#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fr9 n GLY 2 N 0.00 0.76 0.11 3.03 0.00 -1.26 -5.08 105.19 102.75 3fr9 n GLY 2 Ca 0.00 -1.79 0.12 0.00 0.00 0.00 0.00 46.02 44.35 3fr9 n GLY 2 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3fr9 h ASP 3 N 0.00 0.00 -3.51 1.61 3.04 -1.99 -3.42 116.42 112.15 3fr9 h ASP 3 Ca 0.00 -0.06 -0.61 0.00 -3.24 0.00 0.00 57.03 53.12 3fr9 h ASP 3 Cb 0.00 0.00 -0.37 0.00 -1.04 0.00 0.00 39.33 37.92 3fr9 h ASP 3 CO 0.00 0.03 -0.80 0.21 -2.04 0.00 0.00 179.24 176.64 3fr9 s ASN 4 N -5.11 3.55 -0.21 4.15 2.47 -1.26 -5.04 114.94 113.48 3fr9 s ASN 4 Ca 0.02 -0.99 -0.06 0.00 0.42 0.00 0.00 52.86 52.25 3fr9 s ASN 4 Cb 0.10 -1.21 -0.03 0.00 -1.45 0.00 0.00 41.25 38.67 3fr9 s ASN 4 CO 0.77 -0.18 0.03 -0.63 -3.72 0.00 0.00 177.10 173.36 3fr9 s ILE 5 N 1.40 4.15 -0.17 -5.21 -1.09 -1.26 -2.74 121.20 116.29 3fr9 s ILE 5 Ca -0.03 -0.24 0.01 0.00 -2.23 0.00 0.00 60.65 58.16 3fr9 s ILE 5 Cb -0.17 -2.90 0.01 0.00 -1.58 0.00 0.00 42.46 37.82 3fr9 s ILE 5 CO -0.07 0.41 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.18 3fr9 s VAL 6 N 1.10 2.41 -0.25 2.92 1.01 -0.17 0.10 120.40 127.51 3fr9 s VAL 6 Ca 0.03 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 3fr9 s VAL 6 Cb -0.14 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 3fr9 s VAL 6 CO 0.02 0.52 0.24 -0.22 0.00 0.00 0.00 175.10 175.67 3fr9 s LEU 7 N 1.02 4.08 -0.17 3.92 2.96 -0.09 -0.07 118.68 130.32 3fr9 s LEU 7 Ca -0.02 0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 54.00 3fr9 s LEU 7 Cb -0.15 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.28 3fr9 s LEU 7 CO -0.05 -0.03 0.03 -0.31 -1.32 0.00 0.00 176.35 174.67 3fr9 s TYR 8 N 1.48 3.18 0.19 5.38 1.51 0.14 -0.60 117.35 128.62 3fr9 s TYR 8 Ca 0.10 -0.04 -0.23 0.00 -1.01 0.00 0.00 57.07 55.89 3fr9 s TYR 8 Cb -0.15 -2.04 0.07 0.00 -0.11 0.00 0.00 41.96 39.73 3fr9 s TYR 8 CO 0.08 0.10 0.97 -0.47 -1.11 0.00 0.00 175.55 175.12 3fr9 s TYR 9 N 0.37 -0.04 0.93 2.71 6.14 -0.93 -1.12 117.35 125.40 3fr9 s TYR 9 Ca 0.01 -0.33 -0.12 0.00 0.64 0.00 0.00 57.07 57.26 3fr9 s TYR 9 Cb -0.13 0.68 0.15 0.00 0.42 0.00 0.00 41.96 43.08 3fr9 s TYR 9 CO 0.01 -0.93 1.12 -0.06 0.64 0.00 0.00 175.55 176.33 3fr9 s PHE 10 N -2.84 2.42 -1.27 4.97 0.40 -1.26 -0.69 117.98 119.71 3fr9 s PHE 10 Ca 0.16 0.92 -0.16 0.00 -0.60 0.00 0.00 56.93 57.24 3fr9 s PHE 10 Cb -0.02 -3.33 -0.01 0.00 0.51 0.00 0.00 43.02 40.16 3fr9 s PHE 10 CO 0.04 -2.47 2.12 -3.47 0.70 0.00 0.00 175.22 172.14 3fr9 n ASP 11 N -3.86 3.56 -3.76 1.36 4.64 -0.43 -4.49 116.55 113.57 3fr9 n ASP 11 Ca 0.06 -2.80 -0.09 0.00 -1.38 0.00 0.00 54.79 50.58 3fr9 n ASP 11 Cb 0.58 -1.52 -0.03 0.00 -1.04 0.00 0.00 41.12 39.11 3fr9 n ASP 11 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3fr9 s ALA 12 N 3.84 -1.14 0.00 -1.67 0.00 -1.26 -5.06 121.76 116.47 3fr9 s ALA 12 Ca 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.28 3fr9 s ALA 12 Cb 0.13 0.88 0.00 0.00 0.00 0.00 0.00 23.12 24.13 3fr9 s ALA 12 CO -0.02 -0.91 0.13 0.54 0.00 0.00 0.00 175.76 175.49 3fr9 n ARG 13 N -0.41 0.00 0.00 0.00 1.74 -1.26 -4.77 116.66 111.96 3fr9 n ARG 13 Ca -0.08 0.34 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 3fr9 n ARG 13 Cb 0.61 -0.92 0.00 0.00 -1.02 0.00 0.00 32.46 31.14 3fr9 n ARG 13 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fr9 n GLY 14 N 1.71 2.49 0.00 -0.13 0.00 -1.26 -1.32 105.19 106.69 3fr9 n GLY 14 Ca 0.00 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.25 3fr9 n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fr9 n LYS 15 N 14.00 0.14 -0.03 1.61 4.76 -1.26 -3.53 118.16 133.85 3fr9 n LYS 15 Ca 0.00 0.06 0.04 0.00 -2.87 0.00 0.00 58.31 55.54 3fr9 n LYS 15 Cb 0.00 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 31.55 3fr9 n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3fr9 n ALA 16 N -1.42 2.34 -0.28 7.82 0.00 -0.80 -4.69 120.51 123.50 3fr9 n ALA 16 Ca 0.08 -0.65 0.07 0.00 0.00 0.00 0.00 53.44 52.94 3fr9 n ALA 16 Cb 0.26 -0.47 0.30 0.00 0.00 0.00 0.00 19.45 19.53 3fr9 n ALA 16 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3fr9 h GLU 17 N 0.00 0.85 -0.20 0.00 4.57 -1.24 -0.99 114.58 117.57 3fr9 h GLU 17 Ca -0.14 -0.05 -0.11 0.00 -1.18 0.00 0.00 59.36 57.88 3fr9 h GLU 17 Cb 1.22 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 3fr9 h GLU 17 CO 0.01 0.56 -0.35 1.25 -1.18 0.00 0.00 179.01 179.30 3fr9 h LEU 18 N 0.87 0.44 -0.77 1.64 5.85 -1.83 0.55 115.31 122.06 3fr9 h LEU 18 Ca 0.41 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 3fr9 h LEU 18 Cb 0.41 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3fr9 h LEU 18 CO -0.17 0.76 0.02 0.40 -0.34 0.00 0.00 178.44 179.11 3fr9 h ILE 19 N 0.36 1.26 -0.55 4.05 2.04 -1.51 -0.67 117.51 122.49 3fr9 h ILE 19 Ca 0.04 -1.07 -0.11 0.00 1.00 0.00 0.00 64.86 64.72 3fr9 h ILE 19 Cb 0.79 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3fr9 h ILE 19 CO 0.06 0.39 -0.10 0.03 0.00 0.00 0.00 178.15 178.52 3fr9 h ARG 20 N 0.89 1.04 -0.71 2.37 3.08 -0.97 -1.16 114.38 118.91 3fr9 h ARG 20 Ca 0.17 -0.38 -0.05 0.00 0.07 0.00 0.00 59.98 59.78 3fr9 h ARG 20 Cb 0.49 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 3fr9 h ARG 20 CO 0.02 1.07 0.24 -0.07 -1.07 0.00 0.00 179.97 180.17 3fr9 h LEU 21 N 0.92 1.02 -0.61 3.04 3.38 -0.69 -0.16 115.31 122.20 3fr9 h LEU 21 Ca 0.14 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 3fr9 h LEU 21 Cb 0.67 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3fr9 h LEU 21 CO 0.05 0.95 0.09 0.40 0.09 0.00 0.00 178.44 180.01 3fr9 h ILE 22 N 1.04 1.26 -0.50 1.22 2.04 -1.00 0.38 117.51 121.96 3fr9 h ILE 22 Ca 0.23 -1.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.02 3fr9 h ILE 22 Cb 0.27 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 3fr9 h ILE 22 CO -0.01 0.38 0.10 -0.26 0.00 0.00 0.00 178.15 178.36 3fr9 h PHE 23 N 0.93 0.86 -0.41 1.37 0.04 -1.01 -1.64 116.94 117.08 3fr9 h PHE 23 Ca 0.19 -0.11 -0.04 0.00 2.80 0.00 0.00 57.97 60.81 3fr9 h PHE 23 Cb 0.44 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 3fr9 h PHE 23 CO 0.03 0.78 0.11 0.00 -0.60 0.00 0.00 178.31 178.63 3fr9 h ALA 24 N 0.98 0.54 -0.54 2.45 0.00 -0.89 0.57 119.26 122.36 3fr9 h ALA 24 Ca 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3fr9 h ALA 24 Cb 0.37 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3fr9 h ALA 24 CO 0.01 0.21 0.30 -0.92 0.00 0.00 0.00 179.25 178.84 3fr9 h TYR 25 N 0.52 0.74 -0.00 0.00 3.20 -0.83 -2.79 116.97 117.81 3fr9 h TYR 25 Ca 0.13 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3fr9 h TYR 25 Cb 0.30 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.33 3fr9 h TYR 25 CO 0.02 0.54 -0.10 1.28 -1.64 0.00 0.00 178.16 178.26 3fr9 n LEU 26 N -4.62 0.52 -1.78 2.82 4.77 -0.63 -4.84 117.00 113.24 3fr9 n LEU 26 Ca 0.03 -0.03 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 3fr9 n LEU 26 Cb 0.08 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3fr9 