#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fy6 s GLU 3 N 0.00 3.30 -0.18 1.09 2.12 -1.26 -0.95 118.70 122.83 3fy6 s GLU 3 Ca 0.00 -0.52 0.01 0.00 0.36 0.00 0.00 54.97 54.82 3fy6 s GLU 3 Cb 0.00 -2.79 0.02 0.00 0.26 0.00 0.00 34.13 31.62 3fy6 s GLU 3 CO 0.00 0.43 -0.18 0.08 -0.54 0.00 0.00 175.26 175.05 3fy6 s VAL 4 N -0.15 1.94 -0.32 3.70 1.01 -0.05 -4.99 120.40 121.54 3fy6 s VAL 4 Ca 0.03 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 60.98 3fy6 s VAL 4 Cb -0.13 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 3fy6 s VAL 4 CO 0.03 0.50 0.30 0.20 0.00 0.00 0.00 175.10 176.12 3fy6 s ASN 5 N 1.33 6.13 -0.15 3.32 0.01 -1.26 -0.84 114.94 123.48 3fy6 s ASN 5 Ca 0.04 -0.18 -0.04 0.00 -0.71 0.00 0.00 52.86 51.98 3fy6 s ASN 5 Cb -0.13 -2.17 -0.03 0.00 0.41 0.00 0.00 41.25 39.33 3fy6 s ASN 5 CO -0.12 -0.24 -0.03 -0.76 -1.51 0.00 0.00 177.10 174.44 3fy6 s LEU 6 N 1.90 3.28 -0.41 0.60 1.43 0.12 -4.96 118.68 120.64 3fy6 s LEU 6 Ca 0.10 -0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 52.91 3fy6 s LEU 6 Cb -0.17 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.29 3fy6 s LEU 6 CO 0.11 0.19 0.54 0.20 0.23 0.00 0.00 176.35 177.62 3fy6 s ASN 7 N 0.24 6.27 -0.19 2.29 0.01 -1.26 -0.27 114.94 122.03 3fy6 s ASN 7 Ca -0.02 -0.40 -0.03 0.00 -0.71 0.00 0.00 52.86 51.70 3fy6 s ASN 7 Cb -0.14 -2.27 -0.01 0.00 0.41 0.00 0.00 41.25 39.24 3fy6 s ASN 7 CO 0.03 -0.64 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.27 3fy6 s ILE 8 N 2.47 3.24 -0.00 0.60 -1.09 0.49 -4.85 121.20 122.06 3fy6 s ILE 8 Ca 0.18 -0.55 -0.30 0.00 -2.23 0.00 0.00 60.65 57.74 3fy6 s ILE 8 Cb -0.15 -2.44 -0.05 0.00 -1.58 0.00 0.00 42.46 38.24 3fy6 s ILE 8 CO 0.16 0.46 1.35 -0.47 -1.23 0.00 0.00 174.94 175.21 3fy6 s TYR 9 N 1.13 2.97 -0.34 3.97 5.04 -1.26 0.45 117.35 129.31 3fy6 s TYR 9 Ca 0.01 0.93 -0.08 0.00 -2.44 0.00 0.00 57.07 55.49 3fy6 s TYR 9 Cb -0.14 -3.60 0.03 0.00 0.35 0.00 0.00 41.96 38.59 3fy6 s TYR 9 CO -0.02 -2.15 0.14 0.45 -1.34 0.00 0.00 175.55 172.63 3fy6 s SER 10 N 1.71 5.46 0.62 4.32 0.15 0.23 -4.87 113.70 121.33 3fy6 s SER 10 Ca 0.62 -0.99 0.38 0.00 0.70 0.00 0.00 55.95 56.66 3fy6 s SER 10 Cb -0.30 -1.94 2.06 0.00 -1.71 0.00 0.00 66.02 64.13 3fy6 s SER 10 CO 0.26 -0.32 2.27 -0.65 1.20 0.00 0.00 173.24 175.99 3fy6 h PRO 11 N 8.31 0.00 -0.46 5.44 0.11 -1.77 0.52 132.00 144.16 3fy6 h PRO 11 Ca -0.26 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.75 3fy6 h PRO 11 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3fy6 h PRO 11 CO 0.63 0.02 -0.12 -0.09 -0.21 0.00 0.00 178.00 178.22 3fy6 h ARG 12 N 0.00 0.89 -0.01 1.05 2.43 -1.81 -3.26 114.38 113.67 3fy6 h ARG 12 Ca -0.00 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 3fy6 h ARG 12 Cb 0.10 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3fy6 h ARG 12 CO 0.00 1.00 -0.52 0.91 -1.51 0.00 0.00 179.97 179.85 3fy6 n TRP 13 N -4.24 0.00 -2.14 2.20 7.02 -0.88 -4.97 117.44 114.44 3fy6 n TRP 13 Ca -0.00 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.31 3fy6 n TRP 13 Cb 0.39 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.26 3fy6 n TRP 13 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3fy6 n GLY 14 N 1.34 0.12 3.60 6.99 0.00 0.12 -4.98 105.19 112.37 3fy6 n GLY 14 Ca 0.07 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 3fy6 n GLY 14 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fy6 s ARG 15 N -4.53 1.55 0.13 1.61 1.70 -1.19 -4.99 118.95 113.22 3fy6 s ARG 15 Ca 0.00 -1.22 -0.30 0.00 -0.47 0.00 0.00 55.73 53.74 3fy6 s ARG 15 Cb 0.00 0.48 -0.06 0.00 -0.57 0.00 0.00 34.95 34.79 3fy6 s ARG 15 CO 0.00 -0.65 1.10 -1.01 -1.08 0.00 0.00 175.30 173.66 3fy6 s HIS 16 N -4.01 3.59 0.08 5.89 3.76 -1.26 -0.60 115.29 122.74 3fy6 s HIS 16 Ca 0.21 1.56 0.06 0.00 -0.15 0.00 0.00 55.06 56.74 3fy6 s HIS 16 Cb -0.01 -3.27 -0.04 0.00 1.11 0.00 0.00 32.58 30.37 3fy6 s HIS 16 CO 0.08 -0.62 -0.06 -1.21 -0.85 0.00 0.00 174.74 172.08 3fy6 s GLU 17 N 0.15 2.35 -0.34 1.40 0.41 0.17 -4.89 118.70 117.95 3fy6 s GLU 17 Ca 0.52 -0.91 -0.19 0.00 -0.41 0.00 0.00 54.97 53.98 3fy6 s GLU 17 Cb -0.28 -2.42 -0.00 0.00 -1.78 0.00 0.00 34.13 29.65 3fy6 s GLU 17 CO 0.32 0.54 0.59 0.99 -0.49 0.00 0.00 175.26 177.21 3fy6 s THR 18 N -1.21 4.95 -0.23 3.63 2.01 -1.26 -0.38 115.64 123.15 3fy6 s THR 18 Ca 0.22 0.55 -0.16 0.00 0.31 0.00 0.00 61.69 62.62 3fy6 s THR 18 Cb -0.11 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 3fy6 s THR 18 CO 0.14 -0.24 0.41 -0.31 -0.69 0.00 0.00 174.62 173.94 3fy6 s TYR 19 N 2.57 3.32 -0.26 4.92 1.51 0.62 -4.61 117.35 125.43 3fy6 s TYR 19 Ca 0.22 0.57 -0.10 0.00 -1.01 0.00 0.00 57.07 56.76 3fy6 s TYR 19 Cb -0.15 -2.57 -0.04 0.00 -0.11 0.00 0.00 41.96 39.08 3fy6 s TYR 19 CO 0.14 -0.12 0.14 0.42 -1.11 0.00 0.00 175.55 175.02 3fy6 s ILE 20 N 1.69 5.00 -0.26 2.71 1.01 0.08 -0.70 121.20 130.73 3fy6 s ILE 20 Ca 0.18 0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.81 3fy6 s ILE 20 Cb -0.15 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 3fy6 s ILE 20 CO 0.09 0.31 0.11 -0.69 0.00 0.00 0.00 174.94 174.75 3fy6 s VAL 21 N 1.50 4.56 -0.33 2.92 1.01 -0.02 -1.16 120.40 128.89 3fy6 s VAL 21 Ca 0.07 -0.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.80 3fy6 s VAL 21 Cb -0.15 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 3fy6 s VAL 21 CO 0.07 0.28 0.20 -1.61 0.00 0.00 0.00 175.10 174.04 3fy6 s GLU 22 N 1.65 3.39 -0.21 2.72 2.02 0.71 -0.87 118.70 128.10 3fy6 s GLU 22 Ca 0.06 -0.70 -0.10 0.00 0.02 0.00 0.00 54.97 54.25 3fy6 s GLU 22 Cb -0.16 -3.69 -0.05 0.00 0.10 0.00 0.00 34.13 30.34 3fy6 s GLU 22 CO 0.06 -0.44 0.15 -0.51 0.02 0.00 0.00 175.26 174.54 3fy6 s LEU 23 N 1.66 4.18 0.13 1.80 1.43 -0.12 -1.36 118.68 126.40 3fy6 s LEU 23 Ca 0.05 0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 3fy6 s LEU 23 Cb -0.17 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 3fy6 s LEU 23 CO 0.08 0.13 -0.04 -1.00 0.23 0.00 0.00 176.35 175.76 3fy6 s HIS 24 N 0.62 1.03 0.23 0.29 3.76 -0.18 -2.00 115.29 119.04 3fy6 s HIS 24 Ca 0.08 -0.95 -0.07 0.00 -0.15 0.00 0.00 55.06 53.97 3fy6 s HIS 24 Cb -0.12 -0.59 0.21 0.00 1.11 0.00 0.00 32.58 33.19 3fy6 s HIS 24 CO 0.01 -0.16 1.86 -0.22 -0.85 0.00 0.00 174.74 175.38 3fy6 h LYS 25 N 2.85 1.23 0.00 1.40 1.63 -1.98 -3.16 116.57 118.55 3fy6 h LYS 25 Ca -0.36 -0.13 -0.11 0.00 -0.85 0.00 0.00 60.65 59.21 3fy6 h LYS 25 Cb 1.18 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 32.54 3fy6 h LYS 25 CO 0.64 0.88 -1.15 -0.44 -3.45 0.00 0.00 179.45 175.92 3fy6 h ASP 26 N 1.24 0.00 0.00 4.20 3.32 -1.96 -3.45 116.42 119.77 3fy6 h ASP 26 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3fy6 h ASP 26 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3fy6 h ASP 26 CO -0.06 0.38 0.00 0.00 -1.72 0.00 0.00 179.24 177.85 3fy6 n TYR 27 N -2.87 0.00 -3.62 4.55 4.11 -1.20 -0.99 117.16 117.14 3fy6 n TYR 27 Ca -0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.75 3fy6 n TYR 27 Cb 0.73 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 40.01 3fy6 n TYR 27 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 3fy6 s GLU 29 N 1.83 0.52 -0.12 -3.48 2.02 -0.46 -1.01 118.70 118.00 3fy6 s GLU 29 Ca 0.00 0.50 0.01 0.00 0.02 0.00 0.00 54.97 55.50 3fy6 s GLU 29 Cb 0.00 0.25 0.02 0.00 0.10 0.00 0.00 34.13 34.50 3fy6 s GLU 29 CO 0.00 -0.09 -0.14 0.42 0.02 0.00 0.00 175.26 175.48 3fy6 s ILE 30 N -0.05 1.43 0.08 -1.63 1.01 -0.25 -0.21 121.20 121.59 3fy6 s ILE 30 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.10 3fy6 s ILE 30 Cb -0.04 -1.34 -0.00 0.00 0.01 0.00 0.00 42.46 41.09 3fy6 s ILE 30 CO -0.05 0.43 0.01 -1.20 0.00 0.00 0.00 174.94 174.14 3fy6 n SER 31 N 4.49 1.72 0.00 3.58 7.64 -0.31 -0.76 113.62 129.98 3fy6 n SER 31 Ca -0.18 -1.38 0.00 0.00 1.01 0.00 0.00 58.87 58.33 3fy6 n SER 31 Cb 0.51 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 3fy6 n SER 31 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fy6 n GLY 33 N 3.08 