#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fy1 h VAL 2 N 0.00 0.17 0.00 2.03 3.04 -1.13 -3.46 116.25 116.91 2fy1 h VAL 2 Ca 0.00 -0.77 0.00 0.00 -1.01 0.00 0.00 66.70 64.92 2fy1 h VAL 2 Cb 0.00 1.66 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 2fy1 h VAL 2 CO 0.00 0.07 0.00 -0.62 -1.01 0.00 0.00 177.57 176.01 2fy1 n GLU 3 N -3.18 0.00 0.03 4.17 1.02 -0.48 -4.42 120.64 117.78 2fy1 n GLU 3 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2fy1 n GLU 3 Cb 0.37 -3.22 0.00 0.00 -0.02 0.00 0.00 31.44 28.57 2fy1 n GLU 3 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2fy1 n ALA 4 N 0.74 3.00 -3.53 0.62 0.00 -1.26 -4.80 120.51 115.28 2fy1 n ALA 4 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2fy1 n ALA 4 Cb 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 19.45 19.58 2fy1 n ALA 4 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2fy1 s ASP 5 N -5.09 -0.35 0.22 0.00 -1.08 -1.26 -3.70 116.67 105.41 2fy1 s ASP 5 Ca 0.00 -0.05 -0.08 0.00 -0.52 0.00 0.00 52.55 51.90 2fy1 s ASP 5 Cb 0.00 0.40 0.28 0.00 -1.46 0.00 0.00 42.92 42.15 2fy1 s ASP 5 CO 0.00 -0.67 1.80 -0.74 0.52 0.00 0.00 175.17 176.08 2fy1 h HIS 6 N 2.00 0.69 -4.20 -5.34 6.17 -1.92 -3.45 115.15 109.10 2fy1 h HIS 6 Ca -0.23 0.03 -0.48 0.00 0.71 0.00 0.00 60.37 60.40 2fy1 h HIS 6 Cb 1.24 -0.21 0.03 0.00 2.52 0.00 0.00 27.41 30.99 2fy1 h HIS 6 CO 0.27 0.30 0.38 -1.25 0.71 0.00 0.00 177.93 178.34 2fy1 s PRO 7 N -6.08 3.80 0.00 5.26 0.04 -1.26 -4.88 135.00 131.88 2fy1 s PRO 7 Ca -0.13 1.00 -0.05 0.00 0.04 0.00 0.00 61.00 61.86 2fy1 s PRO 7 Cb 0.17 -2.11 -0.23 0.00 0.04 0.00 0.00 34.50 32.36 2fy1 s PRO 7 CO 0.76 -0.40 3.29 0.41 0.04 0.00 0.00 177.00 181.11 2fy1 n GLY 8 N -1.49 2.81 3.18 0.56 0.00 -1.26 -4.87 105.19 104.13 2fy1 n GLY 8 Ca 0.07 -1.05 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 2fy1 n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fy1 s LYS 9 N 1.10 2.06 0.02 1.61 1.02 -1.26 -1.49 119.74 122.80 2fy1 s LYS 9 Ca 0.58 -0.72 0.08 0.00 0.02 0.00 0.00 55.97 55.93 2fy1 s LYS 9 Cb 0.28 -1.77 -0.02 0.00 -0.52 0.00 0.00 37.83 35.79 2fy1 s LYS 9 CO 0.00 0.29 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.98 2fy1 s LEU 10 N -0.04 2.12 -0.26 3.17 1.02 0.12 -0.81 118.68 123.99 2fy1 s LEU 10 Ca -0.04 -0.50 -0.09 0.00 0.02 0.00 0.00 54.13 53.53 2fy1 s LEU 10 Cb -0.12 -1.15 -0.03 0.00 0.02 0.00 0.00 46.19 44.90 2fy1 s LEU 10 CO 0.03 0.24 0.11 0.12 0.02 0.00 0.00 176.35 176.87 2fy1 s PHE 11 N -0.70 3.13 -0.18 0.29 5.36 0.56 -1.12 117.98 125.32 2fy1 s PHE 11 Ca 0.09 -0.26 -0.06 0.00 -0.96 0.00 0.00 56.93 55.75 2fy1 s PHE 11 Cb -0.09 -2.28 -0.03 0.00 -0.34 0.00 0.00 43.02 40.27 2fy1 s PHE 11 CO 0.01 -0.30 0.02 0.42 -1.46 0.00 0.00 175.22 173.91 2fy1 s ILE 12 N 1.66 4.37 -0.23 3.12 1.09 0.53 -1.53 121.20 130.21 2fy1 s ILE 12 Ca 0.07 -0.18 -0.06 0.00 -1.10 0.00 0.00 60.65 59.37 2fy1 s ILE 12 Cb -0.15 -2.96 -0.02 0.00 -1.06 0.00 0.00 42.46 38.26 2fy1 s ILE 12 CO 0.06 0.46 0.04 -0.83 -0.10 0.00 0.00 174.94 174.56 2fy1 s GLY 13 N 0.53 1.73 0.00 6.18 0.00 0.04 -1.61 107.32 114.19 2fy1 s GLY 13 Ca 0.01 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.62 2fy1 s GLY 13 CO 0.02 0.46 0.00 0.61 0.00 0.00 0.00 173.10 174.19 2fy1 n GLY 14 N 4.78 -1.05 4.80 0.20 0.00 -1.26 -1.23 105.19 111.42 2fy1 n GLY 14 Ca -0.17 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 -1.79 0.99 7.99 -1.26 -4.66 117.00 118.27 2fy1 n LEU 15 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 56.01 55.94 2fy1 n LEU 15 Cb 0.00 