#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fr9 s GLY 2 N 0.00 0.16 0.00 -5.12 0.00 -1.25 -4.86 107.32 96.25 3fr9 s GLY 2 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.18 3fr9 s GLY 2 CO 0.00 -0.17 0.00 2.09 0.00 0.00 0.00 173.10 175.02 3fr9 n ASP 3 N -0.99 0.00 -4.55 1.64 5.68 -1.26 -3.13 116.55 113.94 3fr9 n ASP 3 Ca -0.06 0.00 -0.38 0.00 -0.50 0.00 0.00 54.79 53.84 3fr9 n ASP 3 Cb 0.60 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.54 3fr9 n ASP 3 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 3fr9 s ASN 4 N -4.00 5.26 -0.25 -1.12 2.47 -1.26 -4.84 114.94 111.20 3fr9 s ASN 4 Ca 0.00 0.33 -0.21 0.00 0.42 0.00 0.00 52.86 53.40 3fr9 s ASN 4 Cb 0.00 -2.53 -0.02 0.00 -1.45 0.00 0.00 41.25 37.25 3fr9 s ASN 4 CO 0.00 -2.39 0.67 -0.63 -3.72 0.00 0.00 177.10 171.02 3fr9 s ILE 5 N 9.14 4.96 -0.13 -5.21 -1.09 -1.26 -1.71 121.20 125.90 3fr9 s ILE 5 Ca 0.68 1.22 0.00 0.00 -2.23 0.00 0.00 60.65 60.31 3fr9 s ILE 5 Cb -0.13 -3.97 0.02 0.00 -1.58 0.00 0.00 42.46 36.81 3fr9 s ILE 5 CO 0.20 0.02 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.13 3fr9 s VAL 6 N 2.52 1.30 -0.19 2.92 1.01 0.10 -0.47 120.40 127.60 3fr9 s VAL 6 Ca 0.28 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.66 3fr9 s VAL 6 Cb -0.15 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 3fr9 s VAL 6 CO 0.08 0.41 0.29 -0.22 0.00 0.00 0.00 175.10 175.67 3fr9 s LEU 7 N 1.54 4.20 -0.17 3.92 2.96 -0.25 0.02 118.68 130.90 3fr9 s LEU 7 Ca 0.04 0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 54.35 3fr9 s LEU 7 Cb -0.13 -2.35 -0.02 0.00 0.50 0.00 0.00 46.19 44.19 3fr9 s LEU 7 CO -0.09 0.05 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.64 3fr9 s TYR 8 N 0.78 2.98 0.33 5.38 1.51 0.63 -0.83 117.35 128.13 3fr9 s TYR 8 Ca 0.15 -0.49 -0.18 0.00 -1.01 0.00 0.00 57.07 55.55 3fr9 s TYR 8 Cb -0.13 -1.99 0.06 0.00 -0.11 0.00 0.00 41.96 39.79 3fr9 s TYR 8 CO 0.05 -0.19 0.85 -0.47 -1.11 0.00 0.00 175.55 174.68 3fr9 s TYR 9 N 0.67 0.09 0.83 2.71 6.14 -0.89 -1.79 117.35 125.12 3fr9 s TYR 9 Ca -0.03 -0.68 -0.12 0.00 0.64 0.00 0.00 57.07 56.88 3fr9 s TYR 9 Cb -0.15 0.80 0.09 0.00 0.42 0.00 0.00 41.96 43.12 3fr9 s TYR 9 CO 0.02 -1.39 1.12 -0.06 0.64 0.00 0.00 175.55 175.88 3fr9 s PHE 10 N -2.37 2.77 -1.36 4.97 0.40 -1.26 -0.53 117.98 120.60 3fr9 s PHE 10 Ca 0.17 0.98 -0.14 0.00 -0.60 0.00 0.00 56.93 57.34 3fr9 s PHE 10 Cb -0.04 -3.26 -0.01 0.00 0.51 0.00 0.00 43.02 40.21 3fr9 s PHE 10 CO 0.10 -1.94 2.28 -3.47 0.70 0.00 0.00 175.22 172.88 3fr9 n ASP 11 N -3.51 4.36 -3.78 1.36 4.64 -1.17 -4.53 116.55 113.93 3fr9 n ASP 11 Ca 0.07 -2.76 -0.09 0.00 -1.38 0.00 0.00 54.79 50.63 3fr9 n ASP 11 Cb 0.58 -1.54 -0.03 0.00 -1.04 0.00 0.00 41.12 39.09 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 3.34 -1.14 -0.03 -1.67 0.00 -1.26 -5.07 121.76 115.93 3fr9 s ALA 12 Ca 0.51 -0.21 -0.05 0.00 0.00 0.00 0.00 51.96 52.21 3fr9 s ALA 12 Cb 0.14 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 24.12 3fr9 s ALA 12 CO -0.05 -0.93 0.32 0.00 0.00 0.00 0.00 175.76 175.09 3fr9 h ARG 13 N 2.06 -0.16 0.00 0.00 3.08 -1.99 -3.45 114.38 113.91 3fr9 h ARG 13 Ca -0.24 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3fr9 h ARG 13 Cb 1.26 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.35 3fr9 h ARG 13 CO 0.29 -0.11 0.00 0.41 -1.07 0.00 0.00 179.97 179.49 3fr9 n GLY 14 N 1.09 2.31 0.35 0.04 0.00 -1.26 -1.47 105.19 106.25 3fr9 n GLY 14 Ca -0.02 0.23 0.13 0.00 0.00 0.00 0.00 46.02 46.35 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 1.07 -0.00 1.61 4.76 -1.26 -4.08 118.16 134.25 3fr9 n LYS 15 Ca 0.00 -0.71 0.08 0.00 -2.87 0.00 0.00 58.31 54.82 3fr9 n LYS 15 Cb 0.00 -1.49 -0.11 0.00 -1.84 0.00 0.00 35.03 31.60 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 -0.35 3.56 -0.28 7.82 0.00 -0.93 -4.68 120.51 125.65 3fr9 n ALA 16 Ca 0.12 -0.44 -0.04 0.00 0.00 0.00 0.00 53.44 53.08 3fr9 n ALA 16 Cb 0.38 -0.59 0.07 0.00 0.00 0.00 0.00 19.45 19.31 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 1.01 -0.50 0.00 4.57 -1.40 -1.56 114.58 116.70 3fr9 h GLU 17 Ca 0.00 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 3fr9 h GLU 17 Cb 0.54 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 3fr9 h GLU 17 CO 0.00 0.67 0.26 1.25 -1.18 0.00 0.00 179.01 180.01 3fr9 h LEU 18 N 1.04 0.64 -0.83 1.64 5.85 -1.86 0.12 115.31 121.92 3fr9 h LEU 18 Ca 0.28 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.96 3fr9 h LEU 18 Cb -0.12 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.69 3fr9 h LEU 18 CO -0.06 0.57 0.49 0.40 -0.34 0.00 0.00 178.44 179.50 3fr9 h ILE 19 N 0.66 0.99 -0.62 4.05 2.04 -1.76 0.16 117.51 123.03 3fr9 h ILE 19 Ca 0.17 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 3fr9 h ILE 19 Cb 0.08 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.17 3fr9 h ILE 19 CO -0.03 0.16 0.13 0.03 0.00 0.00 0.00 178.15 178.45 3fr9 h ARG 20 N 0.88 1.00 -0.54 2.37 3.08 -0.65 -0.69 114.38 119.84 3fr9 h ARG 20 Ca 0.37 -0.25 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 3fr9 h ARG 20 Cb 0.24 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3fr9 h ARG 20 CO -0.20 0.92 0.06 -0.07 -1.07 0.00 0.00 179.97 179.61 3fr9 h LEU 21 N 0.91 0.82 -0.31 3.04 3.38 -0.14 -0.75 115.31 122.27 3fr9 h LEU 21 Ca 0.19 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3fr9 h LEU 21 Cb 0.38 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3fr9 h LEU 21 CO 0.01 0.85 -0.03 0.40 0.09 0.00 0.00 178.44 179.76 3fr9 h ILE 22 N 0.82 1.27 -0.58 1.22 2.04 -0.41 0.89 117.51 122.76 3fr9 h ILE 22 Ca 0.17 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 3fr9 h ILE 22 Cb 0.40 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 3fr9 h ILE 22 CO 0.01 0.33 0.36 -0.26 0.00 0.00 0.00 178.15 178.59 3fr9 h PHE 23 N 0.35 0.76 0.03 1.37 0.04 -1.04 -1.45 116.94 117.00 3fr9 h PHE 23 Ca 0.08 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.85 3fr9 h PHE 23 Cb 0.49 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.39 3fr9 h PHE 23 CO 0.04 0.51 -0.01 0.00 -0.60 0.00 0.00 178.31 178.25 3fr9 h ALA 24 N 1.18 -0.03 -0.72 2.45 0.00 -0.97 -0.10 119.26 121.07 3fr9 h ALA 24 Ca 0.21 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3fr9 h ALA 24 Cb -0.03 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3fr9 h ALA 24 CO -0.04 -0.52 0.45 -0.92 0.00 0.00 0.00 179.25 178.23 3fr9 h TYR 25 N -0.04 0.84 0.00 0.00 3.20 -0.70 -2.80 116.97 117.47 3fr9 h TYR 25 Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3fr9 h TYR 25 Cb 0.03 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.03 3fr9 h TYR 25 CO -0.08 0.48 -0.16 1.28 -1.64 0.00 0.00 178.16 178.04 3fr9 n LEU 26 N -4.66 0.74 -1.28 2.82 4.77 -0.56 -4.87 117.00 113.97 3fr9 n LEU 26 Ca 0.08 0.48 -0.07 0.00 -0.03 0.00 0.00 