#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fy1 s VAL 2 N 0.00 0.04 0.32 2.03 0.11 -1.26 -5.08 120.40 116.55 2fy1 s VAL 2 Ca 0.00 -0.32 0.30 0.00 -2.93 0.00 0.00 61.98 59.03 2fy1 s VAL 2 Cb 0.00 -0.35 0.32 0.00 -1.53 0.00 0.00 36.38 34.82 2fy1 s VAL 2 CO 0.00 -0.18 2.04 -0.33 -3.33 0.00 0.00 175.10 173.30 2fy1 h GLU 3 N 5.09 0.00 0.00 1.54 4.39 -1.99 -3.45 114.58 120.16 2fy1 h GLU 3 Ca -0.28 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.33 2fy1 h GLU 3 Cb 1.19 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 2fy1 h GLU 3 CO 0.40 0.10 -0.00 0.00 -1.16 0.00 0.00 179.01 178.35 2fy1 n ALA 4 N -2.20 -0.39 -0.31 3.43 0.00 -1.26 -5.04 120.51 114.74 2fy1 n ALA 4 Ca -0.01 -0.69 0.18 0.00 0.00 0.00 0.00 53.44 52.92 2fy1 n ALA 4 Cb 0.27 0.56 0.44 0.00 0.00 0.00 0.00 19.45 20.73 2fy1 n ALA 4 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2fy1 h ASP 5 N 0.91 0.55 -0.02 0.00 3.58 -1.95 -3.38 116.42 116.12 2fy1 h ASP 5 Ca -0.14 0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 2fy1 h ASP 5 Cb 0.56 -0.02 -0.14 0.00 1.72 0.00 0.00 39.33 41.45 2fy1 h ASP 5 CO 0.18 0.17 -0.01 1.57 -2.88 0.00 0.00 179.24 178.27 2fy1 n HIS 6 N -4.65 -0.18 -1.77 0.28 -0.00 -1.26 -5.07 115.22 102.57 2fy1 n HIS 6 Ca 0.23 -0.56 -0.32 0.00 -0.00 0.00 0.00 57.72 57.07 2fy1 n HIS 6 Cb 0.72 1.03 0.04 0.00 -0.00 0.00 0.00 29.99 31.78 2fy1 n HIS 6 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2fy1 s PRO 7 N 0.38 2.91 0.00 1.57 0.04 -1.26 -3.89 135.00 134.76 2fy1 s PRO 7 Ca 0.24 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.54 2fy1 s PRO 7 Cb 0.18 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.75 2fy1 s PRO 7 CO -0.08 -1.14 0.00 0.41 0.04 0.00 0.00 177.00 176.23 2fy1 n GLY 8 N -0.90 3.84 3.22 0.56 0.00 -1.26 -4.75 105.19 105.90 2fy1 n GLY 8 Ca 0.09 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 2fy1 n GLY 8 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2fy1 s LYS 9 N 0.00 2.28 0.01 1.61 2.20 -1.26 -1.07 119.74 123.51 2fy1 s LYS 9 Ca 0.00 -0.80 0.04 0.00 -0.36 0.00 0.00 55.97 54.84 2fy1 s LYS 9 Cb 0.00 -1.95 -0.01 0.00 -1.51 0.00 0.00 37.83 34.36 2fy1 s LYS 9 CO 0.00 0.34 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.69 2fy1 s LEU 10 N -0.10 2.08 -0.25 5.43 1.02 0.29 -0.89 118.68 126.26 2fy1 s LEU 10 Ca -0.04 -0.30 -0.08 0.00 0.02 0.00 0.00 54.13 53.73 2fy1 s LEU 10 Cb -0.13 -0.58 -0.03 0.00 0.02 0.00 0.00 46.19 45.47 2fy1 s LEU 10 CO 0.03 0.09 0.10 0.12 0.02 0.00 0.00 176.35 176.71 2fy1 s PHE 11 N -0.51 3.13 -0.12 0.29 5.36 0.26 -0.75 117.98 125.65 2fy1 s PHE 11 Ca 0.03 -0.25 -0.03 0.00 -0.96 0.00 0.00 56.93 55.73 2fy1 s PHE 11 Cb -0.06 -2.26 -0.03 0.00 -0.34 0.00 0.00 43.02 40.33 2fy1 s PHE 11 CO 0.00 -0.27 -0.02 0.42 -1.46 0.00 0.00 175.22 173.89 2fy1 s ILE 12 N 1.55 4.08 -0.15 3.12 1.09 0.62 -1.43 121.20 130.08 2fy1 s ILE 12 Ca 0.06 -0.31 -0.01 0.00 -1.10 0.00 0.00 60.65 59.29 2fy1 s ILE 12 Cb -0.15 -2.75 -0.01 0.00 -1.06 0.00 0.00 42.46 38.49 2fy1 s ILE 12 CO 0.05 0.55 -0.12 -0.83 -0.10 0.00 0.00 174.94 174.49 2fy1 s GLY 13 N -0.27 1.53 0.00 6.18 0.00 0.09 -1.50 107.32 113.35 2fy1 s GLY 13 Ca 0.05 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.78 2fy1 s GLY 13 CO 0.02 -0.00 0.00 0.61 0.00 0.00 0.00 173.10 173.73 2fy1 n GLY 14 N 3.93 -1.16 1.08 0.20 0.00 -1.26 -1.75 105.19 106.23 2fy1 n GLY 14 Ca -0.18 0.40 0.08 0.00 0.00 0.00 0.00 46.02 46.32 2fy1 n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fy1 n LEU 15 N 0.00 -0.92 0.00 0.99 7.99 -1.26 -4.83 117.00 118.97 2fy1 n LEU 15 Ca 0.00 1.87 0.00 0.00 -0.01 0.00 0.00 56.01 57.87 2fy1 n LEU 15 Cb 0.00 -2.13 0.00 0.00 -0.11 