#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fy6 n GLU -6 N 0.00 0.08 0.14 5.56 0.00 -1.26 0.32 120.64 125.49 3fy6 n GLU -6 Ca 0.00 0.54 0.13 0.00 0.00 0.00 0.00 57.16 57.83 3fy6 n GLU -6 Cb 0.00 -1.90 0.48 0.00 0.00 0.00 0.00 31.44 30.02 3fy6 n GLU -6 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 3fy6 h ASN -5 N 0.00 0.00 -0.35 -1.84 -0.26 -1.97 -2.68 115.58 108.49 3fy6 h ASN -5 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3fy6 h ASN -5 Cb 0.28 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.54 3fy6 h ASN -5 CO 0.00 0.00 0.00 0.18 -1.06 0.00 0.00 177.43 176.55 3fy6 n LEU -4 N -2.37 3.18 -4.75 1.61 4.32 0.15 -4.97 117.00 114.16 3fy6 n LEU -4 Ca 0.03 -1.56 -0.34 0.00 -0.02 0.00 0.00 56.01 54.12 3fy6 n LEU -4 Cb 0.30 -0.23 0.06 0.00 -1.62 0.00 0.00 43.42 41.93 3fy6 n LEU -4 CO 0.24 0.71 0.79 -0.31 -1.22 0.00 0.00 177.39 177.59 3fy6 s TYR -3 N -1.27 2.35 -0.66 -1.77 2.02 -1.01 -2.89 117.35 114.13 3fy6 s TYR -3 Ca 0.33 1.56 0.00 0.00 -0.37 0.00 0.00 57.07 58.59 3fy6 s TYR -3 Cb 0.19 -3.36 0.00 0.00 -0.40 0.00 0.00 41.96 38.39 3fy6 s TYR -3 CO 0.26 -2.15 0.00 1.19 -1.57 0.00 0.00 175.55 173.29 3fy6 n PHE -2 N -2.27 0.00 1.40 2.71 3.01 -1.26 -4.69 117.46 116.36 3fy6 n PHE -2 Ca 0.12 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.70 3fy6 n PHE -2 Cb 0.51 -2.35 0.67 0.00 -0.01 0.00 0.00 39.48 38.30 3fy6 n PHE -2 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fy6 n GLN -1 N -0.21 0.69 -2.29 -1.08 10.64 -1.14 -5.17 117.38 118.82 3fy6 n GLN -1 Ca -0.06 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.75 3fy6 n GLN -1 Cb 0.53 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 28.37 3fy6 n GLN -1 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 3fy6 s GLY 0 N -2.03 0.63 0.00 2.61 0.00 -1.26 -4.98 107.32 102.29 3fy6 s GLY 0 Ca 0.33 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.55 3fy6 s GLY 0 CO 0.27 3.08 0.00 -0.37 0.00 0.00 0.00 173.10 176.08 3fy6 n THR 2 N 7.15 0.00 -5.09 0.90 5.66 -0.81 -4.02 114.28 118.07 3fy6 n THR 2 Ca 0.26 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.94 3fy6 n THR 2 Cb 0.50 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.12 3fy6 n THR 2 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 3fy6 s GLU 3 N -1.83 2.80 -0.13 1.09 2.12 -1.26 -0.49 118.70 120.99 3fy6 s GLU 3 Ca 0.00 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.51 3fy6 s GLU 3 Cb 0.00 -2.32 0.02 0.00 0.26 0.00 0.00 34.13 32.09 3fy6 s GLU 3 CO 0.00 0.36 -0.12 0.08 -0.54 0.00 0.00 175.26 175.03 3fy6 s VAL 4 N -0.07 1.41 -0.28 3.70 1.01 0.15 -4.99 120.40 121.34 3fy6 s VAL 4 Ca -0.05 -0.54 -0.15 0.00 0.00 0.00 0.00 61.98 61.24 3fy6 s VAL 4 Cb -0.14 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 3fy6 s VAL 4 CO 0.04 0.43 0.37 0.20 0.00 0.00 0.00 175.10 176.14 3fy6 s ASN 5 N 1.49 6.24 -0.04 3.32 -0.87 -1.26 -0.54 114.94 123.29 3fy6 s ASN 5 Ca 0.04 0.23 0.02 0.00 -1.57 0.00 0.00 52.86 51.57 3fy6 s ASN 5 Cb -0.13 -2.21 -0.03 0.00 -0.02 0.00 0.00 41.25 38.86 3fy6 s ASN 5 CO -0.09 -0.20 -0.06 -0.76 -2.57 0.00 0.00 177.10 173.42 3fy6 s LEU 6 N 2.07 3.21 -0.39 0.60 1.43 0.21 -4.95 118.68 120.86 3fy6 s LEU 6 Ca 0.15 -0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.11 3fy6 s LEU 6 Cb -0.16 -1.76 0.07 0.00 0.03 0.00 0.00 46.19 44.36 3fy6 s LEU 6 CO 0.10 0.33 0.20 0.20 0.23 0.00 0.00 176.35 177.41 3fy6 s ASN 7 N -1.09 5.49 -0.26 2.29 -0.87 -1.26 -0.28 114.94 118.96 3fy6 s ASN 7 Ca 0.15 -1.42 -0.06 0.00 -1.57 0.00 0.00 52.86 49.96 3fy6 s ASN 7 Cb -0.11 -1.93 -0.01 0.00 -0.02 0.00 0.00 41.25 39.18 3fy6 s ASN 7 CO 0.04 -0.46 0.04 -0.63 -2.57 0.00 0.00 177.10 173.52 3fy6 s ILE 8 N 1.39 3.91 0.01 0.60 -1.09 0.17 -4.86 121.20 121.33 3fy6 s ILE 8 Ca 0.02 -0.44 -0.30 0.00 -2.23 0.00 0.00 60.65 57.69 3fy6 s ILE 8 Cb -0.22 -2.88 -0.07 0.00 -1.58 0.00 0.00 42.46 37.72 3fy6 s ILE 8 CO 0.02 0.28 1.56 -0.47 -1.23 0.00 0.00 174.94 175.10 3fy6 s TYR 9 N 1.53 2.47 -0.37 3.97 5.04 -1.26 0.71 117.35 129.44 3fy6 s TYR 9 Ca 0.05 0.47 -0.11 0.00 -2.44 0.00 0.00 57.07 55.04 3fy6 s TYR 9 Cb -0.16 -3.84 0.02 0.00 0.35 0.00 0.00 41.96 38.34 3fy6 s TYR 9 CO 0.01 -3.34 0.21 0.45 -1.34 