Cb -0.07 -0.31 0.00 0.00 -0.34 0.00 0.00 43.02 42.30 2fl1 s PHE 126 CO 0.01 -0.19 -0.12 0.71 -1.46 0.00 0.00 175.22 174.16 2fl1 s TYR 127 N 1.87 1.25 0.14 10.12 1.51 -0.02 -1.10 117.35 131.12 2fl1 s TYR 127 Ca -0.00 -0.34 0.03 0.00 -1.01 0.00 0.00 57.07 55.75 2fl1 s TYR 127 Cb -0.12 -0.87 -0.04 0.00 -0.11 0.00 0.00 41.96 40.81 2fl1 s TYR 127 CO -0.04 -0.14 -0.08 0.20 -1.11 0.00 0.00 175.55 174.38 2fl1 s GLY 128 N 0.18 1.00 -0.12 0.71 0.00 -0.81 0.07 107.32 108.35 2fl1 s GLY 128 Ca -0.04 -1.46 -0.20 0.00 0.00 0.00 0.00 44.72 43.01 2fl1 s GLY 128 CO 0.01 -1.55 0.50 0.54 0.00 0.00 0.00 173.10 172.60 2fl1 s VAL 129 N -3.45 0.01 -0.97 1.40 0.11 -0.05 -2.08 120.40 115.38 2fl1 s VAL 129 Ca 0.16 -0.12 -0.05 0.00 -2.93 0.00 0.00 61.98 59.04 2fl1 s VAL 129 Cb 0.04 -0.75 0.01 0.00 -1.53 0.00 0.00 36.38 34.14 2fl1 s VAL 129 CO -0.01 -0.07 0.84 0.59 -3.33 0.00 0.00 175.10 173.12 2fl1 n ASN 130 N 2.00 -4.29 -4.66 3.54 3.02 -1.26 -1.87 115.26 111.74 2fl1 n ASN 130 Ca -0.17 -0.42 -0.43 0.00 -0.03 0.00 0.00 54.58 53.54 2fl1 n ASN 130 Cb 0.56 -3.87 -0.03 0.00 -0.61 0.00 0.00 39.78 35.84 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 -3.24 3.34 0.43 3.10 0.40 -1.26 -3.69 117.98 117.05 2fl1 s PHE 131 Ca 0.30 1.39 -0.25 0.00 -0.60 0.00 0.00 56.93 57.77 2fl1 s PHE 131 Cb -0.13 -3.21 -0.10 0.00 0.51 0.00 0.00 43.02 40.09 2fl1 s PHE 131 CO 0.54 -0.45 1.26 -2.30 0.70 0.00 0.00 175.22 174.97 2fl1 n PRO 132 N 6.20 1.88 -0.08 0.24 -0.02 -1.26 -4.87 135.00 137.08 2fl1 n PRO 132 Ca 0.10 0.67 0.12 0.00 -2.02 0.00 0.00 63.50 62.37 2fl1 n PRO 132 Cb 0.46 -2.38 0.50 0.00 -0.02 0.00 0.00 33.50 32.07 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 2.01 2.00 -0.57 3.55 0.00 -1.98 -1.38 119.26 122.90 2fl1 h ALA 133 Ca -0.48 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.25 2fl1 h ALA 133 Cb 1.30 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 2fl1 h ALA 133 CO 0.60 -0.13 0.16 -0.40 0.00 0.00 0.00 179.25 179.47 2fl1 n ASP 134 N -4.47 4.22 -4.94 0.00 3.85 -1.26 -4.51 116.55 109.44 2fl1 n ASP 134 Ca 0.10 -3.28 -0.25 0.00 -0.71 0.00 0.00 54.79 50.65 2fl1 n ASP 134 Cb 0.36 -0.68 0.06 0.00 -1.35 0.00 0.00 41.12 39.51 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 -1.50 1.71 0.48 6.12 0.00 -0.52 -4.90 107.32 108.71 2fl1 s GLY 135 Ca 0.51 -1.00 0.15 0.00 0.00 0.00 0.00 44.72 44.37 2fl1 s GLY 135 CO 0.10 -0.63 2.07 -0.56 0.00 0.00 0.00 173.10 174.07 2fl1 h PRO 136 N -0.41 0.03 -0.10 2.90 0.13 -1.94 -1.68 132.00 130.93 2fl1 h PRO 136 Ca -0.44 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 2fl1 h PRO 136 Cb 1.31 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 2fl1 h PRO 136 CO 0.58 0.11 -0.06 0.28 -0.23 0.00 0.00 178.00 178.68 2fl1 h VAL 137 N 0.03 1.33 0.00 1.56 2.07 -1.93 0.12 116.25 119.43 2fl1 h VAL 137 Ca 0.01 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.40 2fl1 h VAL 137 Cb 0.16 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2fl1 h VAL 137 CO 0.01 0.32 0.00 0.24 0.02 0.00 0.00 177.57 178.16 2fl1 h MET 138 N -0.16 0.00 -0.22 1.57 2.86 -1.75 -1.56 114.93 115.67 2fl1 h MET 138 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2fl1 h MET 138 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2fl1 h MET 138 CO 0.02 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.62 2fl1 n LYS 139 N -2.44 2.22 -3.89 1.72 5.02 -0.64 -4.92 118.16 115.23 2fl1 n LYS 139 Ca 0.05 -1.82 -0.31 0.00 -2.02 0.00 0.00 58.31 54.20 2fl1 n LYS 139 Cb 0.43 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 33.97 2fl1 n LYS 139 