0.00 0.00 43.42 41.18 2fy1 n LEU 15 CO 0.00 -1.21 0.00 -3.20 -1.51 0.00 0.00 177.39 171.47 2fy1 n ASN 16 N -3.21 0.00 0.00 -1.43 5.15 0.49 -3.62 115.26 112.64 2fy1 n ASN 16 Ca -0.05 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.93 2fy1 n ASN 16 Cb 0.45 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.70 2fy1 n ASN 16 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2fy1 n ARG 17 N 0.00 0.00 0.00 1.20 1.74 -1.26 -3.39 116.66 114.95 2fy1 n ARG 17 Ca 0.00 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 2fy1 n ARG 17 Cb 0.00 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 2fy1 n ARG 17 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2fy1 n GLU 18 N -1.40 0.00 -4.01 5.56 2.13 -1.24 -5.18 120.64 116.50 2fy1 n GLU 18 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 2fy1 n GLU 18 Cb 0.03 -0.28 -0.06 0.00 0.27 0.00 0.00 31.44 31.40 2fy1 n GLU 18 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 2fy1 s THR 19 N -1.55 0.01 0.00 6.31 -1.32 -1.22 -5.12 115.64 112.76 2fy1 s THR 19 Ca 0.00 -1.45 0.00 0.00 -1.21 0.00 0.00 61.69 59.03 2fy1 s THR 19 Cb 0.00 -2.17 0.00 0.00 -1.51 0.00 0.00 72.50 68.82 2fy1 s THR 19 CO 0.00 -0.04 0.00 0.59 -2.21 0.00 0.00 174.62 172.96 2fy1 n ASN 20 N -0.35 2.83 -0.12 8.08 4.13 -1.26 -0.38 115.26 128.18 2fy1 n ASN 20 Ca -0.02 0.00 0.25 0.00 1.68 0.00 0.00 54.58 56.48 2fy1 n ASN 20 Cb 0.62 0.00 0.44 0.00 -1.54 0.00 0.00 39.78 39.31 2fy1 n ASN 20 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 2fy1 h GLU 21 N 0.00 0.00 0.52 3.52 4.81 -1.98 0.64 114.58 122.09 2fy1 h GLU 21 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2fy1 h GLU 21 Cb 0.00 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.39 2fy1 h GLU 21 CO 0.00 0.00 -0.25 -0.22 -0.73 0.00 0.00 179.01 177.81 2fy1 h LYS 22 N 0.00 -0.67 -0.69 1.92 1.63 -2.00 -1.56 116.57 115.20 2fy1 h LYS 22 Ca 0.41 0.05 0.08 0.00 -0.85 0.00 0.00 60.65 60.33 2fy1 h LYS 22 Cb 2.59 0.15 -0.07 0.00 -0.60 0.00 0.00 32.23 34.31 2fy1 h LYS 22 CO -0.00 -0.38 0.36 0.00 -3.45 0.00 0.00 179.45 175.97 2fy1 h MET 23 N -1.09 0.60 0.08 1.90 -0.00 -1.31 -1.46 114.93 113.67 2fy1 h MET 23 Ca -0.07 -0.04 -0.00 0.00 -0.00 0.00 0.00 59.70 59.59 2fy1 h MET 23 Cb 0.60 -0.14 -0.00 0.00 -0.00 0.00 0.00 31.60 32.06 2fy1 h MET 23 CO 0.12 0.40 -0.07 -0.07 -0.00 0.00 0.00 176.91 177.28 2fy1 h LEU 24 N 0.62 -0.20 -1.51 -0.10 4.07 -0.94 0.24 115.31 117.50 2fy1 h LEU 24 Ca 0.33 0.02 0.13 0.00 0.08 0.00 0.00 57.88 58.43 2fy1 h LEU 24 Cb 0.31 0.06 -0.05 0.00 1.08 0.00 0.00 40.66 42.06 2fy1 h LEU 24 CO -0.24 -0.10 0.49 0.11 -1.08 0.00 0.00 178.44 177.62 2fy1 h LYS 25 N -0.15 0.49 0.00 1.13 1.57 -1.32 -1.32 116.57 116.97 2fy1 h LYS 25 Ca -0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2fy1 h LYS 25 Cb 0.13 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2fy1 h LYS 25 CO -0.00 0.33 0.00 0.00 -0.57 0.00 0.00 179.45 179.20 2fy1 n ALA 26 N -2.50 -0.24 0.11 3.86 0.00 -0.55 -0.60 120.51 120.60 2fy1 n ALA 26 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.42 2fy1 n ALA 26 Cb 0.45 0.10 -0.09 0.00 0.00 0.00 0.00 19.45 19.91 2fy1 n ALA 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2fy1 h VAL 27 N 0.00 0.06 0.28 0.00 2.07 0.03 0.05 116.25 118.73 2fy1 h VAL 27 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2fy1 h VAL 27 Cb 0.00 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 2fy1 h VAL 27 CO 0.00 0.00 -0.13 -0.26 0.02 0.00 0.00 177.57 177.20 2fy1 h PHE 28 N -0.72 -0.34 0.00 1.57 -1.00 -1.43 -3.10 116.94 111.92 2fy1 h PHE 28 Ca 0.01 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2fy1 h PHE 28 Cb 0.74 