#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3flf s THR 2 N 0.00 4.98 0.00 9.51 2.01 -1.26 -4.99 115.64 125.89 3flf s THR 2 Ca 0.00 1.62 0.00 0.00 0.31 0.00 0.00 61.69 63.62 3flf s THR 2 Cb 0.00 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.39 3flf s THR 2 CO 0.00 0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.73 3flf n GLY 3 N 3.12 0.91 3.50 4.40 0.00 -1.26 -4.72 105.19 111.14 3flf n GLY 3 Ca 0.01 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 3flf n GLY 3 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3flf s THR 4 N -2.14 3.19 0.21 2.61 -1.32 -0.70 -4.83 115.64 112.66 3flf s THR 4 Ca 0.00 -0.71 -0.30 0.00 -1.21 0.00 0.00 61.69 59.47 3flf s THR 4 Cb 0.00 -2.27 -0.09 0.00 -1.51 0.00 0.00 72.50 68.63 3flf s THR 4 CO 0.00 0.57 1.29 -0.44 -2.21 0.00 0.00 174.62 173.83 3flf s SER 5 N -0.82 6.91 0.34 8.08 0.01 -1.26 -0.27 113.70 126.69 3flf s SER 5 Ca 0.12 2.40 0.04 0.00 1.31 0.00 0.00 55.95 59.82 3flf s SER 5 Cb -0.11 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.48 3flf s SER 5 CO 0.01 -0.50 0.16 0.42 0.41 0.00 0.00 173.24 173.74 3flf s THR 6 N -0.01 0.41 -0.13 1.44 -4.23 -0.31 -4.90 115.64 107.92 3flf s THR 6 Ca 0.56 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 3flf s THR 6 Cb -0.36 -2.47 0.02 0.00 1.34 0.00 0.00 72.50 71.03 3flf s THR 6 CO 0.39 0.00 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.67 3flf s VAL 7 N -3.44 1.32 0.50 2.29 1.01 -1.26 -1.45 120.40 119.36 3flf s VAL 7 Ca 0.33 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.90 3flf s VAL 7 Cb 0.04 -1.27 0.04 0.00 0.00 0.00 0.00 36.38 35.19 3flf s VAL 7 CO 0.18 0.42 0.68 -0.83 0.00 0.00 0.00 175.10 175.55 3flf s GLY 8 N 1.52 1.85 0.02 4.51 0.00 0.14 -4.92 107.32 110.45 3flf s GLY 8 Ca 0.04 -1.82 0.01 0.00 0.00 0.00 0.00 44.72 42.94 3flf s GLY 8 CO -0.09 -1.52 -0.05 0.54 0.00 0.00 0.00 173.10 171.99 3flf s VAL 9 N -2.53 0.33 0.00 1.40 0.11 -0.99 -0.94 120.40 117.78 3flf s VAL 9 Ca 0.58 -0.71 0.00 0.00 -2.93 0.00 0.00 61.98 58.92 3flf s VAL 9 Cb -0.08 -0.38 0.00 0.00 -1.53 0.00 0.00 36.38 34.38 3flf s VAL 9 CO 0.36 -0.26 0.00 0.61 -3.33 0.00 0.00 175.10 172.48 3flf n GLY 10 N 2.02 2.61 3.00 6.54 0.00 -0.81 -0.12 105.19 118.44 3flf n GLY 10 Ca -0.20 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 3flf n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3flf s ARG 11 N 1.23 1.15 0.00 1.61 0.52 -0.99 -1.27 118.95 121.20 3flf s ARG 11 Ca 0.00 -0.33 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 3flf s ARG 11 Cb 0.00 -1.04 0.00 0.00 0.52 0.00 0.00 34.95 34.43 3flf s ARG 11 CO 0.00 0.09 0.00 0.41 0.02 0.00 0.00 175.30 175.82 3flf n GLY 12 N 3.45 -0.57 0.26 -3.53 0.00 0.98 -4.19 105.19 101.59 3flf n GLY 12 Ca -0.20 -1.74 0.02 0.00 0.00 0.00 0.00 46.02 44.09 3flf n GLY 12 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3flf h VAL 13 N -0.74 1.17 -0.34 1.61 2.07 -1.89 -2.34 116.25 115.79 3flf h VAL 13 Ca 0.00 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3flf h VAL 13 Cb 0.00 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3flf h VAL 13 CO 0.00 0.23 0.00 0.18 0.02 0.00 0.00 177.57 178.00 3flf n LEU 14 N -4.30 2.24 0.00 2.57 4.77 -1.26 -4.91 117.00 116.10 3flf n LEU 14 Ca 0.00 -1.04 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 3flf n LEU 14 Cb 0.23 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3flf n LEU 14 CO 0.38 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 3flf n GLY 15 N 1.21 0.76 3.73 -0.72 0.00 -0.88 -5.06 105.19 104.22 3flf n GLY 15 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3flf n GLY 15 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3flf s ASP 16 N -2.65 7.45 0.15 1.61 -4.77 -1.26 -4.73 116.67 112.47 3flf s ASP 16 Ca 0.00 1.80 -0.27 0.00 -3.30 0.00 0.00 52.55 50.78 3flf s ASP 16 Cb 0.00 -2.59 -0.07 0.00 -1.09 0.00 0.00 42.92 39.17 3flf s ASP 16 CO 0.00 -0.12 0.85 -1.58 0.70 0.00 0.00 175.17 175.02 3flf s GLN 17 N 0.16 4.65 0.03 2.11 0.74 -1.26 -0.02 119.66 126.07 3flf s GLN 17 Ca 0.48 1.27 -0.19 0.00 0.05 0.00 0.00 55.36 56.98 3flf s GLN 17 Cb -0.24 -3.31 0.04 0.00 1.10 0.00 0.00 33.01 30.61 3flf s GLN 17 CO 0.30 0.44 0.42 -1.59 -0.55 0.00 0.00 175.29 174.31 3flf s LYS 18 N -0.75 0.90 0.31 1.67 -2.85 -0.40 -4.95 119.74 113.67 3flf s LYS 18 Ca 0.39 -0.29 -0.27 0.00 -1.00 0.00 0.00 55.97 54.80 3flf s LYS 18 Cb -0.23 0.40 -0.09 0.00 -2.06 0.00 0.00 37.83 35.85 3flf s LYS 18 CO 0.28 -0.30 0.98 -0.80 0.10 0.00 0.00 175.35 175.60 3flf s ASN 19 N -1.86 7.33 0.01 0.03 0.01 -1.26 -1.93 114.94 117.27 3flf s ASN 19 Ca -0.07 1.95 0.03 0.00 -0.71 0.00 0.00 52.86 54.06 3flf s ASN 19 Cb -0.01 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 3flf s ASN 19 CO -0.01 -0.08 -0.09 0.27 -1.51 0.00 0.00 177.10 175.68 3flf s ILE 20 N -1.45 0.70 -0.30 0.60 -4.36 -0.12 -4.98 121.20 111.30 3flf s ILE 20 Ca 0.48 -0.57 -0.28 0.00 -0.26 0.00 0.00 60.65 60.01 3flf s ILE 20 Cb -0.23 -0.63 0.01 0.00 1.25 0.00 0.00 42.46 42.87 3flf s ILE 20 CO 0.29 0.06 1.04 0.20 0.24 0.00 0.00 174.94 176.76 3flf s ASN 21 N -0.58 6.95 0.51 4.36 0.01 -1.26 0.23 114.94 125.16 3flf s ASN 21 Ca 0.01 1.10 0.01 0.00 -0.71 0.00 0.00 52.86 53.26 3flf s ASN 21 Cb -0.05 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 39.08 3flf s ASN 21 CO 0.00 -0.80 0.02 0.42 -1.51 0.00 0.00 177.10 175.23 3flf s THR 22 N 3.47 1.01 -0.04 1.60 -4.23 -0.53 -3.36 115.64 113.56 3flf s THR 22 Ca 0.44 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.97 3flf s THR 22 Cb -0.13 -2.08 0.01 0.00 1.34 0.00 0.00 72.50 71.63 3flf s THR 22 CO 0.13 0.00 -0.09 -0.89 -0.54 0.00 0.00 174.62 173.22 3flf s THR 23 N -2.93 0.85 -0.17 3.99 2.01 -0.44 -1.16 115.64 117.79 3flf s THR 23 Ca 0.04 -0.36 -0.04 0.00 0.31 0.00 0.00 61.69 61.64 3flf s THR 23 Cb 0.01 -0.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.72 3flf s THR 23 CO 0.03 0.27 -0.02 -0.47 -0.69 0.00 0.00 174.62 173.74 3flf s TYR 24 N 0.42 3.05 -0.46 4.92 5.04 0.63 -0.66 117.35 130.30 3flf s TYR 24 Ca -0.07 -0.30 0.04 0.00 -2.44 0.00 0.00 57.07 54.30 3flf s TYR 24 Cb -0.11 -2.00 0.19 0.00 0.35 0.00 0.00 41.96 40.39 3flf s TYR 24 CO 0.01 -0.06 0.79 0.45 -1.34 0.00 0.00 175.55 175.41 3flf s SER 25 N 0.51 -1.20 0.00 4.32 0.15 -1.26 -1.71 113.70 114.50 3flf s SER 25 Ca -0.02 -1.25 0.00 0.00 0.70 0.00 0.00 55.95 55.38 3flf s SER 25 Cb -0.14 1.57 0.00 0.00 -1.71 0.00 0.00 66.02 65.74 3flf s SER 25 CO 0.02 -0.06 0.00 0.41 1.20 0.00 0.00 173.24 174.81 3flf n THR 26 N 3.17 0.00 -3.98 6.45 -1.04 -1.26 -4.79 114.28 112.82 3flf n THR 26 Ca 0.15 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.94 3flf n THR 26 Cb 0.58 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.04 3flf n THR 26 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3flf s TYR 27 N 0.00 2.81 -0.26 -1.42 2.02 -1.26 -4.97 117.35 114.26 3flf s TYR 27 Ca 0.00 -0.33 -0.16 0.00 -0.37 0.00 0.00 57.07 56.20 3flf s TYR 27 Cb 0.00 -1.68 -0.03 0.00 -0.40 0.00 0.00 41.96 39.84 3flf s TYR 27 CO 0.00 0.29 0.45 0.71 -1.57 0.00 0.00 175.55 175.42 3flf s TYR 28 N -2.36 3.27 0.06 2.71 1.51 0.82 -4.40 117.35 118.96 3flf s TYR 28 Ca 0.39 0.54 -0.03 0.00 -1.01 0.00 0.00 57.07 56.96 3flf s TYR 28 Cb -0.04 -2.64 -0.04 0.00 -0.11 0.00 0.00 41.96 39.12 3flf s TYR 28 CO 0.24 -0.24 0.25 0.71 -1.11 0.00 0.00 175.55 175.41 3flf s TYR 29 N 2.12 3.53 -1.26 2.71 2.02 0.17 -0.48 117.35 126.15 3flf s TYR 29 Ca 0.18 0.40 -0.19 0.00 -0.37 0.00 0.00 57.07 57.09 3flf s TYR 29 Cb -0.16 -1.87 0.05 0.00 -0.40 0.00 0.00 41.96 39.59 3flf s TYR 29 CO 0.09 0.57 1.74 -0.51 -1.57 0.00 0.00 175.55 175.87 3flf s LEU 30 N -2.30 3.73 -0.16 -1.29 1.43 0.23 -1.33 118.68 118.98 3flf s LEU 30 Ca 0.34 -2.28 -0.05 0.00 -1.03 0.00 0.00 54.13 51.11 3flf s LEU 30 Cb -0.13 -2.58 0.06 0.00 0.03 0.00 0.00 46.19 43.57 3flf s LEU 30 CO 0.23 -1.40 0.10 -1.58 0.23 0.00 0.00 176.35 173.93 3flf s GLN 31 N 4.53 0.06 -0.35 1.70 0.74 -1.25 -1.49 119.66 123.61 3flf s GLN 31 Ca 0.55 -0.03 -0.19 0.00 0.05 0.00 0.00 55.36 55.75 3flf s GLN 31 Cb 0.03 -1.69 -0.00 0.00 1.10 0.00 0.00 33.01 32.45 3flf s GLN 31 CO 0.07 -0.64 0.54 0.34 -0.55 0.00 0.00 175.29 175.05 3flf s ASP 32 N 2.16 6.35 0.00 6.67 2.15 0.65 -3.00 116.67 131.64 3flf s ASP 32 Ca 0.03 0.05 0.26 0.00 0.43 0.00 0.00 52.55 53.31 3flf s ASP 32 Cb -0.16 -2.28 0.66 0.00 -0.30 0.00 0.00 42.92 40.84 3flf s ASP 32 CO -0.09 -0.49 1.52 0.59 -0.17 0.00 0.00 175.17 176.53 3flf n ASN 33 N 5.79 2.16 -0.03 -0.34 3.02 -1.26 -1.45 115.26 123.15 3flf n ASN 33 Ca -0.04 -1.72 0.14 0.00 -0.03 0.00 0.00 54.58 52.93 3flf n ASN 33 Cb 0.49 0.00 0.56 0.00 -0.61 0.00 0.00 39.78 40.22 3flf n ASN 33 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3flf n THR 34 N 0.68 0.00 -3.99 3.41 -2.24 -1.26 -4.75 114.28 106.13 3flf n THR 34 Ca 0.17 -0.01 -0.27 0.00 -2.27 0.00 0.00 64.05 61.66 3flf n THR 34 Cb 0.46 -0.24 -0.17 0.00 -2.10 0.00 0.00 70.33 68.28 3flf n THR 34 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3flf s ARG 35 N -2.82 1.69 3.86 -0.78 0.52 -1.26 -5.06 118.95 115.10 3flf s ARG 35 Ca 0.19 -0.33 0.00 0.00 -0.52 0.00 0.00 55.73 55.07 3flf s ARG 35 Cb 0.19 -1.67 0.00 0.00 0.52 0.00 0.00 34.95 33.99 3flf s ARG 35 CO 0.54 -0.23 0.00 0.41 0.02 0.00 0.00 175.30 176.04 3flf n GLY 36 N 4.81 2.68 2.15 -3.53 0.00 -1.26 -0.84 105.19 109.20 3flf n GLY 36 Ca -0.14 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 3flf n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3flf n ASN 37 N 1.44 4.24 0.00 1.61 3.02 -1.09 -5.00 115.26 119.49 3flf n ASN 37 Ca 0.00 -3.51 0.00 0.00 -0.03 0.00 0.00 54.58 51.04 3flf n ASN 37 Cb 0.00 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 38.33 3flf n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3flf n GLY 38 N -0.98 2.58 3.08 7.41 0.00 -0.02 -4.49 105.19 112.77 3flf n GLY 38 Ca 0.56 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 3flf n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3flf s ILE 39 N -2.41 1.71 -0.13 -0.61 1.01 -0.53 -1.87 121.20 118.37 3flf s ILE 39 Ca 0.00 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.91 3flf s ILE 39 Cb 0.00 -1.55 0.01 0.00 0.01 0.00 0.00 42.46 40.93 3flf s ILE 39 CO 0.00 0.48 -0.18 -0.36 0.00 0.00 0.00 174.94 174.88 3flf s PHE 40 N 1.06 2.33 -0.07 3.97 0.40 0.20 -0.26 117.98 125.62 3flf s PHE 40 Ca -0.03 -1.17 0.04 0.00 -0.60 0.00 0.00 56.93 55.17 3flf s PHE 40 Cb -0.14 -1.63 -0.01 0.00 0.51 0.00 0.00 43.02 41.74 3flf s PHE 40 CO -0.04 -0.57 -0.21 0.99 0.70 0.00 0.00 175.22 176.09 3flf s THR 41 N 0.96 2.44 0.14 0.64 2.01 -0.55 -1.19 115.64 120.09 3flf s THR 41 Ca -0.06 -0.92 0.10 0.00 0.31 0.00 0.00 61.69 61.13 3flf s THR 41 Cb -0.15 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 3flf s THR 41 CO -0.03 0.56 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.94 3flf s TYR 42 N -0.12 2.41 -0.35 4.92 1.51 0.66 -0.59 117.35 125.80 3flf s TYR 42 Ca -0.04 -0.32 -0.15 0.00 -1.01 