56.01 56.47 3fr9 n LEU 26 Cb 0.09 -0.29 0.02 0.00 -2.33 0.00 0.00 43.42 40.91 3fr9 n LEU 26 CO 0.33 -0.14 0.05 0.61 -1.33 0.00 0.00 177.39 176.91 3fr9 n GLY 27 N 1.33 0.46 3.68 -0.72 0.00 -0.19 -5.02 105.19 104.73 3fr9 n GLY 27 Ca 0.05 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.97 5.15 -0.07 -0.61 1.01 -0.40 -5.04 121.20 118.27 3fr9 s ILE 28 Ca 0.14 0.89 -0.30 0.00 0.00 0.00 0.00 60.65 61.39 3fr9 s ILE 28 Cb -0.06 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 3fr9 s ILE 28 CO 0.18 0.23 1.21 -0.70 0.00 0.00 0.00 174.94 175.85 3fr9 s GLU 29 N 1.34 4.34 0.08 2.79 2.12 -1.26 -4.73 118.70 123.37 3fr9 s GLU 29 Ca 0.23 1.67 -0.14 0.00 0.36 0.00 0.00 54.97 57.09 3fr9 s GLU 29 Cb -0.15 -3.58 0.02 0.00 0.26 0.00 0.00 34.13 30.68 3fr9 s GLU 29 CO 0.09 -0.48 0.33 1.52 -0.54 0.00 0.00 175.26 176.19 3fr9 s TYR 30 N 2.36 -0.12 -0.35 5.30 1.13 -1.26 -4.57 117.35 119.84 3fr9 s TYR 30 Ca 0.56 -0.11 -0.21 0.00 -1.41 0.00 0.00 57.07 55.90 3fr9 s TYR 30 Cb -0.24 0.14 0.00 0.00 -1.10 0.00 0.00 41.96 40.76 3fr9 s TYR 30 CO 0.21 -0.58 0.67 0.99 -2.51 0.00 0.00 175.55 174.33 3fr9 s THR 31 N -3.15 4.86 -1.26 -3.49 2.01 0.38 -4.98 115.64 110.01 3fr9 s THR 31 Ca -0.01 0.73 -0.13 0.00 0.31 0.00 0.00 61.69 62.58 3fr9 s THR 31 Cb 0.01 -4.10 0.15 0.00 0.01 0.00 0.00 72.50 68.57 3fr9 s THR 31 CO -0.07 -0.31 1.64 -0.67 -0.69 0.00 0.00 174.62 174.52 3fr9 n ASP 32 N 6.10 5.06 -4.64 3.53 4.64 -1.26 -1.09 116.55 128.90 3fr9 n ASP 32 Ca -0.00 -2.99 -0.43 0.00 -1.38 0.00 0.00 54.79 49.99 3fr9 n ASP 32 Cb 0.48 -1.58 -0.02 0.00 -1.04 0.00 0.00 41.12 38.96 3fr9 n ASP 32 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 3fr9 s LYS 33 N 1.82 4.07 -0.09 -0.67 2.47 -0.01 -5.00 119.74 122.33 3fr9 s LYS 33 Ca 0.44 1.04 0.04 0.00 -1.56 0.00 0.00 55.97 55.93 3fr9 s LYS 33 Cb 0.02 -3.73 -0.01 0.00 -1.46 0.00 0.00 37.83 32.66 3fr9 s LYS 33 CO 0.01 -0.86 -0.21 1.03 0.16 0.00 0.00 175.35 175.49 3fr9 s ARG 34 N 3.54 2.95 0.24 4.03 0.52 -1.26 -2.09 118.95 126.89 3fr9 s ARG 34 Ca 0.44 -0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 54.53 3fr9 s ARG 34 Cb -0.13 -2.35 -0.09 0.00 0.52 0.00 0.00 34.95 32.90 3fr9 s ARG 34 CO 0.14 0.28 1.22 -0.06 0.02 0.00 0.00 175.30 176.91 3fr9 s PHE 35 N 0.11 3.35 0.11 -0.53 2.99 0.31 -4.78 117.98 119.55 3fr9 s PHE 35 Ca -0.10 1.45 0.00 0.00 0.00 0.00 0.00 56.93 58.28 3fr9 s PHE 35 Cb -0.16 -3.48 0.00 0.00 0.00 0.00 0.00 43.02 39.38 3fr9 s PHE 35 CO 0.06 -1.32 0.00 0.41 -0.00 0.00 0.00 175.22 174.37 3fr9 n GLY 36 N 1.71 -5.48 0.00 4.36 0.00 -1.26 -3.01 105.19 101.51 3fr9 n GLY 36 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3fr9 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fr9 n GLY 39 N 1.77 0.00 3.58 -0.02 0.00 -1.26 -4.73 105.19 104.52 3fr9 n GLY 39 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 6.50 0.20 1.61 2.15 -1.26 -4.95 116.67 120.92 3fr9 s ASP 40 Ca 0.00 0.24 -0.10 0.00 0.43 0.00 0.00 52.55 53.11 3fr9 s ASP 40 Cb 0.00 -2.38 0.20 0.00 -0.30 0.00 0.00 42.92 40.44 3fr9 s ASP 40 CO 0.00 -0.73 1.82 0.00 -0.17 0.00 0.00 175.17 176.09 3fr9 h ALA 41 N 8.55 0.86 -0.46 3.66 0.00 -1.85 0.13 119.26 130.15 3fr9 h ALA 41 Ca -0.25 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 3fr9 h ALA 41 Cb 1.10 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3fr9 h ALA 41 CO 0.90 0.10 -0.02 0.35 0.00 0.00 0.00 179.25 180.59 3fr9 h PHE 42 N 0.73 0.82 -0.04 0.00 3.57 -1.95 -0.15 116.94 119.93 3fr9 h PHE 42 Ca 0.28 -0.12 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 3fr9 h PHE 42 Cb 0.10 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.62 3fr9 h PHE 42 CO -0.06 0.77 -0.16 0.28 -2.23 0.00 0.00 178.31 176.91 3fr9 h VAL 43 N 0.72 1.47 -0.99 1.41 2.07 -1.89 -2.84 116.25 116.19 3fr9 h VAL 43 Ca 0.14 -1.62 0.03 0.00 0.82 0.00 0.00 66.70 66.07 3fr9 h VAL 43 Cb 0.46 2.43 -0.06 0.00 -1.52 0.00 0.00 31.29 32.60 3fr9 h VAL 43 CO 0.02 0.45 0.65 -0.33 0.02 0.00 0.00 177.57 178.38 3fr9 h GLU 44 N -0.39 1.23 -0.28 1.57 5.08 -0.59 -0.85 114.58 120.34 3fr9 h GLU 44 Ca -0.01 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 3fr9 h GLU 44 Cb 0.81 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3fr9 h GLU 44 CO 0.03 0.81 -0.30 0.35 -1.00 0.00 0.00 179.01 178.90 3fr9 h PHE 45 N 1.26 0.68 -0.66 4.33 -0.00 -1.11 0.10 116.94 121.55 3fr9 h PHE 45 Ca 0.39 -0.17 -0.07 0.00 -0.00 0.00 0.00 57.97 58.13 3fr9 h PHE 45 Cb -0.01 -0.16 -0.03 0.00 -0.00 0.00 0.00 35.95 35.75 3fr9 h PHE 45 CO -0.00 0.83 0.16 -0.22 -0.00 0.00 0.00 178.31 179.08 3fr9 h LYS 46 N 0.51 1.06 -0.34 1.11 3.64 -1.12 -1.72 116.57 119.71 3fr9 h LYS 46 Ca 0.06 -0.26 -0.14 0.00 -1.27 0.00 0.00 60.65 59.05 3fr9 h LYS 46 Cb 0.78 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 3fr9 h LYS 46 CO 0.06 0.95 -0.34 -0.91 -2.27 0.00 0.00 179.45 176.94 3fr9 h ASN 47 N 0.98 0.81 -0.58 4.20 2.35 -0.99 -2.90 115.58 119.47 3fr9 h ASN 47 Ca 0.21 -0.34 0.03 0.00 -0.55 0.00 0.00 56.30 55.65 3fr9 h ASN 47 Cb 0.37 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 3fr9 h ASN 47 CO 0.00 1.08 0.34 0.15 -1.65 0.00 0.00 177.43 177.35 3fr9 h PHE 48 N 0.65 0.63 -0.32 1.19 3.04 -0.60 0.24 116.94 121.77 3fr9 h PHE 48 Ca 0.07 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.97 3fr9 h PHE 48 Cb 0.88 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.17 3fr9 h PHE 48 CO 0.05 0.35 -0.09 0.87 -2.02 0.00 0.00 178.31 177.46 3fr9 h LYS 49 N 0.66 0.53 -0.21 1.11 1.57 -1.29 0.19 116.57 119.14 3fr9 h LYS 49 Ca 0.24 -0.14 -0.20 0.00 -1.87 0.00 0.00 60.65 58.68 3fr9 h LYS 49 Cb 0.06 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3fr9 h LYS 49 CO -0.12 0.62 -0.65 0.87 -0.57 0.00 0.00 179.45 179.60 3fr9 h LYS 50 N 0.49 0.77 0.12 3.15 1.57 -1.25 -3.33 116.57 118.09 3fr9 h LYS 50 Ca 0.09 -0.55 -0.27 0.00 -1.87 0.00 0.00 60.65 58.05 3fr9 h LYS 50 Cb 0.46 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3fr9 h LYS 50 CO 0.02 1.17 -1.23 0.93 -0.57 0.00 0.00 179.45 179.78 3fr9 h GLU 51 N 0.56 0.27 -6.11 3.15 5.08 -0.69 -3.46 114.58 113.37 3fr9 h GLU 51 Ca -0.02 -0.45 -0.67 0.00 -1.00 0.00 0.00 59.36 57.22 3fr9 h GLU 51 Cb 1.26 0.17 -0.14 0.00 0.50 0.00 0.00 28.75 30.53 3fr9 h GLU 51 CO 0.14 1.21 -0.64 0.15 -1.00 0.00 0.00 179.01 178.87 3fr9 s LYS 52 N -2.67 2.83 -1.11 2.33 3.01 0.65 -5.05 119.74 119.73 3fr9 s LYS 52 Ca -0.04 -0.56 -0.16 0.00 -1.01 0.00 0.00 55.97 54.20 3fr9 s LYS 52 Cb 0.07 -2.69 0.15 0.00 -1.01 0.00 0.00 37.83 34.34 3fr9 s LYS 52 CO 0.88 0.65 1.35 0.34 0.51 0.00 0.00 175.35 179.08 3fr9 s ASP 53 N -1.35 6.88 0.11 2.83 3.68 -1.26 -4.64 116.67 122.92 3fr9 s ASP 53 Ca 0.18 -2.57 -0.17 0.00 2.13 0.00 0.00 52.55 52.12 3fr9 s ASP 53 Cb -0.11 -2.42 -0.07 0.00 -1.45 0.00 0.00 42.92 38.87 3fr9 s ASP 53 CO 0.08 -0.91 0.55 0.42 0.13 0.00 0.00 175.17 175.43 