0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.41 2fy1 h PHE 28 CO -0.42 -0.11 0.15 0.41 -1.61 0.00 0.00 178.31 176.73 2fy1 n GLY 29 N -0.81 -0.72 0.37 -1.45 0.00 0.23 -2.53 105.19 100.28 2fy1 n GLY 29 Ca -0.10 0.15 0.24 0.00 0.00 0.00 0.00 46.02 46.31 2fy1 n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fy1 h LYS 30 N 0.00 0.36 0.00 1.61 1.57 -0.91 -3.14 116.57 116.06 2fy1 h LYS 30 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2fy1 h LYS 30 Cb 0.31 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2fy1 h LYS 30 CO 0.00 0.24 -0.21 0.72 -0.57 0.00 0.00 179.45 179.63 2fy1 n HIS 31 N -4.86 0.00 -3.86 -1.35 8.25 -1.05 -5.04 115.22 107.31 2fy1 n HIS 31 Ca 0.30 -0.32 -0.10 0.00 -0.26 0.00 0.00 57.72 57.33 2fy1 n HIS 31 Cb 0.96 -0.07 0.02 0.00 1.12 0.00 0.00 29.99 32.02 2fy1 n HIS 31 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2fy1 s GLY 32 N -1.30 0.65 -0.03 -1.41 0.00 -1.19 -4.17 107.32 99.88 2fy1 s GLY 32 Ca 0.08 -0.95 -0.06 0.00 0.00 0.00 0.00 44.72 43.79 2fy1 s GLY 32 CO 0.01 -0.47 0.36 -0.56 0.00 0.00 0.00 173.10 172.44 2fy1 h PRO 33 N 2.01 -0.21 -1.24 2.90 0.13 -1.90 -3.39 132.00 130.32 2fy1 h PRO 33 Ca -0.33 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2fy1 h PRO 33 Cb 1.25 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2fy1 h PRO 33 CO 0.42 -0.14 0.00 -0.89 -0.23 0.00 0.00 178.00 177.16 2fy1 n ILE 34 N -3.71 -1.24 0.25 -3.56 -0.00 -1.26 -4.91 119.36 104.93 2fy1 n ILE 34 Ca -0.03 0.00 0.06 0.00 -0.00 0.00 0.00 62.75 62.79 2fy1 n ILE 34 Cb 0.08 -1.60 -0.09 0.00 -0.00 0.00 0.00 39.64 38.04 2fy1 n ILE 34 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 2fy1 n SER 35 N 0.00 1.42 -3.81 4.38 2.88 0.11 -4.83 113.62 113.76 2fy1 n SER 35 Ca 0.00 -0.33 -0.12 0.00 -1.33 0.00 0.00 58.87 57.08 2fy1 n SER 35 Cb 0.00 1.35 -0.09 0.00 -0.75 0.00 0.00 64.21 64.71 2fy1 n SER 35 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2fy1 s GLU 36 N -2.61 0.55 -0.07 -1.46 2.02 -0.41 -4.19 118.70 112.53 2fy1 s GLU 36 Ca -0.01 -0.23 -0.01 0.00 0.02 0.00 0.00 54.97 54.74 2fy1 s GLU 36 Cb 0.09 0.24 0.03 0.00 0.10 0.00 0.00 34.13 34.59 2fy1 s GLU 36 CO 0.53 -0.14 -0.00 0.08 0.02 0.00 0.00 175.26 175.75 2fy1 s VAL 37 N -1.21 0.41 -0.02 2.63 1.01 -1.26 -1.42 120.40 120.54 2fy1 s VAL 37 Ca -0.13 0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2fy1 s VAL 37 Cb -0.06 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.78 2fy1 s VAL 37 CO 0.03 0.26 -0.05 -0.22 0.00 0.00 0.00 175.10 175.12 2fy1 s LEU 38 N 1.89 1.71 -0.06 3.92 2.96 -0.17 -5.03 118.68 123.90 2fy1 s LEU 38 Ca 0.04 -0.11 0.06 0.00 -0.22 0.00 0.00 54.13 53.90 2fy1 s LEU 38 Cb -0.12 -0.36 -0.01 0.00 0.50 0.00 0.00 46.19 46.20 2fy1 s LEU 38 CO -0.05 0.02 -0.25 -0.76 -1.32 0.00 0.00 176.35 173.99 2fy1 s LEU 39 N 0.30 2.09 -0.15 -0.68 2.01 -1.26 -1.07 118.68 119.93 2fy1 s LEU 39 Ca -0.04 -0.51 -0.04 0.00 0.01 0.00 0.00 54.13 53.55 2fy1 s LEU 39 Cb -0.08 -1.38 -0.03 0.00 0.01 0.00 0.00 46.19 44.71 2fy1 s LEU 39 CO -0.00 0.24 0.00 -0.63 1.01 0.00 0.00 176.35 176.97 2fy1 s ILE 40 N -0.15 4.28 0.00 -0.59 -1.09 0.14 -4.88 121.20 118.90 2fy1 s ILE 40 Ca -0.04 -0.23 0.00 0.00 -2.23 0.00 0.00 60.65 58.15 2fy1 s ILE 40 Cb -0.14 -2.88 0.00 0.00 -1.58 0.00 0.00 42.46 37.87 2fy1 s ILE 40 CO 0.04 0.51 0.00 0.29 -1.23 0.00 0.00 174.94 174.55 2fy1 n LYS 41 N 3.22 1.03 -3.64 2.79 5.02 -1.25 -1.50 118.16 123.83 2fy1 n LYS 41 Ca -0.17 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.03 2fy1 n LYS 41 Cb 0.53 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.47 2fy1 n LYS 41 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2fy1 s ASP 42 N 1.00 -0.51 0.00 