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.29 2fy1 n LEU 15 CO 0.00 0.00 -0.07 -3.20 -1.51 0.00 0.00 177.39 172.61 2fy1 n ASN 16 N 0.36 -2.03 -3.65 -1.43 5.15 -1.26 -0.23 115.26 112.17 2fy1 n ASN 16 Ca 0.00 0.24 -0.27 0.00 -0.60 0.00 0.00 54.58 53.95 2fy1 n ASN 16 Cb 0.00 -1.97 -0.02 0.00 -0.53 0.00 0.00 39.78 37.26 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 -2.00 -3.13 0.02 1.20 3.00 -1.26 -4.81 116.66 109.68 2fy1 n ARG 17 Ca -0.07 0.39 0.00 0.00 -0.01 0.00 0.00 57.85 58.16 2fy1 n ARG 17 Cb 0.37 -5.09 0.00 0.00 0.00 0.00 0.00 32.46 27.74 2fy1 n ARG 17 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2fy1 n GLU 18 N -3.87 0.00 -3.81 5.56 2.13 0.68 -5.10 120.64 116.23 2fy1 n GLU 18 Ca 0.02 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.59 2fy1 n GLU 18 Cb 0.52 -0.24 0.00 0.00 0.27 0.00 0.00 31.44 31.99 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 -2.00 1.69 0.19 6.31 -1.32 -0.26 -5.13 115.64 115.12 2fy1 s THR 19 Ca 0.00 -1.45 0.00 0.00 -1.21 0.00 0.00 61.69 59.04 2fy1 s THR 19 Cb 0.00 -2.14 -0.00 0.00 -1.51 0.00 0.00 72.50 68.85 2fy1 s THR 19 CO 0.00 0.00 0.24 0.59 -2.21 0.00 0.00 174.62 173.24 2fy1 n ASN 20 N -1.81 -0.66 -0.52 8.08 3.02 -1.26 -4.89 115.26 117.22 2fy1 n ASN 20 Ca -0.00 -2.10 0.42 0.00 -0.03 0.00 0.00 54.58 52.87 2fy1 n ASN 20 Cb 0.64 1.29 0.71 0.00 -0.61 0.00 0.00 39.78 41.81 2fy1 n ASN 20 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2fy1 h GLU 21 N 0.00 0.04 0.46 3.52 4.81 -1.98 0.20 114.58 121.62 2fy1 h GLU 21 Ca -0.15 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 2fy1 h GLU 21 Cb 0.66 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 2fy1 h GLU 21 CO 0.20 0.02 -0.50 -0.22 -0.73 0.00 0.00 179.01 177.79 2fy1 h LYS 22 N 0.04 -0.93 -0.94 1.92 3.64 -2.00 -1.47 116.57 116.83 2fy1 h LYS 22 Ca 0.86 0.06 0.10 0.00 -1.27 0.00 0.00 60.65 60.40 2fy1 h LYS 22 Cb 2.95 0.21 -0.07 0.00 -0.41 0.00 0.00 32.23 34.91 2fy1 h LYS 22 CO -0.32 -0.62 0.60 0.00 -2.27 0.00 0.00 179.45 176.84 2fy1 h MET 23 N -0.97 0.92 0.40 1.90 -0.00 -1.05 -1.31 114.93 114.81 2fy1 h MET 23 Ca -0.05 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.70 59.58 2fy1 h MET 23 Cb 0.85 -0.21 -0.02 0.00 -0.00 0.00 0.00 31.60 32.23 2fy1 h MET 23 CO -0.09 0.61 -0.38 -0.07 -0.00 0.00 0.00 176.91 176.98 2fy1 h LEU 24 N 0.95 -1.03 -1.41 -0.10 4.07 -0.62 0.35 115.31 117.51 2fy1 h LEU 24 Ca 0.44 0.08 0.12 0.00 0.08 0.00 0.00 57.88 58.60 2fy1 h LEU 24 Cb 0.41 0.34 -0.06 0.00 1.08 0.00 0.00 40.66 42.43 2fy1 h LEU 24 CO -0.20 -0.50 0.52 0.11 -1.08 0.00 0.00 178.44 177.29 2fy1 h LYS 25 N -0.77 0.59 0.00 1.13 1.79 -1.26 -1.54 116.57 116.51 2fy1 h LYS 25 Ca -0.05 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 2fy1 h LYS 25 Cb 0.66 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 2fy1 h LYS 25 CO -0.04 0.39 0.00 0.00 -1.08 0.00 0.00 179.45 178.73 2fy1 n ALA 26 N -2.47 -0.20 0.11 3.86 0.00 -0.50 -0.60 120.51 120.71 2fy1 n ALA 26 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.46 2fy1 n ALA 26 Cb 0.43 0.09 -0.06 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 0.36 0.20 0.00 2.07 -0.10 0.21 116.25 118.98 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 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2fy1 h VAL 27 CO 0.00 0.00 -0.09 -0.26 0.02 0.00 0.00 177.57 177.24 2fy1 h PHE 28 N -0.51 -0.24 0.00 1.57 -1.00 -1.45 -3.14 116.94 112.17 2fy1 h PHE 28 Ca 0.03 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.81 2fy1 h PHE 28 Cb 0.54 0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.18 2fy1 h PHE 