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2fl1 n LYS 140 N 1.09 -1.88 -0.00 1.97 5.02 -0.73 -4.89 118.16 118.74 2fl1 n LYS 140 Ca 0.17 0.35 0.10 0.00 -2.02 0.00 0.00 58.31 56.92 2fl1 n LYS 140 Cb 0.52 -4.00 -0.13 0.00 -0.02 0.00 0.00 35.03 31.40 2fl1 n LYS 140 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2fl1 n MET 141 N -4.44 0.18 -2.13 1.97 2.81 -0.05 -4.98 117.12 110.47 2fl1 n MET 141 Ca -0.20 -0.05 -0.35 0.00 -1.81 0.00 0.00 57.70 55.30 2fl1 n MET 141 Cb 0.63 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.65 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 -3.13 3.20 0.00 2.03 -4.23 -1.25 -0.30 115.64 111.95 2fl1 s THR 142 Ca 0.04 0.69 0.00 0.00 -1.18 0.00 0.00 61.69 61.24 2fl1 s THR 142 Cb 0.15 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.75 2fl1 s THR 142 CO 0.88 -0.21 0.00 1.07 -0.54 0.00 0.00 174.62 175.82 2fl1 n THR 143 N -1.59 0.00 -3.57 3.99 5.66 0.77 -4.79 114.28 114.76 2fl1 n THR 143 Ca 0.11 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.03 2fl1 n THR 143 Cb 0.51 -0.70 -0.04 0.00 -1.55 0.00 0.00 70.33 68.56 2fl1 n THR 143 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2fl1 s ASN 144 N -4.19 -0.28 0.50 1.09 0.01 -1.25 -4.74 114.94 106.07 2fl1 s ASN 144 Ca 0.00 0.18 -0.19 0.00 -0.71 0.00 0.00 52.86 52.14 2fl1 s ASN 144 Cb 0.00 0.26 -0.08 0.00 0.41 0.00 0.00 41.25 41.84 2fl1 s ASN 144 CO 0.00 -0.36 1.01 0.26 -1.51 0.00 0.00 177.10 176.50 2fl1 s TRP 145 N -1.87 3.18 0.19 2.20 0.52 -1.26 -0.27 118.94 121.63 2fl1 s TRP 145 Ca 0.03 1.55 -0.14 0.00 0.02 0.00 0.00 56.10 57.56 2fl1 s TRP 145 Cb -0.01 -2.93 -0.07 0.00 -1.15 0.00 0.00 33.47 29.31 2fl1 s TRP 145 CO -0.03 -0.59 0.59 -2.00 0.02 0.00 0.00 176.95 174.93 2fl1 s GLU 146 N -3.58 3.97 0.26 4.98 2.12 0.71 -4.72 118.70 122.43 2fl1 s GLU 146 Ca 0.63 0.49 -0.30 0.00 0.36 0.00 0.00 54.97 56.16 2fl1 s GLU 146 Cb -0.13 -2.81 -0.14 0.00 0.26 0.00 0.00 34.13 31.31 2fl1 s GLU 146 CO 0.24 0.40 1.16 -2.30 -0.54 0.00 0.00 175.26 174.22 2fl1 n PRO 147 N 0.45 1.55 -4.53 4.30 -0.02 -1.26 -4.72 135.00 130.77 2fl1 n PRO 147 Ca -0.03 0.55 -0.26 0.00 -2.02 0.00 0.00 63.50 61.74 2fl1 n PRO 147 Cb 0.52 -2.03 -0.08 0.00 -0.02 0.00 0.00 33.50 31.89 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 -0.23 2.87 -0.29 2.55 1.04 -0.90 -4.97 113.70 113.76 2fl1 s SER 148 Ca 0.63 -1.69 -0.04 0.00 0.48 0.00 0.00 55.95 55.33 2fl1 s SER 148 Cb -0.71 0.54 0.10 0.00 0.10 0.00 0.00 66.02 66.05 2fl1 s SER 148 CO 0.56 -0.95 0.13 0.00 0.98 0.00 0.00 173.24 173.96 2fl1 s GLU 150 N 2.05 4.26 -0.16 0.00 2.12 0.66 -4.80 118.70 122.83 2fl1 s GLU 150 Ca 0.09 0.77 -0.14 0.00 0.36 0.00 0.00 54.97 56.05 2fl1 s GLU 150 Cb -0.16 -3.27 -0.05 0.00 0.26 0.00 0.00 34.13 30.91 2fl1 s GLU 150 CO -0.35 0.55 0.30 0.21 -0.54 0.00 0.00 175.26 175.43 2fl1 s LYS 151 N -0.84 4.26 -0.22 4.30 2.20 -0.41 -0.23 119.74 128.80 2fl1 s LYS 151 Ca 0.30 0.10 -0.07 0.00 -0.36 0.00 0.00 55.97 55.94 2fl1 s LYS 151 Cb -0.19 -3.43 -0.03 0.00 -1.51 0.00 0.00 37.83 32.66 2fl1 s LYS 151 CO 0.19 0.22 0.05 0.42 -0.36 0.00 0.00 175.35 175.87 2fl1 s ILE 152 N 0.52 4.36 -0.09 5.43 -1.09 0.17 -1.63 121.20 128.86 2fl1 s ILE 152 Ca 0.17 -0.17 0.03 0.00 -2.23 0.00 0.00 60.65 58.44 2fl1 s ILE 152 Cb -0.13 -3.00 -0.01 0.00 -1.58 0.00 0.00 42.46 37.73 2fl1 s ILE 152 CO 0.04 0.39 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.34 2fl1 s ILE 153 N 1.16 2.72 0.14 2.92 1.01 0.59 -1.39 121.20 128.35 2fl1 s ILE 153 Ca 0.04 -0.81 -0.20 0.00 0.00 0.00 0.00 60.65 59.69 2fl1 s ILE 153 Cb -0.14 -2.08 -0.07 0.00 0.01 0.00 0.00 