n LEU 26 CO 0.37 0.09 -0.17 0.61 -1.33 0.00 0.00 177.39 176.96 3fr9 n GLY 27 N 1.26 -0.24 3.65 -0.72 0.00 -0.47 -4.98 105.19 103.69 3fr9 n GLY 27 Ca 0.15 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3fr9 n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fr9 s ILE 28 N -2.78 4.79 0.08 -0.61 1.01 0.07 -5.02 121.20 118.73 3fr9 s ILE 28 Ca 0.03 1.76 -0.30 0.00 0.00 0.00 0.00 60.65 62.14 3fr9 s ILE 28 Cb -0.01 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 3fr9 s ILE 28 CO 0.03 -0.09 0.95 -0.70 0.00 0.00 0.00 174.94 175.13 3fr9 s GLU 29 N 2.82 4.66 0.11 2.79 2.12 -1.26 -4.64 118.70 125.30 3fr9 s GLU 29 Ca 0.39 1.42 -0.21 0.00 0.36 0.00 0.00 54.97 56.93 3fr9 s GLU 29 Cb -0.16 -3.39 0.05 0.00 0.26 0.00 0.00 34.13 30.89 3fr9 s GLU 29 CO 0.08 0.16 0.52 1.52 -0.54 0.00 0.00 175.26 177.00 3fr9 s TYR 30 N 0.22 -0.40 -0.25 5.30 1.13 -1.26 -4.54 117.35 117.53 3fr9 s TYR 30 Ca 0.47 0.24 -0.23 0.00 -1.41 0.00 0.00 57.07 56.15 3fr9 s TYR 30 Cb -0.23 0.40 -0.01 0.00 -1.10 0.00 0.00 41.96 41.03 3fr9 s TYR 30 CO 0.29 -0.74 0.74 0.99 -2.51 0.00 0.00 175.55 174.32 3fr9 s THR 31 N -3.36 4.89 -1.16 -3.49 2.01 0.11 -5.00 115.64 109.65 3fr9 s THR 31 Ca -0.00 1.36 -0.12 0.00 0.31 0.00 0.00 61.69 63.23 3fr9 s THR 31 Cb 0.00 -4.04 0.21 0.00 0.01 0.00 0.00 72.50 68.68 3fr9 s THR 31 CO -0.09 -0.05 1.30 -0.62 -0.69 0.00 0.00 174.62 174.47 3fr9 s ASP 32 N 1.42 7.15 -0.02 3.53 3.68 -1.26 -0.91 116.67 130.25 3fr9 s ASP 32 Ca 0.31 -3.19 -0.30 0.00 2.13 0.00 0.00 52.55 51.50 3fr9 s ASP 32 Cb -0.15 -2.33 -0.04 0.00 -1.45 0.00 0.00 42.92 38.96 3fr9 s ASP 32 CO 0.08 -0.58 1.11 -0.75 0.13 0.00 0.00 175.17 175.16 3fr9 s LYS 33 N 0.53 4.44 -0.08 4.34 2.47 0.23 -4.99 119.74 126.67 3fr9 s LYS 33 Ca 0.38 1.59 0.02 0.00 -1.56 0.00 0.00 55.97 56.40 3fr9 s LYS 33 Cb -0.06 -3.47 0.01 0.00 -1.46 0.00 0.00 37.83 32.86 3fr9 s LYS 33 CO -0.03 -0.28 -0.13 1.03 0.16 0.00 0.00 175.35 176.10 3fr9 s ARG 34 N 1.57 1.84 0.10 4.03 0.52 -1.25 -2.19 118.95 123.56 3fr9 s ARG 34 Ca 0.54 -0.44 -0.30 0.00 -0.52 0.00 0.00 55.73 55.01 3fr9 s ARG 34 Cb -0.24 -1.56 -0.06 0.00 0.52 0.00 0.00 34.95 33.61 3fr9 s ARG 34 CO 0.25 -0.02 1.07 -0.06 0.02 0.00 0.00 175.30 176.56 3fr9 s PHE 35 N 0.85 3.61 0.00 -0.53 2.99 0.13 -3.88 117.98 121.15 3fr9 s PHE 35 Ca -0.11 1.58 0.00 0.00 0.00 0.00 0.00 56.93 58.41 3fr9 s PHE 35 Cb -0.15 -3.23 0.00 0.00 0.00 0.00 0.00 43.02 39.63 3fr9 s PHE 35 CO 0.01 -0.49 0.00 0.41 -0.00 0.00 0.00 175.22 175.16 3fr9 n GLY 36 N 2.57 1.45 0.12 4.36 0.00 -1.26 -1.31 105.19 111.12 3fr9 n GLY 36 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 3fr9 n GLY 36 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3fr9 h VAL 37 N 0.00 1.35 -0.72 1.61 2.07 -1.94 -3.27 116.25 115.36 3fr9 h VAL 37 Ca 0.00 -1.28 -0.72 0.00 0.82 0.00 0.00 66.70 65.52 3fr9 h VAL 37 Cb 0.00 1.93 -0.08 0.00 -1.52 0.00 0.00 31.29 31.63 3fr9 h VAL 37 CO 0.00 0.37 2.84 0.59 0.02 0.00 0.00 177.57 181.39 3fr9 n ASN 38 N -4.61 7.03 0.00 0.57 3.02 -1.26 -4.95 115.26 115.06 3fr9 n ASN 38 Ca -0.07 -2.93 0.00 0.00 -0.03 0.00 0.00 54.58 51.55 3fr9 n ASN 38 Cb 0.34 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.03 3fr9 n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fr9 n GLY 39 N 2.80 1.42 3.60 7.41 0.00 -1.23 -4.77 105.19 114.41 3fr9 n GLY 39 Ca 0.61 0.12 -0.43 0.00 0.00 0.00 0.00 46.02 46.32 3fr9 n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fr9 s ASP 40 N -4.00 6.65 0.22 1.61 -1.08 -1.26 -4.42 116.67 114.38 3fr9 s ASP 40 Ca 0.00 0.50 0.09 0.00 -0.52 0.00 0.00 52.55 52.62 3fr9 s ASP 40 Cb 0.00 -2.47 0.16 0.00 -1.46 0.00 0.00 42.92 39.15 3fr9 s ASP 40 CO 0.00 -0.91 1.50 0.00 0.52 0.00 0.00 175.17 176.28 3fr9 h ALA 41 N 8.61 0.76 -0.36 3.66 0.00 -1.85 -2.90 119.26 127.17 3fr9 h ALA 41 Ca -0.23 -0.68 -0.08 0.00 0.00 0.00 0.00 54.91 53.92 3fr9 h ALA 41 Cb 1.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3fr9 h ALA 41 CO 1.00 0.93 -0.10 0.35 0.00 0.00 0.00 179.25 181.43 3fr9 h PHE 42 N 0.01 0.79 -0.18 0.00 3.04 -1.94 -0.76 116.94 117.90 3fr9 h PHE 42 Ca -0.01 -0.17 -0.18 0.00 3.98 0.00 0.00 57.97 61.58 3fr9 h PHE 42 Cb 1.33 -0.19 0.01 0.00 2.56 0.00 0.00 35.95 39.65 3fr9 h PHE 42 CO 0.00 0.86 -0.61 0.28 -2.02 0.00 0.00 178.31 176.82 3fr9 h VAL 43 N 0.49 1.30 -0.39 1.41 2.07 -1.99 -2.45 116.25 116.69 3fr9 h VAL 43 Ca 0.09 -1.83 -0.03 0.00 0.82 0.00 0.00 66.70 65.75 3fr9 h VAL 43 Cb 0.61 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 3fr9 h VAL 43 CO 0.04 0.58 0.11 -0.08 0.02 0.00 0.00 177.57 178.24 3fr9 h GLU 44 N 0.44 0.57 -0.19 1.57 4.81 -1.47 0.06 114.58 120.37 3fr9 h GLU 44 Ca -0.02 -0.09 -0.21 0.00 -0.13 0.00 0.00 59.36 58.90 3fr9 h GLU 44 Cb 1.23 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.52 3fr9 h GLU 44 CO 0.13 0.51 -0.72 0.35 -0.73 0.00 0.00 179.01 178.55 3fr9 h PHE 45 N 0.56 1.09 -0.74 0.92 -0.00 -1.14 -0.65 116.94 116.97 3fr9 h PHE 45 Ca 0.13 -0.45 0.00 0.00 -0.00 0.00 0.00 57.97 57.65 3fr9 h PHE 45 Cb 0.19 -0.18 -0.04 0.00 -0.00 0.00 0.00 35.95 35.92 3fr9 h PHE 45 CO 0.01 1.29 0.48 -0.22 -0.00 0.00 0.00 178.31 179.87 3fr9 h LYS 46 N 0.58 0.98 -0.34 1.11 3.64 -0.92 -1.84 116.57 119.78 3fr9 h LYS 46 Ca -0.03 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.14 3fr9 h LYS 46 Cb 1.34 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 3fr9 h LYS 46 CO 0.15 0.66 -0.36 -0.91 -2.27 0.00 0.00 179.45 176.72 3fr9 h ASN 47 N 1.01 0.83 -0.77 4.20 2.35 -0.98 -3.13 115.58 119.08 3fr9 h ASN 47 Ca 0.27 -0.36 0.05 0.00 -0.55 0.00 0.00 56.30 55.71 3fr9 h ASN 47 Cb -0.10 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 37.98 3fr9 h ASN 47 CO -0.06 1.11 0.47 0.15 -1.65 0.00 0.00 177.43 177.45 3fr9 h PHE 48 N 0.65 0.87 -0.43 1.19 3.04 -0.81 -1.85 116.94 119.60 3fr9 h PHE 48 Ca 0.06 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.96 3fr9 h PHE 48 Cb 0.91 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 39.12 3fr9 h PHE 48 CO 0.05 0.46 -0.05 0.87 -2.02 0.00 0.00 178.31 177.61 3fr9 h LYS 49 N 0.88 0.74 -0.49 1.11 1.57 -1.30 0.23 116.57 119.30 3fr9 h LYS 49 Ca 0.33 -0.21 -0.13 0.00 -1.87 0.00 0.00 60.65 58.77 3fr9 h LYS 49 Cb 0.13 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3fr9 h LYS 49 CO -0.16 0.79 -0.19 0.87 -0.57 0.00 0.00 179.45 180.20 3fr9 h LYS 50 N 0.68 0.99 0.29 3.15 6.56 -1.47 -3.35 116.57 123.43 3fr9 h LYS 50 Ca 0.13 -0.41 -0.01 0.00 -1.06 0.00 0.00 60.65 59.29 3fr9 h LYS 50 Cb 0.50 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.12 3fr9 h LYS 50 CO 0.03 1.09 -0.14 0.93 -2.06 0.00 0.00 179.45 179.30 3fr9 h GLU 51 N 0.85 -0.37 -5.91 3.15 5.08 -0.94 -3.45 114.58 112.99 3fr9 h GLU 51 Ca 0.12 0.03 -0.59 0.00 -1.00 0.00 0.00 59.36 57.91 3fr9 h GLU 51 Cb 0.76 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.03 3fr9 h GLU 51 CO 0.06 -0.05 -0.17 0.15 -1.00 0.00 0.00 179.01 178.00 3fr9 s LYS 52 N -3.65 4.10 -1.23 