28 CO -0.27 0.03 0.15 0.41 -1.61 0.00 0.00 178.31 177.02 2fy1 n GLY 29 N -0.54 -0.73 0.33 -1.45 0.00 0.23 -2.64 105.19 100.39 2fy1 n GLY 29 Ca -0.09 0.16 0.25 0.00 0.00 0.00 0.00 46.02 46.34 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 0.07 0.00 1.61 1.79 -0.90 -3.15 116.57 115.99 2fy1 h LYS 30 Ca 0.00 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 2fy1 h LYS 30 Cb 0.31 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.91 2fy1 h LYS 30 CO 0.00 0.05 -0.42 0.72 -1.08 0.00 0.00 179.45 178.72 2fy1 n HIS 31 N -5.27 0.00 -3.79 -1.35 8.25 -1.08 -5.03 115.22 106.95 2fy1 n HIS 31 Ca 0.32 -0.32 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 2fy1 n HIS 31 Cb 1.07 -0.09 0.02 0.00 1.12 0.00 0.00 29.99 32.11 2fy1 n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2fy1 n GLY 32 N -0.34 1.23 0.02 -1.41 0.00 -1.19 -4.06 105.19 99.44 2fy1 n GLY 32 Ca 0.05 -1.30 -0.01 0.00 0.00 0.00 0.00 46.02 44.76 2fy1 n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fy1 h PRO 33 N 0.00 -0.03 -1.27 1.61 0.13 -1.90 -3.39 132.00 127.15 2fy1 h PRO 33 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2fy1 h PRO 33 Cb 1.15 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2fy1 h PRO 33 CO 0.39 -0.02 0.00 -0.89 -0.23 0.00 0.00 178.00 177.25 2fy1 n ILE 34 N -2.22 -1.27 0.46 -3.56 -0.00 -1.26 -4.88 119.36 106.63 2fy1 n ILE 34 Ca -0.00 0.00 0.07 0.00 -0.00 0.00 0.00 62.75 62.81 2fy1 n ILE 34 Cb 0.01 -1.64 -0.09 0.00 -0.00 0.00 0.00 39.64 37.93 2fy1 n ILE 34 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2fy1 n SER 35 N 0.00 0.97 -3.82 4.38 3.41 0.39 -4.86 113.62 114.09 2fy1 n SER 35 Ca 0.00 -0.58 -0.12 0.00 -0.26 0.00 0.00 58.87 57.91 2fy1 n SER 35 Cb 0.00 1.20 -0.09 0.00 -0.26 0.00 0.00 64.21 65.06 2fy1 n SER 35 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2fy1 s GLU 36 N -2.54 0.55 -0.05 4.33 2.02 -0.63 -4.99 118.70 117.40 2fy1 s GLU 36 Ca 0.02 -0.28 0.01 0.00 0.02 0.00 0.00 54.97 54.74 2fy1 s GLU 36 Cb 0.10 0.24 0.02 0.00 0.10 0.00 0.00 34.13 34.59 2fy1 s GLU 36 CO 0.59 -0.14 -0.03 0.08 0.02 0.00 0.00 175.26 175.77 2fy1 s VAL 37 N -1.29 0.49 -0.02 2.63 1.01 -1.26 -1.00 120.40 120.96 2fy1 s VAL 37 Ca -0.14 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2fy1 s VAL 37 Cb -0.06 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.78 2fy1 s VAL 37 CO 0.03 0.23 -0.05 -0.22 0.00 0.00 0.00 175.10 175.08 2fy1 s LEU 38 N 1.13 1.70 -0.07 3.92 0.20 -0.09 -5.03 118.68 120.44 2fy1 s LEU 38 Ca -0.08 -0.11 0.02 0.00 0.69 0.00 0.00 54.13 54.66 2fy1 s LEU 38 Cb -0.14 -0.34 0.01 0.00 -0.43 0.00 0.00 46.19 45.29 2fy1 s LEU 38 CO -0.01 0.01 -0.12 -0.76 -0.29 0.00 0.00 176.35 175.18 2fy1 s LEU 39 N 0.32 1.61 -0.16 -0.68 2.01 -1.26 -1.08 118.68 119.43 2fy1 s LEU 39 Ca -0.04 -0.31 -0.06 0.00 0.01 0.00 0.00 54.13 53.73 2fy1 s LEU 39 Cb -0.08 -0.85 -0.04 0.00 0.01 0.00 0.00 46.19 45.24 2fy1 s LEU 39 CO -0.00 0.02 0.04 -0.63 1.01 0.00 0.00 176.35 176.79 2fy1 s ILE 40 N 0.78 4.63 0.00 -0.59 -1.09 0.15 -4.86 121.20 120.23 2fy1 s ILE 40 Ca -0.12 -0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.20 2fy1 s ILE 40 Cb -0.15 -3.06 0.00 0.00 -1.58 0.00 0.00 42.46 37.66 2fy1 s ILE 40 CO 0.02 0.49 0.00 0.29 -1.23 0.00 0.00 174.94 174.51 2fy1 n LYS 41 N 3.30 1.77 -3.59 2.79 5.02 -1.25 -1.68 118.16 124.52 2fy1 n LYS 41 Ca -0.17 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 55.98 2fy1 n LYS 41 Cb 0.53 0.00 -0.06 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 -0.62 0.00 4.39 -4.77 -1.26 -4.88 116.67 110.52 2fy1 s ASP 42 