42.46 40.17 2fl1 s ILE 153 CO 0.03 0.55 0.64 -2.16 0.00 0.00 0.00 174.94 174.00 2fl1 s PRO 154 N -0.01 4.25 -0.59 2.79 0.04 -1.26 -0.46 135.00 139.76 2fl1 s PRO 154 Ca -0.05 0.81 0.04 0.00 0.04 0.00 0.00 61.00 61.84 2fl1 s PRO 154 Cb -0.15 -3.11 0.15 0.00 0.04 0.00 0.00 34.50 31.43 2fl1 s PRO 154 CO 0.05 0.55 0.35 0.42 0.04 0.00 0.00 177.00 178.40 2fl1 s ILE 155 N -1.27 2.68 0.48 0.56 1.01 -0.55 -4.94 121.20 119.17 2fl1 s ILE 155 Ca 0.35 -3.68 0.15 0.00 0.00 0.00 0.00 60.65 57.47 2fl1 s ILE 155 Cb -0.19 -2.82 0.30 0.00 0.01 0.00 0.00 42.46 39.76 2fl1 s ILE 155 CO 0.21 -0.88 2.07 0.78 0.00 0.00 0.00 174.94 177.12 2fl1 h ASN 156 N 6.07 0.18 0.46 3.58 2.35 -1.95 -1.68 115.58 124.59 2fl1 h ASN 156 Ca 0.01 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2fl1 h ASN 156 Cb 0.84 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.17 2fl1 h ASN 156 CO 0.70 0.12 0.00 0.77 -1.65 0.00 0.00 177.43 177.37 2fl1 h SER 157 N 0.21 0.00 0.00 5.81 4.64 -1.94 -2.55 113.55 119.72 2fl1 h SER 157 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2fl1 h SER 157 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2fl1 h SER 157 CO -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.94 2fl1 n GLN 158 N -2.78 0.49 -3.95 4.77 6.02 -1.03 -5.02 117.38 115.88 2fl1 n GLN 158 Ca -0.01 -0.71 -0.26 0.00 -0.01 0.00 0.00 57.00 56.01 2fl1 n GLN 158 Cb 0.17 -0.84 -0.02 0.00 1.02 0.00 0.00 30.24 30.56 2fl1 n GLN 158 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2fl1 n LYS 159 N -0.15 -2.97 -4.31 -1.09 5.02 -0.66 -4.98 118.16 109.03 2fl1 n LYS 159 Ca 0.00 0.39 -0.16 0.00 -2.02 0.00 0.00 58.31 56.52 2fl1 n LYS 159 Cb 0.19 -4.41 -0.10 0.00 -0.02 0.00 0.00 35.03 30.68 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 -3.93 0.55 0.19 -0.18 -4.36 -1.07 -4.66 121.20 107.73 2fl1 s ILE 160 Ca 0.05 -2.00 0.10 0.00 -0.26 0.00 0.00 60.65 58.54 2fl1 s ILE 160 Cb -0.02 -2.59 -0.04 0.00 1.25 0.00 0.00 42.46 41.06 2fl1 s ILE 160 CO 0.89 -0.04 -0.17 -0.76 0.24 0.00 0.00 174.94 175.10 2fl1 s LEU 161 N -3.30 2.69 -0.07 0.37 1.43 -0.10 -1.47 118.68 118.23 2fl1 s LEU 161 Ca 0.37 -0.75 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 2fl1 s LEU 161 Cb 0.08 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.91 2fl1 s LEU 161 CO 0.13 0.11 -0.18 -0.75 0.23 0.00 0.00 176.35 175.88 2fl1 s LYS 162 N -2.80 2.27 -0.01 1.70 2.20 0.39 -0.40 119.74 123.09 2fl1 s LYS 162 Ca 0.23 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 55.20 2fl1 s LYS 162 Cb -0.08 -1.81 -0.04 0.00 -1.51 0.00 0.00 37.83 34.40 2fl1 s LYS 162 CO 0.13 0.14 0.03 0.20 -0.36 0.00 0.00 175.35 175.48 2fl1 s GLY 163 N 0.39 1.92 -0.19 5.54 0.00 0.16 -0.30 107.32 114.83 2fl1 s GLY 163 Ca -0.14 -0.91 -0.04 0.00 0.00 0.00 0.00 44.72 43.63 2fl1 s GLY 163 CO 0.05 -0.76 0.17 -0.35 0.00 0.00 0.00 173.10 172.21 2fl1 s ASP 164 N -1.52 1.75 -0.15 1.64 3.68 -0.65 -2.11 116.67 119.30 2fl1 s ASP 164 Ca 0.20 -0.37 -0.08 0.00 2.13 0.00 0.00 52.55 54.43 2fl1 s ASP 164 Cb -0.12 0.14 0.06 0.00 -1.45 0.00 0.00 42.92 41.56 2fl1 s ASP 164 CO 0.10 -0.34 0.36 0.54 0.13 0.00 0.00 175.17 175.97 2fl1 s VAL 165 N 2.25 -0.14 -0.44 1.11 0.11 -0.93 -1.29 120.40 121.07 2fl1 s VAL 165 Ca 0.05 0.13 -0.24 0.00 -2.93 0.00 0.00 61.98 58.99 2fl1 s VAL 165 Cb -0.16 -0.55 0.02 0.00 -1.53 0.00 0.00 36.38 34.17 2fl1 s VAL 165 CO -0.11 0.05 0.83 -0.55 -3.33 0.00 0.00 175.10 171.99 2fl1 s SER 166 N 1.61 6.45 0.07 3.54 0.15 -1.26 -1.10 113.70 123.17 2fl1 s SER 166 Ca -0.08 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.58 2fl1 s SER 166 