3fr9 s THR 54 N 2.28 4.81 0.21 1.71 -4.23 -1.26 -4.95 115.64 114.20 3fr9 s THR 54 Ca 0.40 1.01 0.03 0.00 -1.18 0.00 0.00 61.69 61.96 3fr9 s THR 54 Cb -0.03 -3.81 -0.08 0.00 1.34 0.00 0.00 72.50 69.92 3fr9 s THR 54 CO -0.03 0.41 1.50 1.55 -0.54 0.00 0.00 174.62 177.50 3fr9 h PRO 55 N 4.07 0.24 0.00 3.99 0.13 -1.94 -3.36 132.00 135.14 3fr9 h PRO 55 Ca -0.49 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 3fr9 h PRO 55 Cb 1.20 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3fr9 h PRO 55 CO 0.64 0.84 -0.03 1.19 -0.23 0.00 0.00 178.00 180.41 3fr9 n PHE 56 N -3.81 0.00 -2.79 1.56 3.01 -1.26 -5.00 117.46 109.17 3fr9 n PHE 56 Ca -0.03 -0.39 -0.21 0.00 1.01 0.00 0.00 57.45 57.83 3fr9 n PHE 56 Cb 0.68 -0.05 0.01 0.00 -0.01 0.00 0.00 39.48 40.11 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 -0.45 -3.39 -4.34 -1.08 1.02 -1.26 -4.99 120.64 106.16 3fr9 n GLU 57 Ca 0.02 0.86 -0.25 0.00 -0.02 0.00 0.00 57.16 57.76 3fr9 n GLU 57 Cb 0.39 -5.61 -0.12 0.00 -0.02 0.00 0.00 31.44 26.08 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 -5.45 1.27 0.16 3.49 -0.21 -1.26 -5.08 119.66 112.58 3fr9 s GLN 58 Ca 0.18 -1.30 0.05 0.00 0.02 0.00 0.00 55.36 54.31 3fr9 s GLN 58 Cb -0.08 -1.58 -0.04 0.00 1.00 0.00 0.00 33.01 32.31 3fr9 s GLN 58 CO 0.22 0.36 0.11 0.14 -2.12 0.00 0.00 175.29 174.00 3fr9 s VAL 59 N -1.35 4.37 0.36 1.09 -7.23 -1.26 -4.49 120.40 111.89 3fr9 s VAL 59 Ca 0.12 -1.10 -0.26 0.00 -1.81 0.00 0.00 61.98 58.93 3fr9 s VAL 59 Cb -0.09 -3.21 -0.09 0.00 0.56 0.00 0.00 36.38 33.55 3fr9 s VAL 59 CO 0.06 -0.08 1.10 -2.84 -0.31 0.00 0.00 175.10 173.03 3fr9 s PRO 60 N -2.99 4.31 -0.13 4.82 0.02 -1.26 -4.94 135.00 134.83 3fr9 s PRO 60 Ca 0.30 1.71 0.02 0.00 0.02 0.00 0.00 61.00 63.05 3fr9 s PRO 60 Cb -0.10 -2.81 0.00 0.00 0.02 0.00 0.00 34.50 31.60 3fr9 s PRO 60 CO 0.22 -0.06 -0.20 0.42 -0.33 0.00 0.00 177.00 177.06 3fr9 s ILE 61 N -1.41 2.32 -0.31 2.83 -1.09 -0.74 -3.79 121.20 119.02 3fr9 s ILE 61 Ca 0.53 -0.91 -0.09 0.00 -2.23 0.00 0.00 60.65 57.95 3fr9 s ILE 61 Cb -0.28 -1.93 -0.00 0.00 -1.58 0.00 0.00 42.46 38.67 3fr9 s ILE 61 CO 0.35 0.54 0.13 -0.22 -1.23 0.00 0.00 174.94 174.52 3fr9 s LEU 62 N 0.56 4.04 -0.30 2.97 0.20 0.90 -0.27 118.68 126.78 3fr9 s LEU 62 Ca -0.12 -0.60 -0.10 0.00 0.69 0.00 0.00 54.13 54.01 3fr9 s LEU 62 Cb -0.16 -1.96 -0.01 0.00 -0.43 0.00 0.00 46.19 43.62 3fr9 s LEU 62 CO 0.04 -0.20 0.16 -1.58 -0.29 0.00 0.00 176.35 174.48 3fr9 s GLN 63 N 1.57 3.45 -0.43 1.98 0.74 0.10 0.13 119.66 127.20 3fr9 s GLN 63 Ca 0.04 -0.64 -0.07 0.00 0.05 0.00 0.00 55.36 54.74 3fr9 s GLN 63 Cb -0.17 -3.57 0.11 0.00 1.10 0.00 0.00 33.01 30.47 3fr9 s GLN 63 CO 0.05 -0.37 0.27 0.42 -0.55 0.00 0.00 175.29 175.11 3fr9 s ILE 64 N 1.64 3.87 0.00 -2.34 1.01 -0.34 0.03 121.20 125.07 3fr9 s ILE 64 Ca 0.05 -1.78 0.00 0.00 0.00 0.00 0.00 60.65 58.92 3fr9 s ILE 64 Cb -0.17 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.77 3fr9 s ILE 64 CO 0.07 -0.67 0.00 0.61 0.00 0.00 0.00 174.94 174.95 3fr9 n GLY 65 N 4.80 2.05 0.57 6.18 0.00 -0.69 -1.14 105.19 116.95 3fr9 n GLY 65 Ca -0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 10.39 2.35 -4.70 1.61 10.43 -1.26 -4.69 116.55 130.68 3fr9 n ASP 66 Ca 0.00 -1.67 -0.41 0.00 2.57 0.00 0.00 54.79 55.28 3fr9 n ASP 66 Cb 0.00 -0.08 -0.04 0.00 1.84 0.00 0.00 41.12 42.84 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 -1.03 4.30 -0.25 0.64 2.96 -0.57 -4.86 118.68 119.87 3fr9 s LEU 67 Ca 0.18 1.42 -0.09 0.00 -0.22 0.00 0.00 54.13 55.42 3fr9 s LEU 67 Cb 0.11 -3.38 -0.04 0.00 0.50 0.00 0.00 46.19 43.39 3fr9 s LEU 67 CO 0.16 -0.28 0.13 -0.63 -1.32 0.00 0.00 176.35 174.41 3fr9 s ILE 68 N 1.35 4.94 -0.10 6.68 -1.09 -1.26 -1.20 121.20 130.53 3fr9 s ILE 68 Ca 0.45 0.04 0.01 0.00 -2.23 0.00 0.00 60.65 58.92 3fr9 s ILE 68 Cb -0.19 -3.32 -0.02 0.00 -1.58 0.00 0.00 42.46 37.35 3fr9 s ILE 68 CO 0.21 0.32 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.36 3fr9 s LEU 69 N 1.43 2.84 0.35 2.97 1.43 0.12 -4.98 118.68 122.83 3fr9 s LEU 69 Ca 0.06 -0.23 0.05 0.00 -1.03 0.00 0.00 54.13 52.98 3fr9 s LEU 69 Cb -0.15 -1.63 -0.07 0.00 0.03 0.00 0.00 46.19 44.38 3fr9 s LEU 69 CO 0.06 0.24 0.03 0.00 0.23 0.00 0.00 176.35 176.91 3fr9 s ALA 70 N -0.08 2.60 0.01 4.21 0.00 -1.26 -0.07 121.76 127.17 3fr9 s ALA 70 Ca -0.01 -2.12 0.00 0.00 0.00 0.00 0.00 51.96 49.83 3fr9 s ALA 70 Cb -0.14 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.45 3fr9 s ALA 70 CO 0.03 -0.23 0.00 1.04 0.00 0.00 0.00 175.76 176.61 3fr9 n GLN 71 N -0.76 -1.84 -0.16 0.00 1.13 -1.25 -4.31 117.38 110.20 3fr9 n GLN 71 Ca -0.03 1.66 -0.05 0.00 -1.94 0.00 0.00 57.00 56.64 3fr9 n GLN 71 Cb 0.66 -1.99 0.02 0.00 0.11 0.00 0.00 30.24 29.04 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 1.51 -0.82 -0.48 1.08 0.02 -1.84 0.08 113.55 113.09 3fr9 h SER 72 Ca 0.00 0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 3fr9 h SER 72 Cb 0.00 0.44 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 3fr9 h SER 72 CO 0.00 -0.26 0.19 1.56 -1.14 0.00 0.00 176.83 177.18 3fr9 h GLN 73 N -0.13 0.71 -0.62 3.45 4.20 -1.91 0.10 115.11 120.91 3fr9 h GLN 73 Ca 0.23 -0.13 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 3fr9 h GLN 73 Cb 0.48 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 3fr9 h GLN 73 CO -0.57 0.64 0.08 0.00 -0.67 0.00 0.00 178.83 178.30 3fr9 h ALA 74 N 1.04 0.97 -0.14 3.87 0.00 -1.71 -0.12 119.26 123.17 3fr9 h ALA 74 Ca 0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3fr9 h ALA 74 Cb 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3fr9 h ALA 74 CO -0.01 0.64 0.02 0.82 0.00 0.00 0.00 179.25 180.72 3fr9 h ILE 75 N 0.95 1.22 -0.14 0.00 2.04 -0.63 -0.49 117.51 120.46 3fr9 h ILE 75 Ca 0.19 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.39 3fr9 h ILE 75 Cb 0.45 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 3fr9 h ILE 75 CO 0.02 0.20 -0.09 0.58 0.00 0.00 0.00 178.15 178.86 3fr9 h VAL 76 N 0.01 0.73 -0.81 1.67 2.07 -0.63 0.11 116.25 119.40 3fr9 h VAL 76 Ca 0.04 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 3fr9 h VAL 76 Cb 0.29 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3fr9 h VAL 76 CO 0.00 0.00 0.35 0.03 0.02 0.00 0.00 177.57 177.97 3fr9 h ARG 77 N -0.09 1.18 -0.25 1.57 3.08 -0.98 -0.13 114.38 118.76 3fr9 h ARG 77 Ca 0.08 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 3fr9 h ARG 77 Cb 0.22 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3fr9 h ARG 77 CO -0.20 0.94 0.12 -0.92 -1.07 0.00 0.00 179.97 178.84 3fr9 h TYR 78 N 1.16 0.36 -0.50 3.04 5.03 -0.78 -2.45 116.97 122.83 3fr9 h TYR 78 Ca 0.27 -0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.52 3fr9 h TYR 78 Cb 0.17 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.32 3fr9 h TYR 78 CO 0.02 0.35 0.14 -0.07 -1.32 0.00 