Ca 0.00 0.97 0.00 0.00 -3.30 0.00 0.00 52.55 50.22 2fy1 s ASP 42 Cb 0.00 0.90 0.00 0.00 -1.09 0.00 0.00 42.92 42.73 2fy1 s ASP 42 CO 0.00 -0.38 0.00 -1.14 0.70 0.00 0.00 175.17 174.35 2fy1 n ARG 43 N 1.73 0.00 -0.44 2.11 0.63 -1.26 0.56 116.66 119.99 2fy1 n ARG 43 Ca -0.15 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.78 2fy1 n ARG 43 Cb 0.56 -2.94 0.00 0.00 0.45 0.00 0.00 32.46 30.53 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 -1.17 0.00 0.00 5.15 5.66 -1.26 -4.79 114.28 117.87 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 -1.20 -3.05 0.00 0.00 175.07 170.82 2fy1 n SER 45 N 0.00 0.00 -0.33 1.09 7.64 0.18 -4.98 113.62 117.22 2fy1 n SER 45 Ca 0.00 0.00 0.19 0.00 1.01 0.00 0.00 58.87 60.07 2fy1 n SER 45 Cb 0.00 0.00 0.44 0.00 -1.01 0.00 0.00 64.21 63.64 2fy1 n SER 45 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2fy1 h LYS 46 N 0.00 0.50 -0.11 1.43 1.57 -0.20 -3.48 116.57 116.28 2fy1 h LYS 46 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2fy1 h LYS 46 Cb 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2fy1 h LYS 46 CO 0.00 0.33 0.00 0.45 -0.57 0.00 0.00 179.45 179.66 2fy1 n SER 47 N -4.70 -0.07 -3.32 0.86 2.88 -1.25 -5.01 113.62 103.00 2fy1 n SER 47 Ca 0.25 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.64 2fy1 n SER 47 Cb 0.77 -0.04 -0.05 0.00 -0.75 0.00 0.00 64.21 64.15 2fy1 n SER 47 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2fy1 s ARG 48 N -0.00 1.86 -0.12 -1.46 1.04 -1.26 -5.03 118.95 113.97 2fy1 s ARG 48 Ca 0.00 -1.76 -0.02 0.00 -1.04 0.00 0.00 55.73 52.91 2fy1 s ARG 48 Cb 0.00 0.43 0.04 0.00 -2.04 0.00 0.00 34.95 33.38 2fy1 s ARG 48 CO 0.00 -0.76 0.02 0.20 -0.04 0.00 0.00 175.30 174.72 2fy1 s GLY 49 N -3.24 0.54 0.00 3.88 0.00 -1.18 -3.92 107.32 103.41 2fy1 s GLY 49 Ca 0.31 -0.34 0.01 0.00 0.00 0.00 0.00 44.72 44.70 2fy1 s GLY 49 CO 0.20 1.29 -0.03 -0.11 0.00 0.00 0.00 173.10 174.45 2fy1 s PHE 50 N 1.95 0.28 -0.13 1.90 -0.71 -0.68 -4.43 117.98 116.17 2fy1 s PHE 50 Ca 0.03 -0.14 -0.04 0.00 -1.04 0.00 0.00 56.93 55.74 2fy1 s PHE 50 Cb -0.14 -0.18 -0.03 0.00 -1.21 0.00 0.00 43.02 41.45 2fy1 s PHE 50 CO -0.06 -0.03 0.02 0.00 -1.34 0.00 0.00 175.22 173.81 2fy1 s ALA 51 N -0.33 3.32 -0.06 1.99 0.00 -0.63 0.32 121.76 126.37 2fy1 s ALA 51 Ca -0.02 -0.78 0.05 0.00 0.00 0.00 0.00 51.96 51.22 2fy1 s ALA 51 Cb -0.03 -1.65 -0.01 0.00 0.00 0.00 0.00 23.12 21.43 2fy1 s ALA 51 CO -0.00 0.42 -0.23 -0.06 0.00 0.00 0.00 175.76 175.89 2fy1 s PHE 52 N -0.36 2.50 -0.03 0.00 0.08 -0.24 -0.35 117.98 119.57 2fy1 s PHE 52 Ca 0.08 -0.64 0.03 0.00 0.12 0.00 0.00 56.93 56.52 2fy1 s PHE 52 Cb -0.12 -1.62 -0.00 0.00 -0.57 0.00 0.00 43.02 40.71 2fy1 s PHE 52 CO 0.02 -0.16 -0.13 0.42 -0.10 0.00 0.00 175.22 175.27 2fy1 s ILE 53 N -0.21 1.07 -0.17 0.64 1.01 -0.27 -0.91 121.20 122.36 2fy1 s ILE 53 Ca -0.02 -0.52 -0.06 0.00 0.00 0.00 0.00 60.65 60.05 2fy1 s ILE 53 Cb -0.13 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 2fy1 s ILE 53 CO 0.03 0.32 0.04 -0.89 0.00 0.00 0.00 174.94 174.44 2fy1 s THR 54 N 0.10 4.63 -0.13 2.92 2.01 -0.17 -0.71 115.64 124.29 2fy1 s THR 54 Ca -0.03 -0.09 -0.05 0.00 0.31 0.00 0.00 61.69 61.83 2fy1 s THR 54 Cb -0.10 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 2fy1 s THR 54 CO 0.01 0.48 0.04 -0.36 -0.69 0.00 0.00 174.62 174.11 2fy1 s PHE 55 N 0.21 3.25 0.57 4.92 0.40 -0.55 -0.46 117.98 126.33 2fy1 s PHE 55 Ca 0.03 0.16 0.39 0.00 -0.60 0.00 0.00 56.93 56.91 2fy1 s PHE 55 Cb -0.13 -1.93 1.44 0.00 0.51 0.00 0.00 43.02 42.91 2fy1 s PHE 55 CO 0.01 0.35 1.56 0.93 