Cb -0.10 -2.41 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 2fl1 s SER 166 CO -0.11 -0.94 0.22 -0.04 1.20 0.00 0.00 173.24 173.56 2fl1 s MET 167 N 3.41 3.42 -0.07 5.44 -1.94 0.02 -4.90 119.30 124.69 2fl1 s MET 167 Ca 0.32 -0.47 0.00 0.00 -1.71 0.00 0.00 55.69 53.83 2fl1 s MET 167 Cb -0.12 -3.02 0.02 0.00 2.01 0.00 0.00 34.83 33.73 2fl1 s MET 167 CO 0.23 0.59 -0.06 0.71 -0.01 0.00 0.00 175.02 176.49 2fl1 s TYR 168 N -1.54 1.06 -0.24 -0.03 1.51 -1.26 -0.59 117.35 116.25 2fl1 s TYR 168 Ca 0.35 -0.40 -0.14 0.00 -1.01 0.00 0.00 57.07 55.86 2fl1 s TYR 168 Cb -0.13 -0.92 -0.04 0.00 -0.11 0.00 0.00 41.96 40.76 2fl1 s TYR 168 CO 0.28 -0.32 0.34 -1.17 -1.11 0.00 0.00 175.55 173.57 2fl1 s LEU 169 N 1.27 4.08 0.26 -1.29 2.96 -0.08 -0.21 118.68 125.67 2fl1 s LEU 169 Ca -0.05 0.31 -0.30 0.00 -0.22 0.00 0.00 54.13 53.88 2fl1 s LEU 169 Cb -0.14 -2.39 -0.09 0.00 0.50 0.00 0.00 46.19 44.08 2fl1 s LEU 169 CO -0.02 -0.10 1.03 -0.76 -1.32 0.00 0.00 176.35 175.17 2fl1 s LEU 170 N 1.66 4.59 0.03 -0.68 1.43 0.63 -0.71 118.68 125.63 2fl1 s LEU 170 Ca 0.15 2.12 0.01 0.00 -1.03 0.00 0.00 54.13 55.37 2fl1 s LEU 170 Cb -0.15 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 2fl1 s LEU 170 CO 0.09 -0.01 0.08 -0.76 0.23 0.00 0.00 176.35 175.98 2fl1 s LEU 171 N -1.28 3.87 0.59 1.79 1.43 0.90 -0.16 118.68 125.82 2fl1 s LEU 171 Ca 0.43 0.09 0.29 0.00 -1.03 0.00 0.00 54.13 53.91 2fl1 s LEU 171 Cb -0.29 -2.37 1.63 0.00 0.03 0.00 0.00 46.19 45.19 2fl1 s LEU 171 CO 0.37 0.23 2.07 0.11 0.23 0.00 0.00 176.35 179.36 2fl1 h LYS 172 N 3.79 0.00 -0.05 1.70 1.57 -0.95 0.96 116.57 123.59 2fl1 h LYS 172 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2fl1 h LYS 172 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2fl1 h LYS 172 CO 0.64 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.12 2fl1 n ASP 173 N -3.78 1.04 0.00 0.86 5.75 -1.26 -4.88 116.55 114.28 2fl1 n ASP 173 Ca 0.02 -1.43 0.00 0.00 -0.01 0.00 0.00 54.79 53.37 2fl1 n ASP 173 Cb 0.37 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 2fl1 n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2fl1 n GLY 174 N 1.08 0.73 1.44 6.12 0.00 0.33 -5.08 105.19 109.81 2fl1 n GLY 174 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 2fl1 n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fl1 n GLY 175 N -2.04 0.89 3.09 -0.02 0.00 -1.22 -4.85 105.19 101.04 2fl1 n GLY 175 Ca 0.00 -2.01 -0.08 0.00 0.00 0.00 0.00 46.02 43.94 2fl1 n GLY 175 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2fl1 s ARG 176 N -3.33 0.61 -0.17 1.61 1.70 -1.26 -0.07 118.95 118.04 2fl1 s ARG 176 Ca 0.24 -1.19 -0.03 0.00 -0.47 0.00 0.00 55.73 54.28 2fl1 s ARG 176 Cb -0.01 0.16 0.05 0.00 -0.57 0.00 0.00 34.95 34.58 2fl1 s ARG 176 CO 0.16 -0.10 0.03 -0.47 -1.08 0.00 0.00 175.30 173.85 2fl1 s TYR 177 N -3.73 0.90 0.37 5.89 5.04 0.11 -4.90 117.35 121.04 2fl1 s TYR 177 Ca 0.06 -0.70 -0.24 0.00 -2.44 0.00 0.00 57.07 53.74 2fl1 s TYR 177 Cb 0.07 -0.97 -0.10 0.00 0.35 0.00 0.00 41.96 41.31 2fl1 s TYR 177 CO -0.09 -0.56 0.97 0.50 -1.34 0.00 0.00 175.55 175.04 2fl1 s ARG 178 N 1.90 4.38 0.03 4.97 3.52 -1.26 -0.90 118.95 131.58 2fl1 s ARG 178 Ca 0.00 1.32 -0.05 0.00 -0.13 0.00 0.00 55.73 56.87 2fl1 s ARG 178 Cb -0.16 -2.57 -0.01 0.00 -1.56 0.00 0.00 34.95 30.65 2fl1 s ARG 178 CO -0.08 0.09 0.08 0.00 -0.81 0.00 0.00 175.30 174.58 2fl1 s GLN 180 N -2.31 2.43 -0.36 0.00 -0.44 -0.94 -0.79 119.66 117.25 2fl1 s GLN 180 Ca -0.08 -1.02 -0.19 0.00 -2.50 0.00 0.00 55.36 51.58 2fl1 s GLN 180 Cb -0.03 -2.63 0.00 0.00 -1.64 0.00 0.00 33.01 