0.00 0.00 175.55 171.54 3fy6 s SER 10 N 2.45 5.75 0.57 4.32 0.15 0.30 -4.88 113.70 122.36 3fy6 s SER 10 Ca 0.70 -0.94 0.31 0.00 0.70 0.00 0.00 55.95 56.72 3fy6 s SER 10 Cb -0.35 -2.03 1.72 0.00 -1.71 0.00 0.00 66.02 63.65 3fy6 s SER 10 CO 0.29 -0.37 2.17 -0.65 1.20 0.00 0.00 173.24 175.88 3fy6 h PRO 11 N 8.45 0.00 -0.30 5.44 0.11 -1.77 0.27 132.00 144.19 3fy6 h PRO 11 Ca -0.26 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 3fy6 h PRO 11 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3fy6 h PRO 11 CO 0.67 0.06 0.06 -0.09 -0.21 0.00 0.00 178.00 178.48 3fy6 h ARG 12 N 0.00 0.50 -0.01 1.05 2.43 -1.77 -3.24 114.38 113.33 3fy6 h ARG 12 Ca -0.00 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3fy6 h ARG 12 Cb 0.19 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3fy6 h ARG 12 CO 0.01 0.58 -0.69 0.91 -1.51 0.00 0.00 179.97 179.28 3fy6 n TRP 13 N -4.64 0.00 -2.43 2.20 7.02 -0.89 -4.98 117.44 113.72 3fy6 n TRP 13 Ca -0.02 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.31 3fy6 n TRP 13 Cb 0.20 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.08 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 1.45 -0.18 3.44 6.99 0.00 0.90 -4.99 105.19 112.80 3fy6 n GLY 14 Ca 0.07 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.90 1.28 0.18 1.61 1.70 -1.12 -4.99 118.95 112.71 3fy6 s ARG 15 Ca 0.07 -0.60 -0.30 0.00 -0.47 0.00 0.00 55.73 54.43 3fy6 s ARG 15 Cb -0.03 0.56 -0.08 0.00 -0.57 0.00 0.00 34.95 34.83 3fy6 s ARG 15 CO 0.08 -0.55 1.25 -1.01 -1.08 0.00 0.00 175.30 173.99 3fy6 s HIS 16 N -3.79 3.36 -0.03 5.89 3.76 -1.26 -0.54 115.29 122.68 3fy6 s HIS 16 Ca 0.03 1.32 0.02 0.00 -0.15 0.00 0.00 55.06 56.28 3fy6 s HIS 16 Cb -0.01 -3.51 -0.03 0.00 1.11 0.00 0.00 32.58 30.15 3fy6 s HIS 16 CO -0.10 -1.51 -0.08 -1.21 -0.85 0.00 0.00 174.74 170.98 3fy6 s GLU 17 N -0.03 2.61 -0.29 1.40 0.41 0.22 -4.86 118.70 118.15 3fy6 s GLU 17 Ca 0.55 -0.66 -0.24 0.00 -0.41 0.00 0.00 54.97 54.21 3fy6 s GLU 17 Cb -0.34 -2.52 -0.00 0.00 -1.78 0.00 0.00 34.13 29.49 3fy6 s GLU 17 CO 0.36 0.63 0.80 0.99 -0.49 0.00 0.00 175.26 177.55 3fy6 s THR 18 N -0.90 4.79 -0.26 3.63 2.01 -1.26 -0.65 115.64 123.00 3fy6 s THR 18 Ca 0.15 1.27 -0.10 0.00 0.31 0.00 0.00 61.69 63.32 3fy6 s THR 18 Cb -0.11 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 3fy6 s THR 18 CO 0.04 -0.22 0.15 -0.31 -0.69 0.00 0.00 174.62 173.60 3fy6 s TYR 19 N 2.95 3.20 -0.25 4.92 1.51 0.61 -4.40 117.35 125.89 3fy6 s TYR 19 Ca 0.33 -0.01 -0.15 0.00 -1.01 0.00 0.00 57.07 56.24 3fy6 s TYR 19 Cb -0.14 -2.32 -0.04 0.00 -0.11 0.00 0.00 41.96 39.35 3fy6 s TYR 19 CO 0.12 -0.17 0.36 0.42 -1.11 0.00 0.00 175.55 175.16 3fy6 s ILE 20 N 1.60 5.20 -0.38 2.71 1.01 0.65 -0.61 121.20 131.37 3fy6 s ILE 20 Ca 0.07 0.55 -0.12 0.00 0.00 0.00 0.00 60.65 61.15 3fy6 s ILE 20 Cb -0.15 -3.68 0.02 0.00 0.01 0.00 0.00 42.46 38.65 3fy6 s ILE 20 CO 0.08 0.19 0.23 -0.69 0.00 0.00 0.00 174.94 174.76 3fy6 s VAL 21 N 1.83 4.83 -0.28 2.92 1.01 0.30 -0.41 120.40 130.61 3fy6 s VAL 21 Ca 0.15 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 3fy6 s VAL 21 Cb -0.15 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 3fy6 s VAL 21 CO 0.09 -0.22 0.33 -1.61 0.00 0.00 0.00 175.10 173.68 3fy6 s GLU 22 N 1.61 3.94 -0.24 2.72 2.02 0.13 -0.67 118.70 128.20 3fy6 s GLU 22 Ca 0.03 -0.11 -0.08 0.00 0.02 0.00 0.00 54.97 54.83 3fy6 s GLU 22 Cb -0.19 -3.68 -0.04 0.00 0.10 0.00 0.00 34.13 30.33 3fy6 s GLU 22 CO 0.08 -0.29 0.10 -0.51 0.02 0.00 0.00 175.26 174.66 3fy6 s LEU 23 N 1.99 3.66 0.24 1.80 1.43 0.36 -0.67 118.68 127.48 3fy6 s LEU 23 Ca 0.13 -0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.19 3fy6 s LEU 23 Cb -0.16 -1.98 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 3fy6 s LEU 23 CO 0.10 0.01 -0.07 -1.00 0.23 0.00 0.00 176.35 175.62 3fy6 s HIS 24 N 1.36 1.74 0.27 0.29 3.76 0.14 -1.92 115.29 120.93 3fy6 s HIS 24 Ca 0.06 -0.72 -0.02 0.00 -0.15 0.00 0.00 55.06 54.22 3fy6 s HIS 24 Cb -0.15 -0.94 0.38 0.00 1.11 0.00 0.00 32.58 32.98 3fy6 s HIS 24 CO 0.05 0.21 1.82 -0.22 -0.85 0.00 0.00 174.74 175.75 3fy6 h LYS 25 N 2.44 0.85 0.00 1.40 3.64 -1.94 -2.92 116.57 120.04 3fy6 h LYS 25 Ca -0.39 