0.00 0.00 0.23 0.00 -1.26 -0.74 105.19 106.50 3fy6 n GLY 33 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.13 3fy6 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fy6 n ALA 34 N 0.00 2.35 -2.51 4.61 0.00 -1.26 -4.79 120.51 118.91 3fy6 n ALA 34 Ca 0.00 -0.11 -0.37 0.00 0.00 0.00 0.00 53.44 52.96 3fy6 n ALA 34 Cb 0.00 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 17.93 3fy6 n ALA 34 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3fy6 s VAL 35 N -2.85 5.03 -0.03 0.00 1.01 -1.26 -5.08 120.40 117.23 3fy6 s VAL 35 Ca 0.19 0.70 -0.01 0.00 0.00 0.00 0.00 61.98 62.86 3fy6 s VAL 35 Cb 0.19 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.91 3fy6 s VAL 35 CO 0.49 0.44 0.05 -0.89 0.00 0.00 0.00 175.10 175.20 3fy6 s THR 36 N -1.23 -0.09 0.24 3.92 2.01 -1.26 -4.30 115.64 114.92 3fy6 s THR 36 Ca 0.28 0.30 0.08 0.00 0.31 0.00 0.00 61.69 62.66 3fy6 s THR 36 Cb -0.16 -0.12 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 3fy6 s THR 36 CO 0.16 0.13 0.10 0.27 -0.69 0.00 0.00 174.62 174.58 3fy6 s ILE 37 N 1.55 4.02 -0.03 1.82 -4.36 0.06 -4.95 121.20 119.31 3fy6 s ILE 37 Ca -0.03 -1.54 -0.03 0.00 -0.26 0.00 0.00 60.65 58.79 3fy6 s ILE 37 Cb -0.13 -3.13 0.01 0.00 1.25 0.00 0.00 42.46 40.46 3fy6 s ILE 37 CO -0.03 -0.30 0.09 -0.75 0.24 0.00 0.00 174.94 174.19 3fy6 s LYS 38 N -3.57 0.10 -0.11 0.37 2.20 -1.26 -1.09 119.74 116.37 3fy6 s LYS 38 Ca 0.31 0.12 0.02 0.00 -0.36 0.00 0.00 55.97 56.06 3fy6 s LYS 38 Cb -0.08 0.04 -0.01 0.00 -1.51 0.00 0.00 37.83 36.27 3fy6 s LYS 38 CO 0.22 -0.02 -0.17 0.00 -0.36 0.00 0.00 175.35 175.02 3fy6 s ALA 39 N 0.07 2.45 -0.11 3.13 0.00 -1.26 -0.44 121.76 125.59 3fy6 s ALA 39 Ca -0.00 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3fy6 s ALA 39 Cb -0.01 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 3fy6 s ALA 39 CO 0.00 0.29 -0.13 0.95 0.00 0.00 0.00 175.76 176.87 3fy6 s THR 40 N 0.27 3.08 0.63 0.00 -4.23 -0.29 -4.32 115.64 110.77 3fy6 s THR 40 Ca -0.12 -0.67 -0.15 0.00 -1.18 0.00 0.00 61.69 59.57 3fy6 s THR 40 Cb -0.16 -2.28 -0.02 0.00 1.34 0.00 0.00 72.50 71.38 3fy6 s THR 40 CO 0.07 0.54 1.07 -0.47 -0.54 0.00 0.00 174.62 175.28 3fy6 s TYR 41 N 0.14 2.89 -0.18 3.99 5.04 -0.17 -1.33 117.35 127.74 3fy6 s TYR 41 Ca -0.07 1.51 -0.12 0.00 -2.44 0.00 0.00 57.07 55.96 3fy6 s TYR 41 Cb -0.15 -3.04 0.05 0.00 0.35 0.00 0.00 41.96 39.18 3fy6 s TYR 41 CO 0.05 -1.30 0.45 -1.54 -1.34 0.00 0.00 175.55 171.86 3fy6 s SER 42 N -2.87 -0.53 0.10 4.32 1.04 -1.26 -4.90 113.70 109.60 3fy6 s SER 42 Ca 0.64 0.94 -0.19 0.00 0.48 0.00 0.00 55.95 57.82 3fy6 s SER 42 Cb -0.17 0.87 -0.04 0.00 0.10 0.00 0.00 66.02 66.78 3fy6 s SER 42 CO 0.41 -0.18 1.13 -0.62 0.98 0.00 0.00 173.24 174.95 3fy6 n GLU 43 N 3.72 -0.27 -0.80 4.02 1.02 -1.26 -2.87 120.64 124.21 3fy6 n GLU 43 Ca -0.19 1.11 -0.05 0.00 -0.02 0.00 0.00 57.16 58.01 3fy6 n GLU 43 Cb 0.56 -1.64 0.21 0.00 -0.02 0.00 0.00 31.44 30.56 3fy6 n GLU 43 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fy6 n ASN 44 N -4.47 2.95 -3.75 1.62 4.13 -1.26 -4.97 115.26 109.51 3fy6 n ASN 44 Ca 0.01 -3.61 -0.10 0.00 1.68 0.00 0.00 54.58 52.57 3fy6 n ASN 44 Cb 0.16 -0.65 -0.06 0.00 -1.54 0.00 0.00 39.78 37.69 3fy6 n ASN 44 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3fy6 s GLN 45 N -3.17 0.96 0.96 3.52 -0.21 -1.14 -5.15 119.66 115.43 3fy6 s GLN 45 Ca 0.46 -0.84 -0.11 0.00 0.02 0.00 0.00 55.36 54.89 3fy6 s GLN 45 Cb 0.41 0.40 0.17 0.00 1.00 0.00 0.00 33.01 34.99 3fy6 s GLN 45 CO 0.03 -0.34 1.12 -0.51 -2.12 0.00 0.00 175.29 173.47 3fy6 s ASP 46 N -2.84 2.56 0.52 5.90 1.01 -1.26 -4.33 116.67 118.22 3fy6 s ASP 46 Ca 0.04 2.06 -0.23 0.00 0.71 0.00 0.00 52.55 55.13 3fy6 s ASP 46 Cb 0.03 -2.52 -0.06 0.00 1.01 0.00 0.00 42.92 41.39 3fy6 s ASP 46 CO -0.11 -3.31 1.35 -2.84 0.21 0.00 0.00 175.17 170.47 3fy6 s PRO 47 N -4.62 3.31 -0.31 8.23 0.02 -1.26 -4.69 135.00 135.69 3fy6 s PRO 47 Ca 0.67 2.22 -0.20 0.00 0.02 0.00 0.00 61.00 63.72 3fy6 s PRO 47 Cb -0.23 -2.35 -0.01 0.00 0.02 0.00 0.00 34.50 31.93 3fy6 s PRO 47 CO 0.59 -1.05 0.59 -1.21 -0.33 0.00 0.00 177.00 175.60 3fy6 s GLU 48 N -2.79 3.87 0.10 5.54 0.41 -0.44 -4.86 118.70 120.53 3fy6 s GLU 48 Ca 0.69 0.22 -0.08 0.00 -0.41 0.00 0.00 54.97 55.38 3fy6 s GLU 48 Cb -0.40 -3.73 -0.06 0.00 -1.78 0.00 0.00 34.13 28.16 3fy6 s GLU 48 CO 0.48 -0.56 0.40 -1.58 -0.49 0.00 0.00 175.26 173.51 3fy6 s TRP 49 N 2.54 3.54 0.97 1.61 0.52 -1.26 -1.14 118.94 125.72 3fy6 s TRP 49 Ca 0.24 0.72 -0.12 0.00 0.02 0.00 0.00 56.10 56.96 3fy6 s TRP 49 Cb -0.15 -2.12 0.13 0.00 -1.15 0.00 0.00 33.47 30.18 3fy6 s TRP 49 CO 0.12 0.48 0.82 -1.13 0.02 0.00 0.00 176.95 177.26 3fy6 n SER 50 N 0.63 -0.87 -0.25 2.95 3.41 0.42 -4.92 113.62 114.99 3fy6 n SER 50 Ca -0.06 0.29 -0.06 0.00 -0.26 0.00 0.00 58.87 58.78 3fy6 n SER 50 Cb 0.52 -1.33 0.05 0.00 -0.26 0.00 0.00 64.21 63.19 3fy6 n SER 50 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3fy6 h GLU 51 N -1.90 0.97 -6.81 4.33 4.57 -1.98 -3.42 114.58 110.34 3fy6 h GLU 51 Ca -0.46 -0.13 -0.52 0.00 -1.18 0.00 0.00 59.36 57.07 3fy6 h GLU 51 Cb 1.29 -0.18 0.06 0.00 -0.16 0.00 0.00 28.75 29.75 3fy6 h GLU 51 CO 0.40 0.75 0.66 -2.00 -1.18 0.00 0.00 179.01 177.63 3fy6 s GLU 52 N -5.78 4.36 0.37 1.92 2.56 -1.26 -5.03 118.70 115.84 3fy6 s GLU 52 Ca -0.13 2.18 0.08 0.00 0.00 0.00 0.00 54.97 57.10 3fy6 s GLU 52 Cb 0.14 -3.11 -0.03 0.00 2.00 0.00 0.00 34.13 33.13 3fy6 s GLU 52 CO 0.80 -0.23 0.28 0.95 -0.56 0.00 0.00 175.26 176.50 3fy6 s THR 53 N -0.68 3.05 0.22 -1.70 -4.23 -1.26 -4.77 115.64 106.26 3fy6 s THR 53 Ca 0.52 -1.45 -0.10 0.00 -1.18 0.00 0.00 61.69 59.48 3fy6 s THR 53 Cb -0.39 -3.07 0.17 0.00 1.34 0.00 0.00 72.50 70.55 3fy6 s THR 53 CO 0.48 -0.11 1.89 0.25 -0.54 0.00 0.00 174.62 176.59 3fy6 h LEU 54 N 1.25 0.91 -1.72 4.79 5.85 -1.97 -2.10 115.31 122.32 3fy6 h LEU 54 Ca -0.43 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.29 3fy6 h LEU 54 Cb 1.26 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 3fy6 h LEU 54 CO 0.60 0.65 0.24 1.56 -0.34 0.00 0.00 178.44 181.15 3fy6 h GLN 55 N 1.07 0.36 0.45 1.25 1.08 -1.96 -2.53 115.11 114.82 3fy6 h GLN 55 Ca 0.29 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.45 3fy6 h GLN 55 Cb -0.12 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.23 3fy6 h GLN 55 CO -0.07 0.24 -0.22 -0.44 -0.95 0.00 0.00 178.83 177.40 3fy6 h ASP 56 N 0.37 -0.51 0.00 1.46 3.32 -1.78 0.23 116.42 119.52 3fy6 h ASP 56 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3fy6 h ASP 56 Cb 0.11 0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3fy6 h ASP 56 CO -0.03 -0.34 0.00 2.30 -1.72 0.00 0.00 179.24 179.45 3fy6 n ILE 57 N -5.34 0.24 0.00 0.35 -5.35 -0.95 -2.34 119.36 105.98 3fy6 n ILE 57 Ca -0.11 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 3fy6 n ILE 57 Cb 0.26 -0.49 0.00 0.00 -1.74 0.00 0.00 39.64 37.67 3fy6 n ILE 57 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3fy6 n ASN 59 N 0.52 0.00 -0.01 7.28 5.03 0.81 -3.28 115.26 125.61 3fy6 n ASN 59 Ca 0.00 0.00 0.18 0.00 0.87 0.00 0.00 54.58 55.63 3fy6 n ASN 59 Cb 0.18 0.00 0.64 0.00 -1.02 0.00 0.00 39.78 39.59 3fy6 n ASN 59 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.26 174.30 3fy6 h ASN 60 N 0.00 0.08 -0.57 6.41 -1.24 -1.66 0.11 115.58 118.71 3fy6 h ASN 60 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3fy6 h ASN 60 Cb 0.00 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.04 3fy6 h ASN 60 CO 0.00 0.05 0.00 0.47 -1.29 0.00 0.00 177.43 176.66 3fy6 n ASP 61 N -4.41 4.28 -2.55 1.15 8.00 -1.20 -4.92 116.55 116.89 3fy6 n ASP 61 Ca 0.09 -2.41 -0.21 0.00 0.71 0.00 0.00 54.79 52.98 3fy6 n ASP 61 Cb 0.53 -0.55 0.01 0.00 -0.02 0.00 0.00 41.12 41.09 3fy6 n ASP 61 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3fy6 n SER 62 N 0.95 -5.81 -4.48 -2.24 7.64 0.37 -2.86 113.62 107.18 3fy6 n SER 62 Ca 0.23 -0.14 -0.35 0.00 1.01 0.00 0.00 58.87 59.62 3fy6 n SER 62 Cb 0.81 -4.74 -0.12 0.00 -1.01 0.00 0.00 64.21 