2.33 3.01 0.76 -5.01 119.74 120.05 3fr9 s LYS 52 Ca -0.11 0.44 -0.18 0.00 -1.01 0.00 0.00 55.97 55.10 3fr9 s LYS 52 Cb 0.01 -3.30 0.08 0.00 -1.01 0.00 0.00 37.83 33.61 3fr9 s LYS 52 CO 0.41 0.49 1.63 0.34 0.51 0.00 0.00 175.35 178.73 3fr9 s ASP 53 N -0.44 6.80 0.16 2.83 3.68 -1.26 -4.61 116.67 123.83 3fr9 s ASP 53 Ca 0.24 -2.33 -0.22 0.00 2.13 0.00 0.00 52.55 52.37 3fr9 s ASP 53 Cb -0.16 -2.55 -0.08 0.00 -1.45 0.00 0.00 42.92 38.68 3fr9 s ASP 53 CO 0.12 -1.17 0.72 0.42 0.13 0.00 0.00 175.17 175.39 3fr9 s THR 54 N 3.98 4.50 -0.02 1.71 -4.23 -1.26 -4.95 115.64 115.36 3fr9 s THR 54 Ca 0.51 1.48 0.19 0.00 -1.18 0.00 0.00 61.69 62.69 3fr9 s THR 54 Cb 0.02 -4.01 0.15 0.00 1.34 0.00 0.00 72.50 70.00 3fr9 s THR 54 CO 0.03 0.44 1.63 1.55 -0.54 0.00 0.00 174.62 177.74 3fr9 h PRO 55 N 4.12 0.00 0.00 3.99 0.13 -1.93 -3.36 132.00 134.94 3fr9 h PRO 55 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3fr9 h PRO 55 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3fr9 h PRO 55 CO 0.65 0.36 -0.00 1.19 -0.23 0.00 0.00 178.00 179.96 3fr9 n PHE 56 N -3.32 0.00 -3.25 1.56 3.01 -1.26 -5.01 117.46 109.18 3fr9 n PHE 56 Ca 0.01 -0.20 -0.23 0.00 1.01 0.00 0.00 57.45 58.04 3fr9 n PHE 56 Cb 0.58 -0.02 0.02 0.00 -0.01 0.00 0.00 39.48 40.05 3fr9 n PHE 56 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3fr9 n GLU 57 N -0.20 -4.48 -4.40 -1.08 1.02 -1.26 -4.99 120.64 105.25 3fr9 n GLU 57 Ca 0.00 0.71 -0.20 0.00 -0.02 0.00 0.00 57.16 57.64 3fr9 n GLU 57 Cb 0.41 -5.52 -0.10 0.00 -0.02 0.00 0.00 31.44 26.20 3fr9 n GLU 57 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3fr9 s GLN 58 N -5.92 1.48 0.28 3.49 -0.21 -1.26 -5.11 119.66 112.40 3fr9 s GLN 58 Ca 0.38 -1.70 0.12 0.00 0.02 0.00 0.00 55.36 54.18 3fr9 s GLN 58 Cb -0.19 -1.25 -0.05 0.00 1.00 0.00 0.00 33.01 32.53 3fr9 s GLN 58 CO 0.47 0.15 -0.18 0.14 -2.12 0.00 0.00 175.29 173.75 3fr9 s VAL 59 N -2.91 2.57 0.57 1.09 -7.23 -1.26 -4.55 120.40 108.68 3fr9 s VAL 59 Ca 0.26 -2.36 -0.19 0.00 -1.81 0.00 0.00 61.98 57.88 3fr9 s VAL 59 Cb 0.00 -2.35 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 3fr9 s VAL 59 CO 0.10 -0.39 1.17 -2.16 -0.31 0.00 0.00 175.10 173.51 3fr9 s PRO 60 N -3.52 3.15 -0.12 4.82 0.04 -1.26 -4.94 135.00 133.17 3fr9 s PRO 60 Ca 0.30 1.74 0.02 0.00 0.04 0.00 0.00 61.00 63.10 3fr9 s PRO 60 Cb -0.05 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.53 3fr9 s PRO 60 CO 0.15 -1.04 -0.18 0.42 0.04 0.00 0.00 177.00 176.39 3fr9 s ILE 61 N -1.66 1.75 -0.25 0.56 -1.09 -0.27 -3.97 121.20 116.26 3fr9 s ILE 61 Ca 0.75 -0.79 -0.09 0.00 -2.23 0.00 0.00 60.65 58.29 3fr9 s ILE 61 Cb -0.28 -1.57 -0.04 0.00 -1.58 0.00 0.00 42.46 38.99 3fr9 s ILE 61 CO 0.30 0.49 0.13 -0.22 -1.23 0.00 0.00 174.94 174.41 3fr9 s LEU 62 N 0.92 3.83 -0.25 2.97 2.96 0.69 0.24 118.68 130.03 3fr9 s LEU 62 Ca -0.07 -0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 53.75 3fr9 s LEU 62 Cb -0.15 -2.04 -0.00 0.00 0.50 0.00 0.00 46.19 44.50 3fr9 s LEU 62 CO -0.02 0.00 0.01 -1.58 -1.32 0.00 0.00 176.35 173.44 3fr9 s GLN 63 N 1.42 3.29 -0.46 1.98 0.74 0.90 0.59 119.66 128.12 3fr9 s GLN 63 Ca 0.06 -0.70 -0.04 0.00 0.05 0.00 0.00 55.36 54.73 3fr9 s GLN 63 Cb -0.15 -3.17 0.12 0.00 1.10 0.00 0.00 33.01 30.91 3fr9 s GLN 63 CO 0.06 -0.29 0.27 0.42 -0.55 0.00 0.00 175.29 175.21 3fr9 s ILE 64 N 1.49 3.52 0.00 -2.34 1.01 0.09 -1.00 121.20 123.97 3fr9 s ILE 64 Ca 0.04 -2.17 0.00 0.00 0.00 0.00 0.00 60.65 58.52 3fr9 s ILE 64 Cb -0.15 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 38.94 3fr9 s ILE 64 CO -0.00 -0.74 0.00 0.61 0.00 0.00 0.00 174.94 174.81 3fr9 n GLY 65 N 4.45 2.11 0.34 6.18 0.00 -1.11 -1.30 105.19 115.87 3fr9 n GLY 65 Ca -0.01 0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.16 3fr9 n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fr9 n ASP 66 N 10.47 1.67 -4.68 1.61 10.43 -1.26 -4.96 116.55 129.84 3fr9 n ASP 66 Ca 0.00 -1.34 -0.42 0.00 2.57 0.00 0.00 54.79 55.60 3fr9 n ASP 66 Cb 0.00 0.62 -0.03 0.00 1.84 0.00 0.00 41.12 43.55 3fr9 n ASP 66 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 3fr9 s LEU 67 N -2.52 4.26 -0.27 0.64 2.96 -0.42 -5.01 118.68 118.32 3fr9 s LEU 67 Ca 0.15 1.85 -0.10 0.00 -0.22 0.00 0.00 54.13 55.80 3fr9 s LEU 67 Cb 0.16 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.25 3fr9 s LEU 67 CO 0.61 -0.66 0.17 -0.63 -1.32 0.00 0.00 176.35 174.51 3fr9 s ILE 68 N 2.61 5.21 -0.12 6.68 -1.09 -1.26 -0.73 121.20 132.49 3fr9 s ILE 68 Ca 0.58 0.13 0.02 0.00 -2.23 0.00 0.00 60.65 59.14 3fr9 s ILE 68 Cb -0.25 -3.46 -0.01 0.00 -1.58 0.00 0.00 42.46 37.16 3fr9 s ILE 68 CO 0.21 0.29 -0.18 -0.76 -1.23 0.00 0.00 174.94 173.27 3fr9 s LEU 69 N 1.55 2.42 0.37 2.97 1.43 0.20 -4.99 118.68 122.64 3fr9 s LEU 69 Ca 0.07 -0.45 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 3fr9 s LEU 69 Cb -0.15 -1.52 -0.07 0.00 0.03 0.00 0.00 46.19 44.47 3fr9 s LEU 69 CO 0.09 0.15 -0.01 0.00 0.23 0.00 0.00 176.35 176.81 3fr9 s ALA 70 N 0.45 2.93 0.01 4.21 0.00 -1.26 -0.22 121.76 127.88 3fr9 s ALA 70 Ca -0.13 -2.20 0.00 0.00 0.00 0.00 0.00 51.96 49.63 3fr9 s ALA 70 Cb -0.17 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.17 3fr9 s ALA 70 CO 0.06 -0.11 0.00 1.04 0.00 0.00 0.00 175.76 176.74 3fr9 n GLN 71 N -0.86 -1.49 -0.21 0.00 1.13 -1.25 -4.35 117.38 110.34 3fr9 n GLN 71 Ca -0.05 1.43 -0.10 0.00 -1.94 0.00 0.00 57.00 56.35 3fr9 n GLN 71 Cb 0.66 -1.68 -0.06 0.00 0.11 0.00 0.00 30.24 29.28 3fr9 n GLN 71 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 3fr9 h SER 72 N 1.21 -1.65 -0.43 1.08 0.02 -1.85 -0.33 113.55 111.61 3fr9 h SER 72 Ca 0.00 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3fr9 h SER 72 Cb 0.00 0.73 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 3fr9 h SER 72 CO 0.00 -0.34 0.27 1.56 -1.14 0.00 0.00 176.83 177.18 3fr9 h GLN 73 N -0.24 0.58 -0.81 3.45 4.20 -1.91 0.16 115.11 120.54 3fr9 h GLN 73 Ca 0.16 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 3fr9 h GLN 73 Cb 0.56 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 3fr9 h GLN 73 CO -0.70 0.41 0.40 0.00 -0.67 0.00 0.00 178.83 178.27 3fr9 h ALA 74 N 1.13 1.04 0.10 3.87 0.00 -1.73 0.84 119.26 124.51 3fr9 h ALA 74 Ca 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3fr9 h ALA 74 Cb -0.03 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.44 3fr9 h ALA 74 CO -0.03 0.59 -0.05 0.82 0.00 0.00 0.00 179.25 180.58 3fr9 h ILE 75 N 1.14 1.05 -0.38 0.00 2.04 -0.60 -0.40 117.51 120.36 3fr9 h ILE 75 Ca 0.28 -0.62 0.08 0.00 1.00 0.00 0.00 64.86 65.60 3fr9 h ILE 75 Cb 0.10 1.45 -0.08 0.00 -0.74 0.00 0.00 36.82 37.55 3fr9 h ILE 75 CO -0.04 0.15 -0.15 0.58 0.00 0.00 0.00 178.15 178.69 3fr9 h VAL 76 N -0.43 0.51 -0.57 1.67 2.07 -0.49 0.81 116.25 119.83 3fr9 h VAL 76 Ca -0.01 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 3fr9 h VAL 76 Cb 0.35 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3fr9 h VAL 76 CO 0.02 0.00 