28.71 2fl1 s GLN 180 CO -0.03 -0.40 0.55 -0.06 0.50 0.00 0.00 175.29 175.84 2fl1 s PHE 181 N 1.25 3.16 -0.27 1.67 0.40 -0.26 -2.76 117.98 121.18 2fl1 s PHE 181 Ca -0.02 0.17 0.03 0.00 -0.60 0.00 0.00 56.93 56.52 2fl1 s PHE 181 Cb -0.16 -3.00 0.06 0.00 0.51 0.00 0.00 43.02 40.43 2fl1 s PHE 181 CO -0.09 -0.59 -0.09 -0.51 0.70 0.00 0.00 175.22 174.64 2fl1 s ASP 182 N 1.79 4.48 0.04 1.36 -0.00 -1.11 -2.20 116.67 121.02 2fl1 s ASP 182 Ca 0.20 -1.48 0.08 0.00 -0.00 0.00 0.00 52.55 51.36 2fl1 s ASP 182 Cb -0.15 -1.55 -0.03 0.00 -0.00 0.00 0.00 42.92 41.19 2fl1 s ASP 182 CO 0.14 -0.21 -0.24 -0.89 -0.00 0.00 0.00 175.17 173.97 2fl1 s THR 183 N 1.08 1.94 -0.15 -1.27 2.01 -0.90 -2.08 115.64 116.28 2fl1 s THR 183 Ca -0.07 -1.27 0.01 0.00 0.31 0.00 0.00 61.69 60.66 2fl1 s THR 183 Cb -0.20 -1.66 -0.00 0.00 0.01 0.00 0.00 72.50 70.65 2fl1 s THR 183 CO -0.05 0.33 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.42 2fl1 s ILE 184 N -0.77 2.58 -0.12 1.82 -1.09 -0.19 0.37 121.20 123.79 2fl1 s ILE 184 Ca 0.10 -0.80 -0.01 0.00 -2.23 0.00 0.00 60.65 57.71 2fl1 s ILE 184 Cb -0.09 -2.08 -0.02 0.00 -1.58 0.00 0.00 42.46 38.69 2fl1 s ILE 184 CO 0.02 0.52 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.85 2fl1 s TYR 185 N 0.77 2.90 -0.03 3.97 1.51 0.46 -1.67 117.35 125.27 2fl1 s TYR 185 Ca -0.06 -0.38 -0.01 0.00 -1.01 0.00 0.00 57.07 55.60 2fl1 s TYR 185 Cb -0.15 -1.85 0.03 0.00 -0.11 0.00 0.00 41.96 39.87 2fl1 s TYR 185 CO 0.00 -0.04 0.04 -1.59 -1.11 0.00 0.00 175.55 172.86 2fl1 s LYS 186 N 0.11 -0.02 0.59 -0.62 -2.85 -0.16 -0.92 119.74 115.86 2fl1 s LYS 186 Ca -0.04 0.29 -0.19 0.00 -1.00 0.00 0.00 55.97 55.03 2fl1 s LYS 186 Cb -0.14 -0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 35.16 2fl1 s LYS 186 CO 0.04 -0.26 1.24 0.00 0.10 0.00 0.00 175.35 176.47 2fl1 s ALA 187 N 1.71 2.58 0.08 0.59 0.00 -1.26 -1.19 121.76 124.27 2fl1 s ALA 187 Ca -0.01 1.09 -0.12 0.00 0.00 0.00 0.00 51.96 52.93 2fl1 s ALA 187 Cb -0.12 -3.48 -0.24 0.00 0.00 0.00 0.00 23.12 19.27 2fl1 s ALA 187 CO -0.03 -1.24 1.16 0.87 0.00 0.00 0.00 175.76 176.52 2fl1 h LYS 188 N 0.98 0.57 -5.88 0.00 1.57 -1.69 -3.44 116.57 108.68 2fl1 h LYS 188 Ca -0.51 -0.71 -0.67 0.00 -1.87 0.00 0.00 60.65 56.89 2fl1 h LYS 188 Cb 1.30 0.23 -0.14 0.00 0.08 0.00 0.00 32.23 33.70 2fl1 h LYS 188 CO 0.55 1.30 -0.61 0.95 -0.57 0.00 0.00 179.45 181.08 2fl1 s THR 189 N -3.07 4.45 -0.00 -0.16 -4.23 -1.26 -5.05 115.64 106.31 2fl1 s THR 189 Ca -0.08 -0.19 -0.36 0.00 -1.18 0.00 0.00 61.69 59.87 2fl1 s THR 189 Cb 0.07 -2.89 -0.15 0.00 1.34 0.00 0.00 72.50 70.87 2fl1 s THR 189 CO 0.91 0.60 1.57 1.21 -0.54 0.00 0.00 174.62 178.37 2fl1 n GLU 190 N 2.25 1.55 -2.64 3.99 2.13 -1.26 -4.91 120.64 121.75 2fl1 n GLU 190 Ca -0.19 0.56 -0.38 0.00 0.66 0.00 0.00 57.16 57.81 2fl1 n GLU 190 Cb 0.54 -2.28 -0.05 0.00 0.27 0.00 0.00 31.44 29.92 2fl1 n GLU 190 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2fl1 s PRO 191 N 1.79 4.56 -0.04 5.31 0.04 -1.26 -4.92 135.00 140.48 2fl1 s PRO 191 Ca 0.87 1.53 0.21 0.00 0.04 0.00 0.00 61.00 63.65 2fl1 s PRO 191 Cb -0.87 -2.94 0.66 0.00 0.04 0.00 0.00 34.50 31.39 2fl1 s PRO 191 CO 0.49 0.21 1.56 0.36 0.04 0.00 0.00 177.00 179.67 2fl1 n LYS 192 N 0.77 3.04 -3.64 4.56 2.85 -1.26 -4.89 118.16 119.59 2fl1 n LYS 192 Ca 0.01 -2.67 -0.09 0.00 -1.05 0.00 0.00 58.31 54.50 2fl1 n LYS 192 Cb 0.48 -1.68 -0.07 0.00 -0.65 0.00 0.00 35.03 33.11 2fl1 n LYS 192 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2fl1 s GLU 193 N -1.32 0.66 -0.02 -1.58 2.12 -1.26 -5.17 118.70 112.13 2fl1 s GLU 193 