#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 0.79 0.84 1.12 1.01 -1.26 -5.15 120.40 117.75 2fy1 s VAL 2 Ca 0.00 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 2fy1 s VAL 2 Cb 0.00 -1.10 0.10 0.00 0.00 0.00 0.00 36.38 35.37 2fy1 s VAL 2 CO 0.00 0.00 1.09 -0.70 0.00 0.00 0.00 175.10 175.49 2fy1 s GLU 3 N 1.76 1.70 -0.86 2.72 2.12 -1.26 -4.93 118.70 119.95 2fy1 s GLU 3 Ca 0.00 0.80 -0.22 0.00 0.36 0.00 0.00 54.97 55.91 2fy1 s GLU 3 Cb -0.16 -1.86 -0.14 0.00 0.26 0.00 0.00 34.13 32.23 2fy1 s GLU 3 CO -0.07 -1.93 1.94 0.00 -0.54 0.00 0.00 175.26 174.66 2fy1 n ALA 4 N -3.67 3.29 0.00 6.30 0.00 -1.26 -3.36 120.51 121.81 2fy1 n ALA 4 Ca 0.07 -3.33 0.00 0.00 0.00 0.00 0.00 53.44 50.19 2fy1 n ALA 4 Cb 0.55 -3.62 0.00 0.00 0.00 0.00 0.00 19.45 16.39 2fy1 n ALA 4 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2fy1 n ASP 5 N 8.11 0.00 -0.07 0.00 2.03 -1.26 -4.97 116.55 120.40 2fy1 n ASP 5 Ca 0.49 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.70 2fy1 n ASP 5 Cb 0.41 0.01 0.03 0.00 -0.72 0.00 0.00 41.12 40.85 2fy1 n ASP 5 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2fy1 h HIS 6 N 0.00 0.92 -3.35 -0.67 3.86 -1.94 -3.45 115.15 110.52 2fy1 h HIS 6 Ca 0.00 -0.28 -0.54 0.00 -1.16 0.00 0.00 60.37 58.39 2fy1 h HIS 6 Cb 0.00 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.25 2fy1 h HIS 6 CO 0.00 1.05 0.44 -1.25 0.86 0.00 0.00 177.93 179.03 2fy1 s PRO 7 N -4.29 4.51 -0.07 2.45 0.04 -1.26 -4.70 135.00 131.67 2fy1 s PRO 7 Ca -0.09 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 62.38 2fy1 s PRO 7 Cb 0.12 -3.48 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 2fy1 s PRO 7 CO 0.86 -0.14 2.30 0.41 0.04 0.00 0.00 177.00 180.47 2fy1 n GLY 8 N 2.98 2.92 2.98 0.56 0.00 -1.26 -4.79 105.19 108.58 2fy1 n GLY 8 Ca 0.07 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.20 1.55 -0.01 1.61 2.20 -1.26 -0.69 119.74 122.93 2fy1 s LYS 9 Ca 0.19 -0.34 0.02 0.00 -0.36 0.00 0.00 55.97 55.47 2fy1 s LYS 9 Cb 0.11 -1.37 0.00 0.00 -1.51 0.00 0.00 37.83 35.06 2fy1 s LYS 9 CO -0.01 -0.05 -0.05 -1.17 -0.36 0.00 0.00 175.35 173.71 2fy1 s LEU 10 N 0.92 1.84 -0.21 5.43 2.96 -0.04 -1.09 118.68 128.50 2fy1 s LEU 10 Ca -0.10 -0.11 -0.07 0.00 -0.22 0.00 0.00 54.13 53.63 2fy1 s LEU 10 Cb -0.15 -0.33 -0.04 0.00 0.50 0.00 0.00 46.19 46.17 2fy1 s LEU 10 CO 0.01 0.04 0.07 0.12 -1.32 0.00 0.00 176.35 175.27 2fy1 s PHE 11 N 0.11 3.18 -0.13 5.38 5.36 0.44 -1.29 117.98 131.04 2fy1 s PHE 11 Ca -0.01 -0.10 -0.00 0.00 -0.96 0.00 0.00 56.93 55.86 2fy1 s PHE 11 Cb -0.05 -2.15 -0.02 0.00 -0.34 0.00 0.00 43.02 40.46 2fy1 s PHE 11 CO -0.00 -0.04 -0.12 0.42 -1.46 0.00 0.00 175.22 174.02 2fy1 s ILE 12 N 0.88 3.20 -0.21 3.12 1.09 0.61 -1.57 121.20 128.32 2fy1 s ILE 12 Ca 0.04 -0.61 -0.03 