0.09 0.03 0.02 0.00 0.00 177.57 177.73 3fr9 h ARG 77 N -0.08 0.91 -0.38 1.57 3.08 -0.83 -0.77 114.38 117.88 3fr9 h ARG 77 Ca 0.19 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3fr9 h ARG 77 Cb 0.36 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3fr9 h ARG 77 CO -0.43 0.85 0.12 -0.92 -1.07 0.00 0.00 179.97 178.51 3fr9 h TYR 78 N 0.86 0.62 -0.33 3.04 5.03 -0.33 -1.85 116.97 124.00 3fr9 h TYR 78 Ca 0.18 -0.06 -0.14 0.00 2.58 0.00 0.00 58.73 61.29 3fr9 h TYR 78 Cb 0.39 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.48 3fr9 h TYR 78 CO 0.02 0.59 -0.35 -0.07 -1.32 0.00 0.00 178.16 177.03 3fr9 h LEU 79 N 0.47 0.79 -0.74 2.82 3.38 -0.69 -2.29 115.31 119.04 3fr9 h LEU 79 Ca 0.12 -0.34 -0.13 0.00 0.09 0.00 0.00 57.88 57.62 3fr9 h LEU 79 Cb 0.26 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3fr9 h LEU 79 CO -0.00 1.06 -0.60 0.28 0.09 0.00 0.00 178.44 179.27 3fr9 h SER 80 N 0.63 0.11 0.03 -0.43 0.02 -1.09 -2.26 113.55 110.56 3fr9 h SER 80 Ca 0.06 -0.06 -0.25 0.00 -0.84 0.00 0.00 61.79 60.70 3fr9 h SER 80 Cb 0.89 -0.03 0.02 0.00 0.14 0.00 0.00 62.40 63.42 3fr9 h SER 80 CO 0.08 0.68 -1.00 0.50 -1.14 0.00 0.00 176.83 175.95 3fr9 h LYS 81 N 0.07 0.62 -0.06 3.45 3.11 -1.31 0.16 116.57 122.61 3fr9 h LYS 81 Ca -0.01 -0.71 -0.06 0.00 -2.81 0.00 0.00 60.65 57.07 3fr9 h LYS 81 Cb 1.08 0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 32.51 3fr9 h LYS 81 CO 0.08 1.30 -0.22 -0.22 -2.81 0.00 0.00 179.45 177.58 3fr9 h LYS 82 N 0.25 0.10 -0.17 1.90 3.64 -1.35 -3.08 116.57 117.85 3fr9 h LYS 82 Ca -0.14 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3fr9 h LYS 82 Cb 1.68 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.49 3fr9 h LYS 82 CO 0.20 0.32 0.00 0.66 -2.27 0.00 0.00 179.45 178.35 3fr9 n TYR 83 N -4.24 0.42 -3.52 1.91 4.02 -0.86 -5.03 117.16 109.86 3fr9 n TYR 83 Ca -0.02 -0.73 -0.25 0.00 -0.01 0.00 0.00 57.90 56.89 3fr9 n TYR 83 Cb 0.30 -0.15 0.05 0.00 -0.02 0.00 0.00 39.34 39.52 3fr9 n TYR 83 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3fr9 n ASN 84 N -0.45 -5.42 -2.35 7.72 5.15 -0.73 -4.95 115.26 114.24 3fr9 n ASN 84 Ca 0.13 -0.89 -0.10 0.00 -0.60 0.00 0.00 54.58 53.13 3fr9 n ASN 84 Cb 0.59 -4.12 0.04 0.00 -0.53 0.00 0.00 39.78 35.76 3fr9 n ASN 84 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3fr9 n ILE 85 N -3.84 1.79 0.20 -1.44 -5.35 0.48 -4.81 119.36 106.38 3fr9 n ILE 85 Ca -0.10 -3.40 0.02 0.00 -0.27 0.00 0.00 62.75 58.99 3fr9 n ILE 85 Cb 0.61 0.19 -0.01 0.00 -1.74 0.00 0.00 39.64 38.69 3fr9 n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fr9 n GLY 87 N 0.88 4.22 1.01 0.00 0.00 -1.26 -3.51 105.19 106.53 3fr9 n GLY 87 Ca 0.01 -1.37 0.07 0.00 0.00 0.00 0.00 46.02 44.74 3fr9 n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fr9 n GLU 88 N -1.44 2.42 -3.96 1.61 1.02 -1.26 -4.65 120.64 114.38 3fr9 n GLU 88 Ca 0.00 -1.83 -0.09 0.00 -0.02 0.00 0.00 57.16 55.22 3fr9 n GLU 88 Cb 0.00 -1.51 -0.04 0.00 -0.02 0.00 0.00 31.44 29.87 3fr9 n GLU 88 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3fr9 s SER 89 N -0.90 -0.12 0.18 1.62 1.04 -1.26 -5.01 113.70 109.23 3fr9 s SER 89 Ca 0.34 -0.86 -0.14 0.00 0.48 0.00 0.00 55.95 55.77 3fr9 s SER 89 Cb 0.19 0.62 0.07 0.00 0.10 0.00 0.00 66.02 67.01 3fr9 s SER 89 CO 0.20 -1.20 1.83 -0.08 0.98 0.00 0.00 173.24 174.97 3fr9 h GLU 90 N 2.19 0.73 -0.29 4.02 4.81 -1.99 0.30 114.58 124.34 3fr9 h GLU 90 Ca -0.24 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 58.78 3fr9 h GLU 90 Cb 1.25 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 3fr9 h GLU 90 CO 0.32 0.49 -0.46 1.25 -0.73 0.00 0.00 179.01 179.88 3fr9 h LEU 91 N 0.74 0.83 -0.94 1.64 5.85 -1.99 -2.56 115.31 118.88 3fr9 h LEU 91 Ca 0.20 -0.41 -0.10 0.00 0.84 0.00 0.00 57.88 58.41 3fr9 h LEU 91 Cb -0.07 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 3fr9 h LEU 91 CO -0.04 1.16 -0.30 0.78 -0.34 0.00 0.00 178.44 179.70 3fr9 h ASN 92 N 0.61 0.41 -0.79 1.25 -0.26 -1.88 -1.29 115.58 113.63 3fr9 h ASN 92 Ca 0.03 -0.15 0.02 0.00 -0.56 0.00 0.00 56.30 55.65 3fr9 h ASN 92 Cb 1.03 -0.11 -0.04 0.00 -1.06 0.00 0.00 38.32 38.13 3fr9 h ASN 92 CO 0.10 0.70 0.51 -0.08 -1.06 0.00 0.00 177.43 177.61 3fr9 h GLU 93 N 0.36 1.00 -0.47 0.81 4.81 -0.83 -1.88 114.58 118.38 3fr9 h GLU 93 Ca 0.05 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3fr9 h GLU 93 Cb 0.71 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 3fr9 h GLU 93 CO 0.05 0.66 0.15 0.35 -0.73 0.00 0.00 179.01 179.50 3fr9 h PHE 94 N 1.03 0.75 -0.62 0.92 3.57 -1.03 -2.67 116.94 118.88 3fr9 h PHE 94 Ca 0.30 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 3fr9 h PHE 94 Cb -0.06 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 3fr9 h PHE 94 CO -0.02 0.66 0.29 1.88 -2.23 0.00 0.00 178.31 178.88 3fr9 h TYR 95 N 0.62 0.91 -0.60 0.41 0.05 -0.95 0.36 116.97 117.77 3fr9 h TYR 95 Ca 0.15 -0.05 0.04 0.00 0.05 0.00 0.00 58.73 58.92 3fr9 h TYR 95 Cb 0.26 -0.28 -0.05 0.00 1.01 0.00 0.00 36.73 37.67 3fr9 h TYR 95 CO 0.01 0.70 0.34 0.00 -1.05 0.00 0.00 178.16 178.16 3fr9 h ALA 96 N 1.12 0.79 -0.13 3.88 0.00 -1.38 0.02 119.26 123.56 3fr9 h ALA 96 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3fr9 h ALA 96 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3fr9 h ALA 96 CO -0.02 0.04 0.04 0.22 0.00 0.00 0.00 179.25 179.53 3fr9 h ASP 97 N 0.66 0.18 -0.29 0.00 -0.00 -1.00 -0.18 116.42 115.79 3fr9 h ASP 97 Ca 0.26 -0.19 0.05 0.00 -0.00 0.00 0.00 57.03 57.14 3fr9 h ASP 97 Cb 0.11 -0.05 -0.04 0.00 -0.00 0.00 0.00 39.33 39.35 3fr9 h ASP 97 CO -0.14 0.32 0.03 -0.03 -0.00 0.00 0.00 179.24 179.42 3fr9 h MET 98 N 0.03 0.13 -0.54 0.28 4.05 -0.08 0.35 114.93 119.15 3fr9 h MET 98 Ca 0.04 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 3fr9 h MET 98 Cb 0.20 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.95 3fr9 h MET 98 CO -0.00 0.08 0.25 0.82 0.23 0.00 0.00 176.91 178.29 3fr9 h ILE 99 N 0.13 1.20 -0.43 1.77 2.04 -0.90 -0.85 117.51 120.47 3fr9 h ILE 99 Ca 0.14 -0.59 0.03 0.00 1.00 0.00 0.00 64.86 65.43 3fr9 h ILE 99 Cb 0.17 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 3fr9 h ILE 99 CO -0.21 0.23 0.23 0.15 0.00 0.00 0.00 178.15 178.56 3fr9 h PHE 100 N 0.72 0.43 -0.63 1.37 3.57 -0.66 0.10 116.94 121.84 3fr9 h PHE 100 Ca 0.18 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 3fr9 h PHE 100 Cb 0.14 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 3fr9 h PHE 100 CO -0.00 0.23 0.34 0.00 -2.23 0.00 0.00 178.31 176.65 3fr9 h GLY 102 N 0.95 1.01 0.58 0.00 0.00 -0.42 -2.57 103.07 102.62 3fr9 h GLY 102 Ca 0.22 -0.62 0.07 0.00 0.00 0.00 0.00 47.33 47.01 3fr9 h GLY 102 CO -0.04 0.57 0.32 -2.08 0.00 0.00 0.00 176.54 175.32 3fr9 h VAL 103 N 0.86 0.90 -0.46 4.60 2.07 -0.28 -2.64 116.25 121.30 3fr9 h VAL 103 Ca 0.19 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3fr9 h VAL 103 Cb 0.31 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 