Ca 0.49 0.93 0.04 0.00 0.36 0.00 0.00 54.97 56.79 2fl1 s GLU 193 Cb 0.28 0.25 -0.03 0.00 0.26 0.00 0.00 34.13 34.88 2fl1 s GLU 193 CO 0.30 -0.10 -0.11 -1.64 -0.54 0.00 0.00 175.26 173.16 2fl1 s MET 194 N 0.86 2.48 0.60 4.30 -1.94 -1.26 -4.92 119.30 119.42 2fl1 s MET 194 Ca -0.04 -0.74 -0.09 0.00 -1.71 0.00 0.00 55.69 53.12 2fl1 s MET 194 Cb -0.05 -2.42 -0.01 0.00 2.01 0.00 0.00 34.83 34.36 2fl1 s MET 194 CO -0.09 0.61 0.96 -1.25 -0.01 0.00 0.00 175.02 175.24 2fl1 s PRO 195 N -1.11 3.23 0.82 2.03 0.04 -1.26 -4.88 135.00 133.87 2fl1 s PRO 195 Ca 0.14 0.37 -0.09 0.00 0.04 0.00 0.00 61.00 61.46 2fl1 s PRO 195 Cb -0.11 -2.18 0.15 0.00 0.04 0.00 0.00 34.50 32.40 2fl1 s PRO 195 CO 0.04 -0.64 1.15 -0.51 0.04 0.00 0.00 177.00 177.08 2fl1 s ASP 196 N -4.24 3.90 0.77 6.66 -0.00 -1.26 -4.62 116.67 117.87 2fl1 s ASP 196 Ca 0.54 0.09 -0.12 0.00 -0.00 0.00 0.00 52.55 53.05 2fl1 s ASP 196 Cb -0.11 -0.37 0.06 0.00 -0.00 0.00 0.00 42.92 42.50 2fl1 s ASP 196 CO 0.49 -2.20 1.13 -1.66 -0.00 0.00 0.00 175.17 172.94 2fl1 s TRP 197 N -3.50 2.25 0.25 4.23 1.48 -1.26 -4.73 118.94 117.66 2fl1 s TRP 197 Ca 0.68 1.62 -0.21 0.00 -1.06 0.00 0.00 56.10 57.13 2fl1 s TRP 197 Cb -0.06 -3.24 0.05 0.00 -1.16 0.00 0.00 33.47 29.07 2fl1 s TRP 197 CO 0.48 -2.19 0.87 -3.38 -4.06 0.00 0.00 176.95 168.67 2fl1 s HIS 198 N -2.51 -0.05 0.17 1.66 -3.43 -0.49 -4.96 115.29 105.68 2fl1 s HIS 198 Ca 0.67 -0.40 0.06 0.00 -0.80 0.00 0.00 55.06 54.58 2fl1 s HIS 198 Cb -0.22 0.72 -0.04 0.00 -1.43 0.00 0.00 32.58 31.61 2fl1 s HIS 198 CO 0.51 -1.14 0.10 -0.06 -2.00 0.00 0.00 174.74 172.15 2fl1 s PHE 199 N -3.04 3.07 -0.11 0.38 2.99 0.13 0.43 117.98 121.83 2fl1 s PHE 199 Ca 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 56.93 57.00 2fl1 s PHE 199 Cb -0.04 -1.47 0.04 0.00 0.00 0.00 0.00 43.02 41.55 2fl1 s PHE 199 CO 0.06 0.52 0.03 0.42 -0.00 0.00 0.00 175.22 176.25 2fl1 s ILE 200 N -1.76 0.30 0.01 0.64 1.01 0.68 -0.49 121.20 121.59 2fl1 s ILE 200 Ca 0.30 -0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.81 2fl1 s ILE 200 Cb -0.10 -0.61 -0.05 0.00 0.01 0.00 0.00 42.46 41.71 2fl1 s ILE 200 CO 0.22 0.08 0.35 -1.10 0.00 0.00 0.00 174.94 174.49 2fl1 s GLN 201 N 1.99 3.75 0.14 2.79 -0.21 -0.44 -0.24 119.66 127.43 2fl1 s GLN 201 Ca 0.03 0.19 0.05 0.00 0.02 0.00 0.00 55.36 55.65 2fl1 s GLN 201 Cb -0.14 -3.13 -0.04 0.00 1.00 0.00 0.00 33.01 30.70 2fl1 s GLN 201 CO -0.06 0.66 -0.11 -1.01 -2.12 0.00 0.00 175.29 172.65 2fl1 s HIS 202 N -1.20 1.31 -0.14 0.91 3.76 -0.56 -2.05 115.29 117.31 2fl1 s HIS 202 Ca 0.26 -0.70 -0.04 0.00 -0.15 0.00 0.00 55.06 54.43 2fl1 s HIS 202 Cb -0.15 -0.66 0.07 0.00 1.11 0.00 0.00 32.58 32.95 2fl1 s HIS 202 CO 0.14 0.11 0.21 0.21 -0.85 0.00 0.00 174.74 174.56 2fl1 s LYS 203 N -3.48 0.12 -0.12 1.40 2.20 -0.44 -2.13 119.74 117.30 2fl1 s LYS 203 Ca 0.15 0.44 0.01 0.00 -0.36 0.00 0.00 55.97 56.22 2fl1 s LYS 203 Cb 0.01 -0.64 0.02 0.00 -1.51 0.00 0.00 37.83 35.70 2fl1 s LYS 203 CO 0.01 -0.45 -0.15 -1.17 -0.36 0.00 0.00 175.35 173.23 2fl1 s LEU 204 N 2.33 1.72 0.01 5.43 2.96 -1.26 -1.23 118.68 128.64 2fl1 s LEU 204 Ca 0.04 -0.44 0.07 0.00 -0.22 0.00 0.00 54.13 53.58 2fl1 s LEU 204 Cb -0.14 -1.11 -0.02 0.00 0.50 0.00 0.00 46.19 45.42 2fl1 s LEU 204 CO -0.09 0.00 -0.21 0.20 -1.32 0.00 0.00 176.35 174.94 2fl1 s ASN 205 N 1.07 2.43 -0.05 3.68 0.01 -0.19 -4.30 114.94 117.59 2fl1 s ASN 205 Ca -0.05 -0.43 0.05 0.00 -0.71 0.00 0.00 52.86 51.72 2fl1 s ASN 205 Cb -0.15 -0.25 -0.02 0.00 0.41 0.00 0.00 41.25 41.25 2fl1 s ASN 205 CO -0.03 0.22 -0.18 -0.60 -1.51 0.00 0.00 177.10 