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 58.79 3fy6 h LYS 25 Cb 1.22 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3fy6 h LYS 25 CO 0.65 0.76 -0.36 -0.44 -2.27 0.00 0.00 179.45 177.79 3fy6 h ASP 26 N 0.82 0.00 0.00 4.20 3.32 -1.95 -3.45 116.42 119.36 3fy6 h ASP 26 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3fy6 h ASP 26 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3fy6 h ASP 26 CO -0.00 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 177.66 3fy6 n TYR 27 N -3.04 0.00 -3.64 4.55 4.11 -1.10 -1.91 117.16 116.13 3fy6 n TYR 27 Ca 0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.82 3fy6 n TYR 27 Cb 0.60 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.87 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 2.50 0.59 -0.11 -3.48 2.02 0.16 0.23 118.70 120.61 3fy6 s GLU 29 Ca 0.00 0.72 0.02 0.00 0.02 0.00 0.00 54.97 55.73 3fy6 s GLU 29 Cb 0.00 0.28 0.01 0.00 0.10 0.00 0.00 34.13 34.53 3fy6 s GLU 29 CO 0.00 -0.07 -0.18 0.42 0.02 0.00 0.00 175.26 175.45 3fy6 s ILE 30 N 0.32 1.70 0.10 -1.63 1.01 0.08 0.21 121.20 122.98 3fy6 s ILE 30 Ca 0.02 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.91 3fy6 s ILE 30 Cb -0.05 -1.52 -0.00 0.00 0.01 0.00 0.00 42.46 40.89 3fy6 s ILE 30 CO -0.05 0.48 0.04 -1.20 0.00 0.00 0.00 174.94 174.21 3fy6 n SER 31 N 4.08 0.98 0.00 3.58 7.64 0.45 -1.20 113.62 129.16 3fy6 n SER 31 Ca -0.19 -1.53 0.00 0.00 1.01 0.00 0.00 58.87 58.16 3fy6 n SER 31 Cb 0.51 0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 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 1.54 0.00 0.00 0.23 0.00 -1.26 -0.26 105.19 105.44 3fy6 n GLY 33 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 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 3.10 -2.11 4.61 0.00 -1.26 -4.95 120.51 119.89 3fy6 n ALA 34 Ca 0.00 -0.36 -0.39 0.00 0.00 0.00 0.00 53.44 52.69 3fy6 n ALA 34 Cb 0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 19.45 18.90 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 -2.68 4.54 -0.03 0.00 1.01 -1.26 -5.07 120.40 116.92 3fy6 s VAL 35 Ca -0.00 1.45 0.01 0.00 0.00 0.00 0.00 61.98 63.43 3fy6 s VAL 35 Cb 0.10 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.49 3fy6 s VAL 35 CO 0.58 0.49 -0.01 -0.89 0.00 0.00 0.00 175.10 175.27 3fy6 s THR 36 N -1.19 0.26 0.29 3.92 2.01 -1.26 -4.30 115.64 115.37 3fy6 s THR 36 Ca 0.34 0.01 0.11 0.00 0.31 0.00 0.00 61.69 62.46 3fy6 s THR 36 Cb -0.21 -0.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.93 3fy6 s THR 36 CO 0.23 0.15 -0.14 0.27 -0.69 0.00 0.00 174.62 174.44 3fy6 s ILE 37 N 0.81 2.59 -0.07 1.82 -4.36 -0.34 -4.96 121.20 116.68 3fy6 s ILE 37 Ca -0.09 -2.27 -0.06 0.00 -0.26 0.00 0.00 60.65 57.97 3fy6 s ILE 37 Cb -0.12 -2.47 0.02 0.00 1.25 0.00 0.00 42.46 41.14 3fy6 s ILE 37 CO -0.01 -0.35 0.19 -0.75 0.24 0.00 0.00 174.94 174.26 3fy6 s LYS 38 N -3.57 0.20 -0.09 0.37 2.20 -1.26 -0.74 119.74 116.86 3fy6 s LYS 38 Ca 0.31 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 56.23 3fy6 s LYS 38 Cb -0.04 0.05 -0.03 0.00 -1.51 0.00 0.00 37.83 36.30 3fy6 s LYS 38 CO 0.16 -0.06 -0.08 0.00 -0.36 0.00 0.00 175.35 175.02 3fy6 s ALA 39 N 0.36 2.93 0.09 3.13 0.00 -1.26 -0.63 121.76 126.38 3fy6 s ALA 39 Ca -0.02 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.13 3fy6 s ALA 39 Cb -0.04 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.79 3fy6 s ALA 39 CO -0.02 0.49 -0.20 0.95 0.00 0.00 0.00 175.76 176.98 3fy6 s THR 40 N -0.51 1.60 -0.47 0.00 -4.23 0.26 -4.35 115.64 107.94 3fy6 s THR 40 Ca 0.08 -1.49 -0.23 0.00 -1.18 0.00 0.00 61.69 58.87 3fy6 s THR 40 Cb -0.12 -1.47 0.03 0.00 1.34 0.00 0.00 72.50 72.28 3fy6 s THR 40 CO 0.02 -0.08 0.78 -0.47 -0.54 0.00 0.00 174.62 174.33 3fy6 s TYR 41 N -1.17 2.98 0.92 3.99 5.04 -0.80 -0.34 117.35 127.96 3fy6 s TYR 41 Ca 0.05 0.07 -0.12 0.00 -2.44 0.00 0.00 57.07 54.64 3fy6 s TYR 41 Cb -0.10 -3.68 0.14 0.00 0.35 0.00 0.00 41.96 38.67 3fy6 s TYR 41 CO 0.04 -1.03 1.09 -1.54 -1.34 0.00 0.00 175.55 172.77 3fy6 s SER 42 N 2.25 3.29 0.55 4.32 1.04 0.11 -4.85 113.70 120.40 3fy6 s SER 42 Ca 0.28 1.46 0.26 0.00 0.48 0.00 0.00 55.95 58.43 3fy6 s SER 42 Cb -0.13 -2.13 1.59 0.00 