59.15 3fy6 n SER 62 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3fy6 s VAL 63 N -3.07 4.12 -0.68 0.44 1.01 -1.26 -4.42 120.40 116.54 3fy6 s VAL 63 Ca 0.14 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.91 3fy6 s VAL 63 Cb -0.06 -2.86 0.18 0.00 0.00 0.00 0.00 36.38 33.64 3fy6 s VAL 63 CO 0.17 0.43 0.53 -1.22 0.00 0.00 0.00 175.10 175.00 3fy6 n TYR 64 N 4.16 3.08 -2.09 5.22 4.01 -1.26 -2.75 117.16 127.52 3fy6 n TYR 64 Ca -0.17 -4.23 -0.27 0.00 -0.16 0.00 0.00 57.90 53.06 3fy6 n TYR 64 Cb 0.52 -0.57 0.07 0.00 -0.31 0.00 0.00 39.34 39.05 3fy6 n TYR 64 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3fy6 s PRO 65 N -1.56 2.33 0.60 -0.72 0.05 -1.26 -4.94 135.00 129.50 3fy6 s PRO 65 Ca 0.28 -0.00 -0.19 0.00 0.05 0.00 0.00 61.00 61.13 3fy6 s PRO 65 Cb -0.00 -2.10 -0.04 0.00 0.05 0.00 0.00 34.50 32.41 3fy6 s PRO 65 CO -0.15 -1.24 1.19 -2.30 0.05 0.00 0.00 177.00 174.55 3fy6 n PRO 66 N -3.00 1.21 0.20 0.56 -0.02 -1.26 -4.86 135.00 127.83 3fy6 n PRO 66 Ca 0.07 0.46 0.13 0.00 -2.02 0.00 0.00 63.50 62.15 3fy6 n PRO 66 Cb 0.60 -2.40 0.73 0.00 -0.02 0.00 0.00 33.50 32.40 3fy6 n PRO 66 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3fy6 h GLU 67 N 0.80 0.00 0.00 -0.52 4.57 -2.05 -1.56 114.58 115.83 3fy6 h GLU 67 Ca -0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3fy6 h GLU 67 Cb 1.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 3fy6 h GLU 67 CO 0.54 0.00 0.00 1.51 -1.18 0.00 0.00 179.01 179.88 3fy6 n ILE 68 N -4.27 0.91 -0.17 2.32 3.06 -1.26 -4.02 119.36 115.93 3fy6 n ILE 68 Ca 0.00 0.23 -0.02 0.00 -2.50 0.00 0.00 62.75 60.46 3fy6 n ILE 68 Cb 0.24 -1.01 0.07 0.00 0.54 0.00 0.00 39.64 39.47 3fy6 n ILE 68 CO 0.00 0.00 0.00 0.74 -2.50 0.00 0.00 176.55 174.79 3fy6 h THR 69 N 0.00 0.58 -0.88 9.51 2.02 -1.63 -0.14 112.91 122.38 3fy6 h THR 69 Ca 0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 3fy6 h THR 69 Cb 0.30 0.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 3fy6 h THR 69 CO 0.00 0.02 0.53 -0.61 0.37 0.00 0.00 175.52 175.83 3fy6 h GLN 70 N 0.11 1.20 -0.18 6.66 4.15 -1.83 -1.18 115.11 124.05 3fy6 h GLN 70 Ca 0.26 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.55 3fy6 h GLN 70 Cb 0.40 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 3fy6 h GLN 70 CO -0.44 0.84 -0.02 -0.97 -1.93 0.00 0.00 178.83 176.31 3fy6 h ASN 71 N 1.21 0.23 -0.40 -0.69 -0.73 -1.34 -1.82 115.58 112.05 3fy6 h ASN 71 Ca 0.32 -0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.42 3fy6 h ASN 71 Cb -0.05 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 38.47 3fy6 h ASN 71 CO -0.06 0.30 0.12 -0.07 -0.37 0.00 0.00 177.43 177.35 3fy6 h LEU 72 N 0.25 0.58 -0.77 0.34 3.38 0.07 -0.81 115.31 118.35 3fy6 h LEU 72 Ca 0.06 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.86 3fy6 h LEU 72 Cb 0.21 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3fy6 h LEU 72 CO 0.01 0.64 0.48 -0.26 0.09 0.00 0.00 178.44 179.40 3fy6 h PHE 73 N 0.50 0.89 -0.50 1.13 -1.00 -0.97 -0.99 116.94 116.00 3fy6 h PHE 73 Ca 0.13 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.91 3fy6 h PHE 73 Cb 0.27 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.52 3fy6 h PHE 73 CO 0.01 0.47 0.22 0.37 -1.61 0.00 0.00 178.31 177.77 3fy6 h GLN 74 N 0.90 0.73 -0.69 1.51 4.15 -1.08 -1.73 115.11 118.90 3fy6 h GLN 74 Ca 0.32 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.58 3fy6 h GLN 74 Cb 0.10 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 3fy6 h GLN 74 CO -0.14 0.63 0.27 1.25 -1.93 0.00 0.00 178.83 178.91 3fy6 h HIS 75 N 0.66 1.05 -0.45 3.99 2.76 -0.58 -0.41 115.15 122.17 3fy6 h HIS 75 Ca 0.17 -0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 3fy6 h HIS 75 Cb 0.16 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 3fy6 h HIS 75 CO -0.00 0.82 0.26 0.00 -1.30 0.00 0.00 177.93 177.70 3fy6 h ALA 76 N 1.12 0.57 -0.13 5.26 0.00 -1.00 -2.03 119.26 123.05 3fy6 h ALA 76 Ca 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3fy6 