0.00 0.00 57.07 55.55 3flf s TYR 42 Cb -0.14 -1.27 -0.01 0.00 -0.11 0.00 0.00 41.96 40.43 3flf s TYR 42 CO 0.04 0.40 0.34 0.34 -1.11 0.00 0.00 175.55 175.56 3flf s ASP 43 N -2.25 6.15 0.00 2.29 2.15 0.60 -1.39 116.67 124.22 3flf s ASP 43 Ca 0.17 -0.33 0.27 0.00 0.43 0.00 0.00 52.55 53.10 3flf s ASP 43 Cb -0.10 -2.19 0.92 0.00 -0.30 0.00 0.00 42.92 41.26 3flf s ASP 43 CO 0.09 -0.34 1.67 0.00 -0.17 0.00 0.00 175.17 176.41 3flf n ALA 44 N 5.34 2.95 -3.84 3.66 0.00 -0.40 -2.42 120.51 125.79 3flf n ALA 44 Ca -0.10 -0.37 -0.29 0.00 0.00 0.00 0.00 53.44 52.69 3flf n ALA 44 Cb 0.49 -1.20 0.04 0.00 0.00 0.00 0.00 19.45 18.79 3flf n ALA 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3flf n LYS 45 N -0.68 -6.13 -0.97 0.00 5.02 -1.23 -1.78 118.16 112.39 3flf n LYS 45 Ca 0.13 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 57.08 3flf n LYS 45 Cb 0.33 -5.59 0.00 0.00 -0.02 0.00 0.00 35.03 29.75 3flf n LYS 45 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3flf n TYR 46 N -4.76 0.00 -3.30 2.13 4.01 0.42 -4.99 117.16 110.67 3flf n TYR 46 Ca 0.03 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.69 3flf n TYR 46 Cb 0.54 -1.03 0.01 0.00 -0.31 0.00 0.00 39.34 38.55 3flf n TYR 46 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3flf n ARG 47 N -1.01 1.02 0.00 -0.72 1.74 -0.74 -3.36 116.66 113.59 3flf n ARG 47 Ca 0.00 -1.17 0.00 0.00 -0.77 0.00 0.00 57.85 55.91 3flf n ARG 47 Cb 0.23 0.01 0.00 0.00 -1.02 0.00 0.00 32.46 31.69 3flf n ARG 47 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3flf n THR 48 N -1.23 0.79 -2.91 0.55 -2.24 -1.26 -1.13 114.28 106.85 3flf n THR 48 Ca 0.03 -0.88 -0.40 0.00 -2.27 0.00 0.00 64.05 60.52 3flf n THR 48 Cb 0.22 0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 69.01 3flf n THR 48 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3flf s THR 49 N -0.79 4.78 0.12 4.28 -4.23 -1.26 -5.03 115.64 113.51 3flf s THR 49 Ca 0.00 1.73 0.09 0.00 -1.18 0.00 0.00 61.69 62.33 3flf s THR 49 Cb 0.00 -4.16 -0.04 0.00 1.34 0.00 0.00 72.50 69.64 3flf s THR 49 CO 0.00 0.30 -0.22 -0.76 -0.54 0.00 0.00 174.62 173.41 3flf s LEU 50 N 0.30 2.34 0.01 4.79 1.43 -1.26 -3.54 118.68 122.75 3flf s LEU 50 Ca 0.42 -0.74 0.28 0.00 -1.03 0.00 0.00 54.13 53.06 3flf s LEU 50 Cb -0.20 -0.94 1.04 0.00 0.03 0.00 0.00 46.19 46.11 3flf s LEU 50 CO 0.24 0.06 1.80 -0.81 0.23 0.00 0.00 176.35 177.87 3flf n PRO 51 N 0.86 0.02 0.00 1.29 -0.04 -1.26 -5.11 135.00 130.76 3flf n PRO 51 Ca -0.18 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 3flf n PRO 51 Cb 0.54 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 3flf n PRO 51 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3flf n GLY 52 N 1.49 0.31 3.50 0.55 0.00 -1.23 -4.36 105.19 105.44 3flf n GLY 52 Ca 0.07 -1.60 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 3flf n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3flf s SER 53 N -4.00 4.65 0.05 1.61 0.01 -1.02 -4.90 113.70 110.10 3flf s SER 53 Ca 0.00 -0.12 -0.36 0.00 1.31 0.00 0.00 55.95 56.78 3flf s SER 53 Cb 0.00 -1.60 -0.15 0.00 0.21 0.00 0.00 66.02 64.48 3flf s SER 53 CO 0.00 0.22 1.54 -0.11 0.41 0.00 0.00 173.24 175.30 3flf n LEU 54 N 3.17 2.45 -4.66 2.44 7.94 -1.26 -0.29 117.00 126.79 3flf n LEU 54 Ca -0.18 1.08 -0.42 0.00 -1.11 0.00 0.00 56.01 55.39 3flf n LEU 54 Cb 0.53 -1.29 -0.03 0.00 0.53 0.00 0.00 43.42 43.16 3flf n LEU 54 CO 0.31 -0.59 1.57 0.86 -1.11 0.00 0.00 177.39 178.43 3flf s TRP 55 N 1.43 1.40 -0.12 1.96 -0.11 0.24 -4.80 118.94 118.95 3flf s TRP 55 Ca 0.85 -0.36 0.01 0.00 1.22 0.00 0.00 56.10 57.82 3flf s TRP 55 Cb -0.84 -4.20 -0.01 0.00 -1.50 0.00 0.00 33.47 26.91 3flf s TRP 55 CO 0.47 -5.33 -0.16 0.00 -4.62 0.00 0.00 176.95 167.30 3flf s ALA 56 N 4.33 2.49 -0.00 5.86 0.00 -1.26 -0.60 121.76 132.57 3flf s ALA 56 Ca 0.86 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.91 3flf s ALA 56 Cb -0.42 -1.08 -0.00 0.00 0.00 0.00 0.00 23.12 21.62 3flf s ALA 56 CO 0.40 0.27 -0.02 0.34 0.00 0.00 0.00 175.76 176.75 3flf s ASP 57 N 0.30 0.20 0.19 0.00 -1.08 0.36 -4.95 116.67 111.70 3flf s ASP 57 Ca -0.12 -0.05 0.04 0.00 -0.52 0.00 0.00 52.55 51.90 3flf s ASP 57 Cb -0.16 -0.02 0.09 0.00 -1.46 0.00 0.00 42.92 41.37 3flf s ASP 57 CO 0.06 0.01 1.45 0.00 0.52 0.00 0.00 175.17 177.21 3flf h ALA 58 N 6.06 0.65 0.00 3.66 0.00 -1.93 0.23 119.26 127.93 3flf h ALA 58 Ca -0.25 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 53.99 3flf h ALA 58 Cb 1.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3flf h ALA 58 CO 0.50 0.86 0.00 -0.40 0.00 0.00 0.00 179.25 180.21 3flf n ASP 59 N -3.72 1.44 -0.31 0.00 5.68 -1.26 -4.63 116.55 113.74 3flf n ASP 59 Ca -0.03 -1.67 -0.04 0.00 -0.50 0.00 0.00 54.79 52.55 3flf n ASP 59 Cb 0.74 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.70 3flf n ASP 59 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3flf n ASN 60 N -0.34 -4.56 -4.40 -1.12 5.15 -1.26 -4.99 115.26 103.75 3flf n ASN 60 Ca 0.00 0.10 -0.35 0.00 -0.60 0.00 0.00 54.58 53.73 3flf n ASN 60 Cb 0.28 -2.41 -0.13 0.00 -0.53 0.00 0.00 39.78 36.99 3flf n ASN 60 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3flf s GLN 61 N -1.75 3.53 -0.57 1.20 -1.52 -1.26 -2.35 119.66 116.93 3flf s GLN 61 Ca 0.00 -0.57 0.05 0.00 -1.95 0.00 0.00 55.36 52.89 3flf s GLN 61 Cb 0.00 -3.00 0.34 0.00 -0.22 0.00 0.00 33.01 30.14 3flf s GLN 61 CO 0.00 -0.01 0.96 1.19 -0.25 0.00 0.00 175.29 177.18 3flf n PHE 62 N 4.27 4.02 0.45 0.91 3.01 0.83 -4.78 117.46 126.18 3flf n PHE 62 Ca -0.18 -3.95 0.11 0.00 1.01 0.00 0.00 57.45 54.44 3flf n PHE 62 Cb 0.52 -0.47 0.17 0.00 -0.01 0.00 0.00 39.48 39.69 3flf n PHE 62 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3flf n PHE 63 N -0.26 0.33 -2.40 1.38 3.72 -1.26 -2.33 117.46 116.63 3flf n PHE 63 Ca 0.31 -0.18 -0.33 0.00 -0.05 0.00 0.00 57.45 57.20 3flf n PHE 63 Cb 0.41 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.92 3flf n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3flf s ALA 64 N -1.52 2.90 0.43 4.37 0.00 -1.26 -4.88 121.76 121.80 3flf s ALA 64 Ca 0.33 0.43 0.10 0.00 0.00 0.00 0.00 51.96 52.81 3flf s ALA 64 Cb 0.20 -3.20 0.95 0.00 0.00 0.00 0.00 23.12 21.06 3flf s ALA 64 CO 0.29 -0.38 2.05 0.66 0.00 0.00 0.00 175.76 178.37 3flf h SER 65 N 1.14 0.29 0.74 0.00 4.64 -1.97 0.51 113.55 118.90 3flf h SER 65 Ca -0.48 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 60.81 3flf h SER 65 Cb 1.21 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3flf h SER 65 CO 0.59 0.26 -0.03 0.22 -0.87 0.00 0.00 176.83 177.01 3flf h TYR 66 N 0.33 0.00 0.00 4.77 3.20 -1.98 -2.92 116.97 120.37 3flf h TYR 66 Ca 0.09 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.88 3flf h TYR 66 Cb 0.06 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 3flf h TYR 66 CO 0.00 0.03 -0.67 -0.44 -1.64 0.00 0.00 178.16 175.44 3flf h ASP 67 N 0.00 0.00 -0.23 -2.11 3.32 -1.21 -3.41 116.42 112.78 3flf h ASP 67 Ca -0.00 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.10 3flf h ASP 67 Cb 0.41 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.91 3flf h ASP 67 CO 0.00 0.31 -0.08 0.00 -1.72 0.00 0.00 179.24 177.76 3flf h ALA 68 N 1.69 0.12 -0.72 3.45 0.00 -1.40 -1.68 119.26 120.72 3flf h ALA 68 Ca -0.04 0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3flf h ALA 68 Cb 1.27 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 3flf h ALA 68 CO 0.03 -0.49 0.48 -1.35 0.00 0.00 0.00 179.25 177.92 3flf h PRO 69 N -0.03 0.90 -0.25 0.00 0.11 -1.80 -2.21 132.00 128.71 3flf h PRO 69 Ca 0.12 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.13 3flf h PRO 69 Cb 0.21 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 3flf h PRO 69 CO -0.25 0.59 -0.01 0.00 -0.21 0.00 0.00 178.00 178.12 3flf h ALA 70 N 1.57 0.34 -0.39 -0.75 0.00 -1.67 -0.65 119.26 117.72 3flf h ALA 70 Ca 0.27 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.03 3flf h ALA 70 Cb -0.03 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.59 3flf h ALA 70 CO -0.07 0.09 -0.12 0.28 0.00 0.00 0.00 179.25 179.43 3flf h VAL 71 N 0.23 0.56 -0.15 0.00 2.07 -1.02 -0.47 116.25 117.47 3flf h VAL 71 Ca 0.07 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.40 3flf h VAL 71 Cb 0.44 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3flf h VAL 71 CO 0.02 0.00 -0.69 0.44 0.02 0.00 0.00 177.57 177.35 3flf h ASP 72 N -0.03 0.73 -0.72 0.57 3.32 -1.32 -0.29 116.42 118.69 3flf h ASP 72 Ca 0.19 -0.45 0.05 0.00 0.02 0.00 0.00 57.03 56.84 3flf h ASP 72 Cb 0.32 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 3flf h ASP 72 CO -0.42 1.22 0.42 0.00 -1.72 0.00 0.00 179.24 178.74 3flf h ALA 73 N 0.78 0.96 -0.10 3.45 0.00 -0.79 0.21 119.26 123.77 3flf h ALA 73 Ca -0.03 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3flf h ALA 73 Cb 1.29 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3flf h ALA 73 CO 0.13 0.14 -0.10 1.25 0.00 0.00 0.00 179.25 180.68 3flf h HIS 74 N 0.79 0.28 -0.19 0.00 -0.00 -1.00 -1.65 115.15 113.39 3flf h HIS 74 Ca 0.31 -0.08 -0.08 0.00 -0.00 0.00 0.00 60.37 60.52 3flf h HIS 74 Cb 0.13 -0.06 -0.00 0.00 -0.00 0.00 0.00 27.41 27.48 3flf h HIS 74 CO -0.06 0.66 -0.18 -0.92 -0.00 0.00 0.00 177.93 177.44 3flf h TYR 75 N -0.18 0.54 0.00 5.26 5.03 -0.91 -2.54 116.97 124.17 3flf h TYR 75 Ca 0.02 -0.16 -0.08 0.00 2.58 0.00 0.00 58.73 61.08 3flf h TYR 75 Cb 0.61 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.77 3flf h TYR 75 CO 0.09 0.81 -0.40 1.88 -1.32 0.00 0.00 178.16 179.21 3flf h TYR 76 N 0.12 0.00 -0.92 -3.82 0.05 -0.65 -0.46 116.97 111.29 3flf h TYR 76 Ca 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 3flf h TYR 76 Cb 0.71 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.41 3flf h TYR 76 CO 0.08 0.40 0.53 0.00 -1.05 0.00 0.00 178.16 178.13 3flf h ALA 77 N 1.60 1.20 -0.61 3.88 0.00 -1.25 0.18 119.26 124.27 3flf h ALA 77 Ca -0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3flf h ALA 77 Cb 0.92 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3flf h ALA 77 CO 0.05 0.66 -0.01 0.78 0.00 0.00 0.00 179.25 180.74 3flf h GLY 78 N 1.28 1.16 1.13 0.00 0.00 -0.70 0.44 103.07 106.38 3flf h GLY 78 Ca 0.33 -0.85 -0.04 0.00 0.00 0.00 0.00 47.33 46.77 3flf h GLY 78 CO -0.06 0.79 0.32 -2.08 0.00 0.00 0.00 176.54 175.51 3flf h VAL 79 N 0.98 1.25 -0.33 4.60 2.07 -0.75 -1.23 116.25 122.83 3flf h VAL 79 Ca 0.17 -0.76 -0.10 0.00 0.82 0.00 0.00 66.70 66.83 3flf h VAL 79 Cb 0.57 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3flf h VAL 79 CO 0.03 0.31 -0.18 0.74 0.02 0.00 0.00 177.57 178.49 3flf h THR 80 N 1.09 1.29 -0.31 2.57 2.02 -0.62 -1.59 112.91 117.35 3flf h THR 80 Ca 0.25 -1.31 0.07 0.00 0.77 0.00 0.00 66.41 66.19 3flf h THR 80 Cb 0.18 1.42 -0.08 0.00 -1.74 0.00 0.00 68.15 67.93 3flf h THR 80 CO -0.02 0.43 -0.30 0.22 0.37 0.00 0.00 175.52 176.21 3flf h TYR 81 N 0.48 -0.83 -0.90 3.16 5.03 -0.69 -1.83 116.97 121.38 3flf h TYR 81 Ca 0.07 0.05 0.10 0.00 2.58 