0.00 178.16 177.28 3fr9 h LEU 79 N 0.26 0.70 -0.52 2.82 4.07 -0.46 -1.81 115.31 120.37 3fr9 h LEU 79 Ca 0.08 -0.11 -0.16 0.00 0.08 0.00 0.00 57.88 57.77 3fr9 h LEU 79 Cb 0.13 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 3fr9 h LEU 79 CO -0.01 0.68 -0.59 0.77 -1.08 0.00 0.00 178.44 178.21 3fr9 h SER 80 N 0.73 0.54 -0.02 -0.43 4.64 -0.93 -1.82 113.55 116.26 3fr9 h SER 80 Ca 0.17 -0.30 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 3fr9 h SER 80 Cb 0.24 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3fr9 h SER 80 CO -0.01 1.01 -0.04 0.11 -0.87 0.00 0.00 176.83 177.03 3fr9 h LYS 81 N 0.36 0.06 -0.02 4.77 1.57 -1.28 0.20 116.57 122.24 3fr9 h LYS 81 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3fr9 h LYS 81 Cb 1.13 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 3fr9 h LYS 81 CO 0.11 0.62 0.01 0.87 -0.57 0.00 0.00 179.45 180.49 3fr9 h LYS 82 N -0.49 0.00 -0.11 3.15 1.57 -1.34 -3.05 116.57 116.29 3fr9 h LYS 82 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fr9 h LYS 82 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3fr9 h LYS 82 CO 0.01 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.55 3fr9 n TYR 83 N -4.51 0.15 -3.10 -1.35 4.02 -0.69 -5.03 117.16 106.65 3fr9 n TYR 83 Ca -0.03 -0.37 -0.13 0.00 -0.01 0.00 0.00 57.90 57.36 3fr9 n TYR 83 Cb 0.11 -0.03 0.07 0.00 -0.02 0.00 0.00 39.34 39.46 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 0.02 -2.57 -1.77 7.72 2.85 0.20 -4.94 115.26 116.77 3fr9 n ASN 84 Ca 0.04 -0.45 -0.10 0.00 -0.11 0.00 0.00 54.58 53.97 3fr9 n ASN 84 Cb 0.27 -3.92 0.07 0.00 1.24 0.00 0.00 39.78 37.45 3fr9 n ASN 84 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 3fr9 n ILE 85 N -3.49 2.00 -0.06 -1.44 -5.35 0.45 -4.86 119.36 106.60 3fr9 n ILE 85 Ca -0.18 -3.46 -0.08 0.00 -0.27 0.00 0.00 62.75 58.76 3fr9 n ILE 85 Cb 0.61 -0.29 -0.15 0.00 -1.74 0.00 0.00 39.64 38.07 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 1.64 4.26 0.48 0.00 0.00 -1.26 -4.32 105.19 105.98 3fr9 n GLY 87 Ca -0.25 -0.92 0.06 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.30 1.61 -3.85 1.61 1.02 -1.26 -4.60 120.64 114.86 3fr9 n GLU 88 Ca 0.00 -0.93 -0.08 0.00 -0.02 0.00 0.00 57.16 56.13 3fr9 n GLU 88 Cb 0.00 -1.26 -0.00 0.00 -0.02 0.00 0.00 31.44 30.15 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 -1.19 -0.13 0.11 1.62 1.04 -1.26 -5.00 113.70 108.89 3fr9 s SER 89 Ca 0.23 -0.85 -0.22 0.00 0.48 0.00 0.00 55.95 55.59 3fr9 s SER 89 Cb 0.12 0.77 -0.09 0.00 0.10 0.00 0.00 66.02 66.92 3fr9 s SER 89 CO 0.17 -1.48 1.72 -0.08 0.98 0.00 0.00 173.24 174.55 3fr9 h GLU 90 N 2.01 -0.01 0.00 4.02 4.81 -2.00 -0.33 114.58 123.08 3fr9 h GLU 90 Ca -0.25 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.81 3fr9 h GLU 90 Cb 1.25 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 3fr9 h GLU 90 CO 0.31 -0.01 -0.81 1.25 -0.73 0.00 0.00 179.01 179.01 3fr9 h LEU 91 N -0.01 0.03 -1.05 1.64 5.85 -1.98 -2.60 115.31 117.18 3fr9 h LEU 91 Ca 0.05 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 3fr9 h LEU 91 Cb 0.08 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3fr9 h LEU 91 CO -0.10 0.83 0.17 0.78 -0.34 0.00 0.00 178.44 179.78 3fr9 h ASN 92 N 0.01 0.78 -0.72 1.25 -0.26 -1.90 -1.17 115.58 113.57 3fr9 h ASN 92 Ca -0.01 -0.13 -0.06 0.00 -0.56 0.00 0.00 56.30 55.54 3fr9 h ASN 92 Cb 1.44 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 38.46 3fr9 h ASN 92 CO 0.11 0.75 0.22 -0.08 -1.06 0.00 0.00 177.43 177.36 3fr9 h GLU 93 N 0.82 1.13 0.10 0.81 4.57 -0.92 -2.00 114.58 119.09 3fr9 h GLU 93 Ca 0.19 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3fr9 h GLU 93 Cb 0.25 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 3fr9 h GLU 93 CO -0.01 0.97 -0.05 0.35 -1.18 0.00 0.00 179.01 179.09 3fr9 h PHE 94 N 1.07 -0.13 -0.86 0.92 3.57 -1.06 -1.80 116.94 118.65 3fr9 h PHE 94 Ca 0.23 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 3fr9 h PHE 94 Cb 0.31 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 3fr9 h PHE 94 CO 0.03 -0.06 0.45 1.88 -2.23 0.00 0.00 178.31 178.38 3fr9 h TYR 95 N -0.15 1.20 -0.66 0.41 0.05 -1.16 0.46 116.97 117.11 3fr9 h TYR 95 Ca -0.01 -0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.74 3fr9 h TYR 95 Cb 0.12 -0.38 -0.03 0.00 1.01 0.00 0.00 36.73 37.45 3fr9 h TYR 95 CO -0.07 0.84 0.44 0.00 -1.05 0.00 0.00 178.16 178.32 3fr9 h ALA 96 N 1.28 0.84 -0.40 3.88 0.00 -1.33 0.32 119.26 123.84 3fr9 h ALA 96 Ca 0.30 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3fr9 h ALA 96 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3fr9 h ALA 96 CO -0.05 0.27 0.02 0.22 0.00 0.00 0.00 179.25 179.71 3fr9 h ASP 97 N 0.90 0.68 -0.21 0.00 -0.00 -0.41 -0.45 116.42 116.92 3fr9 h ASP 97 Ca 0.24 -0.30 0.01 0.00 -0.00 0.00 0.00 57.03 56.99 3fr9 h ASP 97 Cb -0.10 -0.18 -0.02 0.00 -0.00 0.00 0.00 39.33 39.03 3fr9 h ASP 97 CO -0.05 0.81 0.11 -0.03 -0.00 0.00 0.00 179.24 180.08 3fr9 h MET 98 N 0.53 0.23 -0.59 0.28 4.05 0.12 0.20 114.93 119.75 3fr9 h MET 98 Ca 0.12 -0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.45 3fr9 h MET 98 Cb 0.45 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.18 3fr9 h MET 98 CO 0.02 0.15 0.09 0.82 0.23 0.00 0.00 176.91 178.22 3fr9 h ILE 99 N 0.24 1.25 -0.51 1.77 2.04 -0.86 0.55 117.51 121.98 3fr9 h ILE 99 Ca 0.09 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 3fr9 h ILE 99 Cb 0.01 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3fr9 h ILE 99 CO -0.05 0.36 0.26 0.15 0.00 0.00 0.00 178.15 178.87 3fr9 h PHE 100 N 0.90 0.71 -0.25 1.37 3.57 -0.76 0.10 116.94 122.58 3fr9 h PHE 100 Ca 0.18 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 3fr9 h PHE 100 Cb 0.40 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 3fr9 h PHE 100 CO 0.03 0.54 -0.07 0.00 -2.23 0.00 0.00 178.31 176.58 3fr9 h GLY 102 N 0.79 0.92 0.70 0.00 0.00 -0.42 -2.69 103.07 102.37 3fr9 h GLY 102 Ca 0.08 -0.82 0.06 0.00 0.00 0.00 0.00 47.33 46.65 3fr9 h GLY 102 CO 0.02 0.74 0.43 -2.08 0.00 0.00 0.00 176.54 175.65 3fr9 h VAL 103 N 0.67 1.00 -0.61 4.60 2.07 -0.42 -2.59 116.25 120.97 3fr9 h VAL 103 Ca 0.09 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 3fr9 h VAL 103 Cb 0.73 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3fr9 h VAL 103 CO 0.06 0.14 0.20 1.56 0.02 0.00 0.00 177.57 179.55 3fr9 h GLN 104 N 0.79 0.93 -0.19 1.57 1.08 -1.22 0.35 115.11 118.42 3fr9 h GLN 104 Ca 0.33 -0.17 0.02 0.00 -1.45 0.00 0.00 58.65 57.37 3fr9 h GLN 104 Cb 0.18 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 3fr9 h GLN 104 CO -0.18 0.79 0.06 -0.44 -0.95 0.00 0.00 178.83 178.12 3fr9 h ASP 105 N 0.90 0.07 0.71 1.46 3.45 -1.13 -1.01 116.42 120.87 3fr9 h ASP 105 Ca 0.20 0.02 -0.26 0.00 0.43 0.00 0.00 57.03 57.42 3fr9 h ASP 105 Cb 0.25 