3fr9 h VAL 103 CO -0.00 0.10 0.27 1.56 0.02 0.00 0.00 177.57 179.52 3fr9 h GLN 104 N 0.57 0.62 0.40 1.57 1.08 -0.94 0.25 115.11 118.66 3fr9 h GLN 104 Ca 0.30 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.43 3fr9 h GLN 104 Cb 0.26 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 3fr9 h GLN 104 CO -0.22 0.45 -0.19 -0.44 -0.95 0.00 0.00 178.83 177.47 3fr9 h ASP 105 N 0.63 -0.45 0.70 1.46 3.32 -1.10 -1.33 116.42 119.65 3fr9 h ASP 105 Ca 0.17 -0.05 -0.15 0.00 0.02 0.00 0.00 57.03 57.01 3fr9 h ASP 105 Cb -0.01 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3fr9 h ASP 105 CO -0.03 -0.23 -0.72 -0.29 -1.72 0.00 0.00 179.24 176.25 3fr9 h ILE 106 N -0.66 1.51 -0.41 0.35 6.09 -1.36 -3.04 117.51 119.99 3fr9 h ILE 106 Ca -0.05 -2.45 -0.15 0.00 -1.37 0.00 0.00 64.86 60.83 3fr9 h ILE 106 Cb 0.48 2.32 -0.01 0.00 0.47 0.00 0.00 36.82 40.08 3fr9 h ILE 106 CO 0.09 0.70 -0.33 -0.74 -3.07 0.00 0.00 178.15 174.80 3fr9 h HIS 107 N 0.01 1.13 -0.55 2.19 2.76 -0.54 -1.92 115.15 118.24 3fr9 h HIS 107 Ca -0.01 -0.32 0.07 0.00 -2.20 0.00 0.00 60.37 57.91 3fr9 h HIS 107 Cb 1.27 -0.25 -0.06 0.00 1.55 0.00 0.00 27.41 29.93 3fr9 h HIS 107 CO 0.00 1.15 0.22 -0.92 -1.30 0.00 0.00 177.93 177.09 3fr9 h TYR 108 N 0.79 0.40 -0.79 5.26 3.20 -1.23 0.19 116.97 124.79 3fr9 h TYR 108 Ca 0.08 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3fr9 h TYR 108 Cb 0.93 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 39.06 3fr9 h TYR 108 CO 0.06 0.14 0.47 0.87 -1.64 0.00 0.00 178.16 178.06 3fr9 h LYS 109 N 0.42 1.08 -0.52 1.82 1.57 -1.40 0.91 116.57 120.44 3fr9 h LYS 109 Ca 0.26 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 3fr9 h LYS 109 Cb 0.27 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3fr9 h LYS 109 CO -0.25 0.76 0.17 0.35 -0.57 0.00 0.00 179.45 179.91 3fr9 h PHE 110 N 1.08 0.84 -0.66 -1.35 3.04 -0.73 -2.73 116.94 116.43 3fr9 h PHE 110 Ca 0.28 -0.08 -0.01 0.00 3.98 0.00 0.00 57.97 62.14 3fr9 h PHE 110 Cb -0.03 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 38.20 3fr9 h PHE 110 CO -0.01 0.72 0.39 -0.91 -2.02 0.00 0.00 178.31 176.48 3fr9 h ASN 111 N 0.72 0.80 0.38 0.41 2.35 -0.13 0.44 115.58 120.55 3fr9 h ASN 111 Ca 0.17 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3fr9 h ASN 111 Cb 0.27 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3fr9 h ASN 111 CO -0.01 0.63 0.00 0.78 -1.65 0.00 0.00 177.43 177.19 3fr9 h ASN 112 N 0.90 0.00 0.00 5.81 -0.26 -0.73 -0.97 115.58 120.33 3fr9 h ASN 112 Ca 0.24 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.65 3fr9 h ASN 112 Cb -0.01 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.20 3fr9 h ASN 112 CO -0.04 0.00 -2.01 0.41 -1.06 0.00 0.00 177.43 174.73 3fr9 n THR 113 N -3.07 1.52 -0.19 2.81 -1.04 -0.84 -3.67 114.28 109.79 3fr9 n THR 113 Ca -0.02 -0.21 -0.10 0.00 -2.04 0.00 0.00 64.05 61.68 3fr9 n THR 113 Cb 0.16 -2.02 0.01 0.00 -1.82 0.00 0.00 70.33 66.66 3fr9 n THR 113 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 3fr9 h ASN 114 N -1.00 0.98 0.03 8.00 -1.24 -0.15 -3.34 115.58 118.85 3fr9 h ASN 114 Ca -0.49 -0.32 -0.39 0.00 0.71 0.00 0.00 56.30 55.82 3fr9 h ASN 114 Cb 1.41 -0.26 -0.06 0.00 0.73 0.00 0.00 38.32 40.14 3fr9 h ASN 114 CO -0.30 1.06 -2.33 0.18 -1.29 0.00 0.00 177.43 174.76 3fr9 n LEU 115 N -4.23 2.72 0.00 0.34 4.77 -0.38 -5.07 117.00 115.15 3fr9 n LEU 115 Ca 0.02 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3fr9 n LEU 115 Cb 0.35 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 3fr9 n LEU 115 CO 0.44 0.85 -0.03 0.49 -1.33 0.00 0.00 177.39 177.80 3fr9 n PHE 116 N -3.49 0.00 0.00 -1.77 3.01 -1.12 -5.05 117.46 109.04 3fr9 n PHE 116 Ca -0.43 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.03 3fr9 n PHE 116 Cb 0.98 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.45 3fr9 n PHE 116 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3fr9 n GLU 120 N -1.00 0.00 -0.13 -1.08 1.02 -1.26 -4.83 120.64 113.37 3fr9 n GLU 120 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 3fr9 n GLU 120 Cb 0.00 -0.02 -0.00 0.00 -0.02 0.00 0.00 31.44 31.40 3fr9 n GLU 120 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3fr9 h THR 121 N 0.00 0.28 -0.60 2.62 2.02 -2.03 0.28 112.91 115.48 3fr9 h THR 121 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3fr9 h THR 121 Cb 0.00 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 3fr9 h THR 121 CO 0.00 0.00 0.37 0.74 0.37 0.00 0.00 175.52 177.00 3fr9 h THR 122 N -0.20 1.17 -0.08 3.16 2.02 -2.01 -0.71 112.91 116.26 3fr9 h THR 122 Ca 0.19 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 3fr9 h THR 122 Cb 0.51 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3fr9 h THR 122 CO -0.54 0.18 -0.01 0.15 0.37 0.00 0.00 175.52 175.67 3fr9 h PHE 123 N 0.81 0.17 -0.06 3.16 3.57 -1.70 -1.17 116.94 121.72 3fr9 h PHE 123 Ca 0.22 -0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.53 3fr9 h PHE 123 Cb -0.03 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3fr9 h PHE 123 CO -0.02 0.44 -0.65 1.25 -2.23 0.00 0.00 178.31 177.10 3fr9 h LEU 124 N -0.15 0.30 0.00 0.59 5.85 -0.35 0.31 115.31 121.86 3fr9 h LEU 124 Ca 0.02 -0.19 -0.13 0.00 0.84 0.00 0.00 57.88 58.43 3fr9 h LEU 124 Cb 0.38 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3fr9 h LEU 124 CO 0.01 0.87 -1.97 0.59 -0.34 0.00 0.00 178.44 177.60 3fr9 n ASN 125 N -3.84 0.84 -0.03 1.25 3.02 -0.28 -4.49 115.26 111.72 3fr9 n ASN 125 Ca -0.03 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.45 3fr9 n ASN 125 Cb 0.65 1.45 -0.02 0.00 -0.61 0.00 0.00 39.78 41.25 3fr9 n ASN 125 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3fr9 n GLU 126 N -2.34 0.14 -0.04 3.52 1.02 -0.53 -4.79 120.64 117.63 3fr9 n GLU 126 Ca -0.14 0.06 -0.04 0.00 -0.02 0.00 0.00 57.16 57.03 3fr9 n GLU 126 Cb 0.72 -0.74 -0.03 0.00 -0.02 0.00 0.00 31.44 31.36 3fr9 n GLU 126 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3fr9 h ASP 127 N -0.22 -0.03 0.16 1.62 3.45 -1.12 -3.31 116.42 116.97 3fr9 h ASP 127 Ca -0.16 -0.22 0.02 0.00 0.43 0.00 0.00 57.03 57.09 3fr9 h ASP 127 Cb 1.15 0.01 -0.04 0.00 -0.56 0.00 0.00 39.33 39.88 3fr9 h ASP 127 CO -0.10 0.57 -0.38 0.25 -1.57 0.00 0.00 179.24 178.02 3fr9 h LEU 128 N -1.00 -1.09 -0.88 1.55 6.46 -0.65 -0.23 115.31 119.46 3fr9 h LEU 128 Ca -0.00 0.12 -0.09 0.00 -0.12 0.00 0.00 57.88 57.78 3fr9 h LEU 128 Cb 0.25 0.41 -0.02 0.00 -0.73 0.00 0.00 40.66 40.58 3fr9 h LEU 128 CO 0.01 -0.47 -0.19 -0.65 -0.62 0.00 0.00 178.44 176.52 3fr9 h PRO 129 N -0.63 0.62 -0.03 5.25 0.11 -1.79 0.16 132.00 135.69 3fr9 h PRO 129 Ca 0.02 -0.22 -0.00 0.00 0.11 0.00 0.00 66.00 65.91 3fr9 h PRO 129 Cb 0.65 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 3fr9 h PRO 129 CO -0.20 0.77 0.01 -0.22 -0.21 0.00 0.00 178.00 178.15 3fr9 h LYS 130 N 0.55 0.04 -0.01 1.05 3.64 -1.61 -1.31 116.57 118.92 3fr9 h LYS 130 Ca 0.09 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 