0.00 -1.10 0.00 0.00 60.65 58.95 2fy1 s ILE 12 Cb -0.14 -2.35 0.00 0.00 -1.06 0.00 0.00 42.46 38.92 2fy1 s ILE 12 CO 0.03 0.53 -0.08 -0.83 -0.10 0.00 0.00 174.94 174.49 2fy1 s GLY 13 N 0.23 1.56 0.00 6.18 0.00 -0.03 -1.65 107.32 113.62 2fy1 s GLY 13 Ca -0.08 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 43.44 2fy1 s GLY 13 CO 0.05 0.40 0.00 0.61 0.00 0.00 0.00 173.10 174.16 2fy1 n GLY 14 N 4.75 -1.39 4.77 0.20 0.00 -1.26 -1.52 105.19 110.73 2fy1 n GLY 14 Ca -0.19 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.45 0.99 7.99 -1.26 -4.62 117.00 118.65 2fy1 n LEU 15 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 55.96 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 -0.05 -3.20 -1.51 0.00 0.00 177.39 172.63 2fy1 n ASN 16 N 0.31 -1.38 -4.27 -1.43 5.15 -1.26 -0.23 115.26 112.14 2fy1 n ASN 16 Ca 0.00 0.18 -0.35 0.00 -0.60 0.00 0.00 54.58 53.81 2fy1 n ASN 16 Cb 0.00 -1.53 -0.06 0.00 -0.53 0.00 0.00 39.78 37.67 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 -1.60 -2.06 0.10 1.20 3.00 -1.26 -4.81 116.66 111.22 2fy1 n ARG 17 Ca -0.05 0.25 0.00 0.00 -0.01 0.00 0.00 57.85 58.05 2fy1 n ARG 17 Cb 0.24 -4.53 0.00 0.00 0.00 0.00 0.00 32.46 28.16 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 -4.36 0.00 -4.26 5.56 2.13 0.68 -5.14 120.64 115.26 2fy1 n GLU 18 Ca -0.09 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.47 2fy1 n GLU 18 Cb 0.57 -0.12 -0.07 0.00 0.27 0.00 0.00 31.44 32.09 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 2.02 0.00 6.31 -1.32 -0.49 -5.13 115.64 115.02 2fy1 s THR 19 Ca 0.00 -1.75 0.00 0.00 -1.21 0.00 0.00 61.69 58.73 2fy1 s THR 19 Cb 0.00 -2.77 0.00 0.00 -1.51 0.00 0.00 72.50 68.22 2fy1 s THR 19 CO 0.00 0.00 0.00 0.59 -2.21 0.00 0.00 174.62 173.00 2fy1 n ASN 20 N -1.27 1.99 0.18 8.08 3.02 -1.26 -4.78 115.26 121.22 2fy1 n ASN 20 Ca -0.04 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.58 2fy1 n ASN 20 Cb 0.65 0.00 0.37 0.00 -0.61 0.00 0.00 39.78 40.19 2fy1 n ASN 20 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2fy1 h GLU 21 N 0.00 0.00 0.46 3.52 9.09 -1.98 0.61 114.58 126.28 2fy1 h GLU 21 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 2fy1 h GLU 21 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2fy1 h GLU 21 CO 0.00 0.00 -0.22 -0.22 0.05 0.00 0.00 179.01 178.62 2fy1 h LYS 22 N 0.00 -0.59 -0.56 1.06 1.63 -2.00 -1.45 116.57 114.67 2fy1 h LYS 22 Ca 0.00 0.04 0.08 0.00 -0.85 0.00 0.00 60.65 59.92 2fy1 h LYS 22 Cb 0.70 0.13 -0.06 0.00 -0.60 0.00 0.00 32.23 32.40 2fy1 h LYS 22 CO 0.00 -0.29 0.21 0.00 -3.45 0.00 0.00 179.45 175.92 2fy1 h MET 23 N -1.00 0.39 0.15 1.90 -0.00 -1.32 -1.82 114.93 113.23 2fy1 h MET 23 Ca -0.06 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.70 59.61 2fy1 h MET 