0.10 0.00 0.00 66.02 65.45 3fy6 s SER 42 CO 0.21 -2.75 2.17 -0.08 0.98 0.00 0.00 173.24 173.77 3fy6 h GLU 43 N -1.63 0.00 -0.14 4.02 4.81 -1.96 0.91 114.58 120.60 3fy6 h GLU 43 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3fy6 h GLU 43 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 3fy6 h GLU 43 CO 0.55 0.05 0.00 -1.71 -0.73 0.00 0.00 179.01 177.17 3fy6 n ASN 44 N -3.90 0.85 -2.78 1.04 5.15 -1.26 -4.87 115.26 109.48 3fy6 n ASN 44 Ca -0.03 -1.88 -0.18 0.00 -0.60 0.00 0.00 54.58 51.89 3fy6 n ASN 44 Cb 0.14 -0.09 0.05 0.00 -0.53 0.00 0.00 39.78 39.35 3fy6 n ASN 44 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fy6 n GLN 45 N -0.09 -5.65 -5.11 1.20 6.02 0.32 -5.02 117.38 109.05 3fy6 n GLN 45 Ca 0.08 0.66 -0.31 0.00 -0.01 0.00 0.00 57.00 57.41 3fy6 n GLN 45 Cb 0.15 -5.12 -0.15 0.00 1.02 0.00 0.00 30.24 26.14 3fy6 n GLN 45 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3fy6 s ASP 46 N -3.14 3.41 0.39 1.08 1.01 -1.25 -4.90 116.67 113.27 3fy6 s ASP 46 Ca 0.41 -0.39 -0.26 0.00 0.71 0.00 0.00 52.55 53.02 3fy6 s ASP 46 Cb -0.18 -0.51 -0.09 0.00 1.01 0.00 0.00 42.92 43.15 3fy6 s ASP 46 CO 0.50 0.32 1.22 -2.84 0.21 0.00 0.00 175.17 174.58 3fy6 s PRO 47 N -0.75 4.08 -0.03 8.23 0.02 -1.26 0.04 135.00 145.32 3fy6 s PRO 47 Ca 0.11 1.97 -0.01 0.00 0.02 0.00 0.00 61.00 63.08 3fy6 s PRO 47 Cb -0.10 -2.76 0.03 0.00 0.02 0.00 0.00 34.50 31.69 3fy6 s PRO 47 CO 0.00 -0.34 0.06 -2.00 -0.33 0.00 0.00 177.00 174.40 3fy6 s GLU 48 N -2.19 -0.03 0.18 5.54 2.12 0.53 -4.87 118.70 119.99 3fy6 s GLU 48 Ca 0.56 0.28 0.04 0.00 0.36 0.00 0.00 54.97 56.21 3fy6 s GLU 48 Cb -0.34 -0.30 -0.03 0.00 0.26 0.00 0.00 34.13 33.72 3fy6 s GLU 48 CO 0.43 -0.21 0.26 -1.58 -0.54 0.00 0.00 175.26 173.61 3fy6 s TRP 49 N 1.41 3.37 1.11 5.30 0.52 -1.26 -0.57 118.94 128.82 3fy6 s TRP 49 Ca -0.05 0.04 -0.12 0.00 0.02 0.00 0.00 56.10 55.99 3fy6 s TRP 49 Cb -0.13 -1.59 0.25 0.00 -1.15 0.00 0.00 33.47 30.86 3fy6 s TRP 49 CO -0.04 0.50 1.05 -1.54 0.02 0.00 0.00 176.95 176.95 3fy6 s SER 50 N -3.39 1.43 0.13 2.95 1.04 0.20 -4.94 113.70 111.11 3fy6 s SER 50 Ca 0.33 1.56 -0.14 0.00 0.48 0.00 0.00 55.95 58.18 3fy6 s SER 50 Cb -0.10 -2.29 -0.00 0.00 0.10 0.00 0.00 66.02 63.73 3fy6 s SER 50 CO 0.27 -3.93 1.60 -0.08 0.98 0.00 0.00 173.24 172.08 3fy6 h GLU 51 N -2.44 0.74 -6.66 4.02 4.57 -1.99 -3.42 114.58 109.40 3fy6 h GLU 51 Ca -0.58 -0.22 -0.52 0.00 -1.18 0.00 0.00 59.36 56.86 3fy6 h GLU 51 Cb 1.32 -0.08 0.03 0.00 -0.16 0.00 0.00 28.75 29.86 3fy6 h GLU 51 CO 0.50 0.79 0.61 -2.00 -1.18 0.00 0.00 179.01 177.73 3fy6 s GLU 52 N -5.10 4.43 0.42 1.92 2.56 -1.26 -5.03 118.70 116.64 3fy6 s GLU 52 Ca -0.13 1.97 0.07 0.00 0.00 0.00 0.00 54.97 56.88 3fy6 s GLU 52 Cb 0.10 -3.22 -0.04 0.00 2.00 0.00 0.00 34.13 32.97 3fy6 s GLU 52 CO 0.79 -0.19 0.23 0.95 -0.56 0.00 0.00 175.26 176.48 3fy6 s THR 53 N 0.11 2.32 0.17 -1.70 -4.23 -1.26 -4.72 115.64 106.33 3fy6 s THR 53 Ca 0.55 -1.62 -0.13 0.00 -1.18 0.00 0.00 61.69 59.32 3fy6 s THR 53 Cb -0.35 -2.94 0.08 0.00 1.34 0.00 0.00 72.50 70.64 3fy6 s THR 53 CO 0.37 0.00 1.78 0.25 -0.54 0.00 0.00 174.62 176.48 3fy6 h LEU 54 N 1.31 0.75 -0.48 4.79 5.85 -1.97 -2.61 115.31 122.94 3fy6 h LEU 54 Ca -0.42 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.29 3fy6 h LEU 54 Cb 1.26 -0.19 -0.10 0.00 0.37 0.00 0.00 40.66 42.00 3fy6 h LEU 54 CO 0.67 0.64 -0.17 1.56 -0.34 0.00 0.00 178.44 180.80 3fy6 h GLN 55 N 0.80 -0.06 -0.43 1.25 1.08 -1.96 -1.62 115.11 114.17 3fy6 h GLN 55 Ca 0.21 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.50 3fy6 h GLN 55 Cb 0.07 0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 27.42 3fy6 h GLN 55 CO -0.03 -0.04 -0.23 -0.44 -0.95 0.00 0.00 178.83 177.14 3fy6 h ASP 56 N -0.06 -0.78 0.00 1.46 3.32 -1.87 0.76 116.42 119.24 3fy6 h ASP 56 Ca 0.23 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.45 3fy6 h ASP 56 Cb 0.42 0.41 0.00 0.00 0.22 0.00 0.00 39.33 40.37 3fy6 h ASP 56 CO -0.53 -0.25 0.00 -0.38 -1.72 0.00 0.00 179.24 176.36 3fy6 n ILE 57 N -5.40 0.00 0.00 0.35 5.41 -0.61 -2.86 119.36 116.26 3fy6 n ILE 57 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 3fy6 n ILE 57 Cb 0.31 -0.32 0.00 0.00 -0.71 0.00 0.00 39.64 38.91 3fy6 n ILE 57 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3fy6 n ASN 59 N -0.15 0.00 0.18 4.38 5.03 0.26 -3.46 115.26 121.51 3fy6 n ASN 59 Ca 0.00 0.00 0.14 0.00 0.87 0.00 0.00 54.58 55.59 3fy6 n ASN 59 Cb 0.00 0.00 0.57 0.00 -1.02 0.00 0.00 39.78 39.33 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 0.00 -0.61 6.41 -1.24 -1.73 -1.26 115.58 117.14 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 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 3fy6 h ASN 60 CO 0.00 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 176.61 3fy6 n ASP 61 N -2.51 3.75 -2.52 1.15 8.00 -1.22 -4.93 116.55 118.27 3fy6 n ASP 61 Ca 0.01 -1.99 -0.20 0.00 0.71 0.00 0.00 54.79 53.32 3fy6 n ASP 61 Cb 0.24 -0.40 0.01 0.00 -0.02 0.00 0.00 41.12 40.95 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 1.54 -5.68 -4.56 -2.24 7.64 -0.48 -2.56 113.62 107.29 3fy6 n SER 62 Ca 0.22 -0.15 -0.35 0.00 1.01 0.00 0.00 58.87 59.60 3fy6 n SER 62 Cb 0.61 -4.60 -0.11 0.00 -1.01 0.00 0.00 64.21 59.10 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 -3.05 4.50 -0.65 0.44 1.01 -1.26 -4.47 120.40 116.92 3fy6 s VAL 63 Ca 0.15 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.05 3fy6 s VAL 63 Cb -0.07 -3.04 0.17 0.00 0.00 0.00 0.00 36.38 33.44 3fy6 s VAL 63 CO 0.19 0.43 0.45 -0.31 0.00 0.00 0.00 175.10 175.86 3fy6 s TYR 64 N 0.70 3.22 0.71 5.22 2.02 -1.26 -2.85 117.35 125.10 3fy6 s TYR 64 Ca 0.02 -3.19 -0.11 0.00 -0.37 0.00 0.00 57.07 53.43 3fy6 s TYR 64 Cb -0.13 -2.49 0.03 0.00 -0.40 0.00 0.00 41.96 38.96 3fy6 s TYR 64 CO 0.02 -0.60 1.08 -1.25 -1.57 0.00 0.00 175.55 173.23 3fy6 s PRO 65 N -1.15 2.71 0.55 -1.71 0.05 -1.26 -4.89 135.00 129.30 3fy6 s PRO 65 Ca 0.25 0.32 -0.19 0.00 0.05 0.00 0.00 61.00 61.43 3fy6 s PRO 65 Cb -0.06 -2.05 -0.07 0.00 0.05 0.00 0.00 34.50 32.37 3fy6 s PRO 65 CO -0.15 -1.08 0.80 -2.30 0.05 0.00 0.00 177.00 174.32 3fy6 n PRO 66 N -3.00 0.83 0.21 0.56 -0.02 -1.26 -4.85 135.00 127.47 3fy6 n PRO 66 Ca 0.07 0.32 0.14 0.00 -2.02 0.00 0.00 63.50 62.01 3fy6 n PRO 66 Cb 0.58 -1.95 0.77 0.00 -0.02 0.00 0.00 33.50 32.88 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 0.60 0.00 -0.00 -0.52 4.57 -2.05 -1.87 114.58 115.31 3fy6 h GLU 67 Ca -0.46 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 3fy6 h GLU 67 Cb 1.37 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.96 3fy6 h GLU 67 CO 0.51 0.00 -0.00 0.44 -1.18 0.00 0.00 179.01 178.77 3fy6 n ILE 68 N -4.12 0.00 -0.12 2.32 -6.64 -1.26 -4.19 119.36 105.35 3fy6 n ILE 68 Ca 0.00 -0.02 -0.06 0.00 -1.77 0.00 0.00 62.75 60.90 3fy6 n ILE 68 Cb 0.24 -0.40 0.02 0.00 -1.44 0.00 0.00 39.64 38.06 3fy6 n ILE 68 CO 0.00 0.00 0.00 0.74 -1.77 0.00 0.00 176.55 175.52 3fy6 h THR 69 N 0.22 0.94 -0.45 7.28 2.02 -1.68 -0.54 112.91 120.70 3fy6 h THR 69 Ca 0.00 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 3fy6 h THR 69 Cb 0.07 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3fy6 h THR 69 CO 0.00 0.06 0.23 -0.61 0.37 0.00 0.00 175.52 175.58 3fy6 h GLN 70 N 0.35 0.62 -0.35 6.66 4.15 -1.83 -1.61 115.11 123.11 3fy6 h GLN 70 Ca 0.17 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.45 3fy6 h GLN 70 Cb 0.11 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 3fy6 h GLN 70 CO -0.14 0.47 -0.12 -0.97 -1.93 0.00 0.00 178.83 176.14 3fy6 h ASN 71 N 0.62 0.58 -0.51 -0.69 -0.73 -1.40 -1.20 115.58 112.25 3fy6 h ASN 71 Ca 0.16 -0.16 -0.04 0.00 1.87 0.00 0.00 56.30 58.13 3fy6 h ASN 71 Cb 0.04 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.45 3fy6 h ASN 71 CO -0.02 0.73 0.17 -0.07 -0.37 0.00 0.00 177.43 177.87 3fy6 h LEU 72 N 0.55 0.74 -0.80 0.34 3.38 -0.33 -0.59 115.31 118.60 3fy6 h LEU 72 Ca 0.10 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.91 3fy6 h LEU 72 Cb 0.53 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 3fy6 h LEU 72 CO 0.03 0.75 0.50 -0.26 0.09 0.00 0.00 178.44 179.55 3fy6 h PHE 73 N 0.70 0.94 0.02 1.13 -1.00 -0.90 -1.45 116.94 116.37 3fy6 h PHE 73 Ca 0.17 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.97 3fy6 h PHE 73 Cb 0.26 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 39.52 3fy6 h PHE 73 CO 0.01 