4.39 -4.77 -1.26 -4.82 116.67 110.70 2fy1 s ASP 42 Ca 0.00 0.95 0.00 0.00 -3.30 0.00 0.00 52.55 50.20 2fy1 s ASP 42 Cb 0.00 1.00 0.00 0.00 -1.09 0.00 0.00 42.92 42.83 2fy1 s ASP 42 CO 0.00 -0.16 0.00 -1.14 0.70 0.00 0.00 175.17 174.57 2fy1 n ARG 43 N 2.53 0.00 -0.47 2.11 0.63 -1.26 0.17 116.66 120.37 2fy1 n ARG 43 Ca -0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 2fy1 n ARG 43 Cb 0.56 -3.25 0.00 0.00 0.45 0.00 0.00 32.46 30.22 2fy1 n ARG 43 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2fy1 n THR 44 N -1.49 0.00 0.00 5.15 5.66 -1.26 -4.82 114.28 117.51 2fy1 n THR 44 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2fy1 n THR 44 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2fy1 n THR 44 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2fy1 n SER 45 N 0.00 0.00 -0.20 1.09 2.88 0.13 -4.97 113.62 112.55 2fy1 n SER 45 Ca 0.00 0.00 0.28 0.00 -1.33 0.00 0.00 58.87 57.82 2fy1 n SER 45 Cb 0.00 0.00 0.70 0.00 -0.75 0.00 0.00 64.21 64.16 2fy1 n SER 45 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2fy1 h LYS 46 N 0.00 0.05 -1.42 -1.46 -0.00 -0.65 -3.48 116.57 109.62 2fy1 h LYS 46 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 2fy1 h LYS 46 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 32.23 32.22 2fy1 h LYS 46 CO 0.00 0.03 0.00 0.45 -0.00 0.00 0.00 179.45 179.93 2fy1 n SER 47 N -4.30 -0.94 -4.06 7.07 2.88 -1.25 -5.01 113.62 108.01 2fy1 n SER 47 Ca 0.19 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.63 2fy1 n SER 47 Cb 0.94 -0.47 -0.08 0.00 -0.75 0.00 0.00 64.21 63.85 2fy1 n SER 47 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2fy1 s ARG 48 N -0.02 1.13 -0.06 -1.46 3.00 -1.26 -5.02 118.95 115.27 2fy1 s ARG 48 Ca 0.00 -1.33 -0.01 0.00 -1.00 0.00 0.00 55.73 53.40 2fy1 s ARG 48 Cb 0.00 0.33 0.03 0.00 0.00 0.00 0.00 34.95 35.31 2fy1 s ARG 48 CO 0.00 -0.39 -0.01 0.20 0.00 0.00 0.00 175.30 175.10 2fy1 s GLY 49 N -3.03 0.43 -0.04 8.12 0.00 -1.19 -3.82 107.32 107.79 2fy1 s GLY 49 Ca 0.23 -0.06 -0.05 0.00 0.00 0.00 0.00 44.72 44.84 2fy1 s GLY 49 CO 0.03 0.90 0.13 -0.11 0.00 0.00 0.00 173.10 174.05 2fy1 s PHE 50 N 1.58 -0.11 -0.13 1.90 -0.71 -0.56 -4.59 117.98 115.37 2fy1 s PHE 50 Ca -0.01 0.26 -0.05 0.00 -1.04 0.00 0.00 56.93 56.09 2fy1 s PHE 50 Cb -0.13 0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.67 2fy1 s PHE 50 CO -0.03 -0.10 0.05 0.00 -1.34 0.00 0.00 175.22 173.79 2fy1 s ALA 51 N -0.17 3.42 -0.07 1.99 0.00 -0.57 0.25 121.76 126.62 2fy1 s ALA 51 Ca -0.02 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.23 2fy1 s ALA 51 Cb -0.02 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.35 2fy1 s ALA 51 CO 0.00 0.42 -0.22 -0.06 0.00 0.00 0.00 175.76 175.91 2fy1 s PHE 52 N -0.38 2.53 -0.02 0.00 0.08 -0.23 -0.27 117.98 119.68 2fy1 s PHE 52 Ca 0.09 -0.65 0.02 0.00 0.12 0.00 0.00 56.93 56.50 2fy1 s PHE 52 Cb -0.12 -1.64 0.01 0.00 -0.57 0.00 0.00 43.02 40.70 2fy1 s PHE 52 CO 0.02 -0.17 -0.06 0.42 -0.10 0.00 0.00 175.22 175.33 2fy1 s ILE 53 N -0.15 0.52 -0.13 0.64 1.01 0.07 -1.00 121.20 122.15 2fy1 s ILE 53 Ca -0.03 -0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.36 2fy1 s ILE 53 Cb -0.14 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 2fy1 s ILE 53 CO 0.04 0.18 0.04 -0.89 0.00 0.00 0.00 174.94 174.31 2fy1 s THR 54 N 0.29 4.65 -0.13 2.92 2.01 -0.51 -0.54 115.64 124.34 2fy1 s THR 54 Ca -0.04 -0.10 -0.05 0.00 0.31 0.00 0.00 61.69 61.82 2fy1 s THR 54 Cb -0.08 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 2fy1 s THR 54 CO -0.00 0.54 0.04 -0.36 -0.69 0.00 0.00 174.62 174.16 2fy1 s PHE 55 N -0.33 3.26 0.55 4.92 0.40 -0.24 0.05 117.98 126.59 2fy1 