23 Cb 0.57 -0.09 -0.01 0.00 -0.00 0.00 0.00 31.60 32.08 2fy1 h MET 23 CO 0.10 0.26 -0.14 -0.07 -0.00 0.00 0.00 176.91 177.06 2fy1 h LEU 24 N 0.40 -0.37 -1.44 -0.10 4.07 -0.78 0.30 115.31 117.38 2fy1 h LEU 24 Ca 0.27 0.03 0.12 0.00 0.08 0.00 0.00 57.88 58.38 2fy1 h LEU 24 Cb 0.30 0.12 -0.05 0.00 1.08 0.00 0.00 40.66 42.11 2fy1 h LEU 24 CO -0.27 -0.19 0.51 0.11 -1.08 0.00 0.00 178.44 177.53 2fy1 h LYS 25 N -0.28 0.57 0.00 1.13 1.57 -1.34 -1.17 116.57 117.05 2fy1 h LYS 25 Ca -0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2fy1 h LYS 25 Cb 0.24 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2fy1 h LYS 25 CO -0.01 0.38 0.00 0.00 -0.57 0.00 0.00 179.45 179.25 2fy1 n ALA 26 N -2.47 -0.12 0.08 3.86 0.00 -0.68 -0.85 120.51 120.32 2fy1 n ALA 26 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.45 2fy1 n ALA 26 Cb 0.42 0.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 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 0.28 -0.13 0.00 2.07 -0.06 -0.99 116.25 117.41 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 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 2fy1 h VAL 27 CO 0.00 0.00 0.03 -0.26 0.02 0.00 0.00 177.57 177.36 2fy1 h PHE 28 N -0.52 0.22 0.00 1.57 -1.00 -1.39 -2.95 116.94 112.87 2fy1 h PHE 28 Ca 0.05 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.80 2fy1 h PHE 28 Cb 0.58 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.08 2fy1 h PHE 28 CO -0.33 0.37 0.17 0.41 -1.61 0.00 0.00 178.31 177.31 2fy1 n GLY 29 N -0.51 -0.74 0.34 -1.45 0.00 -0.03 -2.86 105.19 99.94 2fy1 n GLY 29 Ca -0.05 0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.00 1.61 1.79 -1.01 -3.08 116.57 115.88 2fy1 h LYS 30 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2fy1 h LYS 30 Cb 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2fy1 h LYS 30 CO 0.00 0.00 -0.03 1.58 -1.08 0.00 0.00 179.45 179.92 2fy1 n HIS 31 N -2.74 0.00 -4.00 -1.35 -0.00 -1.13 -4.97 115.22 101.02 2fy1 n HIS 31 Ca -0.01 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.04 2fy1 n HIS 31 Cb 0.67 0.07 -0.02 0.00 -0.12 0.00 0.00 29.99 30.58 2fy1 n HIS 31 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 2fy1 s GLY 32 N -0.06 1.16 -0.00 1.57 0.00 -1.16 -4.50 107.32 104.32 2fy1 s GLY 32 Ca 0.00 -1.29 -0.00 0.00 0.00 0.00 0.00 44.72 43.43 2fy1 s GLY 32 CO 0.00 -0.79 0.26 -0.56 0.00 0.00 0.00 173.10 172.02 2fy1 h PRO 33 N 2.07 -0.01 -1.25 2.90 0.13 -1.89 -3.40 132.00 130.55 2fy1 h PRO 33 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2fy1 h PRO 33 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2fy1 h PRO 33 CO 0.39 -0.01 0.00 -0.89 -0.23 0.00 0.00 178.00 177.26 2fy1 n ILE 34 N -2.09 -1.25 0.02 -3.56 -0.00 -1.26 -4.90 119.36 106.32 2fy1 n ILE 34 