0.00 0.00 58.73 61.53 3flf h TYR 81 Cb 0.73 0.41 -0.07 0.00 1.55 0.00 0.00 36.73 39.35 3flf h TYR 81 CO 0.06 -0.37 0.58 -0.44 -1.32 0.00 0.00 178.16 176.67 3flf h ASP 82 N -0.28 0.82 -0.02 -2.11 3.32 -1.00 -1.39 116.42 115.76 3flf h ASP 82 Ca 0.15 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 3flf h ASP 82 Cb 0.52 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 3flf h ASP 82 CO -0.47 0.48 0.01 0.22 -1.72 0.00 0.00 179.24 177.75 3flf h TYR 83 N 0.90 0.03 -0.53 4.55 3.20 -0.49 0.04 116.97 124.67 3flf h TYR 83 Ca 0.42 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.21 3flf h TYR 83 Cb 0.41 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 3flf h TYR 83 CO -0.00 0.21 0.02 1.88 -1.64 0.00 0.00 178.16 178.63 3flf h TYR 84 N -0.16 0.94 0.19 -3.82 0.05 -0.93 0.20 116.97 113.44 3flf h TYR 84 Ca 0.01 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.64 3flf h TYR 84 Cb 0.19 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.68 3flf h TYR 84 CO -0.01 0.84 -0.09 -0.22 -1.05 0.00 0.00 178.16 177.63 3flf h LYS 85 N 0.82 -0.24 -0.44 4.88 3.64 -0.96 0.69 116.57 124.96 3flf h LYS 85 Ca 0.16 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 3flf h LYS 85 Cb 0.46 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 3flf h LYS 85 CO 0.02 0.16 -0.10 -0.91 -2.27 0.00 0.00 179.45 176.34 3flf h ASN 86 N -0.87 0.77 0.08 4.20 2.35 -1.00 -1.16 115.58 119.95 3flf h ASN 86 Ca -0.03 -0.23 -0.37 0.00 -0.55 0.00 0.00 56.30 55.12 3flf h ASN 86 Cb 0.51 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.63 3flf h ASN 86 CO 0.04 0.90 -2.22 0.52 -1.65 0.00 0.00 177.43 175.02 3flf n VAL 87 N -4.17 1.62 -0.01 2.81 0.31 0.70 -4.51 118.33 115.09 3flf n VAL 87 Ca 0.01 -0.64 0.03 0.00 -0.01 0.00 0.00 64.34 63.74 3flf n VAL 87 Cb 0.36 -1.48 0.07 0.00 -0.91 0.00 0.00 33.84 31.89 3flf n VAL 87 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3flf n HIS 88 N -3.31 0.20 -3.26 3.52 8.25 -0.39 -4.96 115.22 115.27 3flf n HIS 88 Ca -0.37 -0.37 -0.24 0.00 -0.26 0.00 0.00 57.72 56.48 3flf n HIS 88 Cb 1.03 -0.03 0.03 0.00 1.12 0.00 0.00 29.99 32.14 3flf n HIS 88 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3flf n ASN 89 N 0.17 -5.46 -4.52 0.41 5.15 -0.44 -4.96 115.26 105.62 3flf n ASN 89 Ca 0.06 -0.39 -0.34 0.00 -0.60 0.00 0.00 54.58 53.32 3flf n ASN 89 Cb 0.31 -4.41 -0.12 0.00 -0.53 0.00 0.00 39.78 35.03 3flf n ASN 89 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3flf s ARG 90 N -5.94 3.73 -0.51 1.20 3.52 0.10 -4.93 118.95 116.11 3flf s ARG 90 Ca 0.39 -0.48 -0.18 0.00 -0.13 0.00 0.00 55.73 55.33 3flf s ARG 90 Cb -0.19 -2.99 0.07 0.00 -1.56 0.00 0.00 34.95 30.28 3flf s ARG 90 CO 0.49 0.23 0.59 -0.51 -0.81 0.00 0.00 175.30 175.29 3flf s LEU 91 N 0.42 5.17 0.00 -0.88 1.43 -1.26 -2.50 118.68 121.06 3flf s LEU 91 Ca -0.02 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.00 3flf s LEU 91 Cb -0.14 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.71 3flf s LEU 91 CO 0.02 -0.88 0.00 -0.24 0.23 0.00 0.00 176.35 175.48 3flf n SER 92 N 6.00 -6.90 0.17 2.29 2.88 -1.26 -1.00 113.62 115.79 3flf n SER 92 Ca -0.08 0.79 0.03 0.00 -1.33 0.00 0.00 58.87 58.27 3flf n SER 92 Cb 0.45 -2.23 0.30 0.00 -0.75 0.00 0.00 64.21 61.97 3flf n SER 92 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 175.04 173.91 3flf h TYR 93 N -0.68 0.00 -0.02 0.66 -0.00 -1.92 -2.46 116.97 112.55 3flf h TYR 93 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.74 3flf h TYR 93 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.40 3flf h TYR 93 CO 0.00 0.45 -0.09 -0.40 -0.00 0.00 0.00 178.16 178.12 3flf n ASP 94 N -3.78 1.95 0.00 0.10 5.75 -1.26 -4.39 116.55 114.92 3flf n ASP 94 Ca -0.01 -1.56 0.00 0.00 -0.01 0.00 0.00 54.79 53.21 3flf n ASP 94 Cb 0.51 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 3flf n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3flf n GLY 95 N 1.28 2.10 1.17 6.12 0.00 -0.28 -4.81 105.19 110.76 3flf n GLY 95 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.20 3flf n GLY 95 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3flf n ASN 96 N 0.00 1.63 -3.27 1.61 5.15 -0.79 -4.18 115.26 115.42 3flf n ASN 96 Ca 0.00 -3.05 -0.22 0.00 -0.60 0.00 0.00 54.58 50.72 3flf n ASN 96 Cb 0.00 -0.42 0.07 0.00 -0.53 0.00 0.00 39.78 38.89 3flf n ASN 96 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3flf n ASN 97 N -0.43 -6.01 -4.64 1.20 5.03 -0.17 -4.93 115.26 105.31 3flf n ASN 97 Ca 0.15 -0.46 -0.40 0.00 0.87 0.00 0.00 54.58 54.74 3flf n ASN 97 Cb 0.90 -4.65 0.03 0.00 -1.02 0.00 0.00 39.78 35.03 3flf n ASN 97 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3flf n ALA 98 N -4.62 0.56 -1.76 5.41 0.00 -1.26 -2.66 120.51 116.17 3flf n ALA 98 Ca -0.01 0.16 -0.41 0.00 0.00 0.00 0.00 53.44 53.19 3flf n ALA 98 Cb 0.56 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.86 3flf n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3flf n ALA 99 N -0.83 2.19 -3.04 0.00 0.00 -1.26 -4.57 120.51 113.00 3flf n ALA 99 Ca 0.10 0.32 -0.36 0.00 0.00 0.00 0.00 53.44 53.50 3flf n ALA 99 Cb 0.42 -2.40 -0.12 0.00 0.00 0.00 0.00 19.45 17.35 3flf n ALA 99 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3flf s ILE 100 N -1.14 4.27 0.00 0.00 1.01 -0.78 -5.03 121.20 119.53 3flf s ILE 100 Ca 0.56 -0.19 0.08 0.00 0.00 0.00 0.00 60.65 61.09 3flf s ILE 100 Cb -0.48 -2.97 -0.02 0.00 0.01 0.00 0.00 42.46 39.00 3flf s ILE 100 CO 0.62 0.38 -0.24 -0.13 0.00 0.00 0.00 174.94 175.56 3flf s ARG 101 N 1.30 1.87 -0.01 2.79 0.52 -1.26 -0.63 118.95 123.54 3flf s ARG 101 Ca 0.05 -0.94 0.02 0.00 -0.52 0.00 0.00 55.73 54.34 3flf s ARG 101 Cb -0.15 -1.89 -0.00 0.00 0.52 0.00 0.00 34.95 33.44 3flf s ARG 101 CO 0.03 0.51 -0.08 -1.12 0.02 0.00 0.00 175.30 174.65 3flf s SER 102 N -0.80 1.02 -0.06 0.23 0.01 -0.33 -1.01 113.70 112.76 3flf s SER 102 Ca 0.10 -0.16 0.03 0.00 1.31 0.00 0.00 55.95 57.24 3flf s SER 102 Cb -0.09 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 65.93 3flf s SER 102 CO 0.00 0.08 -0.16 -0.44 0.41 0.00 0.00 173.24 173.14 3flf s SER 103 N -0.02 3.88 0.51 2.44 0.01 -0.46 -0.24 113.70 119.82 3flf s SER 103 Ca 0.01 -0.26 0.02 0.00 1.31 0.00 0.00 55.95 57.03 3flf s SER 103 Cb -0.05 -0.95 -0.01 0.00 0.21 0.00 0.00 66.02 65.22 3flf s SER 103 CO -0.00 0.30 0.07 0.68 0.41 0.00 0.00 173.24 174.71 3flf s VAL 104 N -0.48 1.29 -1.55 3.43 -7.23 -0.49 -1.33 120.40 114.03 3flf s VAL 104 Ca 0.06 -1.91 -0.13 0.00 -1.81 0.00 0.00 61.98 58.20 3flf s VAL 104 Cb -0.12 -2.20 0.09 0.00 0.56 0.00 0.00 36.38 34.72 3flf s VAL 104 CO 0.02 0.00 0.84 1.41 -0.31 0.00 0.00 175.10 177.06 3flf n HIS 105 N -1.34 -2.03 -2.61 2.82 8.25 -1.20 -1.28 115.22 117.82 3flf n HIS 105 Ca -0.15 0.85 -0.42 0.00 -0.26 0.00 0.00 57.72 57.74 3flf n HIS 105 Cb 0.66 -3.68 -0.03 0.00 1.12 0.00 0.00 29.99 28.07 3flf n HIS 105 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3flf s TYR 106 N -3.40 3.50 0.00 4.41 5.04 -0.97 -0.43 117.35 125.50 3flf s TYR 106 Ca 0.56 1.52 0.00 0.00 -2.44 0.00 0.00 57.07 56.71 3flf s TYR 106 Cb -0.29 -3.24 0.00 0.00 0.35 0.00 0.00 41.96 38.78 3flf s TYR 106 CO 0.86 -0.52 0.00 0.45 -1.34 0.00 0.00 175.55 175.01 3flf n SER 107 N 4.41 -3.04 -4.14 4.32 2.88 -0.28 -4.28 113.62 113.49 3flf n SER 107 Ca 0.08 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.33 3flf n SER 107 Cb 0.49 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.78 3flf n SER 107 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3flf s GLN 108 N 0.00 2.53 -1.59 -1.46 -0.21 -1.24 -4.26 119.66 113.43 3flf s GLN 108 Ca 0.00 -0.70 0.00 0.00 0.02 0.00 0.00 55.36 54.68 3flf s GLN 108 Cb 0.00 -1.98 0.00 0.00 1.00 0.00 0.00 33.01 32.03 3flf s GLN 108 CO 0.00 0.10 0.00 0.41 -2.12 0.00 0.00 175.29 173.68 3flf n GLY 109 N 3.70 -0.47 3.62 3.09 0.00 -1.26 -4.90 105.19 108.97 3flf n GLY 109 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 3flf n GLY 109 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3flf s TYR 110 N -2.92 2.99 -1.04 1.61 5.04 -1.26 -3.63 117.35 118.15 3flf s TYR 110 Ca 0.00 0.95 -0.05 0.00 -2.44 0.00 0.00 57.07 55.53 3flf s TYR 110 Cb 0.00 -4.05 0.06 0.00 0.35 0.00 0.00 41.96 38.32 3flf s TYR 110 CO 0.00 -1.01 2.63 0.09 -1.34 0.00 0.00 175.55 175.92 3flf n ASN 111 N 7.34 7.53 -3.54 4.32 3.02 -1.26 -1.23 115.26 131.43 3flf n ASN 111 Ca 0.12 -3.06 -0.02 0.00 -0.03 0.00 0.00 54.58 51.59 3flf n ASN 111 Cb 0.48 -1.35 0.01 0.00 -0.61 0.00 0.00 39.78 38.31 3flf n ASN 111 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3flf s ASN 112 N 0.65 -0.03 0.05 6.41 3.84 -1.26 -5.02 114.94 119.58 3flf s ASN 112 Ca 0.58 -0.48 -0.11 0.00 0.21 0.00 0.00 52.86 53.06 3flf s ASN 112 Cb 0.25 0.39 0.01 0.00 -0.55 0.00 0.00 41.25 41.35 3flf s ASN 112 CO -0.12 -0.77 0.24 0.00 -2.79 0.00 0.00 177.10 173.66 3flf s ALA 113 N -2.35 -0.46 0.21 1.71 0.00 -1.26 -1.23 121.76 118.37 3flf s ALA 113 Ca 0.21 -0.24 -0.23 0.00 0.00 0.00 0.00 51.96 51.69 3flf s ALA 113 Cb -0.01 0.34 0.05 0.00 0.00 0.00 0.00 23.12 23.50 3flf s ALA 113 CO 0.03 -0.41 0.87 -0.59 0.00 0.00 0.00 175.76 175.65 3flf s PHE 114 N -2.83 -0.15 -0.24 0.00 -0.71 0.11 -4.97 117.98 109.19 3flf s PHE 114 Ca -0.03 -0.23 -0.07 0.00 -1.04 0.00 0.00 56.93 55.56 3flf s PHE 114 Cb 0.00 0.67 -0.03 0.00 -1.21 0.00 0.00 43.02 42.45 3flf s PHE 114 CO -0.05 -1.00 0.07 -0.46 -1.34 0.00 0.00 175.22 172.44 3flf s TRP 115 N -3.51 3.09 -1.27 3.49 -0.11 -1.26 0.33 118.94 119.70 3flf s TRP 115 Ca 0.12 -0.39 0.14 0.00 1.22 0.00 0.00 56.10 57.18 3flf s TRP 115 Cb -0.03 -2.23 0.53 0.00 -1.50 0.00 0.00 33.47 30.25 3flf s TRP 115 CO 0.04 -0.33 1.40 0.27 -4.62 0.00 0.00 176.95 173.72 3flf n ASN 116 N 4.83 3.62 0.00 5.86 6.94 -0.59 -4.85 115.26 131.08 3flf n ASN 116 Ca -0.16 -2.32 0.00 0.00 -0.02 0.00 0.00 54.58 52.08 3flf n ASN 116 Cb 0.51 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 3flf n ASN 116 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3flf n GLY 117 N 0.93 3.09 0.00 4.83 0.00 -1.26 -4.80 105.19 107.99 3flf n GLY 117 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3flf n GLY 117 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3flf n SER 118 N 0.00 0.00 -3.51 1.61 7.64 -1.26 -5.12 113.62 112.98 3flf n SER 118 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 3flf n SER 118 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 3flf n SER 118 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3flf s GLN 119 N 0.00 1.06 0.35 1.43 -2.07 -1.26 -4.72 119.66 114.45 3flf s GLN 119 Ca 0.00 -0.42 -0.17 0.00 -1.82 0.00 0.00 55.36 52.95 3flf s GLN 119 Cb 0.00 0.46 -0.10 0.00 -1.09 0.00 0.00 33.01 32.29 3flf s GLN 119 CO 0.00 -0.47 0.80 -1.64 -1.32 0.00 0.00 175.29 172.66 3flf s MET 120 N -3.39 4.07 -0.03 9.60 -1.94 -0.18 -1.54 119.30 125.89 3flf s MET 120 Ca 0.05 0.80 0.00 0.00 -1.71 0.00 0.00 55.69 54.83 3flf s MET 120 Cb -0.01 -2.36 0.03 0.00 2.01 0.00 0.00 34.83 34.49 3flf s MET 120 CO -0.09 0.10 0.01 0.08 -0.01 0.00 0.00 175.02 175.12 3flf s VAL 121 N -2.04 0.11 -0.10 -6.03 1.01 0.15 -1.35 120.40 112.15 3flf s VAL 121 Ca 0.56 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.70 3flf s VAL 121 Cb -0.10 -0.23 0.02 0.00 0.00 0.00 0.00 36.38 36.07 3flf s VAL 121 CO 0.16 0.14 -0.11 -0.31 0.00 0.00 0.00 175.10 174.98 3flf s TYR 122 N 1.17 1.61 0.85 5.22 2.02 -0.44 -0.71 117.35 127.07 3flf s TYR 122 Ca -0.08 -0.75 -0.13 0.00 -0.37 0.00 0.00 57.07 55.74 3flf s TYR 122 Cb -0.13 -1.24 0.11 0.00 -0.40 0.00 0.00 41.96 40.30 3flf s TYR 122 CO -0.02 -0.45 1.21 0.20 -1.57 0.00 0.00 175.55 174.92 3flf s GLY 123 N 1.25 1.63 0.00 0.71 0.00 -0.37 -2.30 107.32 108.25 3flf s GLY 123 Ca -0.03 -0.78 0.26 0.00 0.00 0.00 0.00 44.72 44.17 3flf s GLY 123 CO -0.04 -0.21 1.53 1.22 0.00 0.00 0.00 173.10 175.60 3flf n ASP 124 N -3.46 0.43 -0.36 1.64 8.00 -1.24 -2.45 116.55 119.11 3flf n ASP 124 Ca 0.10 -0.15 0.04 0.00 0.71 0.00 0.00 54.79 55.49 3flf n ASP 124 Cb 0.61 0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.78 3flf n ASP 124 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3flf n GLY 125 N 1.49 -2.58 0.76 0.44 0.00 -0.37 -0.93 105.19 103.99 3flf n GLY 125 Ca 0.06 -1.37 0.08 0.00 0.00 0.00 0.00 46.02 44.80 3flf n GLY 125 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3flf n ASP 126 N -2.71 2.22 0.00 1.61 5.68 -1.17 -4.11 116.55 118.06 3flf n ASP 126 Ca -0.02 -1.93 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 3flf n ASP 126 Cb 0.17 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 3flf n ASP 126 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3flf n GLY 127 N 1.19 2.80 0.59 6.12 0.00 0.16 -4.75 105.19 111.30 3flf n GLY 127 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 3flf n GLY 127 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3flf n GLN 128 N -2.00 0.27 0.08 1.61 1.13 -1.26 -4.68 117.38 112.52 3flf n GLN 128 Ca 0.00 0.11 -0.08 0.00 -1.94 0.00 0.00 57.00 55.09 3flf n GLN 128 Cb 0.00 -0.96 0.05 0.00 0.11 0.00 0.00 30.24 29.44 3flf n GLN 128 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3flf h THR 129 N -0.48 1.42 -3.43 5.09 2.02 -1.96 -3.33 112.91 112.24 3flf h THR 129 Ca -0.12 -2.27 -0.12 0.00 0.77 0.00 0.00 66.41 64.66 3flf h THR 129 Cb 0.78 2.21 -0.19 0.00 -1.74 0.00 0.00 68.15 69.21 3flf h THR 129 CO -0.08 0.67 -0.41 -0.36 0.37 0.00 0.00 175.52 175.72 3flf s PHE 130 N -3.51 0.00 0.41 3.16 0.08 -1.26 -0.38 117.98 116.48 3flf s PHE 130 Ca -0.04 -0.11 0.08 0.00 0.12 0.00 0.00 56.93 56.98 3flf s PHE 130 Cb 0.11 -0.01 0.00 0.00 -0.57 0.00 0.00 43.02 42.55 3flf s PHE 130 CO 0.82 -0.37 0.51 0.96 -0.10 0.00 0.00 175.22 177.04 3flf s ILE 131 N -1.86 2.98 -0.14 0.64 -4.36 -0.76 0.35 121.20 118.05 3flf s ILE 131 Ca -0.11 -1.09 -0.38 0.00 -0.26 0.00 0.00 60.65 58.81 3flf s ILE 131 Cb -0.04 -3.03 -0.15 0.00 1.25 0.00 0.00 42.46 40.49 3flf s ILE 131 CO -0.00 -0.01 1.66 -2.65 0.24 0.00 0.00 174.94 174.17 3flf n PRO 132 N -1.75 1.34 0.24 0.37 -0.02 -0.11 -4.29 135.00 130.79 3flf n PRO 132 Ca 0.06 0.49 0.12 0.00 -2.02 0.00 0.00 63.50 62.15 3flf n PRO 132 Cb 0.60 -2.19 0.59 0.00 -0.02 0.00 0.00 33.50 32.47 3flf n PRO 132 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3flf h LEU 133 N 6.77 0.00 0.00 2.45 4.07 -1.72 -1.39 115.31 125.49 3flf h LEU 133 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 3flf h LEU 133 Cb 1.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.05 3flf h LEU 133 CO 0.91 0.16 0.00 -1.54 -1.08 0.00 0.00 178.44 176.89 3flf n SER 134 N -3.39 0.00 0.03 -0.43 3.41 -1.26 -1.96 113.62 110.01 3flf n SER 134 Ca -0.00 0.25 0.07 0.00 -0.26 0.00 0.00 58.87 58.93 3flf n SER 134 Cb 0.35 -0.36 0.32 0.00 -0.26 0.00 0.00 64.21 64.27 3flf n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3flf n GLY 135 N -0.31 -1.01 3.52 5.00 0.00 -0.53 -4.22 105.19 107.64 3flf n GLY 135 Ca 0.05 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3flf n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3flf s GLY 136 N -3.12 1.95 0.33 -0.02 0.00 -0.83 -4.86 107.32 100.77 3flf s GLY 136 Ca 0.06 -1.40 0.03 0.00 0.00 0.00 0.00 44.72 43.40 3flf s GLY 136 CO 0.27 0.88 1.90 1.19 0.00 0.00 0.00 173.10 177.33 3flf h ILE 137 N 5.54 1.19 -0.58 0.90 2.10 -1.89 -0.56 117.51 124.21 3flf h ILE 137 Ca -0.30 -0.67 -0.06 0.00 1.08 0.00 0.00 64.86 64.91 3flf h ILE 137 Cb 1.15 0.73 -0.03 0.00 -1.09 0.00 0.00 36.82 37.58 3flf h ILE 137 CO 0.67 0.25 0.11 -2.24 -1.08 0.00 0.00 178.15 175.86 3flf h ASP 138 N 0.64 0.86 -0.36 2.19 3.04 -1.94 -0.67 116.42 120.18 3flf h ASP 138 Ca 0.15 -0.17 -0.03 0.00 -3.24 0.00 0.00 57.03 53.74 3flf h ASP 138 Cb 0.22 -0.23 -0.02 0.00 -1.04 0.00 0.00 39.33 38.27 3flf h ASP 138 CO -0.01 0.85 0.12 0.58 -2.04 0.00 0.00 179.24 178.75 3flf h VAL 139 N 0.87 1.21 -0.35 4.15 2.07 -1.68 0.14 116.25 122.65 3flf h VAL 139 Ca 0.18 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3flf h VAL 139 Cb 0.35 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3flf h VAL 139 CO 0.00 0.23 0.13 0.58 0.02 0.00 0.00 177.57 178.54 3flf h VAL 140 N 0.43 1.19 -0.09 2.57 2.07 -0.72 -1.78 116.25 119.93 3flf h VAL 140 Ca 0.12 -0.59 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 3flf h VAL 140 Cb 0.24 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3flf h VAL 140 CO -0.01 0.21 -0.29 0.00 0.02 0.00 0.00 177.57 177.50 3flf h ALA 141 N 0.98 1.35 -0.39 1.67 0.00 -1.00 -1.55 119.26 120.31 3flf h ALA 141 Ca 0.11 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.74 3flf h ALA 141 Cb 0.19 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3flf h ALA 141 CO -0.01 0.46 0.20 1.25 0.00 0.00 0.00 179.25 181.15 3flf h HIS 142 N 0.15 0.37 0.12 0.00 6.17 -0.28 0.40 115.15 122.07 3flf h HIS 142 Ca 0.02 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.11 3flf h HIS 142 Cb 0.60 -0.11 0.00 0.00 2.52 0.00 0.00 27.41 30.42 3flf h HIS 142 CO 0.01 0.20 -0.06 0.93 0.71 0.00 0.00 177.93 179.72 3flf h GLU 143 N 0.41 -0.15 -0.86 5.26 4.39 -0.90 -2.01 114.58 120.71 3flf h GLU 143 Ca 0.17 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.92 3flf h GLU 143 Cb 0.06 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 3flf h GLU 143 CO -0.11 0.14 0.57 1.25 -1.16 0.00 0.00 179.01 179.70 3flf h LEU 144 N -0.44 0.92 -1.74 1.33 5.85 -1.21 0.16 115.31 120.18 3flf h LEU 144 Ca -0.02 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3flf h LEU 144 Cb 0.36 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3flf h LEU 144 CO 0.03 0.62 0.04 0.74 -0.34 0.00 0.00 178.44 179.53 3flf h THR 145 N 1.06 1.07 -0.53 1.05 2.02 -0.73 0.68 112.91 117.53 3flf h THR 145 Ca 0.35 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 67.28 3flf h THR 145 Cb 0.06 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 3flf h THR 145 CO -0.11 0.09 0.35 0.45 0.37 0.00 0.00 175.52 176.68 3flf h HIS 146 N 0.21 0.67 -0.22 3.16 3.86 0.08 -0.67 115.15 122.24 3flf h HIS 146 Ca 0.05 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 3flf h HIS 146 Cb 0.08 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 3flf h HIS 146 CO 0.00 0.42 0.05 0.00 0.86 0.00 0.00 177.93 179.26 3flf h ALA 147 N 1.67 0.29 -0.66 2.45 0.00 -0.80 -1.70 119.26 120.50 3flf h ALA 147 Ca 0.20 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.03 3flf h ALA 147 Cb -0.08 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.55 3flf h ALA 147 CO -0.04 -0.05 0.30 0.28 0.00 0.00 0.00 179.25 179.73 3flf h VAL 148 N 0.16 0.81 -0.32 0.00 2.07 -0.73 -1.22 116.25 117.03 3flf h VAL 148 Ca 0.07 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 3flf h VAL 148 Cb 0.29 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3flf h VAL 148 CO 0.00 0.09 0.12 0.74 0.02 0.00 0.00 177.57 178.55 3flf h THR 149 N 0.51 1.19 -0.55 2.57 2.02 -1.04 -1.82 112.91 115.80 3flf h THR 149 Ca 0.33 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 3flf h THR 149 Cb 0.37 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 3flf h THR 149 CO -0.28 0.20 0.25 0.44 0.37 0.00 0.00 175.52 176.50 3flf h ASP 150 N 0.37 0.70 0.90 4.18 3.32 -0.77 0.42 116.42 125.53 3flf h ASP 150 Ca 0.11 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3flf h ASP 150 Cb 0.20 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3flf h ASP 150 CO -0.01 0.61 -0.01 -1.22 -1.72 0.00 0.00 179.24 176.89 3flf n TYR 151 N -4.36 0.00 0.00 4.55 4.01 -0.51 -4.20 117.16 116.65 3flf n TYR 151 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 3flf n TYR 151 Cb 0.14 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.72 3flf n TYR 151 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3flf n THR 152 N -1.45 0.00 0.14 -0.72 -2.24 -0.08 -4.88 114.28 105.04 3flf n THR 152 Ca 0.08 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.89 3flf n THR 152 Cb 0.32 -0.02 0.40 0.00 -2.10 0.00 0.00 70.33 68.93 3flf n THR 152 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3flf h ALA 153 N 0.74 1.51 -0.82 6.98 0.00 -1.42 -3.47 119.26 122.78 3flf h ALA 153 Ca 0.00 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.50 3flf h ALA 153 Cb 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3flf h ALA 153 CO 0.00 0.35 -0.21 0.41 0.00 0.00 0.00 179.25 179.81 3flf n GLY 154 N -0.83 0.68 3.61 0.00 0.00 0.13 -1.36 105.19 107.41 3flf n GLY 154 Ca -0.01 -0.55 -0.60 0.00 0.00 0.00 0.00 46.02 44.86 3flf n GLY 154 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3flf n LEU 155 N -1.21 1.79 -4.77 0.99 4.77 -1.26 -4.30 117.00 113.01 3flf n LEU 155 Ca -0.10 0.95 -0.40 0.00 -0.03 0.00 0.00 56.01 56.43 3flf n LEU 155 Cb 0.42 -1.05 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 3flf n LEU 155 CO 0.14 -0.63 1.03 -0.63 -1.33 0.00 0.00 177.39 175.98 3flf s ILE 156 N 4.32 2.34 -0.63 -0.08 1.01 -0.59 -4.82 121.20 122.75 3flf s ILE 156 Ca 1.05 0.32 -0.06 0.00 0.00 0.00 0.00 60.65 61.95 3flf s ILE 156 Cb -1.22 -3.19 -0.11 0.00 0.01 0.00 0.00 42.46 37.95 3flf s ILE 156 CO 0.68 0.05 3.13 0.00 0.00 0.00 0.00 174.94 178.81 3flf n TYR 157 N 0.15 1.23 -3.49 3.97 9.36 -1.26 -1.85 117.16 125.27 3flf n TYR 157 Ca 0.03 -2.12 -0.15 0.00 3.32 0.00 0.00 57.90 58.98 3flf n TYR 157 Cb 0.42 -1.78 -0.04 0.00 -0.63 0.00 0.00 39.34 37.30 3flf n TYR 157 CO 0.00 0.00 0.00 1.14 0.22 0.00 0.00 176.86 178.22 3flf s GLN 158 N 0.37 1.14 3.34 2.98 -2.07 -1.26 -4.81 119.66 119.35 3flf s GLN 158 Ca 0.64 -0.11 0.00 0.00 -1.82 0.00 0.00 55.36 54.07 3flf s GLN 158 Cb 0.29 0.53 0.00 0.00 -1.09 0.00 0.00 33.01 32.74 3flf s GLN 158 CO -0.08 -0.43 0.00 0.09 -1.32 0.00 0.00 175.29 173.56 3flf n ASN 159 N 0.32 0.00 -0.13 12.60 3.02 -0.31 -1.39 115.26 129.37 3flf n ASN 159 Ca -0.18 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.26 3flf n ASN 159 Cb 0.61 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.76 3flf n ASN 159 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3flf h GLU 160 N 0.00 0.67 -0.11 3.52 5.08 -1.90 -0.52 114.58 121.32 3flf h GLU 160 Ca 0.00 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 3flf h GLU 160 Cb 0.00 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3flf h GLU 160 CO 0.00 0.79 -0.04 0.66 -1.00 0.00 0.00 179.01 179.42 3flf h SER 161 N 0.48 0.14 -0.02 1.42 4.64 -1.55 -0.91 113.55 117.75 3flf h SER 161 Ca 0.10 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.25 3flf h SER 161 Cb 0.50 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 3flf h SER 161 CO 0.02 0.21 -0.49 1.23 -0.87 0.00 0.00 176.83 176.94 3flf h GLY 162 N 0.44 0.63 1.73 -0.77 0.00 -0.47 -0.44 103.07 104.20 3flf h GLY 162 Ca 0.04 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.59 3flf h GLY 162 CO 0.01 0.62 -0.25 0.00 0.00 0.00 0.00 176.54 176.92 3flf h ALA 163 N 1.00 1.26 -0.26 3.60 0.00 -0.27 -1.79 119.26 122.81 3flf h ALA 163 Ca 0.02 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 3flf h ALA 163 Cb 1.