175.00 2fl1 s ARG 206 N -0.73 2.48 -0.14 -0.60 3.52 -1.26 -0.92 118.95 121.29 2fl1 s ARG 206 Ca 0.08 -0.77 -0.02 0.00 -0.13 0.00 0.00 55.73 54.89 2fl1 s ARG 206 Cb -0.08 -2.30 0.04 0.00 -1.56 0.00 0.00 34.95 31.05 2fl1 s ARG 206 CO 0.00 0.56 -0.01 -2.00 -0.81 0.00 0.00 175.30 173.04 2fl1 s GLU 207 N -0.58 0.89 0.22 5.12 2.12 -0.27 -5.00 118.70 121.21 2fl1 s GLU 207 Ca 0.08 -0.25 -0.30 0.00 0.36 0.00 0.00 54.97 54.86 2fl1 s GLU 207 Cb -0.11 -1.65 -0.09 0.00 0.26 0.00 0.00 34.13 32.54 2fl1 s GLU 207 CO 0.01 -0.44 0.95 0.34 -0.54 0.00 0.00 175.26 175.57 2fl1 s ASP 208 N 1.83 7.61 -0.33 -1.70 -1.08 -1.26 -0.49 116.67 121.26 2fl1 s ASP 208 Ca 0.02 1.94 0.17 0.00 -0.52 0.00 0.00 52.55 54.16 2fl1 s ASP 208 Cb -0.15 -2.61 0.46 0.00 -1.46 0.00 0.00 42.92 39.17 2fl1 s ASP 208 CO -0.07 0.11 1.00 0.54 0.52 0.00 0.00 175.17 177.27 2fl1 n ARG 209 N 1.68 1.54 -3.05 4.34 1.74 0.48 -4.93 116.66 118.47 2fl1 n ARG 209 Ca -0.01 -3.45 -0.38 0.00 -0.77 0.00 0.00 57.85 53.24 2fl1 n ARG 209 Cb 0.47 -1.43 -0.06 0.00 -1.02 0.00 0.00 32.46 30.42 2fl1 n ARG 209 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2fl1 s SER 210 N -3.27 7.20 0.00 0.55 0.01 -0.97 -4.23 113.70 112.99 2fl1 s SER 210 Ca 0.30 1.51 0.00 0.00 1.31 0.00 0.00 55.95 59.07 2fl1 s SER 210 Cb 0.43 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 64.21 2fl1 s SER 210 CO 0.00 0.12 0.00 -0.90 0.41 0.00 0.00 173.24 172.87 2fl1 n ASP 211 N 1.15 1.56 0.22 2.44 5.68 -0.28 -4.92 116.55 122.40 2fl1 n ASP 211 Ca -0.04 -0.86 0.06 0.00 -0.50 0.00 0.00 54.79 53.44 2fl1 n ASP 211 Cb 0.50 0.00 0.51 0.00 -1.14 0.00 0.00 41.12 40.99 2fl1 n ASP 211 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2fl1 h ALA 212 N 1.00 1.54 0.00 2.12 0.00 -2.05 -3.18 119.26 118.69 2fl1 h ALA 212 Ca 0.00 -0.20 -0.28 0.00 0.00 0.00 0.00 54.91 54.43 2fl1 h ALA 212 Cb 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2fl1 h ALA 212 CO 0.00 0.27 -1.66 0.87 0.00 0.00 0.00 179.25 178.73 2fl1 h LYS 213 N 0.00 0.00 -3.33 0.00 1.57 -2.02 -3.49 116.57 109.31 2fl1 h LYS 213 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2fl1 h LYS 213 Cb 0.41 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.57 2fl1 h LYS 213 CO 0.03 0.49 -0.14 -0.80 -0.57 0.00 0.00 179.45 178.46 2fl1 s ASN 214 N -6.09 -0.19 -0.33 0.86 0.01 -1.20 -5.12 114.94 102.89 2fl1 s ASN 214 Ca -0.04 -0.25 -0.16 0.00 -0.71 0.00 0.00 52.86 51.70 2fl1 s ASN 214 Cb 0.08 0.43 -0.01 0.00 0.41 0.00 0.00 41.25 42.15 2fl1 s ASN 214 CO 0.82 -0.75 0.40 -1.58 -1.51 0.00 0.00 177.10 174.48 2fl1 s GLN 215 N -3.26 3.67 0.05 -0.60 0.74 -1.26 -1.12 119.66 117.88 2fl1 s GLN 215 Ca -0.00 -0.26 -0.03 0.00 0.05 0.00 0.00 55.36 55.12 2fl1 s GLN 215 Cb 0.01 -3.78 -0.03 0.00 1.10 0.00 0.00 33.01 30.32 2fl1 s GLN 215 CO -0.08 -0.51 0.03 0.15 -0.55 0.00 0.00 175.29 174.33 2fl1 s LYS 216 N 2.12 0.63 0.11 1.67 1.02 -1.26 -1.30 119.74 122.74 2fl1 s LYS 216 Ca 0.14 -1.07 -0.25 0.00 0.02 0.00 0.00 55.97 54.81 2fl1 s LYS 216 Cb -0.16 0.23 0.07 0.00 -0.52 0.00 0.00 37.83 37.45 2fl1 s LYS 216 CO 0.12 -0.14 0.83 1.67 -0.92 0.00 0.00 175.35 176.91 2fl1 s TRP 217 N -3.55 -0.30 0.07 3.18 -2.14 -0.78 -0.39 118.94 115.03 2fl1 s TRP 217 Ca 0.03 0.05 0.10 0.00 2.66 0.00 0.00 56.10 58.94 2fl1 s TRP 217 Cb 0.05 0.60 -0.03 0.00 -3.10 0.00 0.00 33.47 30.98 2fl1 s TRP 217 CO -0.09 -0.78 -0.26 -1.14 -2.66 0.00 0.00 176.95 172.02 2fl1 s GLN 218 N -3.40 1.66 0.07 3.25 0.74 0.36 -1.04 119.66 121.30 2fl1 s GLN 218 Ca 0.07 -1.16 0.09 0.00 0.05 0.00 0.00 55.36 54.41 2fl1 s GLN 218 Cb -0.02 -1.92 -0.03 0.00 1.10 