s PHE 55 Ca 0.08 0.17 0.41 0.00 -0.60 0.00 0.00 56.93 57.00 2fy1 s PHE 55 Cb -0.12 -1.92 1.62 0.00 0.51 0.00 0.00 43.02 43.10 2fy1 s PHE 55 CO 0.02 0.37 1.72 0.93 0.70 0.00 0.00 175.22 178.96 2fy1 h GLU 56 N 5.76 0.00 -4.72 0.44 5.08 -1.88 -3.40 114.58 115.86 2fy1 h GLU 56 Ca -0.45 -0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.58 2fy1 h GLU 56 Cb 1.19 -0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.21 2fy1 h GLU 56 CO 0.61 0.00 -0.75 -0.80 -1.00 0.00 0.00 179.01 177.07 2fy1 s ASN 57 N -4.71 1.03 0.33 1.42 0.01 -1.26 -5.05 114.94 106.71 2fy1 s ASN 57 Ca -0.05 -0.46 0.07 0.00 -0.71 0.00 0.00 52.86 51.71 2fy1 s ASN 57 Cb 0.24 -0.02 0.59 0.00 0.41 0.00 0.00 41.25 42.48 2fy1 s ASN 57 CO 0.84 -0.10 1.81 1.55 -1.51 0.00 0.00 177.10 179.69 2fy1 h PRO 58 N 4.83 0.32 -0.44 -0.60 0.13 -1.85 -2.76 132.00 131.63 2fy1 h PRO 58 Ca -0.35 -0.10 0.05 0.00 -0.87 0.00 0.00 66.00 64.72 2fy1 h PRO 58 Cb 1.20 -0.03 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 2fy1 h PRO 58 CO 0.43 0.53 -0.46 0.00 -0.23 0.00 0.00 178.00 178.27 2fy1 h ALA 59 N 1.49 -0.64 -0.59 -0.56 0.00 -1.96 -0.82 119.26 116.17 2fy1 h ALA 59 Ca 0.05 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2fy1 h ALA 59 Cb 0.55 1.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 2fy1 h ALA 59 CO 0.04 -0.89 0.39 -0.44 0.00 0.00 0.00 179.25 178.35 2fy1 h ASP 60 N -0.25 0.66 0.03 0.00 3.32 -1.81 0.17 116.42 118.54 2fy1 h ASP 60 Ca 0.07 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.13 2fy1 h ASP 60 Cb 0.45 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 2fy1 h ASP 60 CO -0.55 0.47 -0.21 0.00 -1.72 0.00 0.00 179.24 177.23 2fy1 h ALA 61 N 1.64 -0.29 -0.66 3.45 0.00 -1.16 -0.72 119.26 121.51 2fy1 h ALA 61 Ca 0.22 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.20 2fy1 h ALA 61 Cb -0.04 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 2fy1 h ALA 61 CO -0.05 -0.72 0.33 -0.22 0.00 0.00 0.00 179.25 178.59 2fy1 h LYS 62 N -0.35 0.57 0.46 0.00 3.64 -0.42 0.10 116.57 120.58 2fy1 h LYS 62 Ca 0.05 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2fy1 h LYS 62 Cb 0.41 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2fy1 h LYS 62 CO -0.17 0.38 -0.46 -0.97 -2.27 0.00 0.00 179.45 175.96 2fy1 h ASN 63 N 0.59 -1.26 -0.98 4.20 -1.24 -0.81 0.14 115.58 116.22 2fy1 h ASN 63 Ca 0.32 0.10 0.10 0.00 0.71 0.00 0.00 56.30 57.53 2fy1 h ASN 63 Cb 0.29 0.42 -0.08 0.00 0.73 0.00 0.00 38.32 39.68 2fy1 h ASN 63 CO -0.23 -0.62 0.63 0.00 -1.29 0.00 0.00 177.43 175.91 2fy1 h ALA 64 N -0.69 1.53 0.39 1.57 0.00 -0.81 0.88 119.26 122.13 2fy1 h ALA 64 Ca -0.05 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2fy1 h ALA 64 Cb 0.82 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2fy1 h ALA 64 CO -0.06 0.26 -0.37 0.00 0.00 0.00 0.00 179.25 179.08 2fy1 h ALA 65 N 1.52 -1.06 -0.96 0.00 0.00 -0.77 -1.45 119.26 116.54 2fy1 h ALA 65 Ca 0.47 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.33 2fy1 h ALA 65 Cb 0.41 0.59 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 2fy1 h ALA 65 CO -0.23 -1.08 0.60 -0.22 0.00 0.00 0.00 179.25 178.32 2fy1 h LYS 66 N -0.75 0.97 0.41 0.00 3.64 -0.20 -1.08 116.57 119.56 2fy1 h LYS 66 Ca -0.05 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 2fy1 h LYS 66 Cb 0.64 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2fy1 h LYS 66 CO -0.03 0.64 -0.40 0.22 -2.27 0.00 0.00 179.45 177.60 2fy1 h ASP 67 N 1.00 -1.10 0.00 4.20 3.58 -0.89 -3.43 116.42 119.78 2fy1 h ASP 67 Ca 0.45 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.99 2fy1 h ASP 67 Cb 0.36 0.36 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2fy1 