3fr9 h LYS 130 Cb 0.63 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 3fr9 h LYS 130 CO 0.04 0.23 -0.50 -1.49 -2.27 0.00 0.00 179.45 175.46 3fr9 h TRP 131 N -0.15 0.04 -0.33 1.91 4.06 -0.87 -2.05 115.95 118.55 3fr9 h TRP 131 Ca 0.01 -0.01 -0.08 0.00 2.06 0.00 0.00 58.89 60.87 3fr9 h TRP 131 Cb 0.20 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.34 3fr9 h TRP 131 CO -0.01 0.53 -0.13 0.77 -3.56 0.00 0.00 178.44 176.04 3fr9 h SER 132 N 0.03 0.57 -0.63 -3.49 0.02 -0.61 -2.48 113.55 106.96 3fr9 h SER 132 Ca -0.00 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 60.72 3fr9 h SER 132 Cb 0.90 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.26 3fr9 h SER 132 CO 0.07 0.73 0.15 1.23 -1.14 0.00 0.00 176.83 177.87 3fr9 h GLY 133 N 0.96 1.11 0.87 -3.77 0.00 -0.80 -0.97 103.07 100.46 3fr9 h GLY 133 Ca 0.09 -0.68 0.01 0.00 0.00 0.00 0.00 47.33 46.76 3fr9 h GLY 133 CO 0.03 0.63 0.01 -0.97 0.00 0.00 0.00 176.54 176.25 3fr9 h TYR 134 N 0.98 0.01 -0.21 5.60 0.05 -1.02 -1.58 116.97 120.80 3fr9 h TYR 134 Ca 0.21 0.01 -0.16 0.00 0.05 0.00 0.00 58.73 58.84 3fr9 h TYR 134 Cb 0.36 0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 3fr9 h TYR 134 CO 0.03 0.00 -0.51 0.74 -1.05 0.00 0.00 178.16 177.36 3fr9 h PHE 135 N 0.05 0.73 -0.40 4.88 -1.00 -1.40 -1.85 116.94 117.94 3fr9 h PHE 135 Ca 0.04 -0.25 0.07 0.00 2.81 0.00 0.00 57.97 60.65 3fr9 h PHE 135 Cb 0.04 -0.14 -0.06 0.00 3.61 0.00 0.00 35.95 39.40 3fr9 h PHE 135 CO -0.12 0.98 0.01 0.93 -1.61 0.00 0.00 178.31 178.50 3fr9 h GLU 136 N 0.46 0.12 -0.30 1.51 4.39 -1.08 0.18 114.58 119.86 3fr9 h GLU 136 Ca 0.02 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 3fr9 h GLU 136 Cb 1.05 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.66 3fr9 h GLU 136 CO 0.10 0.08 -0.14 -0.22 -1.16 0.00 0.00 179.01 177.66 3fr9 h LYS 137 N 0.12 0.51 -0.32 2.33 3.64 -1.14 -0.67 116.57 121.04 3fr9 h LYS 137 Ca 0.20 -0.16 -0.17 0.00 -1.27 0.00 0.00 60.65 59.25 3fr9 h LYS 137 Cb 0.28 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3fr9 h LYS 137 CO -0.32 0.65 -0.47 -0.07 -2.27 0.00 0.00 179.45 176.97 3fr9 h LEU 138 N 0.47 0.93 -0.31 5.20 3.38 -0.80 -1.77 115.31 122.41 3fr9 h LEU 138 Ca 0.08 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 3fr9 h LEU 138 Cb 0.53 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3fr9 h LEU 138 CO 0.03 1.25 0.05 -0.07 0.09 0.00 0.00 178.44 179.79 3fr9 h LEU 139 N 0.68 0.49 -0.88 1.67 3.38 -0.81 -3.00 115.31 116.83 3fr9 h LEU 139 Ca 0.04 -0.26 0.12 0.00 0.09 0.00 0.00 57.88 57.86 3fr9 h LEU 139 Cb 1.06 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.60 3fr9 h LEU 139 CO 0.11 0.63 0.50 0.50 0.09 0.00 0.00 178.44 180.27 3fr9 h LYS 140 N 0.33 0.76 -0.81 1.13 3.64 -1.06 0.69 116.57 121.26 3fr9 h LYS 140 Ca 0.09 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 3fr9 h LYS 140 Cb 0.35 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 3fr9 h LYS 140 CO 0.01 0.50 0.53 -0.22 -2.27 0.00 0.00 179.45 178.00 3fr9 h LYS 141 N 0.79 0.94 0.00 1.90 1.63 -1.23 -3.26 116.57 117.33 3fr9 h LYS 141 Ca 0.45 -0.06 -0.27 0.00 -0.85 0.00 0.00 60.65 59.92 3fr9 h LYS 141 Cb 0.50 -0.21 -0.05 0.00 -0.60 0.00 0.00 32.23 31.87 3fr9 h LYS 141 CO -0.29 0.62 -2.20 -1.71 -3.45 0.00 0.00 179.45 172.42 3fr9 n ASN 142 N -4.46 0.42 -4.55 4.20 5.15 -0.46 -5.11 115.26 110.46 3fr9 n ASN 142 Ca 0.11 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.79 3fr9 n ASN 142 Cb 0.14 1.15 0.14 0.00 -0.53 0.00 0.00 39.78 40.67 3fr9 n ASN 142 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3fr9 s HIS 143 N -2.63 2.25 0.00 1.20 2.46 0.23 -4.96 115.29 113.84 3fr9 s HIS 143 Ca -0.09 0.60 0.00 0.00 0.47 0.00 0.00 55.06 56.04 3fr9 s HIS 143 Cb 0.07 -3.69 0.00 0.00 -0.13 0.00 0.00 32.58 28.82 3fr9 s HIS 143 CO 0.77 -2.32 0.00 -1.71 -2.47 0.00 0.00 174.74 169.02 3fr9 n ASN 148 N -3.64 -0.10 -0.65 9.88 5.15 -1.26 -4.85 115.26 119.78 3fr9 n ASN 148 Ca 0.11 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.20 3fr9 n ASN 148 Cb 0.60 0.01 0.09 0.00 -0.53 0.00 0.00 39.78 39.95 3fr9 n ASN 148 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3fr9 n ASP 149 N -0.02 2.29 -4.75 1.20 3.85 -1.26 -4.93 116.55 112.94 3fr9 n ASP 149 Ca 0.00 -1.65 -0.38 0.00 -0.71 0.00 0.00 54.79 52.04 3fr9 n ASP 149 Cb 0.00 0.25 -0.06 0.00 -1.35 0.00 0.00 41.12 39.97 3fr9 n ASP 149 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3fr9 s LYS 150 N -2.28 4.29 -0.27 0.11 3.01 -1.26 -4.89 119.74 118.45 3fr9 s LYS 150 Ca 0.23 0.61 -0.01 0.00 -1.01 0.00 0.00 55.97 55.80 3fr9 s LYS 150 Cb 0.19 -3.37 0.08 0.00 -1.01 0.00 0.00 37.83 33.72 3fr9 s LYS 150 CO 0.46 0.30 0.05 0.71 0.51 0.00 0.00 175.35 177.38 3fr9 s TYR 151 N 0.09 1.87 -0.01 3.18 2.02 -1.26 -5.00 117.35 118.24 3fr9 s TYR 151 Ca 0.29 -1.66 0.08 0.00 -0.37 0.00 0.00 57.07 55.41 3fr9 s TYR 151 Cb -0.17 -1.64 -0.02 0.00 -0.40 0.00 0.00 41.96 39.73 3fr9 s TYR 151 CO 0.14 -0.81 -0.24 0.71 -1.57 0.00 0.00 175.55 173.79 3fr9 s TYR 152 N 1.56 2.39 0.02 2.71 2.02 -1.26 -4.92 117.35 119.88 3fr9 s TYR 152 Ca 0.04 -0.39 0.12 0.00 -0.37 0.00 0.00 57.07 56.48 3fr9 s TYR 152 Cb -0.18 -1.49 0.06 0.00 -0.40 0.00 0.00 41.96 39.95 3fr9 s TYR 152 CO -0.16 0.04 1.43 0.74 -1.57 0.00 0.00 175.55 176.03 3fr9 h PHE 153 N 5.27 0.00 -3.34 2.71 -1.00 -1.91 -3.41 116.94 115.26 3fr9 h PHE 153 Ca -0.44 0.00 -0.46 0.00 2.81 0.00 0.00 57.97 59.88 3fr9 h PHE 153 Cb 1.13 0.00 -0.35 0.00 3.61 0.00 0.00 35.95 40.34 3fr9 h PHE 153 CO 0.43 0.69 -0.78 0.08 -1.61 0.00 0.00 178.31 177.11 3fr9 s VAL 154 N -2.99 0.70 0.00 -0.55 1.01 -1.26 -4.84 120.40 112.47 3fr9 s VAL 154 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.84 3fr9 s VAL 154 Cb 0.09 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.74 3fr9 s VAL 154 CO 0.77 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.76 3fr9 n GLY 155 N 4.47 1.93 0.11 4.51 0.00 -1.26 -3.91 105.19 111.04 3fr9 n GLY 155 Ca -0.18 -0.47 0.07 0.00 0.00 0.00 0.00 46.02 45.44 3fr9 n GLY 155 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fr9 n ASN 156 N -1.20 2.36 -4.21 1.61 3.02 -1.26 -4.82 115.26 110.76 3fr9 n ASN 156 Ca 0.00 -2.78 -0.12 0.00 -0.03 0.00 0.00 54.58 51.65 3fr9 n ASN 156 Cb 0.00 -0.32 -0.10 0.00 -0.61 0.00 0.00 39.78 38.75 3fr9 n ASN 156 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3fr9 s ASN 157 N -2.30 1.15 0.15 6.41 0.02 -1.25 -5.07 114.94 114.05 3fr9 s ASN 157 Ca 0.24 -1.11 -0.31 0.00 -1.02 0.00 0.00 52.86 50.66 3fr9 s ASN 157 Cb 0.21 0.12 -0.09 0.00 0.02 0.00 0.00 41.25 41.51 3fr9 s ASN 157 CO 0.03 -0.54 1.45 -0.22 0.02 0.00 0.00 177.10 177.84 3fr9 s LEU 158 N -3.12 4.37 0.38 0.60 0.20 -1.26 -4.72 118.68 115.13 3fr9 s LEU 158 Ca 0.20 2.46 0.08 0.00 0.69 0.00 0.00 54.13 57.56 3fr9 s LEU 158 Cb 0.06 -3.59 -0.06 0.00 -0.43 0.00 0.00 46.19 42.17 3fr9 s LEU 158 CO 0.01 -0.71 0.08 0.42 -0.29 0.00 0.00 176.35 175.86 3fr9 s THR 159 N 0.95 2.46 