0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 39.01 3fr9 h ASP 105 CO -0.01 0.07 -1.31 -0.29 -1.57 0.00 0.00 179.24 176.13 3fr9 h ILE 106 N 0.15 1.37 -0.80 0.35 6.09 -1.33 -3.12 117.51 120.23 3fr9 h ILE 106 Ca 0.08 -3.08 -0.05 0.00 -1.37 0.00 0.00 64.86 60.45 3fr9 h ILE 106 Cb 0.05 2.75 -0.04 0.00 0.47 0.00 0.00 36.82 40.06 3fr9 h ILE 106 CO -0.08 0.83 0.32 -0.74 -3.07 0.00 0.00 178.15 175.40 3fr9 h HIS 107 N 0.03 1.22 -0.63 2.19 2.76 -0.29 -0.03 115.15 120.40 3fr9 h HIS 107 Ca -0.14 -0.09 0.05 0.00 -2.20 0.00 0.00 60.37 57.99 3fr9 h HIS 107 Cb 1.91 -0.37 -0.05 0.00 1.55 0.00 0.00 27.41 30.45 3fr9 h HIS 107 CO 0.02 0.92 0.35 -0.92 -1.30 0.00 0.00 177.93 177.01 3fr9 h TYR 108 N 1.17 0.65 -0.41 5.26 3.20 -1.25 0.15 116.97 125.74 3fr9 h TYR 108 Ca 0.27 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.08 3fr9 h TYR 108 Cb 0.22 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 3fr9 h TYR 108 CO 0.02 0.33 -0.09 0.87 -1.64 0.00 0.00 178.16 177.65 3fr9 h LYS 109 N 0.67 0.71 -0.21 1.82 1.57 -1.36 -1.38 116.57 118.39 3fr9 h LYS 109 Ca 0.27 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 3fr9 h LYS 109 Cb 0.14 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3fr9 h LYS 109 CO -0.16 0.79 -0.01 0.35 -0.57 0.00 0.00 179.45 179.85 3fr9 h PHE 110 N 0.65 0.42 -0.73 -1.35 3.04 -0.57 -3.20 116.94 115.21 3fr9 h PHE 110 Ca 0.12 -0.08 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 3fr9 h PHE 110 Cb 0.54 -0.11 -0.04 0.00 2.56 0.00 0.00 35.95 38.90 3fr9 h PHE 110 CO 0.03 0.59 0.43 -0.91 -2.02 0.00 0.00 178.31 176.42 3fr9 h ASN 111 N 0.14 0.87 -0.94 0.41 2.35 -0.51 0.14 115.58 118.04 3fr9 h ASN 111 Ca 0.06 -0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 3fr9 h ASN 111 Cb 0.43 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.52 3fr9 h ASN 111 CO 0.01 0.68 0.62 0.78 -1.65 0.00 0.00 177.43 177.87 3fr9 h ASN 112 N 1.00 1.04 0.07 5.81 2.35 -1.27 -0.07 115.58 124.51 3fr9 h ASN 112 Ca 0.26 -0.02 -0.23 0.00 -0.55 0.00 0.00 56.30 55.77 3fr9 h ASN 112 Cb -0.03 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 3fr9 h ASN 112 CO -0.05 0.73 -1.19 0.00 -1.65 0.00 0.00 177.43 175.27 3fr9 h THR 113 N 1.22 1.09 -0.52 2.81 1.03 -1.49 -2.07 112.91 114.98 3fr9 h THR 113 Ca 0.37 -2.33 -0.07 0.00 -0.01 0.00 0.00 66.41 64.37 3fr9 h THR 113 Cb -0.04 2.67 -0.02 0.00 -1.07 0.00 0.00 68.15 69.69 3fr9 h THR 113 CO -0.10 0.59 0.06 -1.13 -0.01 0.00 0.00 175.52 174.92 3fr9 h ASN 114 N -0.58 0.79 0.00 0.00 -1.24 -0.74 -3.21 115.58 110.60 3fr9 h ASN 114 Ca -0.28 -0.17 -0.18 0.00 0.71 0.00 0.00 56.30 56.38 3fr9 h ASN 114 Cb 1.54 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 40.35 3fr9 h ASN 114 CO -0.02 0.82 -1.67 0.18 -1.29 0.00 0.00 177.43 175.44 3fr9 n LEU 115 N -4.24 2.71 -1.42 0.34 4.77 -0.06 -4.73 117.00 114.37 3fr9 n LEU 115 Ca 0.03 -0.06 -0.02 0.00 -0.03 0.00 0.00 56.01 55.94 3fr9 n LEU 115 Cb 0.27 -0.36 0.26 0.00 -2.33 0.00 0.00 43.42 41.26 3fr9 n LEU 115 CO 0.41 0.66 0.85 0.49 -1.33 0.00 0.00 177.39 178.47 3fr9 n PHE 116 N -2.80 1.62 -1.52 -1.77 3.01 -1.06 -4.96 117.46 109.97 3fr9 n PHE 116 Ca -0.20 -1.24 -0.18 0.00 1.01 0.00 0.00 57.45 56.84 3fr9 n PHE 116 Cb 0.73 -0.53 -0.08 0.00 -0.01 0.00 0.00 39.48 39.60 3fr9 n PHE 116 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3fr9 n LYS 117 N -0.60 -1.36 -2.21 -1.08 5.02 -1.12 -4.84 118.16 111.97 3fr9 n LYS 117 Ca 0.33 1.13 -0.34 0.00 -2.02 0.00 0.00 58.31 57.40 3fr9 n LYS 117 Cb 1.15 -5.44 0.00 0.00 -0.02 0.00 0.00 35.03 30.72 3fr9 n LYS 117 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3fr9 s GLN 118 N -3.50 3.34 0.15 1.97 -1.52 -0.80 -4.94 119.66 114.35 3fr9 s GLN 118 Ca 0.00 1.52 -0.33 0.00 -1.95 0.00 0.00 55.36 54.60 3fr9 s GLN 118 Cb 0.00 -2.01 -0.12 0.00 -0.22 0.00 0.00 33.01 30.66 3fr9 s GLN 118 CO 0.00 -0.84 1.72 -1.71 -0.25 0.00 0.00 175.29 174.21 3fr9 n ASN 119 N -1.46 3.69 0.22 5.90 2.85 -1.26 -4.42 115.26 120.78 3fr9 n ASN 119 Ca 0.11 1.04 0.10 0.00 -0.11 0.00 0.00 54.58 55.72 3fr9 n ASN 119 Cb 0.51 -1.51 0.42 0.00 1.24 0.00 0.00 39.78 40.44 3fr9 n ASN 119 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 3fr9 h GLU 120 N 7.18 0.00 -0.19 1.20 4.11 -1.92 -3.34 114.58 121.63 3fr9 h GLU 120 Ca -0.45 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.01 3fr9 h GLU 120 Cb 1.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 3fr9 h GLU 120 CO 0.93 0.21 0.04 1.79 0.07 0.00 0.00 179.01 182.05 3fr9 h THR 121 N 0.00 0.91 -0.72 -1.06 1.35 -1.98 0.07 112.91 111.49 3fr9 h THR 121 Ca -0.00 -0.04 0.02 0.00 -0.55 0.00 0.00 66.41 65.84 3fr9 h THR 121 Cb 0.81 0.79 -0.04 0.00 -1.73 0.00 0.00 68.15 67.98 3fr9 h THR 121 CO 0.03 0.02 0.48 0.00 -0.25 0.00 0.00 175.52 175.79 3fr9 h THR 122 N 0.11 1.14 -0.08 6.82 1.03 -1.98 0.27 112.91 120.23 3fr9 h THR 122 Ca 0.09 -0.32 -0.06 0.00 -0.01 0.00 0.00 66.41 66.11 3fr9 h THR 122 Cb 0.08 0.14 0.00 0.00 -1.07 0.00 0.00 68.15 67.30 3fr9 h THR 122 CO -0.11 0.17 -0.18 0.15 -0.01 0.00 0.00 175.52 175.53 3fr9 h PHE 123 N 0.92 0.33 -0.19 0.00 3.57 -1.64 -1.61 116.94 118.32 3fr9 h PHE 123 Ca 0.28 -0.12 -0.10 0.00 3.53 0.00 0.00 57.97 61.55 3fr9 h PHE 123 Cb -0.02 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 3fr9 h PHE 123 CO -0.00 0.79 -0.31 -0.07 -2.23 0.00 0.00 178.31 176.49 3fr9 h LEU 124 N -0.23 0.38 0.00 0.59 4.07 -0.52 0.43 115.31 120.03 3fr9 h LEU 124 Ca -0.00 -0.14 -0.17 0.00 0.08 0.00 0.00 57.88 57.65 3fr9 h LEU 124 Cb 0.78 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.38 3fr9 h LEU 124 CO 0.04 0.68 -2.07 0.59 -1.08 0.00 0.00 178.44 176.60 3fr9 n ASN 125 N -4.09 0.51 0.00 -0.43 3.02 0.91 -4.46 115.26 110.72 3fr9 n ASN 125 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 3fr9 n ASN 125 Cb 0.43 1.42 0.00 0.00 -0.61 0.00 0.00 39.78 41.02 3fr9 n ASN 125 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3fr9 n GLU 126 N -2.43 0.66 -0.08 3.52 2.13 -0.66 -4.83 120.64 118.95 3fr9 n GLU 126 Ca -0.17 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.56 3fr9 n GLU 126 Cb 0.80 -0.98 -0.04 0.00 0.27 0.00 0.00 31.44 31.50 3fr9 n GLU 126 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3fr9 n ASP 127 N -2.36 1.85 0.19 4.31 10.43 -0.85 -4.21 116.55 125.91 3fr9 n ASP 127 Ca 0.00 0.52 -0.15 0.00 2.57 0.00 0.00 54.79 57.73 3fr9 n ASP 127 Cb 0.48 -0.86 -0.08 0.00 1.84 0.00 0.00 41.12 42.50 3fr9 n ASP 127 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3fr9 h LEU 128 N -1.00 -1.12 -1.19 0.64 6.46 -0.41 -0.98 115.31 117.71 3fr9 h LEU 128 Ca -0.10 0.11 -0.08 0.00 -0.12 0.00 0.00 57.88 57.70 3fr9 h LEU 128 Cb 0.80 0.40 -0.01 0.00 -0.73 0.00 0.00 40.66 41.12 3fr9 h LEU 128 CO -0.06 -0.52 -0.25 1.55 -0.62 0.00 0.00 178.44 178.54 3fr9 h PRO 129 N -0.74 0.24 -0.32 5.25 0.13 -1.79 0.55 132.00 135.32 3fr9 h PRO 129 Ca -0.01 -0.08 -0.07 0.00 -0.87 0.00 0.00 66.00 64.97 3fr9 h PRO 129 Cb 0.70 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 3fr9 h PRO 129 CO -0.13 0.49 -0.07 -0.22 -0.23 0.00 0.00 178.00 177.83 3fr9 h LYS 130 N 0.22 0.61 -0.04 0.86 3.64 -1.68 -1.76 116.57 118.41 3fr9 h LYS 130 Ca 0.04 -0.23 -0.20 0.00 -1.27 0.00 0.00 60.65 58.99 3fr9 h LYS 130 Cb 0.57 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3fr9 h LYS 130 CO 0.04 0.79 -0.81 -1.49 -2.27 0.00 0.00 179.45 175.71 3fr9 h TRP 131 N 0.38 0.52 -0.67 1.91 4.06 -0.98 -2.26 115.95 118.92 3fr9 h TRP 131 Ca 0.08 -0.25 -0.01 0.00 2.06 0.00 0.00 58.89 60.77 3fr9 h TRP 131 Cb 0.56 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.62 3fr9 h TRP 131 CO 0.05 1.03 0.39 0.77 -3.56 0.00 0.00 178.44 177.12 3fr9 h SER 132 N 0.24 0.80 -0.27 -3.49 0.02 -0.89 -1.45 113.55 108.51 3fr9 h SER 132 Ca -0.05 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.77 3fr9 h SER 132 Cb 1.40 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 3fr9 h SER 132 CO 0.14 0.63 -0.13 1.23 -1.14 0.00 0.00 176.83 177.55 3fr9 h GLY 133 N 0.96 0.75 0.88 -3.77 0.00 -1.17 -0.26 103.07 100.46 3fr9 h GLY 133 Ca 0.24 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 3fr9 h GLY 133 CO -0.04 0.52 0.03 -0.97 0.00 0.00 0.00 176.54 176.07 3fr9 h TYR 134 N 0.63 0.09 -0.22 5.60 0.05 -0.78 -1.47 116.97 120.87 3fr9 h TYR 134 Ca 0.11 -0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.78 3fr9 h TYR 134 Cb 0.59 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 3fr9 h TYR 134 CO 0.03 0.19 -0.32 0.74 -1.05 0.00 0.00 178.16 177.75 3fr9 h PHE 135 N -0.04 0.50 -0.56 4.88 0.05 -1.25 -1.67 116.94 118.86 3fr9 h PHE 135 Ca 0.02 -0.12 -0.02 0.00 3.82 0.00 0.00 57.97 61.67 3fr9 h PHE 135 Cb 0.13 -0.12 -0.03 0.00 2.00 0.00 0.00 35.95 37.94 3fr9 h PHE 135 CO -0.03 0.71 0.28 1.49 -0.18 0.00 0.00 178.31 180.58 3fr9 h GLU 136 N 0.38 0.80 -0.35 1.51 4.57 -0.98 -1.50 114.58 119.02 3fr9 h GLU 136 Ca 0.05 -0.11 -0.13 0.00 -1.18 0.00 0.00 59.36 57.99 3fr9 h GLU 136 Cb 0.75 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 3fr9 h GLU 136 CO 0.06 0.64 -0.29 -0.22 -1.18 0.00 0.00 179.01 178.02 3fr9 h LYS 137 N 0.75 0.74 -0.19 1.92 3.64 -1.04 -1.54 116.57 120.85 3fr9 h LYS 137 Ca 0.19 -0.33 -0.09 0.00 -1.27 0.00 0.00 60.65 59.15 3fr9 h LYS 137 Cb 0.10 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3fr9 h LYS 137 CO -0.03 0.94 -0.29 -0.07 -2.27 0.00 0.00 179.45 177.73 3fr9 h LEU 138 N 0.63 0.38 -0.55 5.20 3.38 -1.16 -1.49 115.31 121.70 3fr9 h LEU 138 Ca 0.07 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 3fr9 h LEU 138 Cb 0.81 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3fr9 h LEU 138 CO 0.07 0.66 -0.44 -0.07 0.09 0.00 0.00 178.44 178.75 3fr9 h LEU 139 N 0.33 0.72 -1.18 1.67 3.38 -1.13 -3.15 115.31 115.95 3fr9 h LEU 139 Ca 0.05 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 3fr9 h LEU 139 Cb 0.69 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3fr9 h LEU 139 CO 0.05 1.06 0.23 0.50 0.09 0.00 0.00 178.44 180.37 3fr9 h LYS 140 N 0.54 0.80 0.00 1.13 3.64 -0.86 -2.14 116.57 119.68 3fr9 h LYS 140 Ca 0.04 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 3fr9 h LYS 140 Cb 0.98 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3fr9 h LYS 140 CO 0.09 0.65 -0.15 0.87 -2.27 0.00 0.00 179.45 178.65 3fr9 h LYS 141 N 0.79 0.00 -0.68 1.90 1.79 -1.25 -2.65 116.57 116.47 3fr9 h LYS 141 Ca 0.19 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.33 3fr9 h LYS 141 Cb 0.15 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 30.60 3fr9 h LYS 141 CO -0.02 0.15 0.29 -1.71 -1.08 0.00 0.00 179.45 177.08 3fr9 n ASN 142 N -3.45 3.30 0.00 0.86 5.15 -0.82 -5.11 115.26 115.19 3fr9 n ASN 142 Ca -0.01 -3.63 0.00 0.00 -0.60 0.00 0.00 54.58 50.34 3fr9 n ASN 142 Cb 0.32 -0.74 0.00 0.00 -0.53 0.00 0.00 39.78 38.83 3fr9 n ASN 142 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3fr9 n HIS 143 N -1.04 0.00 -0.10 1.20 8.25 -1.00 -4.95 115.22 117.58 3fr9 n HIS 143 Ca 0.46 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.74 3fr9 n HIS 143 Cb 1.36 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 32.41 3fr9 n HIS 143 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3fr9 n TYR 151 N 0.00 0.00 -1.49 4.41 4.01 -1.26 -4.50 117.16 118.34 3fr9 n TYR 151 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3fr9 n TYR 151 Cb 0.00 -0.67 0.00 0.00 -0.31 0.00 0.00 39.34 38.36 3fr9 n TYR 151 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3fr9 n TYR 152 N -4.14 -3.57 0.03 -0.72 4.01 -1.26 -4.93 117.16 106.58 3fr9 n TYR 152 Ca -0.32 1.99 -0.18 0.00 -0.16 0.00 0.00 57.90 59.23 3fr9 n TYR 152 Cb 0.67 -3.16 -0.08 0.00 -0.31 0.00 0.00 39.34 36.46 3fr9 n TYR 152 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 3fr9 h PHE 153 N 2.64 0.95 -3.58 -0.72 -1.00 -1.92 -3.46 116.94 109.85 3fr9 h PHE 153 Ca 0.00 -0.49 -0.45 0.00 2.81 0.00 0.00 57.97 59.84 3fr9 h PHE 153 Cb 0.00 -0.12 -0.33 0.00 3.61 0.00 0.00 35.95 39.11 3fr9 h PHE 153 CO 0.00 1.32 -0.79 0.08 -1.61 0.00 0.00 178.31 177.31 3fr9 s VAL 154 N -3.42 0.81 0.00 -0.55 1.01 -1.26 -4.73 120.40 112.25 3fr9 s VAL 154 Ca -0.09 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.57 3fr9 s VAL 154 Cb 0.08 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.70 3fr9 s VAL 154 CO 0.90 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.89 3fr9 n GLY 155 N 3.68 -0.43 0.69 4.51 0.00 -1.26 -4.25 105.19 108.13 3fr9 n GLY 155 Ca -0.22 -1.09 0.08 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.13 2.45 -4.33 1.61 4.13 -1.26 -4.93 115.26 111.80 3fr9 n ASN 156 Ca 0.00 -1.72 -0.17 0.00 1.68 0.00 0.00 54.58 54.37 3fr9 n ASN 156 Cb 0.00 -0.02 -0.10 0.00 -1.54 0.00 0.00 39.78 38.12 3fr9 n ASN 156 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 3fr9 s ASN 157 N -1.38 1.46 0.22 6.41 -0.87 -1.26 -5.05 114.94 114.47 3fr9 s ASN 157 Ca 0.20 -1.35 -0.30 0.00 -1.57 0.00 0.00 52.86 49.85 3fr9 s ASN 157 Cb 0.14 0.10 -0.09 0.00 -0.02 0.00 0.00 41.25 41.38 3fr9 s ASN 157 CO 0.21 -0.67 1.30 -0.22 -2.57 0.00 0.00 177.10 175.15 3fr9 s LEU 158 N -3.33 4.43 0.41 0.60 0.20 -1.26 -4.75 118.68 114.98 3fr9 s LEU 158 Ca 0.35 2.43 0.07 0.00 0.69 0.00 0.00 54.13 57.67 3fr9 s LEU 158 Cb 0.08 -3.62 -0.07 0.00 -0.43 0.00 0.00 46.19 42.15 3fr9 s LEU 158 CO 0.13 -0.51 0.05 0.42 -0.29 0.00 0.00 176.35 176.15 3fr9 s THR 159 N -0.12 2.04 0.60 3.68 -4.23 -1.26 -4.69 115.64 111.66 3fr9 s THR 159 Ca 0.55 -1.93 0.32 0.00 -1.18 0.00 0.00 61.69 59.45 3fr9 s THR 159 Cb -0.37 -2.97 0.37 0.00 1.34 0.00 0.00 72.50 70.88 3fr9 s THR 159 CO 0.40 0.00 2.27 0.10 -0.54 0.00 0.00 174.62 176.86 3fr9 h TYR 160 N 1.68 0.00 -0.24 3.99 -0.00 -0.95 -1.62 116.97 119.82 3fr9 h TYR 160 Ca -0.44 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.24 