0.70 0.00 0.00 175.22 178.77 2fy1 h GLU 56 N 5.83 0.00 -4.35 0.44 5.08 -1.89 -3.40 114.58 116.29 2fy1 h GLU 56 Ca -0.45 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.68 2fy1 h GLU 56 Cb 1.19 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.23 2fy1 h GLU 56 CO 0.62 0.00 -0.72 -0.80 -1.00 0.00 0.00 179.01 177.11 2fy1 s ASN 57 N -4.08 0.64 0.39 1.42 0.01 -1.26 -5.04 114.94 107.01 2fy1 s ASN 57 Ca -0.04 -0.55 0.10 0.00 -0.71 0.00 0.00 52.86 51.66 2fy1 s ASN 57 Cb 0.21 0.06 0.78 0.00 0.41 0.00 0.00 41.25 42.72 2fy1 s ASN 57 CO 0.72 -0.25 1.90 1.55 -1.51 0.00 0.00 177.10 179.51 2fy1 h PRO 58 N 4.48 0.18 -0.19 -0.60 0.13 -1.88 -2.50 132.00 131.62 2fy1 h PRO 58 Ca -0.34 -0.05 0.03 0.00 -0.87 0.00 0.00 66.00 64.77 2fy1 h PRO 58 Cb 1.20 -0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2fy1 h PRO 58 CO 0.42 0.37 -0.34 0.00 -0.23 0.00 0.00 178.00 178.22 2fy1 h ALA 59 N 1.65 -0.64 -0.64 -0.56 0.00 -1.96 -1.04 119.26 116.07 2fy1 h ALA 59 Ca 0.03 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2fy1 h ALA 59 Cb 0.42 0.92 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 2fy1 h ALA 59 CO 0.03 -0.79 0.42 -0.44 0.00 0.00 0.00 179.25 178.48 2fy1 h ASP 60 N -0.28 0.65 0.15 0.00 3.32 -1.80 0.37 116.42 118.83 2fy1 h ASP 60 Ca 0.04 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.09 2fy1 h ASP 60 Cb 0.38 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 2fy1 h ASP 60 CO -0.33 0.45 -0.30 0.00 -1.72 0.00 0.00 179.24 177.34 2fy1 h ALA 61 N 1.63 -0.53 -0.67 3.45 0.00 -1.20 -0.88 119.26 121.05 2fy1 h ALA 61 Ca 0.26 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.18 2fy1 h ALA 61 Cb 0.07 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 2fy1 h ALA 61 CO -0.07 -0.85 0.34 -0.22 0.00 0.00 0.00 179.25 178.46 2fy1 h LYS 62 N -0.54 0.60 0.54 0.00 3.64 -0.51 0.51 116.57 120.81 2fy1 h LYS 62 Ca 0.02 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2fy1 h LYS 62 Cb 0.55 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2fy1 h LYS 62 CO -0.15 0.39 -0.50 -0.97 -2.27 0.00 0.00 179.45 175.95 2fy1 h ASN 63 N 0.61 -1.37 -0.92 4.20 -1.24 -0.79 0.84 115.58 116.91 2fy1 h ASN 63 Ca 0.32 0.11 0.11 0.00 0.71 0.00 0.00 56.30 57.54 2fy1 h ASN 63 Cb 0.28 0.44 -0.07 0.00 0.73 0.00 0.00 38.32 39.70 2fy1 h ASN 63 CO -0.23 -0.68 0.59 0.00 -1.29 0.00 0.00 177.43 175.82 2fy1 h ALA 64 N -0.95 1.64 0.38 1.57 0.00 -0.97 0.48 119.26 121.41 2fy1 h ALA 64 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2fy1 h ALA 64 Cb 0.88 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2fy1 h ALA 64 CO -0.04 0.15 -0.37 0.00 0.00 0.00 0.00 179.25 178.99 2fy1 h ALA 65 N 1.56 -1.05 -0.92 0.00 0.00 -0.63 -1.50 119.26 116.71 2fy1 h ALA 65 Ca 0.44 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.30 2fy1 h ALA 65 Cb 0.47 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 2fy1 h ALA 65 CO -0.20 -1.07 0.57 -0.22 0.00 0.00 0.00 179.25 178.33 2fy1 h LYS 66 N -0.74 0.93 0.33 0.00 3.11 -0.44 -2.04 116.57 117.73 2fy1 h LYS 66 Ca -0.05 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.73 2fy1 h LYS 66 Cb 0.64 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.64 2fy1 h LYS 66 CO -0.04 0.62 -0.33 0.22 -2.81 0.00 0.00 179.45 177.11 2fy1 h ASP 67 N 0.96 -0.89 0.00 4.20 3.58 -0.93 -3.42 116.42 119.91 2fy1 h ASP 67 Ca 0.43 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.95 2fy1 h ASP 67 Cb 0.34 0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.68 2fy1 h ASP 67 CO -0.23 -0.43 0.00 0.23 -2.88 0.00 0.00 179.24 175.93 2fy1 n MET 68 N -4.36 0.00 -0.24 0.28 2.81 -0.57 -4.86 117.12 110.18 2fy1 n MET 68 Ca -0.08 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 2fy1 n MET 68 Cb 0.30 -0.81 0.00 0.00 -0.71 0.00 0.00 33.22 32.00 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 -0.70 0.00 0.00 7.83 0.23 -0.83 -3.14 115.26 118.66 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 -1.24 0.00 0.00 -2.08 0.00 0.00 39.78 36.46 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 -0.53 0.00 1.33 4.83 0.00 -1.21 -4.48 105.19 105.13 2fy1 n GLY 70 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2fy1 n GLY 70 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2fy1 n LYS 71 N 0.00 -0.01 -3.67 1.61 3.00 -1.19 -4.89 118.16 113.02 2fy1 n LYS 71 Ca 0.00 -0.83 -0.09 0.00 -0.00 0.00 0.00 58.31 57.39 2fy1 n LYS 71 Cb 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 35.03 34.60 2fy1 n LYS 71 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2fy1 s SER 72 N -2.53 -0.75 0.00 3.14 1.04 -1.26 -1.43 113.70 111.91 2fy1 s SER 72 Ca 0.24 1.24 0.00 0.00 0.48 0.00 0.00 55.95 57.91 2fy1 s SER 72 Cb -0.01 1.12 0.00 0.00 0.10 0.00 0.00 66.02 67.23 2fy1 s SER 72 CO 0.17 -0.22 0.09 0.00 0.98 0.00 0.00 173.24 174.26 2fy1 n LEU 73 N 4.15 0.00 0.00 2.42 -0.00 -1.26 -4.98 117.00 117.34 2fy1 n LEU 73 Ca -0.21 -0.40 0.00 0.00 -0.00 0.00 0.00 56.01 55.40 2fy1 n LEU 73 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 2fy1 n LEU 73 CO 0.03 0.41 0.05 0.00 -0.00 0.00 0.00 177.39 177.87 2fy1 n HIS 74 N 0.00 0.00 0.00 1.47 1.44 -1.26 -5.03 115.22 111.84 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 0.50 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.61 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 0.08 1.37 2.11 -1.39 0.00 -1.26 -4.85 105.19 101.25 2fy1 n GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2fy1 n GLY 75 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2fy1 n LYS 76 N -0.94 0.00 0.00 1.61 4.81 -1.26 -5.16 118.16 117.21 2fy1 n LYS 76 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2fy1 n LYS 76 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2fy1 n LYS 76 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2fy1 n ALA 77 N -3.18 0.00 -2.71 3.14 0.00 -1.26 -4.93 120.51 111.58 2fy1 n ALA 77 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2fy1 n ALA 77 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 2fy1 n ALA 77 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2fy1 s ILE 78 N -2.00 2.58 -0.10 0.00 -4.36 -0.52 -4.51 121.20 112.30 2fy1 s ILE 78 Ca 0.00 -0.88 -0.00 0.00 -0.26 0.00 0.00 60.65 59.51 2fy1 s ILE 78 Cb 0.00 -2.00 -0.03 0.00 1.25 0.00 0.00 42.46 41.69 2fy1 s ILE 78 CO 0.00 0.57 -0.08 -0.75 0.24 0.00 0.00 174.94 174.92 2fy1 s LYS 79 N -0.25 3.11 -0.13 0.37 2.36 -0.36 -3.35 119.74 121.47 2fy1 s LYS 79 Ca 0.00 -0.58 0.01 0.00 -2.55 0.00 0.00 55.97 52.85 2fy1 s LYS 79 Cb -0.13 -2.66 0.02 0.00 -1.05 0.00 0.00 37.83 34.00 2fy1 s LYS 79 CO 0.03 0.45 -0.16 0.08 1.55 0.00 0.00 175.35 177.30 2fy1 s VAL 80 N -0.24 1.64 0.03 4.02 1.01 -1.26 -0.78 120.40 124.81 2fy1 s VAL 80 Ca 0.03 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.33 2fy1 s VAL 80 Cb -0.13 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 2fy1 s VAL 80 CO 0.03 0.47 -0.07 -0.70 0.00 0.00 0.00 175.10 174.82 2fy1 s GLU 81 N 1.17 0.53 -0.33 2.72 2.56 -0.58 -4.65 118.70 120.13 2fy1 s GLU 81 Ca -0.02 -0.55 -0.24 0.00 0.00 0.00 0.00 54.97 54.16 2fy1 s GLU 81 Cb -0.14 -0.40 0.01 0.00 2.00 0.00 0.00 34.13 35.60 2fy1 s GLU 81 CO -0.06 0.09 0.83 -1.14 -0.56 0.00 0.00 175.26 174.42 2fy1 s GLN 82 N -1.02 3.91 0.75 4.30 0.74 -1.26 -0.33 119.66 126.75 2fy1 s GLN 82 Ca -0.05 0.56 -0.15 0.00 0.05 0.00 0.00 55.36 55.77 2fy1 s GLN 82 Cb -0.07 -3.76 -0.00 0.00 1.10 0.00 0.00 33.01 30.28 2fy1 s GLN 82 CO 0.00 -0.77 0.77 0.00 -0.55 0.00 0.00 175.29 174.74 2fy1 n ALA 83 N 6.38 -0.92 -2.28 1.58 0.00 0.01 -4.68 120.51 120.60 2fy1 n ALA 83 Ca 0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 53.44 53.19 2fy1 n ALA 83 Cb 0.48 -2.00 0.07 0.00 0.00 0.00 0.00 19.45 18.00 2fy1 n ALA 83 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2fy1 n LYS 84 N -1.53 1.80 -1.21 0.00 0.00 -1.26 -4.44 118.16 111.52 2fy1 n LYS 84 Ca 0.11 -3.29 0.14 0.00 0.00 0.00 0.00 58.31 55.27 2fy1 n LYS 84 Cb 0.50 -1.41 -0.05 0.00 0.00 0.00 0.00 35.03 34.06 2fy1 n LYS 84 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2fy1 n LYS 85 N -0.48 -2.35 -0.02 1.64 5.02 -1.26 -3.04 118.16 117.68 2fy1 n LYS 85 Ca 0.19 1.79 0.06 0.00 -2.02 0.00 0.00 58.31 58.33 2fy1 n LYS 85 Cb 0.90 -2.93 0.33 0.00 -0.02 0.00 0.00 35.03 33.31 2fy1 n LYS 85 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2fy1 n PRO 86 N -3.76 1.10 0.00 1.97 -0.04 -1.26 -3.05 135.00 129.97 2fy1 n PRO 86 Ca -0.04 -0.16 0.09 0.00 -0.04 0.00 0.00 63.50 63.35 2fy1 n PRO 86 Cb 0.61 -1.20 -0.03 0.00 -0.04 0.00 0.00 33.50 32.84 2fy1 n PRO 86 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2fy1 n SER 87 N -0.53 1.44 -3.43 3.54 7.64 -1.26 -5.02 113.62 116.00 2fy1 n SER 87 Ca 0.09 -1.22 -0.23 0.00 1.01 0.00 0.00 58.87 58.52 2fy1 n SER 87 Cb 0.08 0.64 -0.02 0.00 -1.01 0.00 0.00 64.21 63.90 2fy1 n SER 87 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2fy1 n PHE 88 N -0.52 -1.70 -1.56 1.43 7.35 -1.17 -4.96 117.46 116.34 2fy1 n PHE 88 Ca 0.06 0.43 -0.09 0.00 -0.76 0.00 0.00 57.45 57.09 2fy1 n PHE 88 Cb 0.34 -2.44 0.06 0.00 0.35 0.00 0.00 39.48 37.79 2fy1 n PHE 88 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2fy1 n GLN 89 N -3.58 -0.21 -1.33 -4.13 0.00 -1.26 -5.06 117.38 101.82 2fy1 n GLN 89 Ca 0.01 -0.70 -0.35 0.00 0.00 0.00 0.00 57.00 55.95 2fy1 n GLN 89 Cb 0.52 -0.38 0.09 0.00 0.00 0.00 0.00 30.24 30.47 2fy1 n GLN 89 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2fy1 n SER 90 N -3.19 0.48 0.00 2.61 2.88 -1.26 -5.02 113.62 110.12 2fy1 n SER 90 Ca 0.05 0.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 2fy1 n SER 90 Cb 0.18 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.23 2fy1 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2fy1 n GLY 91 N 1.06 3.71 0.00 0.46 0.00 -1.26 -5.03 105.19 104.13 2fy1 n GLY 91 Ca 0.13 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2fy1 n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fy1 n GLY 92 N -1.41 1.19 2.21 -0.02 0.00 -1.24 -4.50 105.19 101.41 2fy1 n GLY 92 Ca 0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 2fy1 n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2fy1 n ARG 93 N 0.00 3.14 -3.83 1.61 0.63 -1.26 -1.38 116.66 115.56 2fy1 n ARG 93 Ca 0.00 -1.80 -0.11 0.00 -0.92 0.00 0.00 57.85 55.02 2fy1 n ARG 93 Cb 0.00 -2.53 -0.09 0.00 0.45 0.00 0.00 32.46 30.29 2fy1 n ARG 93 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2fy1 s ARG 94 N 1.78 0.62 0.66 -0.14 3.52 -1.26 -5.06 118.95 119.07 2fy1 s ARG 94 Ca 0.69 -0.46 -0.16 0.00 -0.13 0.00 0.00 55.73 55.67 2fy1 s ARG 94 Cb 0.23 0.26 -0.00 0.00 -1.56 0.00 0.00 34.95 33.88 2fy1 s ARG 94 CO -0.04 -0.17 1.13 -0.98 -0.81 0.00 0.00 175.30 174.43 2fy1 s ARG 95 N -1.92 2.75 0.91 5.12 1.70 -1.26 -0.87 118.95 125.38 2fy1 