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3flf h ALA 163 CO 0.09 0.49 -0.07 0.82 0.00 0.00 0.00 179.25 180.59 3flf h ILE 164 N 0.28 1.28 -0.48 0.00 2.04 -1.00 0.16 117.51 119.80 3flf h ILE 164 Ca 0.04 -1.09 0.10 0.00 1.00 0.00 0.00 64.86 64.91 3flf h ILE 164 Cb 0.60 1.47 -0.08 0.00 -0.74 0.00 0.00 36.82 38.06 3flf h ILE 164 CO 0.04 0.34 -0.05 -1.13 0.00 0.00 0.00 178.15 177.36 3flf h ASN 165 N 0.25 -0.30 -0.28 1.72 -0.73 -0.84 0.18 115.58 115.58 3flf h ASN 165 Ca 0.06 0.13 -0.02 0.00 1.87 0.00 0.00 56.30 58.34 3flf h ASN 165 Cb 0.54 0.24 -0.01 0.00 0.27 0.00 0.00 38.32 39.36 3flf h ASN 165 CO 0.03 -0.11 0.10 -0.33 -0.37 0.00 0.00 177.43 176.75 3flf h GLU 166 N 0.07 0.42 -0.71 6.67 4.39 -1.18 -2.33 114.58 121.91 3flf h GLU 166 Ca 0.24 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 3flf h GLU 166 Cb 0.37 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 3flf h GLU 166 CO -0.44 0.46 0.35 0.00 -1.16 0.00 0.00 179.01 178.22 3flf h ALA 167 N 0.94 0.92 -0.52 3.43 0.00 0.04 -0.52 119.26 123.55 3flf h ALA 167 Ca 0.09 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.95 3flf h ALA 167 Cb 0.20 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 3flf h ALA 167 CO -0.01 0.48 0.13 0.82 0.00 0.00 0.00 179.25 180.67 3flf h ILE 168 N 1.00 0.74 -0.14 0.00 1.08 -0.53 0.43 117.51 120.09 3flf h ILE 168 Ca 0.25 -0.10 -0.07 0.00 -0.39 0.00 0.00 64.86 64.55 3flf h ILE 168 Cb 0.11 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.28 3flf h ILE 168 CO -0.03 0.05 -0.24 0.28 -0.69 0.00 0.00 178.15 177.52 3flf h SER 169 N 0.28 0.24 -0.02 1.72 0.02 -0.81 -1.13 113.55 113.85 3flf h SER 169 Ca 0.26 -0.07 -0.23 0.00 -0.84 0.00 0.00 61.79 60.91 3flf h SER 169 Cb 0.34 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.83 3flf h SER 169 CO -0.32 0.50 -0.86 0.44 -1.14 0.00 0.00 176.83 175.45 3flf h ASP 170 N 0.23 0.85 -0.11 3.07 3.32 0.24 -0.45 116.42 123.56 3flf h ASP 170 Ca 0.04 -0.60 -0.01 0.00 0.02 0.00 0.00 57.03 56.48 3flf h ASP 170 Cb 0.56 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 3flf h ASP 170 CO 0.04 1.39 0.04 0.40 -1.72 0.00 0.00 179.24 179.39 3flf h ILE 171 N 0.45 1.16 0.00 0.35 2.04 0.06 0.31 117.51 121.87 3flf h ILE 171 Ca -0.07 -0.49 -0.12 0.00 1.00 0.00 0.00 64.86 65.18 3flf h ILE 171 Cb 1.49 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.83 3flf h ILE 171 CO 0.17 0.14 -0.57 -0.26 0.00 0.00 0.00 178.15 177.64 3flf h PHE 172 N 0.01 0.00 -0.91 1.37 0.04 -1.28 0.19 116.94 116.36 3flf h PHE 172 Ca 0.04 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 3flf h PHE 172 Cb 0.19 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.30 3flf h PHE 172 CO -0.01 0.57 0.55 0.78 -0.60 0.00 0.00 178.31 179.59 3flf h GLY 173 N 2.96 1.32 0.85 -1.45 0.00 -0.86 0.13 103.07 106.02 3flf h GLY 173 Ca -0.01 -0.55 -0.09 0.00 0.00 0.00 0.00 47.33 46.68 3flf h GLY 173 CO 0.07 0.53 -0.24 -0.84 0.00 0.00 0.00 176.54 176.06 3flf h THR 174 N 1.25 1.33 -0.51 4.70 2.02 -0.52 -1.83 112.91 119.36 3flf h THR 174 Ca 0.33 -1.43 0.00 0.00 0.77 0.00 0.00 66.41 66.08 3flf h THR 174 Cb -0.05 1.80 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 3flf h THR 174 CO -0.06 0.44 0.32 -0.07 0.37 0.00 0.00 175.52 176.52 3flf h LEU 175 N 0.18 0.59 -0.33 2.58 3.38 -0.33 -1.33 115.31 120.05 3flf h LEU 175 Ca 0.03 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 3flf h LEU 175 Cb 0.80 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3flf h LEU 175 CO 0.06 0.44 -0.42 0.58 0.09 0.00 0.00 178.44 179.19 3flf h VAL 176 N 0.69 1.28 -0.80 1.22 2.07 -0.86 -0.57 116.25 119.28 3flf h VAL 176 Ca 0.18 -1.60 0.08 0.00 0.82 0.00 0.00 66.70 66.19 3flf h VAL 176 Cb -0.06 1.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 3flf h VAL 176 CO -0.04 0.53 0.46 -0.08 0.02 0.00 0.00 177.57 178.46 3flf h GLU 177 N 0.66 0.78 -0.48 1.57 4.81 -0.48 0.63 114.58 122.07 3flf h GLU 177 Ca 0.04 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 3flf h GLU 177 Cb 1.02 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 3flf h GLU 177 CO 0.10 0.52 -0.16 0.74 -0.73 0.00 0.00 179.01 179.48 3flf h PHE 178 N 0.81 1.09 -0.70 0.92 0.04 -1.13 0.12 116.94 118.08 3flf h PHE 178 Ca 0.37 -0.25 0.08 0.00 2.80 0.00 0.00 57.97 60.98 3flf h PHE 178 Cb 0.28 -0.26 -0.07 0.00 2.20 0.00 0.00 35.95 38.10 3flf h PHE 178 CO -0.06 1.05 0.36 -0.92 -0.60 0.00 0.00 178.31 178.14 3flf h TYR 179 N 0.81 0.65 0.00 -0.55 3.20 -0.18 0.33 116.97 121.23 3flf h TYR 179 Ca 0.12 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 3flf h TYR 179 Cb 0.72 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 3flf h TYR 179 CO 0.05 0.26 -0.42 0.00 -1.64 0.00 0.00 178.16 176.40 3flf h ALA 180 N 1.41 0.89 -5.87 1.82 0.00 -0.75 -3.47 119.26 113.28 3flf h ALA 180 Ca 0.34 -0.38 -0.38 0.00 0.00 0.00 0.00 54.91 54.48 3flf h ALA 180 Cb 0.32 -0.07 0.11 0.00 0.00 0.00 0.00 17.79 18.15 3flf h ALA 180 CO -0.25 0.53 -0.76 -1.71 0.00 0.00 0.00 179.25 177.06 3flf n ASN 181 N -3.44 -3.07 -4.09 0.00 5.15 0.10 -4.98 115.26 104.95 3flf n ASN 181 Ca 0.00 -0.67 -0.33 0.00 -0.60 0.00 0.00 54.58 52.98 3flf n ASN 181 Cb 0.58 -4.71 -0.14 0.00 -0.53 0.00 0.00 39.78 34.98 3flf n ASN 181 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3flf s LYS 182 N -5.86 1.97 -1.37 1.20 3.01 -1.25 -4.79 119.74 112.64 3flf s LYS 182 Ca 0.20 -1.63 -0.02 0.00 -1.01 0.00 0.00 55.97 53.51 3flf s LYS 182 Cb -0.09 -3.25 0.01 0.00 -1.01 0.00 0.00 37.83 33.49 3flf s LYS 182 CO 0.76 -0.84 0.62 0.09 0.51 0.00 0.00 175.35 176.50 3flf n ASN 183 N 4.46 -1.22 -4.78 2.83 3.02 -1.26 -4.92 115.26 113.39 3flf n ASN 183 Ca -0.05 -0.89 -0.34 0.00 -0.03 0.00 0.00 54.58 53.28 3flf n ASN 183 Cb 0.42 -3.64 0.02 0.00 -0.61 0.00 0.00 39.78 35.97 3flf n ASN 183 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3flf s PRO 184 N -6.27 3.16 0.28 3.52 0.04 -1.26 -5.04 135.00 129.43 3flf s PRO 184 Ca 0.08 1.40 -0.06 0.00 0.04 0.00 0.00 61.00 62.46 3flf s PRO 184 Cb -0.04 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.52 3flf s PRO 184 CO 0.84 -0.96 0.48 -0.40 0.04 0.00 0.00 177.00 177.00 3flf n ASP 185 N -1.90 -1.37 -1.85 6.66 5.68 -1.26 -5.02 116.55 117.50 3flf n ASP 185 Ca 0.10 -2.33 -0.14 0.00 -0.50 0.00 0.00 54.79 51.92 3flf n ASP 185 Cb 0.52 2.39 0.21 0.00 -1.14 0.00 0.00 41.12 43.10 3flf n ASP 185 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3flf n TRP 186 N -0.42 2.34 -4.20 2.11 7.02 -1.26 -4.91 117.44 118.12 3flf n TRP 186 Ca -0.03 -1.62 -0.23 0.00 -1.02 0.00 0.00 57.50 54.59 3flf n TRP 186 Cb 0.45 -0.75 -0.06 0.00 -2.42 0.00 0.00 31.31 28.52 3flf n TRP 186 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 3flf s GLU 187 N -3.21 2.58 -0.18 -0.99 0.41 -1.26 -0.62 118.70 115.42 3flf s GLU 187 Ca 0.53 -1.21 -0.02 0.00 -0.41 0.00 0.00 54.97 53.86 3flf s GLU 187 Cb 0.45 -2.37 -0.01 0.00 -1.78 0.00 0.00 34.13 30.43 3flf s GLU 187 CO 0.08 0.40 -0.10 0.42 -0.49 0.00 0.00 175.26 175.57 3flf s ILE 188 N -2.13 3.03 0.00 -1.63 -1.09 -0.19 -4.69 121.20 114.49 3flf s ILE 188 Ca 0.31 -0.63 0.00 0.00 -2.23 0.00 0.00 60.65 58.10 3flf s ILE 188 Cb -0.08 -2.33 0.00 0.00 -1.58 0.00 0.00 42.46 38.48 3flf s ILE 188 CO 0.22 0.48 0.00 0.61 -1.23 0.00 0.00 174.94 175.01 3flf n GLY 189 N 4.35 0.55 0.31 6.18 0.00 -1.26 -1.54 105.19 113.78 3flf n GLY 189 Ca -0.19 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.98 3flf n GLY 189 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3flf h GLU 190 N 1.26 0.00 0.00 1.61 9.09 -1.84 -1.36 114.58 123.34 3flf h GLU 190 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 3flf h GLU 190 Cb 0.04 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.14 3flf h GLU 190 CO 0.00 0.00 -0.00 -0.44 0.05 0.00 0.00 179.01 178.62 3flf h ASP 191 N 0.00 0.00 0.00 3.06 3.32 -1.91 -3.30 116.42 117.59 3flf h ASP 191 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3flf h ASP 191 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3flf h ASP 191 CO -0.00 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.85 3flf n VAL 192 N -3.10 0.00 -3.29 -1.35 0.24 -0.62 -4.90 118.33 105.31 3flf n VAL 192 Ca 0.02 -0.45 -0.38 0.00 -2.04 0.00 0.00 64.34 61.48 3flf n VAL 192 Cb 0.40 1.08 -0.06 0.00 -1.47 0.00 0.00 33.84 33.79 3flf n VAL 192 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3flf s TYR 193 N -0.20 3.67 -0.31 6.34 5.04 -0.61 -1.83 117.35 129.46 3flf s TYR 193 Ca 0.00 1.10 -0.27 0.00 -2.44 0.00 0.00 57.07 55.46 3flf s TYR 193 Cb 0.00 -2.52 0.04 0.00 0.35 0.00 0.00 41.96 39.83 3flf s TYR 193 CO 0.00 0.40 0.46 0.25 -1.34 0.00 0.00 175.55 175.31 3flf n THR 194 N 2.64 -3.03 0.03 4.34 -2.24 0.48 -4.81 114.28 111.69 3flf n THR 194 Ca -0.09 0.16 0.21 0.00 -2.27 0.00 0.00 64.05 62.06 3flf n THR 194 Cb 0.51 -3.02 0.73 0.00 -2.10 0.00 0.00 70.33 66.45 3flf n THR 194 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3flf h PRO 195 N 2.22 0.00 -0.01 -0.78 0.13 -1.83 0.31 132.00 132.05 3flf h PRO 195 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3flf h PRO 195 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3flf h PRO 195 CO 0.16 0.00 -0.03 0.41 -0.23 0.00 0.00 178.00 178.31 3flf n GLY 196 N -1.57 -0.12 2.94 1.56 0.00 -1.26 -4.78 105.19 101.95 3flf n GLY 196 Ca 0.09 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 3flf n GLY 196 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3flf s ILE 197 N -2.06 1.32 0.48 -0.61 1.09 0.10 -5.12 121.20 116.40 3flf s ILE 197 Ca 0.37 -0.73 -0.19 0.00 -1.10 0.00 0.00 60.65 59.00 3flf s ILE 197 Cb 0.21 -1.43 -0.09 0.00 -1.06 0.00 0.00 42.46 40.09 3flf s ILE 197 CO 0.36 0.19 0.97 -0.94 -0.10 0.00 0.00 174.94 175.42 3flf s SER 198 N 1.55 6.74 0.00 3.58 1.04 -1.26 -4.15 113.70 121.20 3flf s SER 198 Ca 0.01 1.65 0.00 0.00 0.48 0.00 0.00 55.95 58.08 3flf s SER 198 Cb -0.15 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.44 3flf s SER 198 CO -0.08 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.24 3flf n GLY 199 N -1.08 0.51 3.91 