3fr9 h TYR 160 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.96 3fr9 h TYR 160 CO 0.73 0.00 -0.10 0.00 -0.00 0.00 0.00 178.16 178.79 3fr9 h ALA 161 N 1.99 1.38 -0.41 0.10 0.00 -1.84 0.14 119.26 120.63 3fr9 h ALA 161 Ca 0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 3fr9 h ALA 161 Cb 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3fr9 h ALA 161 CO -0.00 0.43 -0.17 -0.44 0.00 0.00 0.00 179.25 179.06 3fr9 h ASP 162 N 0.37 0.85 0.31 0.00 3.32 -1.68 -2.10 116.42 117.49 3fr9 h ASP 162 Ca 0.07 -0.39 -0.15 0.00 0.02 0.00 0.00 57.03 56.58 3fr9 h ASP 162 Cb 0.41 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3fr9 h ASP 162 CO 0.02 1.06 -0.61 -0.07 -1.72 0.00 0.00 179.24 177.92 3fr9 h LEU 163 N 0.65 0.33 -0.13 1.55 3.38 -1.45 -2.11 115.31 117.53 3fr9 h LEU 163 Ca 0.09 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3fr9 h LEU 163 Cb 0.72 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3fr9 h LEU 163 CO 0.05 0.86 0.02 0.00 0.09 0.00 0.00 178.44 179.47 3fr9 h ALA 164 N 1.14 0.17 -0.48 1.53 0.00 -0.68 0.88 119.26 121.82 3fr9 h ALA 164 Ca -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3fr9 h ALA 164 Cb 1.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3fr9 h ALA 164 CO 0.10 -0.18 0.29 0.28 0.00 0.00 0.00 179.25 179.74 3fr9 h VAL 165 N -0.01 1.15 -0.07 0.00 2.07 -1.41 -0.19 116.25 117.79 3fr9 h VAL 165 Ca 0.04 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.23 3fr9 h VAL 165 Cb 0.29 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3fr9 h VAL 165 CO 0.00 0.16 -0.06 0.15 0.02 0.00 0.00 177.57 177.84 3fr9 h PHE 166 N 0.64 -0.13 -0.98 1.57 3.04 -1.28 -2.06 116.94 117.74 3fr9 h PHE 166 Ca 0.17 0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.19 3fr9 h PHE 166 Cb 0.00 0.07 -0.06 0.00 2.56 0.00 0.00 35.95 38.52 3fr9 h PHE 166 CO -0.03 -0.09 0.63 -0.97 -2.02 0.00 0.00 178.31 175.83 3fr9 h ASN 167 N -0.07 1.01 0.29 0.41 -1.24 -0.63 0.21 115.58 115.57 3fr9 h ASN 167 Ca 0.05 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.07 3fr9 h ASN 167 Cb 0.14 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 3fr9 h ASN 167 CO -0.11 0.66 -0.28 0.25 -1.29 0.00 0.00 177.43 176.65 3fr9 h LEU 168 N 1.16 -0.76 0.00 0.34 5.85 -0.63 -0.60 115.31 120.67 3fr9 h LEU 168 Ca 0.41 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 59.12 3fr9 h LEU 168 Cb 0.13 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3fr9 h LEU 168 CO -0.16 -0.41 -0.41 1.88 -0.34 0.00 0.00 178.44 179.00 3fr9 h TYR 169 N -0.60 0.00 -0.56 1.25 -1.99 -1.18 -0.67 116.97 113.22 3fr9 h TYR 169 Ca -0.01 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.65 3fr9 h TYR 169 Cb 0.55 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.26 3fr9 h TYR 169 CO -0.18 0.37 0.06 0.22 -0.00 0.00 0.00 178.16 178.64 3fr9 h ASP 170 N 0.00 0.88 -0.17 3.88 3.58 -0.55 -0.39 116.42 123.65 3fr9 h ASP 170 Ca -0.01 -0.20 -0.14 0.00 0.42 0.00 0.00 57.03 57.10 3fr9 h ASP 170 Cb 1.29 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 42.11 3fr9 h ASP 170 CO 0.05 0.90 -0.44 -0.78 -2.88 0.00 0.00 179.24 176.09 3fr9 h ASP 171 N 0.86 0.68 -0.68 2.28 3.58 -0.88 -3.20 116.42 119.06 3fr9 h ASP 171 Ca 0.17 -0.58 -0.02 0.00 0.42 0.00 0.00 57.03 57.03 3fr9 h ASP 171 Cb 0.43 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 3fr9 h ASP 171 CO 0.01 1.14 0.37 0.40 -2.88 0.00 0.00 179.24 178.28 3fr9 h ILE 172 N 0.26 1.22 0.00 2.25 2.04 -1.04 -2.83 117.51 119.41 3fr9 h ILE 172 Ca -0.01 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3fr9 h ILE 172 Cb 1.06 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3fr9 h ILE 172 CO 0.10 0.24 0.00 -0.62 0.00 0.00 0.00 178.15 177.87 3fr9 n GLU 173 N -4.49 0.10 0.22 2.37 1.02 -0.16 0.04 120.64 119.73 3fr9 n GLU 173 Ca 0.05 0.37 0.08 0.00 -0.02 0.00 0.00 57.16 57.65 3fr9 n GLU 173 Cb 0.10 -1.71 0.47 0.00 -0.02 0.00 0.00 31.44 30.28 3fr9 n GLU 173 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3fr9 h THR 174 N 0.00 0.75 0.00 2.62 2.02 -1.49 -3.21 112.91 113.60 3fr9 h THR 174 Ca 0.00 -1.14 -0.10 0.00 0.77 0.00 0.00 66.41 65.95 3fr9 h THR 174 Cb 0.28 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 3fr9 h THR 174 CO 0.00 0.26 -1.36 1.17 0.37 0.00 0.00 175.52 175.96 3fr9 n LYS 175 N -3.58 2.64 -3.69 6.66 4.81 -0.86 -4.91 118.16 119.24 3fr9 n LYS 175 Ca -0.01 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 3fr9 n LYS 175 Cb 0.41 -1.13 -0.12 0.00 0.02 0.00 0.00 35.03 34.21 3fr9 n LYS 175 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3fr9 s TYR 176 N -2.13 2.44 0.71 5.64 1.51 0.11 -5.12 117.35 120.51 3fr9 s TYR 176 Ca -0.04 -2.83 -0.13 0.00 -1.01 0.00 0.00 57.07 53.06 3fr9 s TYR 176 Cb 0.02 -1.95 0.03 0.00 -0.11 0.00 0.00 41.96 39.95 3fr9 s TYR 176 CO 0.20 -0.69 1.11 -2.14 -1.11 0.00 0.00 175.55 172.92 3fr9 s PRO 177 N -0.61 2.52 -1.36 -1.71 0.02 -1.21 -3.75 135.00 128.89 3fr9 s PRO 177 Ca 0.26 1.32 0.00 0.00 0.02 0.00 0.00 61.00 62.60 3fr9 s PRO 177 Cb -0.05 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.55 3fr9 s PRO 177 CO -0.15 -1.46 0.00 0.45 -0.33 0.00 0.00 177.00 175.51 3fr9 n SER 178 N -2.91 -4.67 0.15 2.53 2.88 -1.26 -4.90 113.62 105.42 3fr9 n SER 178 Ca 0.10 0.03 0.13 0.00 -1.33 0.00 0.00 58.87 57.80 3fr9 n SER 178 Cb 0.52 -3.77 0.32 0.00 -0.75 0.00 0.00 64.21 60.53 3fr9 n SER 178 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3fr9 h SER 179 N 0.00 0.00 -0.62 -3.46 0.02 -1.98 -3.27 113.55 104.24 3fr9 h SER 179 Ca -0.36 -0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.44 3fr9 h SER 179 Cb 1.24 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.70 3fr9 h SER 179 CO 0.44 0.00 0.16 0.18 -1.14 0.00 0.00 176.83 176.47 3fr9 n LEU 180 N -2.56 5.62 -0.12 5.07 4.77 -1.26 -4.53 117.00 123.99 3fr9 n LEU 180 Ca 0.05 -3.18 -0.11 0.00 -0.03 0.00 0.00 56.01 52.75 3fr9 n LEU 180 Cb 0.47 -0.70 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 3fr9 n LEU 180 CO 0.32 0.78 0.78 0.11 -1.33 0.00 0.00 177.39 178.05 3fr9 h LYS 181 N 2.72 0.61 -0.44 3.23 1.79 -1.98 -3.10 116.57 119.40 3fr9 h LYS 181 Ca 0.17 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3fr9 h LYS 181 Cb 2.11 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.70 3fr9 h LYS 181 CO 0.60 0.72 0.00 0.09 -1.08 0.00 0.00 179.45 179.78 3fr9 n ASN 182 N -4.52 2.25 -3.50 0.86 3.02 -1.26 -4.53 115.26 107.58 3fr9 n ASN 182 Ca -0.02 -2.06 -0.27 0.00 -0.03 0.00 0.00 54.58 52.20 3fr9 n ASN 182 Cb 0.27 -0.30 -0.10 0.00 -0.61 0.00 0.00 39.78 39.03 3fr9 n ASN 182 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3fr9 n PHE 183 N 0.59 0.64 -0.19 3.10 3.01 -1.17 -5.01 117.46 118.43 3fr9 n PHE 183 Ca 0.13 -3.68 -0.06 0.00 1.01 0.00 0.00 57.45 54.85 3fr9 n PHE 183 Cb 0.38 -0.13 0.03 0.00 -0.01 