h ALA 76 Cb 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3fy6 h ALA 76 CO -0.02 0.08 0.06 2.35 0.00 0.00 0.00 179.25 181.72 3fy6 h TRP 77 N 0.59 0.19 -0.18 0.00 7.01 -1.02 -1.14 115.95 121.40 3fy6 h TRP 77 Ca 0.16 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.11 3fy6 h TRP 77 Cb 0.03 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.01 3fy6 h TRP 77 CO -0.03 0.25 -0.06 -0.07 -2.79 0.00 0.00 178.44 175.74 3fy6 h LEU 78 N 0.08 0.26 -0.01 0.65 3.38 -1.00 0.59 115.31 119.26 3fy6 h LEU 78 Ca 0.05 -0.04 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 3fy6 h LEU 78 Cb 0.13 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.82 3fy6 h LEU 78 CO -0.01 0.36 -1.12 -0.33 0.09 0.00 0.00 178.44 177.44 3fy6 h GLU 79 N 0.27 0.43 -0.54 1.13 4.39 -1.26 -3.04 114.58 115.97 3fy6 h GLU 79 Ca 0.06 -0.56 -0.07 0.00 0.34 0.00 0.00 59.36 59.13 3fy6 h GLU 79 Cb 0.29 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 3fy6 h GLU 79 CO 0.01 1.22 0.06 2.35 -1.16 0.00 0.00 179.01 181.50 3fy6 h TRP 80 N 0.20 0.92 -0.20 4.33 7.01 -0.90 -0.90 115.95 126.42 3fy6 h TRP 80 Ca -0.13 -0.12 -0.05 0.00 2.11 0.00 0.00 58.89 60.71 3fy6 h TRP 80 Cb 1.79 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 28.58 3fy6 h TRP 80 CO 0.08 0.81 -0.08 -0.09 -2.79 0.00 0.00 178.44 176.36 3fy6 h ARG 81 N 0.83 0.30 -0.46 2.65 2.43 -0.86 -0.79 114.38 118.47 3fy6 h ARG 81 Ca 0.17 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3fy6 h ARG 81 Cb 0.40 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3fy6 h ARG 81 CO 0.01 0.40 0.00 0.36 -1.51 0.00 0.00 179.97 179.23 3fy6 n LYS 82 N -4.29 2.20 -0.87 0.20 2.85 -1.15 -4.93 118.16 112.17 3fy6 n LYS 82 Ca -0.00 -1.85 0.00 0.00 -1.05 0.00 0.00 58.31 55.40 3fy6 n LYS 82 Cb 0.25 -1.43 0.00 0.00 -0.65 0.00 0.00 35.03 33.20 3fy6 n LYS 82 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3fy6 n GLY 83 N 1.34 0.50 0.19 2.58 0.00 -0.30 -4.93 105.19 104.57 3fy6 n GLY 83 Ca 0.18 -0.61 0.08 0.00 0.00 0.00 0.00 46.02 45.67 3fy6 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fy6 h ALA 84 N 0.00 0.87 -3.71 4.61 0.00 -1.35 -3.43 119.26 116.25 3fy6 h ALA 84 Ca 0.00 -0.21 -0.53 0.00 0.00 0.00 0.00 54.91 54.17 3fy6 h ALA 84 Cb 0.00 -0.04 -0.32 0.00 0.00 0.00 0.00 17.79 17.43 3fy6 h ALA 84 CO 0.00 0.29 -0.82 -0.51 0.00 0.00 0.00 179.25 178.21 3fy6 s LEU 85 N -6.39 1.81 0.85 0.00 1.43 -1.22 -4.96 118.68 110.19 3fy6 s LEU 85 Ca 0.04 -0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 52.75 3fy6 s LEU 85 Cb 0.07 -0.87 0.17 0.00 0.03 0.00 0.00 46.19 45.59 3fy6 s LEU 85 CO 0.69 0.10 1.16 1.51 0.23 0.00 0.00 176.35 180.04 3fy6 s ASP 86 N 0.27 3.70 0.20 2.29 1.47 -1.26 -4.57 116.67 118.78 3fy6 s ASP 86 Ca -0.08 -0.08 -0.10 0.00 1.18 0.00 0.00 52.55 53.48 3fy6 s ASP 86 Cb -0.13 -0.12 0.22 0.00 -0.34 0.00 0.00 42.92 42.56 3fy6 s ASP 86 CO 0.03 -2.32 1.80 0.78 0.68 0.00 0.00 175.17 176.14 3fy6 h ASN 87 N -1.10 0.51 0.64 2.11 2.35 -2.00 -1.16 115.58 116.94 3fy6 h ASN 87 Ca -0.40 0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.30 3fy6 h ASN 87 Cb 1.25 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.54 3fy6 h ASN 87 CO 0.38 0.33 -0.38 0.44 -1.65 0.00 0.00 177.43 176.56 3fy6 h ASP 88 N 0.65 0.00 0.14 5.81 3.32 -1.99 -2.53 116.42 121.81 3fy6 h ASP 88 Ca 0.29 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 57.08 3fy6 h ASP 88 Cb 0.18 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.76 3fy6 h ASP 88 CO -0.18 0.38 -1.07 -0.08 -1.72 0.00 0.00 179.24 176.57 3fy6 h GLU 89 N 0.00 0.48 -0.22 3.56 4.57 -1.64 -1.60 114.58 119.73 3fy6 h GLU 89 Ca -0.00 -0.70 -0.07 0.00 -1.18 0.00 0.00 59.36 57.40 3fy6 h GLU 89 Cb 0.80 0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 3fy6 h GLU 89 CO 0.05 1.31 -0.17 -0.24 -1.18 0.00 0.00 179.01 178.78 3fy6 h VAL 90 N -0.00 1.23 0.00 0.32 3.04 -1.25 0.76 116.25 120.34 3fy6 h VAL 90 Ca -0.17 -1.03 -0.00 0.00 -1.01 0.00 0.00 66.70 64.49 3fy6 h VAL 90 Cb 1.80 