s ARG 95 Ca -0.10 1.50 -0.13 0.00 -0.47 0.00 0.00 55.73 56.53 2fy1 s ARG 95 Cb -0.04 -1.94 0.14 0.00 -0.57 0.00 0.00 34.95 32.55 2fy1 s ARG 95 CO -0.00 -1.31 1.18 -1.25 -1.08 0.00 0.00 175.30 172.84 2fy1 s PRO 96 N -3.93 1.10 0.98 3.89 0.04 -1.26 -4.70 135.00 131.12 2fy1 s PRO 96 Ca 0.69 0.10 -0.11 0.00 0.04 0.00 0.00 61.00 61.72 2fy1 s PRO 96 Cb -0.23 -1.85 0.18 0.00 0.04 0.00 0.00 34.50 32.64 2fy1 s PRO 96 CO 0.40 -2.18 1.09 -1.25 0.04 0.00 0.00 177.00 175.09 2fy1 s PRO 97 N -5.47 0.56 0.17 0.56 0.04 -1.26 -5.06 135.00 124.53 2fy1 s PRO 97 Ca 0.66 1.06 0.01 0.00 0.04 0.00 0.00 61.00 62.77 2fy1 s PRO 97 Cb -0.12 -1.71 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 2fy1 s PRO 97 CO 0.52 -2.79 0.01 0.00 0.04 0.00 0.00 177.00 174.79 2fy1 s ALA 98 N -2.70 1.28 0.19 8.56 0.00 -1.26 -5.02 121.76 122.81 2fy1 s ALA 98 Ca 0.66 -1.58 -0.06 0.00 0.00 0.00 0.00 51.96 50.98 2fy1 s ALA 98 Cb -0.21 0.61 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 2fy1 s ALA 98 CO 0.60 -0.35 0.24 -1.12 0.00 0.00 0.00 175.76 175.12 2fy1 s SER 99 N -3.16 0.09 0.17 0.00 0.01 -1.26 -5.19 113.70 104.36 2fy1 s SER 99 Ca 0.24 -1.11 -0.07 0.00 1.31 0.00 0.00 55.95 56.32 2fy1 s SER 99 Cb 0.06 0.43 -0.02 0.00 0.21 0.00 0.00 66.02 66.70 2fy1 s SER 99 CO 0.04 -0.91 0.24 -0.94 0.41 0.00 0.00 173.24 172.08 2fy1 s SER 100 N -3.06 0.09 0.07 2.44 1.04 -1.26 -5.19 113.70 107.84 2fy1 s SER 100 Ca 0.27 -1.02 -0.13 0.00 0.48 0.00 0.00 55.95 55.54 2fy1 s SER 100 Cb 0.04 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.60 2fy1 s SER 100 CO 0.06 -0.88 0.30 -0.60 0.98 0.00 0.00 173.24 173.10 2fy1 s ARG 101 N -4.02 0.87 0.10 4.02 3.52 -1.26 -5.19 118.95 116.99 2fy1 s ARG 101 Ca 0.22 -0.65 -0.03 0.00 -0.13 0.00 0.00 55.73 55.14 2fy1 s ARG 101 Cb 0.04 0.38 -0.03 0.00 -1.56 0.00 0.00 34.95 33.78 2fy1 s ARG 101 CO 0.03 -0.30 0.08 1.21 -0.81 0.00 0.00 175.30 175.52 2fy1 s ASN 102 N -2.40 0.31 0.00 -2.12 2.47 -1.26 -5.19 114.94 106.75 2fy1 s ASN 102 Ca -0.01 -0.99 -0.07 0.00 0.42 0.00 0.00 52.86 52.21 2fy1 s ASN 102 Cb 0.01 0.29 0.00 0.00 -1.45 0.00 0.00 41.25 40.10 2fy1 s ASN 102 CO -0.07 -0.70 0.14 -0.60 -3.72 0.00 0.00 177.10 172.15 2fy1 s ARG 103 N -3.96 0.47 0.04 0.43 3.00 -1.26 -5.18 118.95 112.49 2fy1 s ARG 103 Ca 0.13 -0.38 0.01 0.00 -1.00 0.00 0.00 55.73 54.49 2fy1 s ARG 103 Cb 0.07 0.20 -0.03 0.00 0.00 0.00 0.00 34.95 35.19 2fy1 s ARG 103 CO -0.05 -0.11 -0.05 -1.12 0.00 0.00 0.00 175.30 173.97 2fy1 s SER 104 N -1.33 0.56 0.99 -2.12 0.01 -1.26 -5.18 113.70 105.38 2fy1 s SER 104 Ca -0.14 -0.66 -0.13 0.00 1.31 0.00 0.00 55.95 56.32 2fy1 s SER 104 Cb -0.07 0.10 0.18 0.00 0.21 0.00 0.00 66.02 66.44 2fy1 s SER 104 CO 0.02 -0.35 1.12 -2.16 0.41 0.00 0.00 173.24 172.28 2fy1 s PRO 105 N -2.21 0.47 0.15 12.44 0.04 -1.26 -5.11 135.00 139.52 2fy1 s PRO 105 Ca -0.07 0.29 -0.01 0.00 0.04 0.00 0.00 61.00 61.24 2fy1 s PRO 105 Cb -0.05 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 2fy1 s PRO 105 CO -0.03 -2.66 0.08 -1.12 0.04 0.00 0.00 177.00 173.32 2fy1 s SER 106 N -3.81 0.26 0.00 6.66 0.01 -1.26 -5.06 113.70 110.50 2fy1 s SER 106 Ca 0.66 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 56.69 2fy1 s SER 106 Cb -0.15 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.40 2fy1 s SER 106 CO 0.55 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 174.05 2fy1 n GLY 107 N -0.14 0.09 2.33 3.44 0.00 -1.26 -5.39 105.19 104.27 2fy1 n GLY 107 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2fy1 n GLY 107 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06