7.32 0.00 -1.26 -5.03 105.19 109.56 3flf n GLY 199 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 3flf n GLY 199 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3flf s ASP 200 N -2.31 4.77 0.32 1.61 -4.77 -1.26 -5.14 116.67 109.88 3flf s ASP 200 Ca 0.00 -1.08 -0.18 0.00 -3.30 0.00 0.00 52.55 47.98 3flf s ASP 200 Cb 0.00 0.15 0.05 0.00 -1.09 0.00 0.00 42.92 42.03 3flf s ASP 200 CO 0.00 -1.01 0.82 -0.94 0.70 0.00 0.00 175.17 174.73 3flf s SER 201 N -4.28 -0.07 0.03 2.11 1.04 -1.26 -4.59 113.70 106.68 3flf s SER 201 Ca 0.41 -0.91 -0.25 0.00 0.48 0.00 0.00 55.95 55.68 3flf s SER 201 Cb -0.03 0.76 -0.18 0.00 0.10 0.00 0.00 66.02 66.67 3flf s SER 201 CO 0.25 -1.47 1.49 -0.07 0.98 0.00 0.00 173.24 174.42 3flf h LEU 202 N 2.00 -0.01 -7.81 2.42 4.07 -1.56 -3.47 115.31 110.96 3flf h LEU 202 Ca -0.28 -0.25 -0.10 0.00 0.08 0.00 0.00 57.88 57.33 3flf h LEU 202 Cb 1.24 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 42.83 3flf h LEU 202 CO 0.35 0.25 -0.40 -0.13 -1.08 0.00 0.00 178.44 177.43 3flf s ARG 203 N -5.18 0.78 -0.10 1.13 0.52 -1.23 -4.93 118.95 109.93 3flf s ARG 203 Ca -0.15 -0.86 0.03 0.00 -0.52 0.00 0.00 55.73 54.23 3flf s ARG 203 Cb 0.04 0.31 0.01 0.00 0.52 0.00 0.00 34.95 35.83 3flf s ARG 203 CO 0.67 -0.23 -0.18 0.45 0.02 0.00 0.00 175.30 176.03 3flf s SER 204 N -2.59 2.52 0.18 0.23 0.15 -1.26 -1.02 113.70 111.91 3flf s SER 204 Ca 0.01 -0.45 0.09 0.00 0.70 0.00 0.00 55.95 56.31 3flf s SER 204 Cb 0.03 -1.15 -0.06 0.00 -1.71 0.00 0.00 66.02 63.13 3flf s SER 204 CO -0.08 0.07 1.37 0.24 1.20 0.00 0.00 173.24 176.03 3flf h MET 205 N 7.09 0.00 0.00 5.44 0.00 -1.21 -2.39 114.93 123.86 3flf h MET 205 Ca -0.28 0.00 -0.18 0.00 0.00 0.00 0.00 59.70 59.25 3flf h MET 205 Cb 1.20 0.00 -0.03 0.00 0.00 0.00 0.00 31.60 32.77 3flf h MET 205 CO 0.49 0.84 -0.99 0.66 0.00 0.00 0.00 176.91 177.91 3flf h SER 206 N 0.00 0.00 -1.33 1.22 4.64 -1.88 -3.21 113.55 112.99 3flf h SER 206 Ca -0.01 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 3flf h SER 206 Cb 1.59 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.41 3flf h SER 206 CO 0.11 0.75 -0.76 -0.67 -0.87 0.00 0.00 176.83 175.39 3flf n ASP 207 N -3.19 -1.71 -0.13 4.97 2.03 -1.25 -5.00 116.55 112.27 3flf n ASP 207 Ca -0.03 -2.82 0.27 0.00 0.52 0.00 0.00 54.79 52.73 3flf n ASP 207 Cb 0.86 0.62 0.72 0.00 -0.72 0.00 0.00 41.12 42.61 3flf n ASP 207 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3flf h PRO 208 N 4.67 0.00 0.00 -0.67 0.11 -1.64 -0.51 132.00 133.96 3flf h PRO 208 Ca 0.06 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 3flf h PRO 208 Cb 0.98 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 3flf h PRO 208 CO 0.29 0.00 -0.10 0.00 -0.21 0.00 0.00 178.00 177.98 3flf h ALA 209 N 1.46 1.61 -0.98 -0.75 0.00 -1.78 -1.62 119.26 117.21 3flf h ALA 209 Ca 0.39 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 55.41 3flf h ALA 209 Cb 1.68 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.36 3flf h ALA 209 CO -0.00 0.12 0.62 -0.22 0.00 0.00 0.00 179.25 179.76 3flf h LYS 210 N 0.00 0.60 -0.67 0.00 3.64 -1.38 -0.74 116.57 118.01 3flf h LYS 210 Ca -0.00 -0.04 -0.47 0.00 -1.27 0.00 0.00 60.65 58.88 3flf h LYS 210 Cb 0.20 -0.14 -0.31 0.00 -0.41 0.00 0.00 32.23 31.57 3flf h LYS 210 CO 0.01 0.40 -0.33 0.66 -2.27 0.00 0.00 179.45 177.92 3flf n TYR 211 N -4.67 2.34 -1.23 1.91 4.01 -0.91 -4.96 117.16 113.64 3flf n TYR 211 Ca 0.22 -2.21 -0.08 0.00 -0.16 0.00 0.00 57.90 55.67 3flf n TYR 211 Cb 0.65 -0.58 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 3flf n TYR 211 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3flf n GLY 212 N -0.86 1.00 3.86 2.72 0.00 -0.29 -5.03 105.19 106.60 3flf n GLY 212 Ca 0.44 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 3flf n GLY 212 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3flf s ASP 213 N -2.86 6.07 0.50 1.61 1.01 -0.66 -4.96 116.67 117.38 3flf s ASP 213 Ca 0.00 0.21 -0.21 0.00 0.71 0.00 0.00 52.55 53.26 3flf s ASP 213 Cb 0.00 -1.81 -0.06 0.00 1.01 0.00 0.00 42.92 42.05 3flf s ASP 213 CO 0.00 0.22 1.16 -2.16 0.21 0.00 0.00 175.17 174.60 3flf s PRO 214 N -2.18 3.53 -0.04 8.23 0.04 -1.25 -2.43 135.00 140.89 3flf s PRO 214 Ca 0.29 1.73 0.06 0.00 0.04 0.00 0.00 61.00 63.12 3flf s PRO 214 Cb -0.13 -2.21 0.09 0.00 0.04 0.00 0.00 34.50 32.29 3flf s PRO 214 CO 0.21 -0.73 0.98 -0.40 0.04 0.00 0.00 177.00 177.10 3flf n ASP 215 N -0.90 1.67 -3.71 6.66 5.68 -1.26 -2.82 116.55 121.87 3flf n ASP 215 Ca 0.10 -2.20 -0.14 0.00 -0.50 0.00 0.00 54.79 52.04 3flf n ASP 215 Cb 0.49 -0.15 -0.08 0.00 -1.14 0.00 0.00 41.12 40.24 3flf n ASP 215 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 3flf s HIS 216 N -1.36 -0.35 0.43 2.11 5.04 -1.26 -4.69 115.29 115.22 3flf s HIS 216 Ca 0.10 0.66 0.13 0.00 -1.54 0.00 0.00 55.06 54.42 3flf s HIS 216 Cb 0.09 0.17 0.95 0.00 0.04 0.00 0.00 32.58 33.83 3flf s HIS 216 CO 0.01 -0.39 1.98 -0.92 -2.34 0.00 0.00 174.74 173.07 3flf h TYR 217 N 4.11 0.06 0.00 3.88 3.20 -1.07 -1.73 116.97 125.41 3flf h TYR 217 Ca -0.28 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.58 3flf h TYR 217 Cb 1.17 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.42 3flf h TYR 217 CO 0.47 0.22 0.00 -1.13 -1.64 0.00 0.00 178.16 176.08 3flf n SER 218 N -4.31 0.00 -0.84 -2.11 3.41 -1.26 -1.85 113.62 106.66 3flf n SER 218 Ca -0.02 0.29 0.07 0.00 -0.26 0.00 0.00 58.87 58.95 3flf n SER 218 Cb 0.25 -0.40 0.21 0.00 -0.26 0.00 0.00 64.21 64.02 3flf n SER 218 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3flf n LYS 219 N -1.40 2.99 -2.04 4.33 5.02 -0.65 -5.04 118.16 121.37 3flf n LYS 219 Ca 0.05 -2.43 -0.40 0.00 -2.02 0.00 0.00 58.31 53.52 3flf n LYS 219 Cb 0.15 -1.54 -0.01 0.00 -0.02 0.00 0.00 35.03 33.61 3flf n LYS 219 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3flf s ARG 220 N -1.74 4.02 0.07 1.97 1.70 -0.77 -4.66 118.95 119.54 3flf s ARG 220 Ca 0.33 2.19 -0.27 0.00 -0.47 0.00 0.00 55.73 57.51 3flf s ARG 220 Cb 0.22 -2.81 -0.05 0.00 -0.57 0.00 0.00 34.95 31.74 3flf s ARG 220 CO 0.14 -0.46 0.85 -0.47 -1.08 0.00 0.00 175.30 174.28 3flf s TYR 221 N -1.24 3.76 -0.04 5.89 5.04 -1.26 -4.96 117.35 124.54 3flf s TYR 221 Ca 0.56 1.61 0.07 0.00 -2.44 0.00 0.00 57.07 56.86 3flf s TYR 221 Cb -0.39 -2.93 0.10 0.00 0.35 0.00 0.00 41.96 39.09 3flf s TYR 221 CO 0.50 0.23 0.99 0.25 -1.34 0.00 0.00 175.55 176.18 3flf n THR 222 N 2.86 0.76 -0.62 4.34 -2.24 -1.26 -4.78 114.28 113.34 3flf n THR 222 Ca -0.00 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 3flf n THR 222 Cb 0.50 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 3flf n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3flf n GLY 223 N -0.55 -1.74 0.00 3.38 0.00 -1.26 -5.02 105.19 100.01 3flf n GLY 223 Ca 0.05 -1.55 0.08 0.00 0.00 0.00 0.00 46.02 44.60 3flf n GLY 223 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3flf n THR 224 N -1.91 0.00 -1.31 2.61 -2.24 -1.26 -4.21 114.28 105.96 3flf n THR 224 Ca 0.00 -0.12 -0.32 0.00 -2.27 0.00 0.00 64.05 61.33 3flf n THR 224 Cb 0.00 0.96 0.10 0.00 -2.10 0.00 0.00 70.33 69.28 3flf n THR 224 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3flf s GLN 225 N -2.59 2.11 -1.50 -0.78 -1.52 -1.26 -2.84 119.66 111.28 3flf s GLN 225 Ca 0.06 1.44 -0.09 0.00 -1.95 0.00 0.00 55.36 54.82 3flf s GLN 225 Cb 0.12 -1.86 0.06 0.00 -0.22 0.00 0.00 33.01 31.12 3flf s GLN 225 CO 0.68 -1.80 0.73 -3.47 -0.25 0.00 0.00 175.29 171.19 3flf n ASP 226 N -3.20 -2.54 -3.48 5.90 2.03 -1.26 -0.07 116.55 113.93 3flf n ASP 226 Ca 0.11 -0.90 -0.25 0.00 0.52 0.00 0.00 54.79 54.27 3flf n ASP 226 Cb 0.52 -3.43 0.04 0.00 -0.72 0.00 0.00 41.12 37.52 3flf n ASP 226 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3flf n ASN 227 N -2.88 -5.47 0.00 1.67 4.13 -1.23 -0.31 115.26 111.17 3flf n ASN 227 Ca -0.11 -0.51 0.00 0.00 1.68 0.00 0.00 54.58 55.64 3flf n ASN 227 Cb 0.59 -4.38 0.00 0.00 -1.54 0.00 0.00 39.78 34.45 3flf n ASN 227 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3flf n GLY 228 N -1.65 0.75 2.29 7.41 0.00 0.69 -1.16 105.19 113.52 3flf n GLY 228 Ca -0.02 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 3flf n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3flf n GLY 229 N -1.01 0.33 0.20 -0.02 0.00 0.89 -4.24 105.19 101.34 3flf n GLY 229 Ca 0.00 -0.30 0.06 0.00 0.00 0.00 0.00 46.02 45.78 3flf n GLY 229 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3flf h VAL 230 N -1.04 0.92 -0.02 1.61 -1.51 -0.85 0.24 116.25 115.61 3flf h VAL 230 Ca -0.23 -1.30 0.00 0.00 -1.23 0.00 0.00 66.70 63.95 3flf h VAL 230 Cb 1.15 1.77 0.00 0.00 -2.13 0.00 0.00 31.29 32.07 3flf h VAL 230 CO 0.22 0.33 -0.00 1.41 -1.23 0.00 0.00 177.57 178.29 3flf n HIS 231 N -3.69 0.00 -0.07 5.19 8.25 -1.26 -3.21 115.22 120.43 3flf n HIS 231 Ca -0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.35 3flf n HIS 231 Cb 0.44 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.51 3flf n HIS 231 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3flf n ILE 232 N 0.20 1.42 0.30 1.59 5.41 -0.23 -4.54 119.36 123.51 3flf n ILE 232 Ca 0.19 0.12 0.13 0.00 1.00 0.00 0.00 62.75 64.19 3flf n ILE 232 Cb 0.36 -2.14 0.60 0.00 -0.71 0.00 0.00 39.64 37.75 3flf n ILE 232 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 3flf h ASN 233 N -0.80 0.00 0.03 4.38 2.35 -0.80 -2.13 115.58 118.60 3flf h ASN 233 Ca -0.08 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3flf h ASN 233 Cb 0.90 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.27 3flf h ASN 233 CO -0.05 0.00 -0.01 0.77 -1.65 0.00 0.00 177.43 176.50 3flf h SER 234 N 0.00 0.00 0.06 5.81 4.64 -1.72 -1.65 113.55 120.69 3flf h SER 234 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3flf h SER 234 Cb 0.