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 32.33 3fy6 h VAL 90 CO 0.20 0.33 -0.00 0.74 -1.01 0.00 0.00 177.57 177.83 3fy6 h THR 91 N 0.35 1.03 -0.67 3.17 2.02 -1.45 -1.57 112.91 115.79 3fy6 h THR 91 Ca 0.06 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 3fy6 h THR 91 Cb 0.51 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 3fy6 h THR 91 CO 0.03 0.02 0.41 0.03 0.37 0.00 0.00 175.52 176.38 3fy6 h ARG 92 N -0.04 0.91 -0.26 6.66 2.47 -0.48 -0.37 114.38 123.28 3fy6 h ARG 92 Ca -0.00 -0.08 -0.14 0.00 -1.26 0.00 0.00 59.98 58.50 3fy6 h ARG 92 Cb 0.04 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.16 3fy6 h ARG 92 CO 0.00 0.65 -0.41 0.93 0.56 0.00 0.00 179.97 181.70 3fy6 h GLU 93 N 0.92 0.61 -0.18 0.04 4.39 -0.79 -1.73 114.58 117.84 3fy6 h GLU 93 Ca 0.24 -0.32 -0.18 0.00 0.34 0.00 0.00 59.36 59.45 3fy6 h GLU 93 Cb -0.03 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3fy6 h GLU 93 CO -0.05 0.91 -0.60 -0.07 -1.16 0.00 0.00 179.01 178.05 3fy6 h LEU 94 N 0.50 0.70 -1.78 1.33 3.38 -1.10 -2.44 115.31 115.90 3fy6 h LEU 94 Ca 0.04 -0.39 0.03 0.00 0.09 0.00 0.00 57.88 57.64 3fy6 h LEU 94 Cb 0.93 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3fy6 h LEU 94 CO 0.08 1.14 0.20 -0.33 0.09 0.00 0.00 178.44 179.62 3fy6 h GLU 95 N 0.46 0.29 -0.39 1.13 5.08 -0.74 -1.02 114.58 119.38 3fy6 h GLU 95 Ca -0.00 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3fy6 h GLU 95 Cb 1.17 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 3fy6 h GLU 95 CO 0.12 0.19 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.13 3fy6 h LEU 96 N 0.30 0.67 -0.41 1.33 3.38 -0.85 0.01 115.31 119.75 3fy6 h LEU 96 Ca 0.12 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3fy6 h LEU 96 Cb 0.12 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3fy6 h LEU 96 CO -0.03 0.82 0.04 0.58 0.09 0.00 0.00 178.44 179.94 3fy6 h VAL 97 N 0.63 1.25 -0.74 1.22 2.07 -0.99 -1.20 116.25 118.49 3fy6 h VAL 97 Ca 0.11 -0.93 -0.06 0.00 0.82 0.00 0.00 66.70 66.64 3fy6 h VAL 97 Cb 0.56 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3fy6 h VAL 97 CO 0.03 0.32 0.23 0.00 0.02 0.00 0.00 177.57 178.17 3fy6 h ALA 98 N 0.91 0.97 -0.64 1.67 0.00 -0.94 -0.36 119.26 120.88 3fy6 h ALA 98 Ca 0.12 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3fy6 h ALA 98 Cb 0.41 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3fy6 h ALA 98 CO 0.01 0.66 0.42 0.37 0.00 0.00 0.00 179.25 180.71 3fy6 h GLN 99 N 1.10 0.85 0.01 0.00 4.15 -0.85 -0.10 115.11 120.27 3fy6 h GLN 99 Ca 0.24 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.61 3fy6 h GLN 99 Cb 0.31 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 3fy6 h GLN 99 CO -0.01 0.56 -0.04 2.35 -1.93 0.00 0.00 178.83 179.77 3fy6 h TRP 100 N 0.87 -0.09 -0.58 3.99 7.01 -0.68 -0.35 115.95 126.12 3fy6 h TRP 100 Ca 0.23 0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.30 3fy6 h TRP 100 Cb -0.10 0.04 -0.06 0.00 -2.10 0.00 0.00 29.16 26.95 3fy6 h TRP 100 CO -0.03 -0.06 0.28 0.28 -2.79 0.00 0.00 178.44 176.12 3fy6 h VAL 101 N -0.07 0.91 -0.53 2.65 2.07 -0.69 0.29 116.25 120.86 3fy6 h VAL 101 Ca 0.01 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 3fy6 h VAL 101 Cb 0.09 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 3fy6 h VAL 101 CO -0.03 0.10 0.18 0.78 0.02 0.00 0.00 177.57 178.61 3fy6 h ASN 102 N 0.53 0.73 -0.54 0.57 -0.26 -0.81 -1.25 115.58 114.55 3fy6 h ASN 102 Ca 0.27 -0.11 -0.10 0.00 -0.56 0.00 0.00 56.30 55.81 3fy6 h ASN 102 Cb 0.22 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.28 3fy6 h ASN 102 CO -0.21 0.68 -0.04 0.11 -1.06 0.00 0.00 177.43 176.92 3fy6 h LYS 103 N 0.77 0.98 -0.30 0.81 1.57 -0.01 0.73 116.57 121.12 3fy6 h LYS 103 Ca 0.18 -0.33 0.03 0.00 -1.87 0.00 0.00 60.65 58.65 3fy6 h LYS 103 Cb 0.21 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3fy6 h LYS 103 CO -0.01 1.00 0.13 0.28 -0.57 0.00 0.00 179.45 180.28 3fy6 h VAL 104 N 0.85 0.96 -0.13 0.50 2.07 -0.62 -0.18 