0.00 0.00 39.48 39.75 3fr9 n PHE 183 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3fr9 h PRO 184 N 5.21 0.72 -0.56 -1.08 0.13 -1.80 0.14 132.00 134.76 3fr9 h PRO 184 Ca 0.20 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 65.19 3fr9 h PRO 184 Cb 0.84 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 3fr9 h PRO 184 CO 0.51 0.47 -0.05 -0.07 -0.23 0.00 0.00 178.00 178.64 3fr9 h LEU 185 N 0.74 1.01 -0.53 1.56 3.38 -1.94 0.09 115.31 119.62 3fr9 h LEU 185 Ca 0.21 -0.33 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 3fr9 h LEU 185 Cb -0.07 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 3fr9 h LEU 185 CO -0.05 1.10 -0.38 0.25 0.09 0.00 0.00 178.44 179.45 3fr9 h LEU 186 N 0.90 0.83 -0.62 1.67 5.85 -1.85 -0.85 115.31 121.24 3fr9 h LEU 186 Ca 0.15 -0.37 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 3fr9 h LEU 186 Cb 0.61 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3fr9 h LEU 186 CO 0.04 1.11 0.12 0.50 -0.34 0.00 0.00 178.44 179.87 3fr9 h LYS 187 N 0.65 1.01 -0.10 1.25 3.64 -0.53 -1.42 116.57 121.07 3fr9 h LYS 187 Ca 0.06 -0.26 -0.16 0.00 -1.27 0.00 0.00 60.65 59.02 3fr9 h LYS 187 Cb 0.93 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 3fr9 h LYS 187 CO 0.09 0.94 -0.63 0.00 -2.27 0.00 0.00 179.45 177.58 3fr9 h ALA 188 N 1.03 0.75 -0.01 5.00 0.00 -0.91 -2.00 119.26 123.12 3fr9 h ALA 188 Ca 0.19 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 3fr9 h ALA 188 Cb 0.40 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3fr9 h ALA 188 CO 0.01 0.73 0.01 1.25 0.00 0.00 0.00 179.25 181.24 3fr9 h HIS 189 N 0.26 0.01 -0.96 0.00 -0.00 -1.02 0.20 115.15 113.64 3fr9 h HIS 189 Ca -0.01 -0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.41 3fr9 h HIS 189 Cb 1.16 -0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 28.50 3fr9 h HIS 189 CO 0.03 0.12 0.62 -0.97 -0.00 0.00 0.00 177.93 177.73 3fr9 h ASN 190 N -0.09 1.02 0.15 3.26 -1.24 -1.23 -1.75 115.58 115.70 3fr9 h ASN 190 Ca 0.00 -0.00 -0.18 0.00 0.71 0.00 0.00 56.30 56.83 3fr9 h ASN 190 Cb 0.11 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 38.93 3fr9 h ASN 190 CO -0.00 0.68 -0.68 -0.08 -1.29 0.00 0.00 177.43 176.06 3fr9 h GLU 191 N 1.18 0.49 -0.45 6.67 4.81 -1.22 -1.54 114.58 124.52 3fr9 h GLU 191 Ca 0.39 -0.37 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 3fr9 h GLU 191 Cb 0.06 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3fr9 h GLU 191 CO -0.14 1.00 0.02 0.35 -0.73 0.00 0.00 179.01 179.51 3fr9 h PHE 192 N 0.35 0.85 -0.40 0.92 3.57 -0.67 -2.49 116.94 119.05 3fr9 h PHE 192 Ca -0.02 -0.14 -0.15 0.00 3.53 0.00 0.00 57.97 61.19 3fr9 h PHE 192 Cb 1.26 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 3fr9 h PHE 192 CO 0.05 0.81 -0.34 0.82 -2.23 0.00 0.00 178.31 177.42 3fr9 h ILE 193 N 0.63 1.27 0.00 1.41 1.08 -1.30 -3.12 117.51 117.49 3fr9 h ILE 193 Ca 0.13 -1.51 -0.05 0.00 -0.39 0.00 0.00 64.86 63.04 3fr9 h ILE 193 Cb 0.46 1.32 -0.01 0.00 -3.07 0.00 0.00 36.82 35.52 3fr9 h ILE 193 CO 0.02 0.51 -0.24 0.77 -0.69 0.00 0.00 178.15 178.52 3fr9 h SER 194 N 0.77 0.00 -0.23 1.72 4.64 -1.25 -2.82 113.55 116.39 3fr9 h SER 194 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3fr9 h SER 194 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3fr9 h SER 194 CO 0.09 0.24 0.00 0.59 -0.87 0.00 0.00 176.83 176.88 3fr9 n ASN 195 N -3.85 2.46 -4.71 4.97 5.03 -0.94 -2.80 115.26 115.41 3fr9 n ASN 195 Ca -0.02 -1.83 -0.42 0.00 0.87 0.00 0.00 54.58 53.18 3fr9 n ASN 195 Cb 0.33 -0.14 -0.03 0.00 -1.02 0.00 0.00 39.78 38.92 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 -1.60 4.36 0.26 3.41 1.43 -1.06 -4.81 118.68 120.65 3fr9 s LEU 196 Ca 0.35 2.33 -0.10 0.00 -1.03 0.00 0.00 54.13 55.67 3fr9 s LEU 196 Cb 0.20 -3.58 0.38 0.00 0.03 0.00 0.00 46.19 43.22 3fr9 s LEU 196 CO 0.29 -0.72 1.58 -0.65 0.23 0.00 0.00 176.35 177.08 3fr9 h PRO 197 N 7.25 -0.01 -0.23 1.29 0.11 -1.90 0.32 132.00 138.83 3fr9 h PRO 197 Ca -0.41 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.57 3fr9 h PRO 197 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3fr9 h PRO 197 CO 0.89 -0.00 -0.37 -0.91 -0.21 0.00 0.00 178.00 177.39 3fr9 h ASN 198 N -0.01 0.55 0.04 -2.05 -0.26 -1.89 -1.55 115.58 110.41 3fr9 h ASN 198 Ca 0.42 -0.23 -0.00 0.00 -0.56 0.00 0.00 56.30 55.92 3fr9 h ASN 198 Cb 0.65 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.75 3fr9 h ASN 198 CO -0.92 0.87 -0.02 0.40 -1.06 0.00 0.00 177.43 176.71 3fr9 h ILE 199 N 0.44 1.36 -0.59 2.81 1.08 -1.26 -2.57 117.51 118.78 3fr9 h ILE 199 Ca 0.04 -1.44 0.12 0.00 -0.39 0.00 0.00 64.86 63.20 3fr9 h ILE 199 Cb 0.85 2.29 -0.10 0.00 -3.07 0.00 0.00 36.82 36.79 3fr9 h ILE 199 CO 0.07 0.35 -0.05 0.50 -0.69 0.00 0.00 178.15 178.34 3fr9 h LYS 200 N -0.70 0.07 -0.79 2.37 3.64 -0.29 -0.02 116.57 120.84 3fr9 h LYS 200 Ca -0.01 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3fr9 h LYS 200 Cb 0.62 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 3fr9 h LYS 200 CO 0.01 0.05 0.44 -0.97 -2.27 0.00 0.00 179.45 176.71 3fr9 h ASN 201 N 0.08 0.98 -0.34 4.20 -0.73 -1.35 -2.47 115.58 115.94 3fr9 h ASN 201 Ca 0.30 -0.09 -0.03 0.00 1.87 0.00 0.00 56.30 58.35 3fr9 h ASN 201 Cb 0.48 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.80 3fr9 h ASN 201 CO -0.54 0.79 0.10 0.22 -0.37 0.00 0.00 177.43 177.64 3fr9 h TYR 202 N 1.10 0.56 -0.67 0.67 5.03 -0.83 -2.50 116.97 120.32 3fr9 h TYR 202 Ca 0.28 -0.06 0.01 0.00 2.58 0.00 0.00 58.73 61.54 3fr9 h TYR 202 Cb 0.02 -0.16 -0.04 0.00 1.55 0.00 0.00 36.73 38.10 3fr9 h TYR 202 CO 0.00 0.56 0.44 0.82 -1.32 0.00 0.00 178.16 178.65 3fr9 h ILE 203 N 0.40 1.15 -0.58 1.81 2.04 -0.91 0.38 117.51 121.79 3fr9 h ILE 203 Ca 0.11 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 3fr9 h ILE 203 Cb 0.26 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 3fr9 h ILE 203 CO -0.00 0.16 0.18 0.74 0.00 0.00 0.00 178.15 179.22 3fr9 h THR 204 N 0.88 1.24 0.00 -0.27 2.02 -1.39 -2.76 112.91 112.63 3fr9 h THR 204 Ca 0.25 -0.83 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 3fr9 h THR 204 Cb -0.07 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3fr9 h THR 204 CO -0.07 0.31 -0.14 0.78 0.37 0.00 0.00 175.52 176.78 3fr9 h ASN 205 N 0.83 0.00 -3.56 4.18 2.35 -1.17 -3.45 115.58 114.75 3fr9 h ASN 205 Ca 0.19 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.42 3fr9 h ASN 205 Cb 0.30 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.71 3fr9 h ASN 205 CO -0.00 0.14 0.63 -0.60 -1.65 0.00 0.00 177.43 175.94 3fr9 s ARG 206 N -3.35 4.40 0.00 0.81 3.52 0.10 -5.10 118.95 119.33 3fr9 s ARG 206 Ca 0.04 2.08 0.13 0.00 -0.13 0.00 0.00 55.73 57.85 3fr9 s ARG 206 Cb 0.07 -3.16 0.11 0.00 -1.56 0.00 0.00 34.95 30.41 3fr9 s ARG 206 CO 0.65 -0.19 0.92 1.63 -0.81 0.00 0.00 175.30 177.50