0.52 -0.01 0.37 -1.61 0.00 0.00 178.31 177.59 3fy6 h GLN 74 N 0.96 -0.02 -0.37 1.51 4.15 -0.77 -1.85 115.11 118.72 3fy6 h GLN 74 Ca 0.33 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.77 3fy6 h GLN 74 Cb 0.06 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 3fy6 h GLN 74 CO -0.13 -0.01 0.22 1.25 -1.93 0.00 0.00 178.83 178.23 3fy6 h HIS 75 N -0.03 0.41 -0.48 3.99 2.76 -0.69 0.16 115.15 121.26 3fy6 h HIS 75 Ca -0.00 0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.27 3fy6 h HIS 75 Cb 0.03 -0.13 -0.07 0.00 1.55 0.00 0.00 27.41 28.79 3fy6 h HIS 75 CO -0.08 0.24 0.06 0.00 -1.30 0.00 0.00 177.93 176.85 3fy6 h ALA 76 N 1.16 0.51 -0.20 5.26 0.00 -1.19 -0.54 119.26 124.26 3fy6 h ALA 76 Ca 0.15 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3fy6 h ALA 76 Cb 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3fy6 h ALA 76 CO -0.07 -0.34 0.09 2.35 0.00 0.00 0.00 179.25 181.28 3fy6 h TRP 77 N 0.18 0.30 -0.78 0.00 7.01 -0.44 -1.14 115.95 121.09 3fy6 h TRP 77 Ca 0.24 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.24 3fy6 h TRP 77 Cb 0.34 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.27 3fy6 h TRP 77 CO -0.25 0.34 0.52 -0.07 -2.79 0.00 0.00 178.44 176.18 3fy6 h LEU 78 N 0.18 0.86 -0.07 0.65 3.38 -0.43 0.11 115.31 120.00 3fy6 h LEU 78 Ca 0.07 -0.02 -0.25 0.00 0.09 0.00 0.00 57.88 57.77 3fy6 h LEU 78 Cb 0.16 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 40.72 3fy6 h LEU 78 CO -0.01 0.61 -0.98 -0.33 0.09 0.00 0.00 178.44 177.83 3fy6 h GLU 79 N 1.01 0.65 -0.19 1.13 4.39 -0.90 -3.15 114.58 117.52 3fy6 h GLU 79 Ca 0.30 -0.67 -0.01 0.00 0.34 0.00 0.00 59.36 59.31 3fy6 h GLU 79 Cb -0.04 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3fy6 h GLU 79 CO -0.08 1.27 0.06 2.35 -1.16 0.00 0.00 179.01 181.45 3fy6 h TRP 80 N 0.38 0.31 0.00 4.33 7.01 -0.85 -0.68 115.95 126.45 3fy6 h TRP 80 Ca -0.11 -0.03 -0.00 0.00 2.11 0.00 0.00 58.89 60.86 3fy6 h TRP 80 Cb 1.62 -0.09 -0.00 0.00 -2.10 0.00 0.00 29.16 28.59 3fy6 h TRP 80 CO 0.09 0.38 -0.01 0.07 -2.79 0.00 0.00 178.44 176.18 3fy6 h ARG 81 N 0.14 0.00 -0.67 2.65 0.11 -0.84 -1.43 114.38 114.34 3fy6 h ARG 81 Ca 0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.14 3fy6 h ARG 81 Cb 0.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.30 3fy6 h ARG 81 CO -0.00 0.01 0.00 0.36 0.10 0.00 0.00 179.97 180.44 3fy6 n LYS 82 N -4.07 3.36 -0.68 0.08 2.85 -1.18 -4.93 118.16 113.59 3fy6 n LYS 82 Ca -0.03 -2.70 0.00 0.00 -1.05 0.00 0.00 58.31 54.53 3fy6 n LYS 82 Cb 0.10 -1.79 0.00 0.00 -0.65 0.00 0.00 35.03 32.69 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 1.26 0.77 0.25 2.58 0.00 -0.54 -4.72 105.19 104.80 3fy6 n GLY 83 Ca 0.25 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.41 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 1.00 -3.92 4.61 0.00 -1.30 -3.44 119.26 116.21 3fy6 h ALA 84 Ca 0.00 -0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.50 3fy6 h ALA 84 Cb 0.00 -0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.49 3fy6 h ALA 84 CO 0.00 0.00 -0.78 -0.51 0.00 0.00 0.00 179.25 177.96 3fy6 s LEU 85 N -6.20 1.89 0.00 0.00 1.43 -1.18 -4.92 118.68 109.71 3fy6 s LEU 85 Ca 0.04 -0.17 -0.08 0.00 -1.03 0.00 0.00 54.13 52.89 3fy6 s LEU 85 Cb 0.07 -0.50 0.18 0.00 0.03 0.00 0.00 46.19 45.98 3fy6 s LEU 85 CO 0.60 0.08 1.17 -0.90 0.23 0.00 0.00 176.35 177.53 3fy6 n ASP 86 N 3.09 0.80 -0.30 2.29 5.68 -1.26 -4.57 116.55 122.27 3fy6 n ASP 86 Ca -0.16 -1.85 -0.03 0.00 -0.50 0.00 0.00 54.79 52.24 3fy6 n ASP 86 Cb 0.56 -0.83 0.08 0.00 -1.14 0.00 0.00 41.12 39.79 3fy6 n ASP 86 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3fy6 h ASN 87 N -1.13 0.93 0.06 -1.12 2.35 -1.97 -1.70 115.58 113.00 3fy6 h ASN 87 Ca -0.38 -0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.19 3fy6 h ASN 87 Cb 1.22 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.36 3fy6 h ASN 87 CO 0.34 0.66 -0.54 -0.78 -1.65 0.00 0.00 177.43 175.46 3fy6 h ASP 88 N 1.10 0.57 -0.23 5.81 3.58 -2.00 -2.76 116.42 122.49 3fy6 h ASP 88 Ca 0.31 -0.30 -0.08 0.00 0.42 0.00 0.00 57.03 57.38 3fy6 h ASP 88 Cb -0.09 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 40.79 3fy6 h ASP 88 CO -0.08 1.00 -0.19 -0.33 -2.88 0.00 0.00 179.24 176.76 3fy6 h GLU 89 N 0.40 0.53 -0.38 0.28 5.08 -1.83 -1.84 114.58 116.81 3fy6 h GLU 89 Ca 0.01 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 3fy6 h GLU 89 Cb 1.