0.42 3.68 -4.23 -1.26 -4.64 115.64 113.02 3fr9 s THR 159 Ca 0.65 -1.85 0.31 0.00 -1.18 0.00 0.00 61.69 59.63 3fr9 s THR 159 Cb -0.40 -2.91 0.34 0.00 1.34 0.00 0.00 72.50 70.87 3fr9 s THR 159 CO 0.32 -0.10 2.12 0.10 -0.54 0.00 0.00 174.62 176.52 3fr9 h TYR 160 N 1.64 0.00 -0.88 3.99 -0.00 -0.87 -2.22 116.97 118.63 3fr9 h TYR 160 Ca -0.43 0.00 0.03 0.00 0.00 0.00 0.00 58.73 58.33 3fr9 h TYR 160 Cb 1.25 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.93 3fr9 h TYR 160 CO 0.67 0.08 0.58 0.00 -0.00 0.00 0.00 178.16 179.48 3fr9 h ALA 161 N 1.92 1.15 -0.46 0.10 0.00 -1.83 0.26 119.26 120.41 3fr9 h ALA 161 Ca -0.00 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3fr9 h ALA 161 Cb 0.29 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3fr9 h ALA 161 CO 0.01 0.45 0.24 -0.44 0.00 0.00 0.00 179.25 179.51 3fr9 h ASP 162 N 1.14 0.36 0.24 0.00 3.32 -1.79 -1.11 116.42 118.58 3fr9 h ASP 162 Ca 0.34 0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.28 3fr9 h ASP 162 Cb -0.04 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3fr9 h ASP 162 CO -0.10 0.25 -0.53 -0.07 -1.72 0.00 0.00 179.24 177.07 3fr9 h LEU 163 N 0.48 0.34 -0.23 1.55 3.38 -1.40 -1.08 115.31 118.36 3fr9 h LEU 163 Ca 0.20 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3fr9 h LEU 163 Cb 0.09 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3fr9 h LEU 163 CO -0.13 0.81 0.02 0.00 0.09 0.00 0.00 178.44 179.22 3fr9 h ALA 164 N 1.20 0.30 -0.46 1.53 0.00 -0.29 0.93 119.26 122.48 3fr9 h ALA 164 Ca 0.01 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 3fr9 h ALA 164 Cb 1.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3fr9 h ALA 164 CO 0.09 0.01 -0.15 0.28 0.00 0.00 0.00 179.25 179.47 3fr9 h VAL 165 N 0.17 1.27 -0.11 0.00 2.07 -1.14 0.11 116.25 118.62 3fr9 h VAL 165 Ca 0.07 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.31 3fr9 h VAL 165 Cb 0.37 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3fr9 h VAL 165 CO 0.01 0.44 0.06 0.15 0.02 0.00 0.00 177.57 178.24 3fr9 h PHE 166 N 0.77 0.15 -0.89 1.57 3.04 -1.14 -2.33 116.94 118.12 3fr9 h PHE 166 Ca 0.12 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.09 3fr9 h PHE 166 Cb 0.68 -0.05 -0.05 0.00 2.56 0.00 0.00 35.95 39.09 3fr9 h PHE 166 CO 0.04 0.18 0.58 -0.97 -2.02 0.00 0.00 178.31 176.12 3fr9 h ASN 167 N 0.07 0.96 0.39 0.41 -1.24 -0.63 0.12 115.58 115.67 3fr9 h ASN 167 Ca 0.04 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.03 3fr9 h ASN 167 Cb 0.08 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 38.88 3fr9 h ASN 167 CO -0.01 0.67 -0.51 0.25 -1.29 0.00 0.00 177.43 176.54 3fr9 h LEU 168 N 1.13 -1.45 -0.40 0.34 5.85 -0.81 0.81 115.31 120.78 3fr9 h LEU 168 Ca 0.35 0.13 -0.09 0.00 0.84 0.00 0.00 57.88 59.11 3fr9 h LEU 168 Cb -0.02 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3fr9 h LEU 168 CO -0.11 -0.64 -0.42 1.88 -0.34 0.00 0.00 178.44 178.81 3fr9 h TYR 169 N -0.94 0.00 -0.54 1.25 -1.99 -1.30 0.50 116.97 113.96 3fr9 h TYR 169 Ca -0.05 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.62 3fr9 h TYR 169 Cb 0.84 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.55 3fr9 h TYR 169 CO -0.31 0.42 0.10 0.22 -0.00 0.00 0.00 178.16 178.59 3fr9 h ASP 170 N 0.00 0.85 -0.50 3.88 3.58 -0.70 0.24 116.42 123.77 3fr9 h ASP 170 Ca -0.00 -0.26 -0.10 0.00 0.42 0.00 0.00 57.03 57.09 3fr9 h ASP 170 Cb 1.17 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.98 3fr9 h ASP 170 CO 0.06 0.89 -0.10 -0.78 -2.88 0.00 0.00 179.24 176.43 3fr9 h ASP 171 N 0.77 0.94 -0.30 2.28 3.58 -0.48 -3.08 116.42 120.14 3fr9 h ASP 171 Ca 0.16 -0.35 -0.04 0.00 0.42 0.00 0.00 57.03 57.22 3fr9 h ASP 171 Cb 0.39 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 3fr9 h ASP 171 CO 0.01 1.07 0.03 0.40 -2.88 0.00 0.00 179.24 177.87 3fr9 h ILE 172 N 0.80 1.24 0.00 2.25 2.04 -0.81 -3.17 117.51 119.87 3fr9 h ILE 172 Ca 0.13 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.12 3fr9 h ILE 172 Cb 0.65 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 3fr9 h ILE 172 CO 0.04 0.28 0.00 -0.62 0.00 0.00 0.00 178.15 177.86 3fr9 n GLU 173 N -4.60 0.27 0.08 2.37 1.02 0.83 -0.39 120.64 120.21 3fr9 n GLU 173 Ca -0.03 0.12 -0.06 0.00 -0.02 0.00 0.00 57.16 57.17 3fr9 n GLU 173 Cb 0.23 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.11 3fr9 n GLU 173 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3fr9 h THR 174 N 0.00 1.63 0.00 2.62 1.35 -1.50 -3.16 112.91 113.86 3fr9 h THR 174 Ca 0.00 -3.04 -0.38 0.00 -0.55 0.00 0.00 66.41 62.44 3fr9 h THR 174 Cb 0.12 2.65 -0.07 0.00 -1.73 0.00 0.00 68.15 69.12 3fr9 h THR 174 CO 0.00 0.87 -2.41 1.17 -0.25 0.00 0.00 175.52 174.90 3fr9 n LYS 175 N -3.49 0.67 -3.65 4.72 3.00 -0.63 -4.80 118.16 113.97 3fr9 n LYS 175 Ca -0.01 0.09 -0.28 0.00 -0.00 0.00 0.00 58.31 58.11 3fr9 n LYS 175 Cb 0.85 -1.53 -0.12 0.00 0.00 0.00 0.00 35.03 34.23 3fr9 n LYS 175 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 3fr9 s TYR 176 N -2.51 2.05 0.45 5.64 1.51 0.47 -5.01 117.35 119.96 3fr9 s TYR 176 Ca -0.24 -2.58 0.12 0.00 -1.01 0.00 0.00 57.07 53.36 3fr9 s TYR 176 Cb 0.08 -1.76 1.04 0.00 -0.11 0.00 0.00 41.96 41.21 3fr9 s TYR 176 CO 0.70 -0.74 2.06 -1.35 -1.11 0.00 0.00 175.55 175.12 3fr9 h PRO 177 N 6.11 0.33 -0.44 -1.71 0.11 -1.78 -3.04 132.00 131.57 3fr9 h PRO 177 Ca 0.11 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3fr9 h PRO 177 Cb 0.88 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3fr9 h PRO 177 CO 0.50 0.22 0.00 0.45 -0.21 0.00 0.00 178.00 178.95 3fr9 n SER 178 N -4.49 2.34 0.01 -2.05 2.88 -1.26 -4.48 113.62 106.58 3fr9 n SER 178 Ca 0.03 -2.02 0.10 0.00 -1.33 0.00 0.00 58.87 55.65 3fr9 n SER 178 Cb 0.17 -0.30 0.44 0.00 -0.75 0.00 0.00 64.21 63.77 3fr9 n SER 178 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3fr9 n SER 179 N 0.73 0.08 -0.91 -3.46 3.41 -1.15 -2.66 113.62 109.66 3fr9 n SER 179 Ca 0.14 0.51 0.10 0.00 -0.26 0.00 0.00 58.87 59.37 3fr9 n SER 179 Cb 0.38 -0.53 0.14 0.00 -0.26 0.00 0.00 64.21 63.94 3fr9 n SER 179 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3fr9 n LEU 180 N -1.58 2.98 -0.22 1.04 4.77 -1.26 -4.62 117.00 118.11 3fr9 n LEU 180 Ca 0.05 -1.33 -0.01 0.00 -0.03 0.00 0.00 56.01 54.69 3fr9 n LEU 180 Cb 0.25 -0.13 0.10 0.00 -2.33 0.00 0.00 43.42 41.31 3fr9 n LEU 180 CO 0.19 0.61 1.06 0.50 -1.33 0.00 0.00 177.39 178.42 3fr9 h LYS 181 N 3.81 0.59 -0.46 3.23 3.64 -1.85 -2.62 116.57 122.91 3fr9 h LYS 181 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3fr9 h LYS 181 Cb 0.86 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 3fr9 h LYS 181 CO 0.00 0.39 0.00 0.09 -2.27 0.00 0.00 179.45 177.66 3fr9 n ASN 182 N -4.85 2.47 -3.61 4.20 3.02 -1.26 -4.59 115.26 110.64 3fr9 n ASN 182 Ca 0.09 -1.99 -0.28 0.00 -0.03 0.00 0.00 54.58 52.36 3fr9 n ASN 182 Cb 0.21 -0.30 -0.12 0.00 -0.61 0.00 0.00 39.78 38.96 3fr9 n ASN 182 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3fr9 