0.00 0.00 33.01 32.14 2fl1 s GLN 218 CO -0.04 0.49 -0.26 -0.51 -0.55 0.00 0.00 175.29 174.42 2fl1 s LEU 219 N -1.45 2.21 -0.09 3.68 1.43 0.68 -1.12 118.68 124.02 2fl1 s LEU 219 Ca 0.12 -0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 52.59 2fl1 s LEU 219 Cb -0.10 -1.22 0.03 0.00 0.03 0.00 0.00 46.19 44.93 2fl1 s LEU 219 CO 0.03 0.22 -0.04 -0.63 0.23 0.00 0.00 176.35 176.16 2fl1 s ILE 220 N -0.87 0.74 0.06 -0.59 1.01 -0.10 -0.43 121.20 121.02 2fl1 s ILE 220 Ca 0.12 -0.12 0.10 0.00 0.00 0.00 0.00 60.65 60.74 2fl1 s ILE 220 Cb -0.10 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.53 2fl1 s ILE 220 CO 0.03 0.31 -0.26 -0.70 0.00 0.00 0.00 174.94 174.32 2fl1 s GLU 221 N 1.72 1.70 -0.03 2.79 2.12 -0.83 -1.02 118.70 125.15 2fl1 s GLU 221 Ca 0.03 -1.15 -0.01 0.00 0.36 0.00 0.00 54.97 54.20 2fl1 s GLU 221 Cb -0.13 -1.94 0.03 0.00 0.26 0.00 0.00 34.13 32.35 2fl1 s GLU 221 CO -0.06 0.49 0.05 -1.58 -0.54 0.00 0.00 175.26 173.63 2fl1 s HIS 222 N -0.86 0.03 -0.01 5.30 2.46 -0.37 -1.79 115.29 120.05 2fl1 s HIS 222 Ca 0.12 0.23 -0.02 0.00 0.47 0.00 0.00 55.06 55.85 2fl1 s HIS 222 Cb -0.10 -0.34 -0.00 0.00 -0.13 0.00 0.00 32.58 32.01 2fl1 s HIS 222 CO 0.03 -0.15 0.05 0.00 -2.47 0.00 0.00 174.74 172.21 2fl1 s ALA 223 N 1.64 -0.12 0.00 1.58 0.00 -0.14 -1.32 121.76 123.39 2fl1 s ALA 223 Ca -0.02 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 51.91 2fl1 s ALA 223 Cb -0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.97 2fl1 s ALA 223 CO -0.03 -0.08 -0.02 0.42 0.00 0.00 0.00 175.76 176.04 2fl1 s ILE 224 N -0.50 0.17 0.04 0.00 1.01 -0.87 -1.13 121.20 119.92 2fl1 s ILE 224 Ca -0.06 -0.15 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 2fl1 s ILE 224 Cb -0.04 -0.16 -0.05 0.00 0.01 0.00 0.00 42.46 42.22 2fl1 s ILE 224 CO 0.00 0.01 0.29 0.00 0.00 0.00 0.00 174.94 175.24 2fl1 s ALA 225 N -0.15 3.84 0.28 9.38 0.00 -0.27 -1.33 121.76 133.52 2fl1 s ALA 225 Ca -0.00 -0.58 -0.20 0.00 0.00 0.00 0.00 51.96 51.17 2fl1 s ALA 225 Cb -0.01 -2.07 0.03 0.00 0.00 0.00 0.00 23.12 21.07 2fl1 s ALA 225 CO -0.00 0.66 0.77 -1.54 0.00 0.00 0.00 175.76 175.65 2fl1 s SER 226 N -1.88 -0.19 0.00 0.00 1.04 0.36 -4.46 113.70 108.57 2fl1 s SER 226 Ca 0.31 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 56.04 2fl1 s SER 226 Cb -0.13 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2fl1 s SER 226 CO 0.18 -1.36 0.00 0.54 0.98 0.00 0.00 173.24 173.59 2fl1 n ARG 227 N -0.48 1.56 -1.76 4.02 5.12 -1.26 0.18 116.66 124.04 2fl1 n ARG 227 Ca -0.05 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.49 2fl1 n ARG 227 Cb 0.59 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.94 2fl1 n ARG 227 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2fl1 s SER 228 N -0.93 5.22 0.08 0.55 0.15 -1.26 -4.82 113.70 112.69 2fl1 s SER 228 Ca 0.00 2.78 0.28 0.00 0.70 0.00 0.00 55.95 59.71 2fl1 s SER 228 Cb 0.00 -2.64 1.00 0.00 -1.71 0.00 0.00 66.02 62.68 2fl1 s SER 228 CO 0.00 -1.61 1.82 0.00 1.20 0.00 0.00 173.24 174.65 2fl1 n ALA 229 N -1.07 2.40 -2.52 5.45 0.00 -1.26 -4.81 120.51 118.71 2fl1 n ALA 229 Ca 0.11 -0.09 -0.38 0.00 0.00 0.00 0.00 53.44 53.07 2fl1 n ALA 229 Cb 0.45 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.40 2fl1 n ALA 229 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2fl1 s LEU 230 N -3.61 4.42 0.00 0.00 1.43 -1.26 -5.33 118.68 114.32 2fl1 s LEU 230 Ca 0.12 0.99 0.11 0.00 -1.03 0.00 0.00 54.13 54.31 2fl1 s LEU 230 Cb 0.16 -2.70 0.63 0.00 0.03 0.00 0.00 46.19 44.31 2fl1 s LEU 230 CO 0.57 0.20 1.07 -0.81 0.23 0.00 0.00 176.35 177.62