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 3fy6 h GLU 89 CO 0.10 0.84 0.14 -0.24 -1.00 0.00 0.00 179.01 178.85 3fy6 h VAL 90 N 0.23 1.16 0.11 3.13 3.04 -1.34 0.13 116.25 122.69 3fy6 h VAL 90 Ca 0.04 -0.50 -0.01 0.00 -1.01 0.00 0.00 66.70 65.23 3fy6 h VAL 90 Cb 0.72 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 3fy6 h VAL 90 CO 0.05 0.19 -0.05 0.74 -1.01 0.00 0.00 177.57 177.49 3fy6 h THR 91 N 0.54 0.94 -0.55 3.17 2.02 -1.31 0.02 112.91 117.74 3fy6 h THR 91 Ca 0.13 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3fy6 h THR 91 Cb 0.14 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 3fy6 h THR 91 CO -0.01 0.04 0.35 0.03 0.37 0.00 0.00 175.52 176.30 3fy6 h ARG 92 N -0.22 0.74 -0.54 6.66 2.47 -0.59 -0.11 114.38 122.79 3fy6 h ARG 92 Ca -0.01 -0.06 -0.09 0.00 -1.26 0.00 0.00 59.98 58.56 3fy6 h ARG 92 Cb 0.18 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.32 3fy6 h ARG 92 CO 0.02 0.52 -0.00 0.93 0.56 0.00 0.00 179.97 182.00 3fy6 h GLU 93 N 0.75 0.95 -0.55 0.04 4.39 -0.59 -2.06 114.58 117.51 3fy6 h GLU 93 Ca 0.20 -0.31 -0.08 0.00 0.34 0.00 0.00 59.36 59.51 3fy6 h GLU 93 Cb -0.05 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 3fy6 h GLU 93 CO -0.04 0.97 0.01 -0.07 -1.16 0.00 0.00 179.01 178.72 3fy6 h LEU 94 N 0.83 0.90 -1.56 1.33 3.38 -0.84 -2.45 115.31 116.90 3fy6 h LEU 94 Ca 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3fy6 h LEU 94 Cb 0.54 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3fy6 h LEU 94 CO 0.03 0.95 0.19 -0.33 0.09 0.00 0.00 178.44 179.37 3fy6 h GLU 95 N 0.86 0.49 -0.45 1.13 5.08 -0.68 -1.12 114.58 119.89 3fy6 h GLU 95 Ca 0.16 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3fy6 h GLU 95 Cb 0.49 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3fy6 h GLU 95 CO 0.02 0.37 0.04 -0.07 -1.00 0.00 0.00 179.01 178.37 3fy6 h LEU 96 N 0.50 0.66 -0.31 1.33 3.38 -0.90 0.34 115.31 120.30 3fy6 h LEU 96 Ca 0.13 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3fy6 h LEU 96 Cb 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3fy6 h LEU 96 CO -0.02 0.71 -0.01 0.58 0.09 0.00 0.00 178.44 179.79 3fy6 h VAL 97 N 0.67 1.26 -0.79 1.22 2.07 -1.05 -0.88 116.25 118.76 3fy6 h VAL 97 Ca 0.14 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.71 3fy6 h VAL 97 Cb 0.36 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 3fy6 h VAL 97 CO 0.01 0.31 0.52 0.00 0.02 0.00 0.00 177.57 178.43 3fy6 h ALA 98 N 0.84 1.00 -0.77 1.67 0.00 -1.00 -0.18 119.26 120.82 3fy6 h ALA 98 Ca 0.09 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3fy6 h ALA 98 Cb 0.45 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3fy6 h ALA 98 CO 0.02 0.40 0.49 0.37 0.00 0.00 0.00 179.25 180.53 3fy6 h GLN 99 N 1.05 0.94 0.08 0.00 4.15 -0.72 -0.72 115.11 119.89 3fy6 h GLN 99 Ca 0.29 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.66 3fy6 h GLN 99 Cb -0.10 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.37 3fy6 h GLN 99 CO -0.07 0.62 -0.08 2.35 -1.93 0.00 0.00 178.83 179.72 3fy6 h TRP 100 N 0.97 -0.21 -0.92 3.99 7.01 -0.11 -0.87 115.95 125.81 3fy6 h TRP 100 Ca 0.31 0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.39 3fy6 h TRP 100 Cb 0.00 0.08 -0.06 0.00 -2.10 0.00 0.00 29.16 27.08 3fy6 h TRP 100 CO -0.03 -0.13 0.59 0.28 -2.79 0.00 0.00 178.44 176.36 3fy6 h VAL 101 N -0.18 1.01 -0.38 2.65 2.07 -0.59 -0.14 116.25 120.69 3fy6 h VAL 101 Ca 0.00 -0.33 -0.15 0.00 0.82 0.00 0.00 66.70 67.04 3fy6 h VAL 101 Cb 0.18 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 3fy6 h VAL 101 CO -0.02 0.18 -0.35 0.78 0.02 0.00 0.00 177.57 178.17 3fy6 h ASN 102 N 0.98 0.92 -0.61 0.57 -0.26 -0.65 -1.55 115.58 114.99 3fy6 h ASN 102 Ca 0.41 -0.40 -0.03 0.00 -0.56 0.00 0.00 56.30 55.73 3fy6 h ASN 102 Cb 0.32 -0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 37.29 3fy6 h ASN 102 CO -0.17 1.17 0.28 0.11 -1.06 0.00 0.00 177.43 177.76 3fy6 h LYS 103 N 0.72 0.88 -0.29 0.81 