h ASP 67 CO -0.23 -0.54 0.00 0.23 -2.88 0.00 0.00 179.24 175.82 2fy1 n MET 68 N -4.86 0.00 -0.30 0.28 2.81 -0.48 -4.86 117.12 109.72 2fy1 n MET 68 Ca -0.10 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 2fy1 n MET 68 Cb 0.37 -0.48 0.00 0.00 -0.71 0.00 0.00 33.22 32.40 2fy1 n MET 68 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2fy1 n ASN 69 N -0.25 0.00 0.00 7.83 0.23 -0.77 -2.42 115.26 119.88 2fy1 n ASN 69 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2fy1 n ASN 69 Cb 0.00 -1.54 0.00 0.00 -2.08 0.00 0.00 39.78 36.16 2fy1 n ASN 69 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2fy1 n GLY 70 N -0.89 0.00 3.80 4.83 0.00 -1.17 -4.53 105.19 107.24 2fy1 n GLY 70 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2fy1 n GLY 70 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2fy1 s LYS 71 N 0.00 0.17 -0.15 1.61 2.47 -1.01 -4.84 119.74 117.99 2fy1 s LYS 71 Ca 0.00 -0.17 -0.07 0.00 -1.56 0.00 0.00 55.97 54.17 2fy1 s LYS 71 Cb 0.00 -1.77 0.06 0.00 -1.46 0.00 0.00 37.83 34.66 2fy1 s LYS 71 CO 0.00 -2.76 0.34 0.45 0.16 0.00 0.00 175.35 173.54 2fy1 s SER 72 N -4.43 -0.28 0.00 1.43 0.15 -1.26 -1.07 113.70 108.24 2fy1 s SER 72 Ca 0.71 0.76 0.00 0.00 0.70 0.00 0.00 55.95 58.12 2fy1 s SER 72 Cb -0.08 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 2fy1 s SER 72 CO 0.54 -0.20 0.00 0.00 1.20 0.00 0.00 173.24 174.78 2fy1 n LEU 73 N 4.56 0.00 0.00 3.45 -0.00 -1.17 -4.96 117.00 118.88 2fy1 n LEU 73 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.82 2fy1 n LEU 73 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 2fy1 n LEU 73 CO 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.47 2fy1 n HIS 74 N 0.00 0.00 1.04 1.47 1.44 -1.26 -4.95 115.22 112.96 2fy1 n HIS 74 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2fy1 n HIS 74 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2fy1 n HIS 74 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2fy1 n GLY 75 N 5.00 0.17 3.35 -1.39 0.00 -1.26 -4.79 105.19 106.28 2fy1 n GLY 75 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2fy1 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fy1 s LYS 76 N -1.50 1.12 0.80 1.61 -0.14 -1.26 -5.15 119.74 115.21 2fy1 s LYS 76 Ca 0.00 -0.57 -0.12 0.00 -1.36 0.00 0.00 55.97 53.92 2fy1 s LYS 76 Cb 0.00 0.50 0.08 0.00 -1.68 0.00 0.00 37.83 36.73 2fy1 s LYS 76 CO 0.00 -0.45 1.15 0.00 -0.76 0.00 0.00 175.35 175.29 2fy1 s ALA 77 N -3.56 1.94 -0.14 5.17 0.00 -1.26 -3.05 121.76 120.86 2fy1 s ALA 77 Ca 0.01 0.61 -0.07 0.00 0.00 0.00 0.00 51.96 52.52 2fy1 s ALA 77 Cb 0.01 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 2fy1 s ALA 77 CO -0.11 -2.12 0.09 0.96 0.00 0.00 0.00 175.76 174.58 2fy1 s ILE 78 N -2.46 5.07 -0.16 0.00 -4.36 -0.23 -4.65 121.20 114.41 2fy1 s ILE 78 Ca 0.68 0.05 -0.06 0.00 -0.26 0.00 0.00 60.65 61.06 2fy1 s ILE 78 Cb -0.23 -3.23 -0.04 0.00 1.25 0.00 0.00 42.46 40.21 2fy1 s ILE 78 CO 0.52 0.55 0.05 -0.75 0.24 0.00 0.00 174.94 175.54 2fy1 s LYS 79 N -0.41 3.73 -0.16 0.37 2.36 -0.71 -3.03 119.74 121.89 2fy1 s LYS 79 Ca 0.10 -0.36 0.01 0.00 -2.55 0.00 0.00 55.97 53.18 2fy1 s LYS 79 Cb -0.12 -3.10 0.01 0.00 -1.05 0.00 0.00 37.83 33.57 2fy1 s LYS 79 CO 0.02 0.38 -0.20 0.08 1.55 0.00 0.00 175.35 177.18 2fy1 s VAL 80 N 0.04 2.15 0.08 4.02 1.01 -1.26 -0.73 120.40 125.71 2fy1 s VAL 80 Ca 0.05 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.12 2fy1 s VAL 80 Cb -0.12 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 2fy1 s VAL 80 CO 0.01 0.54 -0.08 -0.70 0.00 0.00 0.00 175.10 174.87 2fy1 s GLU 81 N 1.05 0.73 -0.18 2.72 2.56 -0.52 -4.75 118.70 120.31 2fy1 s GLU 81 Ca -0.01 -1.10 -0.07 