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3flf h SER 234 CO 0.00 0.01 -0.05 1.23 -0.87 0.00 0.00 176.83 177.15 3flf h GLY 235 N 0.06 0.00 0.92 -0.77 0.00 -1.57 0.61 103.07 102.33 3flf h GLY 235 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 3flf h GLY 235 CO 0.00 0.00 -0.22 -2.22 0.00 0.00 0.00 176.54 174.10 3flf h ILE 236 N 0.00 1.31 -0.08 2.60 2.04 -1.13 -1.71 117.51 120.53 3flf h ILE 236 Ca -0.00 -1.37 -0.21 0.00 1.00 0.00 0.00 64.86 64.28 3flf h ILE 236 Cb 0.09 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 3flf h ILE 236 CO 0.01 0.43 -0.80 0.40 0.00 0.00 0.00 178.15 178.19 3flf h ILE 237 N 0.35 1.35 -0.49 -0.67 1.08 -1.58 -2.71 117.51 114.85 3flf h ILE 237 Ca 0.05 -2.15 0.07 0.00 -0.39 0.00 0.00 64.86 62.43 3flf h ILE 237 Cb 0.78 2.14 -0.06 0.00 -3.07 0.00 0.00 36.82 36.61 3flf h ILE 237 CO 0.06 0.66 0.18 0.78 -0.69 0.00 0.00 178.15 179.13 3flf h ASN 238 N 0.35 0.19 -0.22 1.72 2.35 -0.84 0.74 115.58 119.87 3flf h ASN 238 Ca -0.05 0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 3flf h ASN 238 Cb 1.40 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.80 3flf h ASN 238 CO 0.15 0.14 0.12 0.50 -1.65 0.00 0.00 177.43 176.68 3flf h LYS 239 N 0.36 0.24 -0.83 0.81 1.63 -1.31 0.43 116.57 117.89 3flf h LYS 239 Ca 0.23 -0.01 0.06 0.00 -0.85 0.00 0.00 60.65 60.07 3flf h LYS 239 Cb 0.24 -0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 31.76 3flf h LYS 239 CO -0.24 0.16 0.52 0.00 -3.45 0.00 0.00 179.45 176.44 3flf h ALA 240 N 1.10 1.13 -0.25 5.00 0.00 -1.11 0.18 119.26 125.32 3flf h ALA 240 Ca 0.08 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3flf h ALA 240 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3flf h ALA 240 CO -0.04 0.27 -0.03 0.00 0.00 0.00 0.00 179.25 179.44 3flf h ALA 241 N 1.39 0.34 -0.97 0.00 0.00 -0.07 -1.41 119.26 118.54 3flf h ALA 241 Ca 0.36 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3flf h ALA 241 Cb 0.14 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3flf h ALA 241 CO -0.16 0.11 0.63 -0.92 0.00 0.00 0.00 179.25 178.90 3flf h TYR 242 N 0.22 1.17 -0.09 0.00 3.20 0.38 -2.56 116.97 119.29 3flf h TYR 242 Ca 0.07 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 3flf h TYR 242 Cb 0.48 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 3flf h TYR 242 CO 0.04 0.65 0.01 -0.07 -1.64 0.00 0.00 178.16 177.15 3flf h LEU 243 N 1.18 0.14 -0.83 2.82 3.38 -0.35 0.21 115.31 121.86 3flf h LEU 243 Ca 0.40 -0.28 0.18 0.00 0.09 0.00 0.00 57.88 58.27 3flf h LEU 243 Cb 0.06 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.67 3flf h LEU 243 CO -0.14 0.38 0.35 0.40 0.09 0.00 0.00 178.44 179.52 3flf h ILE 244 N -0.11 0.57 0.02 1.22 2.04 -1.08 0.71 117.51 120.87 3flf h ILE 244 Ca 0.03 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 3flf h ILE 244 Cb 0.31 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3flf h ILE 244 CO 0.00 0.08 -0.01 -1.28 0.00 0.00 0.00 178.15 176.95 3flf h SER 245 N 0.44 -0.02 0.00 1.72 0.87 -1.27 0.36 113.55 115.65 3flf h SER 245 Ca 0.49 -0.77 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 3flf h SER 245 Cb 0.83 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 3flf h SER 245 CO -0.46 0.81 -1.03 0.00 -0.53 0.00 0.00 176.83 175.62 3flf n GLN 246 N -4.69 0.57 -0.54 2.24 1.13 0.73 -0.98 117.38 115.83 3flf n GLN 246 Ca -0.09 -0.02 0.07 0.00 -1.94 0.00 0.00 57.00 55.03 3flf n GLN 246 Cb 0.38 -1.43 -0.02 0.00 0.11 0.00 0.00 30.24 29.28 3flf n GLN 246 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3flf n GLY 247 N 1.45 -1.59 0.00 1.08 0.00 0.24 -4.49 105.19 101.89 3flf n GLY 247 Ca 0.03 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.66 3flf n GLY 247 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3flf n GLY 248 N -2.33 2.03 3.15 -0.02 0.00 -0.30 -4.72 105.19 103.00 3flf n GLY 248 Ca 0.00 -1.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.12 3flf n GLY 248 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3flf s THR 249 N -1.80 2.42 -0.15 2.61 2.01 -1.26 0.76 115.64 120.23 3flf s THR 249 Ca 0.00 -1.06 0.01 0.00 0.31 0.00 0.00 61.69 60.94 3flf s THR 249 Cb 0.00 -2.17 0.02 0.00 0.01 0.00 0.00 72.50 70.36 3flf s THR 249 CO 0.00 0.32 -0.16 -2.28 -0.69 0.00 0.00 174.62 171.81 3flf s HIS 250 N 1.28 2.32 -1.50 4.92 5.04 0.10 -4.61 115.29 122.84 3flf s HIS 250 Ca 0.01 -1.30 -0.05 0.00 -1.54 0.00 0.00 55.06 52.18 3flf s HIS 250 Cb -0.15 -1.67 0.04 0.00 0.04 0.00 0.00 32.58 30.84 3flf s HIS 250 CO -0.08 -0.68 0.50 0.66 -2.34 0.00 0.00 174.74 172.79 3flf n TYR 251 N 4.65 -1.66 -0.70 3.88 4.01 -1.26 -0.51 117.16 125.57 3flf n TYR 251 Ca -0.18 0.76 0.00 0.00 -0.16 0.00 0.00 57.90 58.31 3flf n TYR 251 Cb 0.50 -3.49 0.00 0.00 -0.31 0.00 0.00 39.34 36.05 3flf n TYR 251 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3flf n GLY 252 N -1.87 1.12 3.65 2.72 0.00 -1.26 -4.99 105.19 104.56 3flf n GLY 252 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 3flf n GLY 252 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3flf s VAL 253 N -3.17 5.23 -0.08 1.61 1.01 0.34 -5.06 120.40 120.27 3flf s VAL 253 Ca 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 61.98 61.99 3flf s VAL 253 Cb 0.00 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 3flf s VAL 253 CO 0.00 0.37 0.30 -0.44 0.00 0.00 0.00 175.10 175.34 3flf s SER 254 N 0.91 6.58 -0.11 3.32 0.01 -1.26 -0.72 113.70 122.43 3flf s SER 254 Ca 0.07 0.69 0.02 0.00 1.31 0.00 0.00 55.95 58.04 3flf s SER 254 Cb -0.13 -2.18 0.01 0.00 0.21 0.00 0.00 66.02 63.93 3flf s SER 254 CO 0.03 0.27 -0.17 -0.69 0.41 0.00 0.00 173.24 173.08 3flf s VAL 255 N -0.53 1.63 -0.43 3.43 1.01 0.23 -4.89 120.40 120.86 3flf s VAL 255 Ca 0.19 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 61.15 3flf s VAL 255 Cb -0.14 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.80 3flf s VAL 255 CO 0.08 0.47 1.13 -0.69 0.00 0.00 0.00 175.10 176.09 3flf s VAL 256 N 0.80 4.28 0.50 2.92 1.01 -1.26 -1.15 120.40 127.50 3flf s VAL 256 Ca -0.10 1.37 -0.23 0.00 0.00 0.00 0.00 61.98 63.02 3flf s VAL 256 Cb -0.16 -4.53 -0.06 0.00 0.00 0.00 0.00 36.38 31.63 3flf s VAL 256 CO 0.01 -0.84 1.27 -0.83 0.00 0.00 0.00 175.10 174.71 3flf s GLY 257 N 2.28 2.84 0.00 4.51 0.00 -1.26 -4.72 107.32 110.97 3flf s GLY 257 Ca 0.48 1.15 0.01 0.00 0.00 0.00 0.00 44.72 46.36 3flf s GLY 257 CO 0.27 1.65 0.55 0.29 0.00 0.00 0.00 173.10 175.85 3flf n ILE 258 N -0.71 0.06 0.00 0.90 -5.35 0.13 -4.83 119.36 109.56 3flf n ILE 258 Ca 0.09 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 3flf n ILE 258 Cb 0.46 0.98 0.00 0.00 -1.74 0.00 0.00 39.64 39.34 3flf n ILE 258 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3flf n GLY 259 N 0.00 1.60 0.33 3.28 0.00 -0.16 -4.53 105.19 105.72 3flf n GLY 259 Ca 0.00 -1.72 -0.04 0.00 0.00 0.00 0.00 46.02 44.27 3flf n GLY 259 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3flf h ARG 260 N 0.00 1.15 -0.14 1.61 3.08 -1.93 -1.39 114.38 116.75 3flf h ARG 260 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3flf h ARG 260 Cb 0.00 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 3flf h ARG 260 CO 0.00 0.78 0.09 -0.44 -1.07 0.00 0.00 179.97 179.33 3flf h ASP 261 N 1.17 0.16 -0.55 7.04 5.19 -1.99 0.30 116.42 127.75 3flf h ASP 261 Ca 0.31 -0.02 -0.10 0.00 -0.62 0.00 0.00 57.03 56.60 3flf h ASP 261 Cb -0.10 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.35 3flf h ASP 261 CO -0.06 0.13 -0.06 0.11 -3.12 0.00 0.00 179.24 176.24 3flf h LYS 262 N 0.17 1.03 -0.38 3.56 1.57 -1.76 -1.15 116.57 119.61 3flf h LYS 262 Ca 0.05 -0.35 0.06 0.00 -1.87 0.00 0.00 60.65 58.54 3flf h LYS 262 Cb -0.00 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.17 3flf h LYS 262 CO -0.01 1.04 0.07 1.25 -0.57 0.00 0.00 179.45 181.23 3flf h LEU 263 N 0.92 -0.00 -1.02 2.94 5.85 -0.60 0.42 115.31 123.82 3flf h LEU 263 Ca 0.15 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 3flf h LEU 263 Cb 0.61 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 3flf h LEU 263 CO 0.04 0.03 0.29 1.23 -0.34 0.00 0.00 178.44 179.69 3flf h GLY 264 N 0.19 1.06 0.99 3.75 0.00 -0.12 -0.53 103.07 108.41 3flf h GLY 264 Ca 0.18 -0.54 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 3flf h GLY 264 CO -0.25 0.51 -0.05 0.50 0.00 0.00 0.00 176.54 177.25 3flf h LYS 265 N 0.97 0.81 -0.44 4.80 1.79 -0.66 0.12 116.57 123.96 3flf h LYS 265 Ca 0.23 -0.29 -0.14 0.00 -2.18 0.00 0.00 60.65 58.28 3flf h LYS 265 Cb 0.16 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 3flf h LYS 265 CO -0.02 0.90 -0.25 0.82 -1.08 0.00 0.00 179.45 179.81 3flf h ILE 266 N 0.65 1.27 0.00 1.86 2.04 -0.72 -1.83 117.51 120.77 3flf h ILE 266 Ca 0.12 -1.42 -0.16 0.00 1.00 0.00 0.00 64.86 64.39 3flf h ILE 266 Cb 0.57 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 3flf h ILE 266 CO 0.03 0.48 -0.79 -0.26 0.00 0.00 0.00 178.15 177.62 3flf h PHE 267 N 0.78 0.00 -0.30 1.37 -1.00 -1.01 -0.91 116.94 115.88 3flf h PHE 267 Ca 0.09 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.86 3flf h PHE 267 Cb 0.84 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.38 3flf h PHE 267 CO 0.06 0.79 0.14 -0.92 -1.61 0.00 0.00 178.31 176.76 3flf h TYR 268 N 0.00 0.43 -0.65 -0.55 3.20 -0.68 -0.60 116.97 118.12 3flf h TYR 268 Ca -0.01 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 3flf h TYR 268 Cb 1.49 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 39.60 3flf h TYR 268 CO 0.00 0.39 0.30 -0.09 -1.64 0.00 0.00 178.16 177.12 3flf h ARG 269 N 0.34 0.95 -0.71 1.82 2.43 -1.24 -1.53 114.38 116.44 3flf h ARG 269 Ca 0.10 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3flf h ARG 269 Cb 0.13 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 3flf h ARG 269 CO -0.01 0.77 0.41 0.00 -1.51 0.00 0.00 179.97 179.63 3flf h ALA 270 N 1.13 0.91 -0.68 2.80 0.00 -0.93 -0.78 119.26 121.71 3flf h ALA 270 Ca 0.22 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3flf h ALA 270 Cb 0.15 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3flf h ALA 270 CO -0.02 0.41 0.15 1.25 0.00 0.00 0.00 179.25 181.03 3flf h LEU 271 N 0.98 1.06 0.00 0.00 5.85 -0.81 0.20 115.31 122.59 3flf h LEU 271 Ca 0.25 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3flf h LEU 271 Cb 0.01 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.76 3flf h LEU 271 CO -0.04 1.03 -1.08 0.35 -0.34 0.00 0.00 178.44 178.35 3flf n THR 272 N -4.24 0.02 0.00 1.05 -2.24 -0.60 -3.20 114.28 105.06 3flf n THR 272 Ca 0.05 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3flf n THR 272 Cb 0.27 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 3flf n THR 272 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3flf n GLN 273 N -1.64 1.94 0.00 -0.78 6.02 -0.31 -4.92 117.38 117.69 3flf n GLN 273 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3flf n GLN 273 Cb 0.37 -0.82 0.00 0.00 1.02 0.00 0.00 30.24 30.82 3flf n GLN 273 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3flf n TYR 274 N -1.10 0.00 -2.07 1.08 4.01 -0.63 -5.04 117.16 113.40 3flf n TYR 274 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 3flf n TYR 274 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.05 3flf n TYR 274 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3flf s LEU 275 N -3.51 3.62 0.34 7.72 1.43 0.61 -5.00 118.68 123.89 3flf s LEU 275 Ca 0.00 2.15 0.05 0.00 -1.03 0.00 0.00 54.13 55.30 3flf s LEU 275 Cb 0.00 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 41.58 3flf s LEU 275 CO 0.00 -1.40 0.02 0.42 0.23 0.00 0.00 176.35 175.62 3flf s THR 276 N -1.92 1.49 0.54 5.49 -4.23 -1.26 -4.57 115.64 111.17 3flf s THR 276 Ca 0.72 -2.03 0.27 0.00 -1.18 0.00 0.00 61.69 59.46 3flf s THR 276 Cb -0.24 -2.77 0.41 0.00 1.34 0.00 0.00 72.50 71.25 3flf s THR 276 CO 0.32 -0.07 1.97 -0.65 -0.54 0.00 0.00 174.62 175.66 3flf h PRO 277 N 2.07 0.00 -0.50 3.99 0.11 -1.40 -2.70 132.00 133.56 3flf h PRO 277 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3flf h PRO 277 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3flf h PRO 277 CO 0.72 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.76 3flf n THR 278 N -4.29 0.96 -1.67 -1.15 -2.24 -1.26 -1.54 114.28 103.08 3flf n THR 278 Ca 0.11 -0.98 -0.42 0.00 -2.27 0.00 0.00 64.05 60.49 3flf n THR 278 Cb 0.66 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 3flf n THR 278 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3flf n SER 279 N 1.01 2.21 -4.38 3.42 7.64 -1.02 -4.77 113.62 117.73 3flf n SER 279 Ca 0.17 1.13 -0.20 0.00 1.01 0.00 0.00 58.87 60.98 3flf n SER 279 Cb 0.51 -1.44 0.02 0.00 -1.01 0.00 0.00 64.21 62.28 3flf n SER 279 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3flf n ASN 280 N 0.53 2.26 -0.19 6.43 0.23 -1.26 -3.25 115.26 120.01 3flf n ASN 280 Ca 0.07 -2.49 -0.07 0.00 -0.53 0.00 0.00 54.58 51.56 3flf n ASN 280 Cb 0.38 -0.12 0.03 0.00 -2.08 0.00 0.00 39.78 37.98 3flf n ASN 280 CO 0.00 0.00 0.00 -0.26 -0.93 0.00 0.00 177.26 176.07 3flf h PHE 281 N 0.48 0.73 -0.87 -2.53 -1.00 -1.95 0.36 116.94 112.16 3flf h PHE 281 Ca -0.27 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.49 3flf h PHE 281 Cb 1.05 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 40.33 3flf h PHE 281 CO 0.00 0.50 0.48 1.03 -1.61 0.00 0.00 178.31 178.72 3flf h SER 282 N 0.75 1.09 0.45 2.17 0.87 -1.94 0.11 113.55 117.04 3flf h SER 282 Ca 0.20 -0.10 -0.10 0.00 -1.23 0.00 0.00 61.79 60.56 3flf h SER 282 Cb -0.01 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.66 3flf h SER 282 CO -0.04 0.87 -0.47 1.56 -0.53 0.00 0.00 176.83 178.23 3flf h GLN 283 N 1.22 0.03 -0.44 2.24 4.20 -1.61 -2.64 115.11 118.11 3flf h GLN 283 Ca 0.31 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.90 3flf h GLN 283 Cb 0.02 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3flf h GLN 283 CO -0.05 0.49 -0.13 1.25 -0.67 0.00 0.00 178.83 179.72 3flf h LEU 284 N 0.02 0.80 -0.56 1.46 5.85 0.87 -1.53 115.31 122.22 3flf h LEU 284 Ca -0.00 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.47 3flf h LEU 284 Cb 0.84 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 3flf h LEU 284 CO 0.06 0.94 0.37 -0.09 -0.34 0.00 0.00 178.44 179.39 3flf h ARG 285 N 0.72 0.74 -0.58 1.25 2.43 -0.49 -0.36 114.38 118.09 3flf h ARG 285 Ca 0.12 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 3flf h ARG 285 Cb 0.62 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 3flf h ARG 285 CO 0.04 0.49 0.16 0.00 -1.51 0.00 0.00 179.97 179.15 3flf h ALA 286 N 1.21 0.76 -0.90 2.80 0.00 -1.31 0.05 119.26 121.88 3flf h ALA 286 Ca 0.21 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3flf h ALA 286 Cb -0.09 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.42 3flf h ALA 286 CO -0.05 0.45 0.57 0.00 0.00 0.00 0.00 179.25 180.23 3flf h ALA 287 N 1.04 1.22 -0.20 0.00 0.00 -0.94 0.14 119.26 120.51 3flf h ALA 287 Ca 0.18 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 3flf h ALA 287 Cb 0.32 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3flf h ALA 287 CO -0.00 0.37 -0.63 0.00 0.00 0.00 0.00 179.25 178.99 3flf h ALA 288 N 1.40 0.50 -0.37 0.00 0.00 -0.51 -0.73 119.26 119.55 3flf h ALA 288 Ca 0.38 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3flf h ALA 288 Cb 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3flf h ALA 288 CO -0.15 0.69 0.12 0.28 0.00 0.00 0.00 179.25 180.20 3flf h VAL 289 N 0.53 1.21 -0.02 0.00 2.07 -0.73 -1.00 116.25 118.31 3flf h VAL 289 Ca -0.01 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 3flf h VAL 289 Cb 1.23 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3flf h VAL 289 CO 0.13 0.23 -0.24 -0.61 0.02 0.00 0.00 177.57 177.10 3flf h GLN 290 N 0.45 0.03 -0.04 1.57 5.75 -0.62 -1.21 115.11 121.04 3flf h GLN 290 Ca 0.12 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.55 3flf h GLN 290 Cb 0.24 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.79 3flf h GLN 290 CO -0.01 0.28 -0.21 0.77 -2.65 0.00 0.00 178.83 177.01 3flf h SER 291 N 0.03 0.25 -0.91 -0.69 0.02 -0.72 -1.55 113.55 109.98 3flf h SER 291 Ca 0.00 -0.67 0.04 0.00 -0.84 0.00 0.00 61.79 60.32 3flf h SER 291 Cb 0.45 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.86 3flf h SER 291 CO 0.03 0.88 0.59 0.00 -1.14 0.00 0.00 176.83 177.19 3flf h ALA 292 N 0.38 1.21 -0.08 3.77 0.00 -1.14 -1.31 119.26 122.07 3flf h ALA 292 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3flf h ALA 292 Cb 0.87 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3flf h ALA 292 CO 0.04 0.44 0.05 1.15 0.00 0.00 0.00 179.25 180.94 3flf h THR 293 N 1.14 1.01 -0.60 0.00 2.02 -1.17 0.43 112.91 115.74 3flf h THR 293 Ca 0.36 -0.04 0.10 0.00 0.77 0.00 0.00 66.41 67.61 3flf h THR 293 Cb 0.02 0.90 -0.08 0.00 -1.74 0.00 0.00 68.15 67.25 3flf h THR 293 CO -0.12 0.02 0.19 0.44 0.37 0.00 0.00 175.52 176.42 3flf h ASP 294 N 0.11 0.15 0.74 4.18 3.32 -0.93 0.21 116.42 124.19 3flf h ASP 294 Ca 0.03 0.09 -0.25 0.00 0.02 0.00 0.00 57.03 56.92 3flf h ASP 294 Cb -0.01 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 3flf h ASP 294 CO -0.01 0.09 -1.35 -0.07 -1.72 0.00 0.00 179.24 176.18 3flf h LEU 295 N 0.35 0.02 -0.50 1.55 3.38 -0.80 -3.40 115.31 115.91 3flf h LEU 295 Ca 0.31 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3flf h LEU 295 Cb 0.41 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3flf h LEU 295 CO -0.34 1.03 0.00 -1.22 0.09 0.00 0.00 178.44 178.00 3flf n TYR 296 N -3.22 0.00 0.00 1.13 4.01 0.15 -5.09 117.16 114.14 3flf n TYR 296 Ca -0.09 -0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 3flf n TYR 296 Cb 1.00 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.03 3flf n TYR 296 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3flf n GLY 297 N -0.00 -0.52 0.33 2.72 0.00 0.74 -4.26 105.19 104.19 3flf n GLY 297 Ca 0.00 -1.37 0.21 0.00 0.00 0.00 0.00 46.02 44.85 3flf n GLY 297 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3flf h SER 298 N 0.00 0.00 -0.46 1.61 4.64 -1.89 -0.37 113.55 117.08 3flf h SER 298 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3flf h SER 298 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3flf h SER 298 CO 0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 3flf n THR 299 N -3.21 0.65 -1.13 2.95 -2.24 -1.26 -4.86 114.28 105.18 3flf n THR 299 Ca -0.03 -0.83 -0.31 0.00 -2.27 0.00 0.00 64.05 60.62 3flf n THR 299 Cb 0.13 0.83 0.11 0.00 -2.10 0.00 0.00 70.33 69.30 3flf n THR 299 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3flf s SER 300 N -1.28 4.11 0.38 3.42 1.04 -0.15 -4.92 113.70 116.29 3flf s SER 300 Ca 0.39 1.89 0.06 0.00 0.48 0.00 0.00 55.95 58.76 3flf s SER 300 Cb 0.22 -2.52 0.77 0.00 0.10 0.00 0.00 66.02 64.59 3flf s SER 300 CO 0.30 -2.30 2.02 -0.61 0.98 0.00 0.00 173.24 173.63 3flf h GLN 301 N -1.31 0.67 0.09 4.02 5.75 -1.91 -2.84 115.11 119.59 3flf h GLN 301 Ca -0.44 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.03 3flf h GLN 301 Cb 1.24 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.62 3flf h GLN 301 CO 0.49 0.44 -0.13 0.93 -2.65 0.00 0.00 178.83 177.92 3flf h GLU 302 N 0.69 -0.26 -0.84 1.69 3.07 -1.91 0.65 114.58 117.67 3flf h GLU 302 Ca 0.22 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.06 3flf h GLU 302 Cb 0.02 0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 27.95 3flf h GLU 302 CO -0.05 -0.17 0.37 0.28 -1.40 0.00 0.00 179.01 178.04 3flf h VAL 303 N -0.27 1.26 -0.76 3.13 2.07 -1.81 -0.70 116.25 119.18 3flf h VAL 303 Ca 0.02 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 3flf h VAL 303 Cb 0.28 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 3flf h VAL 303 CO -0.06 0.33 0.35 0.00 0.02 0.00 0.00 177.57 178.20 3flf h ALA 304 N 1.20 0.98 -0.29 1.67 0.00 -1.14 -0.83 119.26 120.85 3flf h ALA 304 Ca 0.28 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3flf h ALA 304 Cb 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3flf h ALA 304 CO -0.03 0.57 -0.45 0.77 0.00 0.00 0.00 179.25 180.11 3flf h SER 305 N 1.08 0.82 -0.74 0.00 0.02 0.68 -1.03 113.55 114.38 3flf h SER 305 Ca 0.26 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3flf h SER 305 Cb 0.15 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 3flf h SER 305 CO -0.03 1.14 0.47 0.58 -1.14 0.00 0.00 176.83 177.85 3flf h VAL 306 N 0.60 1.20 -0.41 2.27 2.07 -0.68 0.05 116.25 121.36 3flf h VAL 306 Ca 0.04 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 3flf h VAL 306 Cb 1.01 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3flf h VAL 306 CO 0.10 0.20 0.20 0.11 0.02 0.00 0.00 177.57 178.20 3flf h LYS 307 N 1.01 0.58 -0.78 1.57 1.57 -0.93 -2.21 116.57 117.38 3flf h LYS 307 Ca 0.27 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 59.03 3flf h LYS 307 Cb -0.08 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.07 3flf h LYS 307 CO -0.05 0.50 0.46 1.96 -0.57 0.00 0.00 179.45 181.75 3flf h GLN 308 N 0.52 0.82 -0.21 3.15 4.20 -0.62 -1.15 115.11 121.82 3flf h GLN 308 Ca 0.14 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 3flf h GLN 308 Cb 0.10 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3flf h GLN 308 CO -0.02 0.54 0.05 0.00 -0.67 0.00 0.00 178.83 178.73 3flf h ALA 309 N 1.39 0.27 -0.27 3.87 0.00 -0.66 0.79 119.26 124.65 3flf h ALA 309 Ca 0.35 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 3flf h ALA 309 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3flf h ALA 309 CO -0.18 -0.08 -0.35 0.74 0.00 0.00 0.00 179.25 179.37 3flf h PHE 310 N 0.15 0.69 -0.74 0.00 0.04 -1.22 -1.84 116.94 114.02 3flf h PHE 310 Ca 0.06 -0.19 0.09 0.00 2.80 0.00 0.00 57.97 60.74 3flf h PHE 310 Cb 0.28 -0.15 -0.07 0.00 2.20 0.00 0.00 35.95 38.20 3flf h PHE 310 CO 0.01 0.87 0.39 -0.44 -0.60 0.00 0.00 178.31 178.54 3flf h ASP 311 N 0.50 0.53 0.20 2.17 3.32 -0.94 0.71 116.42 122.91 3flf h ASP 311 Ca 0.05 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 3flf h ASP 311 Cb 0.85 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 3flf h ASP 311 CO 0.07 0.31 -0.17 0.00 -1.72 0.00 0.00 179.24 177.73 3flf h ALA 312 N 1.43 1.63 -0.69 3.45 0.00 -0.01 -0.27 119.26 124.80 3flf h ALA 312 Ca 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3flf h ALA 312 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3flf h ALA 312 CO -0.25 0.21 0.00 1.33 0.00 0.00 0.00 179.25 180.54 3flf n VAL 313 N -4.21 1.45 -1.94 0.00 0.24 -0.99 -4.79 118.33 108.09 3flf n VAL 313 Ca -0.02 -1.09 -0.09 0.00 -2.04 0.00 0.00 64.34 61.09 3flf n VAL 313 Cb 0.24 0.28 -0.01 0.00 -1.47 0.00 0.00 33.84 32.88 3flf n VAL 313 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3flf n GLY 314 N 1.38 0.27 3.35 7.63 0.00 -0.11 -0.55 105.19 117.16 3flf n GLY 314 Ca 0.25 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 3flf n GLY 314 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3flf s VAL 315 N -2.44 4.10 -2.84 1.61 1.01 0.19 -4.58 120.40 117.45 3flf s VAL 315 Ca 0.00 -0.78 0.25 0.00 0.00 0.00 0.00 61.98 61.45 3flf s VAL 315 Cb 0.00 -3.18 0.30 0.00 0.00 0.00 0.00 36.38 33.50 3flf s VAL 315 CO 0.00 -0.03 1.41 0.29 0.00 0.00 0.00 175.10 176.78