1.57 -0.46 -0.05 116.57 119.76 3fy6 h LYS 103 Ca 0.07 -0.14 0.05 0.00 -1.87 0.00 0.00 60.65 58.76 3fy6 h LYS 103 Cb 0.92 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 33.03 3fy6 h LYS 103 CO 0.09 0.72 -0.01 0.28 -0.57 0.00 0.00 179.45 179.96 3fy6 h VAL 104 N 0.83 0.78 -0.28 0.50 2.07 -0.83 -1.09 116.25 118.22 3fy6 h VAL 104 Ca 0.21 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 3fy6 h VAL 104 Cb 0.14 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3fy6 h VAL 104 CO -0.02 0.01 0.14 0.74 0.02 0.00 0.00 177.57 178.46 3fy6 h THR 105 N 0.07 1.14 -0.32 2.57 2.02 -1.11 -2.31 112.91 114.97 3fy6 h THR 105 Ca 0.14 -0.38 0.09 0.00 0.77 0.00 0.00 66.41 67.03 3fy6 h THR 105 Cb 0.19 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3fy6 h THR 105 CO -0.24 0.14 0.23 -0.08 0.37 0.00 0.00 175.52 175.94 3fy6 h GLU 106 N 0.33 0.02 -0.18 6.66 4.81 -0.58 -1.79 114.58 123.84 3fy6 h GLU 106 Ca 0.10 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3fy6 h GLU 106 Cb 0.09 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3fy6 h GLU 106 CO -0.01 0.01 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 3fy6 n ALA 107 N -2.60 2.50 -1.59 2.92 0.00 -0.45 -4.95 120.51 116.34 3fy6 n ALA 107 Ca 0.05 -0.65 -0.48 0.00 0.00 0.00 0.00 53.44 52.36 3fy6 n ALA 107 Cb 0.39 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.79 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 0.72 1.27 -1.67 0.00 5.02 -0.68 -4.85 118.16 117.97 3fy6 n LYS 108 Ca 0.17 0.45 -0.45 0.00 -2.02 0.00 0.00 58.31 56.46 3fy6 n LYS 108 Cb 0.44 -1.95 -0.03 0.00 -0.02 0.00 0.00 35.03 33.47 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 1.67 2.11 -1.65 1.97 -0.02 -1.26 -4.91 135.00 132.92 3fy6 n PRO 109 Ca 0.14 0.75 -0.02 0.00 -2.02 0.00 0.00 63.50 62.36 3fy6 n PRO 109 Cb 0.26 -2.45 0.08 0.00 -0.02 0.00 0.00 33.50 31.37 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 2.54 2.05 -4.74 2.55 6.94 -1.26 -4.53 115.26 118.81 3fy6 n ASN 110 Ca 0.13 -2.85 -0.31 0.00 -0.02 0.00 0.00 54.58 51.53 3fy6 n ASN 110 Cb 0.31 -0.41 0.11 0.00 -2.36 0.00 0.00 39.78 37.43 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 -3.04 4.05 0.27 0.53 1.04 -1.26 -4.69 113.70 110.60 3fy6 s SER 111 Ca 0.37 1.91 0.01 0.00 0.48 0.00 0.00 55.95 58.72 3fy6 s SER 111 Cb 0.37 -2.53 0.61 0.00 0.10 0.00 0.00 66.02 64.58 3fy6 s SER 111 CO -0.07 -2.34 1.72 0.44 0.98 0.00 0.00 173.24 173.97 3fy6 h ASP 112 N -1.34 0.38 0.28 7.02 3.32 -1.99 0.14 116.42 124.23 3fy6 h ASP 112 Ca -0.44 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 3fy6 h ASP 112 Cb 1.24 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 3fy6 h ASP 112 CO 0.49 0.09 -0.20 0.15 -1.72 0.00 0.00 179.24 178.05 3fy6 h PHE 113 N 0.48 -0.52 -0.19 4.55 3.57 -2.00 -2.44 116.94 120.39 3fy6 h PHE 113 Ca 0.50 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.87 3fy6 h PHE 113 Cb 0.84 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 3fy6 h PHE 113 CO -0.13 -0.30 -0.44 -1.49 -2.23 0.00 0.00 178.31 173.72 3fy6 h TRP 114 N -0.48 0.57 -0.55 0.41 -0.00 -1.58 -2.57 115.95 111.75 3fy6 h TRP 114 Ca -0.02 -0.17 0.06 0.00 -0.00 0.00 0.00 58.89 58.75 3fy6 h TRP 114 Cb 0.41 -0.12 -0.03 0.00 -0.00 0.00 0.00 29.16 29.42 3fy6 h TRP 114 CO -0.11 0.83 0.37 0.00 -0.00 0.00 0.00 178.44 179.53 3fy6 h ARG 115 N 0.39 0.51 0.00 0.49 3.08 -0.68 0.16 114.38 118.33 3fy6 h ARG 115 Ca 0.03 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3fy6 h ARG 115 Cb 0.92 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 3fy6 h ARG 115 CO 0.08 0.34 -0.17 0.87 -1.07 0.00 0.00 179.97 180.02 3fy6 h LYS 116 N 0.52 0.00 0.05 0.04 1.57 -1.01 -3.31 116.57 114.44 3fy6 h LYS 116 Ca 0.24 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.66 3fy6 h LYS 116 Cb 0.27 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 3fy6 h LYS 116 CO -0.07 0.17 -2.05 0.98 -0.57 0.00 0.00 179.45 177.91 3fy6 n TYR 117 N -3.80 0.73 -1.35 -1.35 9.36 0.40 -5.14 117.16 116.01 3fy6 n TYR 117 Ca -0.02 0.20 0.00 0.00 3.32 0.00 0.00 57.90 61.40 3fy6 n TYR 117 Cb 0.27 -1.09 0.00 0.00 -0.63 0.00 0.00 39.34 37.89 3fy6 n TYR 117 CO 0.00 0.00 0.00 1.97 0.22 0.00 0.00 176.86 179.05