s PHE 183 N -1.39 1.83 0.11 3.10 0.40 -0.99 -5.02 117.98 116.02 3fr9 s PHE 183 Ca 0.31 -2.46 -0.17 0.00 -0.60 0.00 0.00 56.93 54.01 3fr9 s PHE 183 Cb 0.16 -1.60 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 3fr9 s PHE 183 CO 0.21 -0.76 1.63 -1.35 0.70 0.00 0.00 175.22 175.65 3fr9 h PRO 184 N 6.16 0.51 -0.52 0.24 0.11 -1.81 0.53 132.00 137.22 3fr9 h PRO 184 Ca 0.12 -0.11 -0.12 0.00 0.11 0.00 0.00 66.00 66.00 3fr9 h PRO 184 Cb 0.89 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 3fr9 h PRO 184 CO 0.46 0.55 -0.14 -0.07 -0.21 0.00 0.00 178.00 178.60 3fr9 h LEU 185 N 0.37 1.03 -0.82 2.35 3.38 -1.94 0.57 115.31 120.25 3fr9 h LEU 185 Ca 0.10 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 3fr9 h LEU 185 Cb 0.26 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3fr9 h LEU 185 CO -0.00 1.15 -0.11 0.25 0.09 0.00 0.00 178.44 179.83 3fr9 h LEU 186 N 0.89 0.76 -0.30 1.67 5.85 -1.88 0.32 115.31 122.61 3fr9 h LEU 186 Ca 0.13 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 3fr9 h LEU 186 Cb 0.71 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3fr9 h LEU 186 CO 0.05 0.89 0.03 0.50 -0.34 0.00 0.00 178.44 179.57 3fr9 h LYS 187 N 0.70 0.51 -0.03 1.25 3.64 -0.65 -1.42 116.57 120.57 3fr9 h LYS 187 Ca 0.12 -0.15 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 3fr9 h LYS 187 Cb 0.58 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3fr9 h LYS 187 CO 0.04 0.63 -0.49 0.00 -2.27 0.00 0.00 179.45 177.36 3fr9 h ALA 188 N 0.86 1.13 -0.24 5.00 0.00 -0.65 -1.64 119.26 123.71 3fr9 h ALA 188 Ca 0.09 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 3fr9 h ALA 188 Cb 0.39 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3fr9 h ALA 188 CO 0.01 0.63 -0.01 1.25 0.00 0.00 0.00 179.25 181.12 3fr9 h HIS 189 N 0.06 0.48 -0.23 0.00 -0.00 -0.30 -0.13 115.15 115.03 3fr9 h HIS 189 Ca 0.00 -0.09 0.05 0.00 -0.00 0.00 0.00 60.37 60.33 3fr9 h HIS 189 Cb 0.89 -0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 28.13 3fr9 h HIS 189 CO 0.01 0.62 -0.05 -0.97 -0.00 0.00 0.00 177.93 177.53 3fr9 h ASN 190 N 0.20 -0.20 -0.30 3.26 -1.24 -1.08 0.03 115.58 116.25 3fr9 h ASN 190 Ca 0.07 0.07 -0.00 0.00 0.71 0.00 0.00 56.30 57.14 3fr9 h ASN 190 Cb 0.43 0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.61 3fr9 h ASN 190 CO 0.01 -0.07 0.17 -0.33 -1.29 0.00 0.00 177.43 175.93 3fr9 h GLU 191 N 0.01 0.42 0.07 6.67 5.08 -1.26 -0.18 114.58 125.39 3fr9 h GLU 191 Ca 0.11 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3fr9 h GLU 191 Cb 0.16 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3fr9 h GLU 191 CO -0.23 0.34 -0.09 0.35 -1.00 0.00 0.00 179.01 178.38 3fr9 h PHE 192 N 0.38 -0.24 -0.51 4.33 3.57 -0.83 -2.52 116.94 121.11 3fr9 h PHE 192 Ca 0.11 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 3fr9 h PHE 192 Cb 0.04 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 3fr9 h PHE 192 CO -0.04 -0.15 0.06 0.82 -2.23 0.00 0.00 178.31 176.78 3fr9 h ILE 193 N -0.20 1.25 0.00 1.41 1.08 -0.89 -2.81 117.51 117.36 3fr9 h ILE 193 Ca 0.01 -0.97 -0.01 0.00 -0.39 0.00 0.00 64.86 63.50 3fr9 h ILE 193 Cb 0.20 0.89 -0.00 0.00 -3.07 0.00 0.00 36.82 34.84 3fr9 h ILE 193 CO -0.04 0.35 -0.04 0.77 -0.69 0.00 0.00 178.15 178.49 3fr9 h SER 194 N 0.74 0.00 -0.55 1.72 4.64 -0.95 -2.77 113.55 116.37 3fr9 h SER 194 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3fr9 h SER 194 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3fr9 h SER 194 CO 0.01 0.04 0.00 0.59 -0.87 0.00 0.00 176.83 176.61 3fr9 n ASN 195 N -3.67 3.62 -4.75 4.97 5.03 -0.96 -3.09 115.26 116.41 3fr9 n ASN 195 Ca -0.02 -1.98 -0.41 0.00 0.87 0.00 0.00 54.58 53.03 3fr9 n ASN 195 Cb 0.14 -0.37 -0.02 0.00 -1.02 0.00 0.00 39.78 38.51 3fr9 n ASN 195 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3fr9 s LEU 196 N -1.16 4.38 0.20 3.41 1.43 -1.05 -4.69 118.68 121.21 3fr9 s LEU 196 Ca 0.42 2.74 -0.18 0.00 -1.03 0.00 0.00 54.13 56.08 3fr9 s LEU 196 Cb 0.23 -3.63 0.18 0.00 0.03 0.00 0.00 46.19 43.00 3fr9 s LEU 196 CO 0.30 -0.75 1.43 -2.65 0.23 0.00 0.00 176.35 174.91 3fr9 n PRO 197 N 2.26 -0.24 0.10 1.29 -0.02 -1.26 0.77 135.00 137.89 3fr9 n PRO 197 Ca 0.07 1.42 -0.05 0.00 -2.02 0.00 0.00 63.50 62.92 3fr9 n PRO 197 Cb 0.40 -2.10 0.06 0.00 -0.02 0.00 0.00 33.50 31.83 3fr9 n PRO 197 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3fr9 h ASN 198 N 0.00 0.15 0.10 2.55 4.21 -1.88 -3.34 115.58 117.38 3fr9 h ASN 198 Ca 0.30 -0.11 -0.18 0.00 1.21 0.00 0.00 56.30 57.52 3fr9 h ASN 198 Cb 0.53 -0.05 0.02 0.00 -1.12 0.00 0.00 38.32 37.70 3fr9 h ASN 198 CO -0.91 0.84 -0.76 0.40 -1.29 0.00 0.00 177.43 175.71 3fr9 h ILE 199 N 0.08 1.48 -0.36 2.81 1.08 -1.08 -3.33 117.51 118.18 3fr9 h ILE 199 Ca -0.02 -2.39 0.08 0.00 -0.39 0.00 0.00 64.86 62.13 3fr9 h ILE 199 Cb 1.32 3.01 -0.08 0.00 -3.07 0.00 0.00 36.82 38.00 3fr9 h ILE 199 CO 0.11 0.68 -0.14 0.50 -0.69 0.00 0.00 178.15 178.62 3fr9 h LYS 200 N -0.28 -0.06 -0.73 2.37 1.63 0.42 -2.35 116.57 117.57 3fr9 h LYS 200 Ca -0.12 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.63 3fr9 h LYS 200 Cb 1.55 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 33.16 3fr9 h LYS 200 CO 0.14 -0.04 0.26 -0.97 -3.45 0.00 0.00 179.45 175.39 3fr9 h ASN 201 N -0.06 1.05 -0.38 4.20 -0.73 -1.72 -2.34 115.58 115.59 3fr9 h ASN 201 Ca 0.18 -0.19 -0.04 0.00 1.87 0.00 0.00 56.30 58.12 3fr9 h ASN 201 Cb 0.34 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.64 3fr9 h ASN 201 CO -0.41 0.96 0.08 0.22 -0.37 0.00 0.00 177.43 177.91 3fr9 h TYR 202 N 1.08 0.66 -0.08 0.67 5.03 -1.57 -2.56 116.97 120.19 3fr9 h TYR 202 Ca 0.24 -0.08 -0.19 0.00 2.58 0.00 0.00 58.73 61.27 3fr9 h TYR 202 Cb 0.27 -0.18 -0.00 0.00 1.55 0.00 0.00 36.73 38.36 3fr9 h TYR 202 CO 0.02 0.65 -0.75 0.82 -1.32 0.00 0.00 178.16 177.58 3fr9 h ILE 203 N 0.48 1.37 0.00 1.81 2.04 -1.35 -0.62 117.51 121.24 3fr9 h ILE 203 Ca 0.12 -2.14 -0.03 0.00 1.00 0.00 0.00 64.86 63.80 3fr9 h ILE 203 Cb 0.33 2.12 -0.00 0.00 -0.74 0.00 0.00 36.82 38.53 3fr9 h ILE 203 CO 0.00 0.65 -0.15 0.00 0.00 0.00 0.00 178.15 178.65 3fr9 h THR 204 N 0.30 0.32 -0.09 -0.27 1.03 -1.47 -3.29 112.91 109.44 3fr9 h THR 204 Ca -0.04 -1.11 0.00 0.00 -0.01 0.00 0.00 66.41 65.26 3fr9 h THR 204 Cb 1.34 1.86 0.00 0.00 -1.07 0.00 0.00 68.15 70.28 3fr9 h THR 204 CO 0.13 0.15 0.00 0.59 -0.01 0.00 0.00 175.52 176.38 3fr9 n ASN 205 N -3.21 2.21 -4.86 0.00 3.02 -0.97 -4.99 115.26 106.47 3fr9 n ASN 205 Ca 0.02 -1.60 -0.31 0.00 -0.03 0.00 0.00 54.58 52.65 3fr9 n ASN 205 Cb 0.47 -0.05 -0.04 0.00 -0.61 0.00 0.00 39.78 39.55 3fr9 n ASN 205 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fr9 s ARG 206 N -1.01 3.91 0.00 3.52 1.70 -0.25 -5.04 118.95 121.77 3fr9 s ARG 206 Ca 0.16 0.65 0.32 0.00 -0.47 0.00 0.00 55.73 56.39 3fr9 s ARG 206 Cb 0.11 -2.36 1.90 0.00 -0.57 0.00 0.00 34.95 34.04 3fr9 s ARG 206 CO 0.16 -0.00 2.23 0.36 -1.08 0.00 0.00 175.30 176.96