116.25 119.70 3fy6 h VAL 104 Ca 0.15 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 3fy6 h VAL 104 Cb 0.59 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3fy6 h VAL 104 CO 0.04 0.05 0.07 0.74 0.02 0.00 0.00 177.57 178.49 3fy6 h THR 105 N 0.28 1.08 -0.74 2.57 2.02 -1.01 -2.59 112.91 114.52 3fy6 h THR 105 Ca 0.13 -0.23 0.11 0.00 0.77 0.00 0.00 66.41 67.19 3fy6 h THR 105 Cb 0.07 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 3fy6 h THR 105 CO -0.11 0.08 0.49 -0.08 0.37 0.00 0.00 175.52 176.27 3fy6 h GLU 106 N 0.12 0.56 -0.32 6.66 4.81 -0.56 -2.42 114.58 123.43 3fy6 h GLU 106 Ca 0.05 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3fy6 h GLU 106 Cb 0.06 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3fy6 h GLU 106 CO -0.01 0.37 0.00 0.00 -0.73 0.00 0.00 179.01 178.64 3fy6 n ALA 107 N -2.48 2.47 -1.50 2.92 0.00 -0.10 -4.97 120.51 116.84 3fy6 n ALA 107 Ca 0.13 -0.70 -0.40 0.00 0.00 0.00 0.00 53.44 52.47 3fy6 n ALA 107 Cb 0.39 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.86 3fy6 n ALA 107 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3fy6 n LYS 108 N 0.69 0.71 -1.66 0.00 5.02 -0.92 -4.84 118.16 117.17 3fy6 n LYS 108 Ca 0.16 0.26 -0.43 0.00 -2.02 0.00 0.00 58.31 56.28 3fy6 n LYS 108 Cb 0.39 -1.70 -0.01 0.00 -0.02 0.00 0.00 35.03 33.68 3fy6 n LYS 108 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3fy6 n PRO 109 N 0.22 1.87 -0.15 1.97 -0.02 -1.26 -4.92 135.00 132.71 3fy6 n PRO 109 Ca 0.11 0.66 0.09 0.00 -2.02 0.00 0.00 63.50 62.34 3fy6 n PRO 109 Cb 0.42 -2.18 0.14 0.00 -0.02 0.00 0.00 33.50 31.87 3fy6 n PRO 109 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3fy6 n ASN 110 N 1.02 2.16 -4.83 2.55 6.94 -1.26 -4.48 115.26 117.36 3fy6 n ASN 110 Ca 0.07 -3.12 -0.30 0.00 -0.02 0.00 0.00 54.58 51.21 3fy6 n ASN 110 Cb 0.34 -0.43 0.06 0.00 -2.36 0.00 0.00 39.78 37.40 3fy6 n ASN 110 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3fy6 s SER 111 N -2.82 5.09 0.22 0.53 1.04 -1.26 -4.83 113.70 111.66 3fy6 s SER 111 Ca 0.31 1.34 -0.09 0.00 0.48 0.00 0.00 55.95 57.99 3fy6 s SER 111 Cb 0.28 -2.15 0.32 0.00 0.10 0.00 0.00 66.02 64.57 3fy6 s SER 111 CO 0.02 -1.59 1.70 0.44 0.98 0.00 0.00 173.24 174.78 3fy6 h ASP 112 N -0.83 -0.03 -0.32 7.02 3.32 -1.99 -0.16 116.42 123.44 3fy6 h ASP 112 Ca -0.45 0.12 0.03 0.00 0.02 0.00 0.00 57.03 56.75 3fy6 h ASP 112 Cb 1.24 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.93 3fy6 h ASP 112 CO 0.60 -0.01 0.12 0.15 -1.72 0.00 0.00 179.24 178.38 3fy6 h PHE 113 N 0.25 0.21 0.02 4.55 3.57 -1.99 -1.23 116.94 122.31 3fy6 h PHE 113 Ca 0.33 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.64 3fy6 h PHE 113 Cb 0.51 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 3fy6 h PHE 113 CO -0.26 0.09 -0.94 -1.49 -2.23 0.00 0.00 178.31 173.48 3fy6 h TRP 114 N 0.26 0.26 -0.65 0.41 -0.00 -1.76 -3.07 115.95 111.39 3fy6 h TRP 114 Ca 0.14 -0.15 -0.06 0.00 -0.00 0.00 0.00 58.89 58.82 3fy6 h TRP 114 Cb 0.11 -0.02 -0.03 0.00 -0.00 0.00 0.00 29.16 29.22 3fy6 h TRP 114 CO -0.13 1.01 0.16 0.00 -0.00 0.00 0.00 178.44 179.47 3fy6 h ARG 115 N 0.08 1.04 0.00 0.49 3.08 -0.85 -1.70 114.38 116.51 3fy6 h ARG 115 Ca -0.05 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 3fy6 h ARG 115 Cb 1.60 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.52 3fy6 h ARG 115 CO 0.14 0.94 -0.06 0.87 -1.07 0.00 0.00 179.97 180.79 3fy6 h LYS 116 N 0.96 0.00 0.06 0.04 1.57 -1.20 -3.30 116.57 114.69 3fy6 h LYS 116 Ca 0.20 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.68 3fy6 h LYS 116 Cb 0.36 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3fy6 h LYS 116 CO 0.00 0.06 -1.67 0.98 -0.57 0.00 0.00 179.45 178.24 3fy6 n TYR 117 N -4.29 1.06 -1.64 -1.35 9.36 -0.85 -5.12 117.16 114.34 3fy6 n TYR 117 Ca -0.03 0.33 0.00 0.00 3.32 0.00 0.00 57.90 61.53 3fy6 n TYR 117 Cb 0.14 -1.12 0.00 0.00 -0.63 0.00 0.00 39.34 37.73 3fy6 n TYR 117 CO 0.00 0.00 0.00 1.97 0.22 0.00 0.00 176.86 179.05