0.00 0.00 0.00 0.00 54.97 53.79 2fy1 s GLU 81 Cb -0.14 -0.29 -0.04 0.00 2.00 0.00 0.00 34.13 35.66 2fy1 s GLU 81 CO -0.07 0.02 0.06 -0.65 -0.56 0.00 0.00 175.26 174.06 2fy1 s GLN 82 N -2.86 3.95 0.35 4.30 1.11 -1.26 -0.57 119.66 124.67 2fy1 s GLN 82 Ca 0.03 -0.36 -0.28 0.00 0.01 0.00 0.00 55.36 54.77 2fy1 s GLN 82 Cb -0.01 -3.20 -0.09 0.00 -1.01 0.00 0.00 33.01 28.69 2fy1 s GLN 82 CO -0.02 0.25 1.23 0.00 0.01 0.00 0.00 175.29 176.76 2fy1 s ALA 83 N 0.42 3.35 0.10 6.09 0.00 -0.07 -4.76 121.76 126.89 2fy1 s ALA 83 Ca 0.03 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.12 2fy1 s ALA 83 Cb -0.13 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 2fy1 s ALA 83 CO 0.01 -0.55 -0.08 0.15 0.00 0.00 0.00 175.76 175.29 2fy1 s LYS 84 N -1.93 0.83 0.29 0.00 -0.14 -1.26 -4.74 119.74 112.79 2fy1 s LYS 84 Ca 0.51 -1.24 -0.29 0.00 -1.36 0.00 0.00 55.97 53.60 2fy1 s LYS 84 Cb -0.36 -0.34 -0.14 0.00 -1.68 0.00 0.00 37.83 35.32 2fy1 s LYS 84 CO 0.46 0.02 1.12 1.63 -0.76 0.00 0.00 175.35 177.82 2fy1 n LYS 85 N 0.25 1.57 0.08 1.68 5.02 -1.26 -4.93 118.16 120.57 2fy1 n LYS 85 Ca -0.14 0.55 -0.13 0.00 -2.02 0.00 0.00 58.31 56.58 2fy1 n LYS 85 Cb 0.59 -2.00 -0.08 0.00 -0.02 0.00 0.00 35.03 33.52 2fy1 n LYS 85 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2fy1 h PRO 86 N 2.39 -0.23 0.00 1.97 0.13 -2.00 -3.45 132.00 130.82 2fy1 h PRO 86 Ca -0.42 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2fy1 h PRO 86 Cb 1.32 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2fy1 h PRO 86 CO 0.63 0.15 0.00 0.43 -0.23 0.00 0.00 178.00 178.98 2fy1 n SER 87 N -5.00 0.00 -3.73 1.44 7.64 -1.26 -5.12 113.62 107.58 2fy1 n SER 87 Ca -0.09 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.66 2fy1 n SER 87 Cb 0.25 0.09 -0.08 0.00 -1.01 0.00 0.00 64.21 63.46 2fy1 n SER 87 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2fy1 s PHE 88 N -1.42 -0.19 -0.03 1.43 5.36 -1.26 -5.19 117.98 116.67 2fy1 s PHE 88 Ca 0.00 0.23 -0.30 0.00 -0.96 0.00 0.00 56.93 55.89 2fy1 s PHE 88 Cb 0.00 0.13 0.07 0.00 -0.34 0.00 0.00 43.02 42.88 2fy1 s PHE 88 CO 0.00 -0.45 0.69 -1.14 -1.46 0.00 0.00 175.22 172.85 2fy1 s GLN 89 N -1.78 1.06 0.00 10.12 0.74 -1.26 -5.08 119.66 123.46 2fy1 s GLN 89 Ca -0.10 0.18 0.00 0.00 0.05 0.00 0.00 55.36 55.49 2fy1 s GLN 89 Cb -0.03 0.50 0.00 0.00 1.10 0.00 0.00 33.01 34.58 2fy1 s GLN 89 CO 0.02 -0.35 0.27 -1.13 -0.55 0.00 0.00 175.29 173.55 2fy1 n SER 90 N 0.77 0.19 -2.20 6.67 3.41 -1.26 -5.12 113.62 116.07 2fy1 n SER 90 Ca -0.18 -1.05 0.01 0.00 -0.26 0.00 0.00 58.87 57.38 2fy1 n SER 90 Cb 0.58 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.53 2fy1 n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2fy1 n GLY 91 N -0.03 0.51 3.87 5.00 0.00 -1.26 -5.20 105.19 108.08 2fy1 n GLY 91 Ca 0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 46.02 45.06 2fy1 n GLY 91 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fy1 s GLY 92 N -3.12 0.06 0.03 -0.02 0.00 -1.26 -5.20 107.32 97.80 2fy1 s GLY 92 Ca 0.13 -0.26 -0.13 0.00 0.00 0.00 0.00 44.72 44.46 2fy1 s GLY 92 CO 0.00 2.26 0.28 -1.60 0.00 0.00 0.00 173.10 174.04 2fy1 s ARG 93 N -2.27 0.74 0.18 2.90 3.52 -1.26 -5.19 118.95 117.57 2fy1 s ARG 93 Ca 0.21 -0.44 -0.20 0.00 -0.13 0.00 0.00 55.73 55.17 2fy1 s ARG 93 Cb -0.02 0.32 0.04 0.00 -1.56 0.00 0.00 34.95 33.73 2fy1 s ARG 93 CO 0.05 -0.22 0.56 1.03 -0.81 0.00 0.00 175.30 175.90 2fy1 s ARG 94 N -2.18 1.35 0.49 5.12 0.52 -1.26 -4.93 118.95 118.06 2fy1 s ARG 94 Ca -0.08 -0.70 -0.18 0.00 -0.52 0.00 0.00 55.73 54.25 2fy1 s ARG 94 Cb -0.02 0.55 -0.09 0.00 0.52 0.00 0.00 34.95 35.91 2fy1 s ARG 94 CO -0.01 -0.58 0.97 -0.98 0.02 0.00 0.00 175.30 174.72 2fy1 s ARG 95 N -3.82 4.02 0.89 3.54 1.70 -1.26 -5.08 118.95 118.94 2fy1 s ARG 95 Ca 0.05 0.99 -0.11 0.00 -0.47 0.00 0.00 55.73 56.19 2fy1 s ARG 95 Cb -0.01 -2.15 0.13 0.00 -0.57 0.00 0.00 34.95 32.34 2fy1 s ARG 95 CO -0.07 -0.20 1.11 -1.25 -1.08 0.00 0.00 175.30 173.80 2fy1 s PRO 96 N -3.84 1.24 0.00 3.89 0.04 -1.26 -4.94 135.00 130.14 2fy1 s PRO 96 Ca 0.60 1.21 0.16 0.00 0.04 0.00 0.00 61.00 63.00 2fy1 s PRO 96 Cb -0.10 -1.78 0.74 0.00 0.04 0.00 0.00 34.50 33.41 2fy1 s PRO 96 CO 0.27 -2.36 1.50 -0.35 0.04 0.00 0.00 177.00 176.09 2fy1 n PRO 97 N -4.02 0.09 -1.41 0.56 -0.04 -1.26 -4.86 135.00 124.07 2fy1 n PRO 97 Ca 0.09 0.19 -0.36 0.00 -0.04 0.00 0.00 63.50 63.38 2fy1 n PRO 97 Cb 0.53 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.58 2fy1 n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fy1 n ALA 98 N -1.41 0.11 -3.32 0.55 0.00 -1.26 -5.06 120.51 110.12 2fy1 n ALA 98 Ca 0.05 -0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 2fy1 n ALA 98 Cb 0.16 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 17.40 2fy1 n ALA 98 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2fy1 s SER 99 N -1.64 -0.30 0.11 0.00 0.15 -1.26 -5.18 113.70 105.58 2fy1 s SER 99 Ca 0.76 -0.40 -0.17 0.00 0.70 0.00 0.00 55.95 56.84 2fy1 s SER 99 Cb -0.35 0.58 0.04 0.00 -1.71 0.00 0.00 66.02 64.58 2fy1 s SER 99 CO 0.48 -1.03 0.42 -0.55 1.20 0.00 0.00 173.24 173.76 2fy1 s SER 100 N -2.85 -0.27 -0.01 5.45 0.15 -1.26 -5.20 113.70 109.71 2fy1 s SER 100 Ca 0.07 -0.23 -0.14 0.00 0.70 0.00 0.00 55.95 56.35 2fy1 s SER 100 Cb -0.01 0.47 0.02 0.00 -1.71 0.00 0.00 66.02 64.80 2fy1 s SER 100 CO -0.05 -0.83 0.29 -0.60 1.20 0.00 0.00 173.24 173.25 2fy1 s ARG 101 N -3.56 0.64 0.04 5.44 3.52 -1.26 -5.18 118.95 118.60 2fy1 s ARG 101 Ca 0.01 -0.21 -0.12 0.00 -0.13 0.00 0.00 55.73 55.28 2fy1 s ARG 101 Cb 0.01 0.28 0.01 0.00 -1.56 0.00 0.00 34.95 33.70 2fy1 s ARG 101 CO -0.10 -0.17 0.25 1.21 -0.81 0.00 0.00 175.30 175.67 2fy1 s ASN 102 N -1.32 -0.05 0.10 -2.12 3.84 -1.26 -5.19 114.94 108.94 2fy1 s ASN 102 Ca -0.14 -0.26 -0.11 0.00 0.21 0.00 0.00 52.86 52.57 2fy1 s ASN 102 Cb -0.05 0.32 0.01 0.00 -0.55 0.00 0.00 41.25 40.97 2fy1 s ASN 102 CO 0.04 -0.57 0.26 0.00 -2.79 0.00 0.00 177.10 174.04 2fy1 s ARG 103 N -2.43 0.93 -0.42 0.43 1.70 -1.26 -5.13 118.95 112.78 2fy1 s ARG 103 Ca -0.06 -0.90 0.08 0.00 -0.47 0.00 0.00 55.73 54.38 2fy1 s ARG 103 Cb -0.01 0.38 0.28 0.00 -0.57 0.00 0.00 34.95 35.02 2fy1 s ARG 103 CO -0.03 -0.32 0.71 0.45 -1.08 0.00 0.00 175.30 175.03 2fy1 n SER 104 N -0.12 -0.65 -4.73 -2.89 2.88 -1.26 -5.15 113.62 101.70 2fy1 n SER 104 Ca -0.15 -3.00 -0.30 0.00 -1.33 0.00 0.00 58.87 54.09 2fy1 n SER 104 Cb 0.63 0.20 0.13 0.00 -0.75 0.00 0.00 64.21 64.41 2fy1 n SER 104 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2fy1 s PRO 105 N -0.86 1.41 1.99 -1.46 0.04 -1.26 -4.94 135.00 129.91 2fy1 s PRO 105 Ca 0.34 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.17 2fy1 s PRO 105 Cb 0.23 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.95 2fy1 s PRO 105 CO -0.13 -2.13 0.00 0.45 0.04 0.00 0.00 177.00 175.23 2fy1 n SER 106 N -3.80 -4.00 -3.87 6.66 2.88 -1.26 -5.07 113.62 105.17 2fy1 n SER 106 Ca 0.07 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.64 2fy1 n SER 106 Cb 0.55 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.03 2fy1 n SER 106 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2fy1 s GLY 107 N -4.33 -0.14 0.00 0.46 0.00 -1.26 -5.31 107.32 96.75 2fy1 s GLY 107 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.77 2fy1 s GLY 107 CO 0.00 5.95 0.00 1.44 0.00 0.00 0.00 173.10 180.49