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2fy1 n ILE 34 Cb 0.00 -1.61 0.00 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 1.12 -3.76 4.38 2.88 -0.06 -4.88 113.62 113.29 2fy1 n SER 35 Ca 0.00 -1.10 -0.13 0.00 -1.33 0.00 0.00 58.87 56.31 2fy1 n SER 35 Cb 0.00 -0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 2fy1 n SER 35 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2fy1 s GLU 36 N -0.12 0.47 -0.09 -1.46 -6.30 -0.41 -4.96 118.70 105.82 2fy1 s GLU 36 Ca 0.01 0.24 -0.02 0.00 -2.50 0.00 0.00 54.97 52.70 2fy1 s GLU 36 Cb 0.00 0.22 0.03 0.00 0.00 0.00 0.00 34.13 34.38 2fy1 s GLU 36 CO 0.01 -0.09 0.00 0.08 0.02 0.00 0.00 175.26 175.28 2fy1 s VAL 37 N -0.32 0.42 -0.02 3.70 1.01 -1.26 -0.87 120.40 123.06 2fy1 s VAL 37 Ca -0.04 0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2fy1 s VAL 37 Cb -0.03 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.73 2fy1 s VAL 37 CO 0.02 0.20 -0.05 -0.22 0.00 0.00 0.00 175.10 175.04 2fy1 s LEU 38 N 1.95 1.73 -0.05 3.92 2.96 0.08 -5.03 118.68 124.23 2fy1 s LEU 38 Ca 0.04 -0.11 0.05 0.00 -0.22 0.00 0.00 54.13 53.90 2fy1 s LEU 38 Cb -0.13 -0.35 -0.01 0.00 0.50 0.00 0.00 46.19 46.21 2fy1 s LEU 38 CO -0.06 0.02 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.02 2fy1 s LEU 39 N 0.28 2.00 -0.08 -0.68 2.01 -1.26 -0.79 118.68 120.16 2fy1 s LEU 39 Ca -0.03 -0.44 0.02 0.00 0.01 0.00 0.00 54.13 53.69 2fy1 s LEU 39 Cb -0.07 -1.20 -0.02 0.00 0.01 0.00 0.00 46.19 44.91 2fy1 s LEU 39 CO -0.00 0.20 -0.15 -0.63 1.01 0.00 0.00 176.35 176.78 2fy1 s ILE 40 N -0.06 2.98 0.00 -0.59 -1.09 0.10 -4.89 121.20 117.65 2fy1 s ILE 40 Ca -0.04 -0.73 0.00 0.00 -2.23 0.00 0.00 60.65 57.65 2fy1 s ILE 40 Cb -0.13 -2.19 0.00 0.00 -1.58 0.00 0.00 42.46 38.56 2fy1 s ILE 40 CO 0.03 0.56 0.00 0.29 -1.23 0.00 0.00 174.94 174.60 2fy1 n LYS 41 N 2.84 0.00 -3.64 2.79 5.02 -1.25 -1.56 118.16 122.35 2fy1 n LYS 41 Ca -0.18 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.08 2fy1 n LYS 41 Cb 0.52 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 -0.10 0.00 4.39 -4.77 -1.26 -4.73 116.67 111.20 2fy1 s ASP 42 Ca 0.00 0.17 0.00 0.00 -3.30 0.00 0.00 52.55 49.42 2fy1 s ASP 42 Cb 0.00 0.17 0.00 0.00 -1.09 0.00 0.00 42.92 42.00 2fy1 s ASP 42 CO 0.00 -0.04 0.00 -1.14 0.70 0.00 0.00 175.17 174.69 2fy1 n ARG 43 N 1.42 -1.57 -0.78 2.11 0.00 -1.26 0.03 116.66 116.61 2fy1 n ARG 43 Ca -0.09 0.22 0.00 0.00 -0.00 0.00 0.00 57.85 57.98 2fy1 n ARG 43 Cb 0.57 -3.69 0.00 0.00 0.00 0.00 0.00 32.46 29.34 2fy1 n ARG 43 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 2fy1 n THR 44 N -1.02 0.00 0.00 5.15 5.66 -1.26 -4.46 114.28 118.35 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 0.22 -0.23 0.00 0.00 -1.55 0.00 0.00 70.33 68.77 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 -0.01 0.00 -0.31 1.09 2.88 0.42 -4.99 113.62 112.69 2fy1 n SER 45 Ca 0.00 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.69 2fy1 n SER 45 Cb 0.01 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 63.86 2fy1 n SER 45 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2fy1 h LYS 46 N 0.00 0.61 -0.23 -1.46 1.57 -0.62 -3.48 116.57 112.96 2fy1 h LYS 46 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2fy1 h LYS 46 Cb 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2fy1 h LYS 46 CO 0.00 0.41 0.00 0.45 -0.57 0.00 0.00 179.45 179.74 2fy1 n SER 47 N -4.65 -0.15 -4.14 0.86 2.88 -1.25 -5.02 113.62 102.14 2fy1 n SER 47 Ca 0.22 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.66 2fy1 n SER 47 Cb 0.62 -0.08 -0.10 0.00 -0.75 0.00 0.00 64.21 63.90 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 -0.00 0.87 -0.19 -1.46 3.00 -1.26 -5.01 118.95 114.89 2fy1 s ARG 48 Ca 0.00 -1.40 -0.04 0.00 -1.00 0.00 0.00 55.73 53.29 2fy1 s ARG 48 Cb 0.00 0.20 0.06 0.00 0.00 0.00 0.00 34.95 35.21 2fy1 s ARG 48 CO 0.00 -0.22 0.08 0.20 0.00 0.00 0.00 175.30 175.36 2fy1 s GLY 49 N -3.03 0.49 0.02 8.12 0.00 -1.18 -3.93 107.32 107.81 2fy1 s GLY 49 Ca 0.21 -0.51 0.01 0.00 0.00 0.00 0.00 44.72 44.42 2fy1 s GLY 49 CO -0.01 1.66 -0.05 -0.11 0.00 0.00 0.00 173.10 174.60 2fy1 s PHE 50 N 2.04 0.39 -0.13 1.90 -0.71 -0.60 -4.64 117.98 116.23 2fy1 s PHE 50 Ca 0.02 -0.38 -0.05 0.00 -1.04 0.00 0.00 56.93 55.48 2fy1 s PHE 50 Cb -0.16 -0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 41.36 2fy1 s PHE 50 CO -0.11 -0.10 0.04 0.00 -1.34 0.00 0.00 175.22 173.71 2fy1 s ALA 51 N -1.03 3.40 -0.06 1.99 0.00 -0.66 0.02 121.76 125.43 2fy1 s ALA 51 Ca -0.09 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.17 2fy1 s ALA 51 Cb -0.07 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.32 2fy1 s ALA 51 CO -0.00 0.43 -0.24 -0.06 0.00 0.00 0.00 175.76 175.89 2fy1 s PHE 52 N -0.39 2.33 -0.02 0.00 0.08 0.03 -0.28 117.98 119.72 2fy1 s PHE 52 Ca 0.09 -0.70 0.02 0.00 0.12 0.00 0.00 56.93 56.46 2fy1 s PHE 52 Cb -0.12 -1.54 0.00 0.00 -0.57 0.00 0.00 43.02 40.80 2fy1 s PHE 52 CO 0.02 -0.22 -0.08 0.42 -0.10 0.00 0.00 175.22 175.26 2fy1 s ILE 53 N -0.12 0.71 -0.18 0.64 1.01 -0.41 -0.74 121.20 122.11 2fy1 s ILE 53 Ca -0.04 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.22 2fy1 s ILE 53 Cb -0.14 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 2fy1 s ILE 53 CO 0.04 0.23 0.05 -0.89 0.00 0.00 0.00 174.94 174.36 2fy1 s THR 54 N 0.23 4.64 -0.13 2.92 2.01 -0.05 -0.86 115.64 124.39 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 -0.08 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 2fy1 s THR 54 CO 0.00 0.47 0.05 -0.36 -0.69 0.00 0.00 174.62 174.08 2fy1 s PHE 55 N 0.38 3.26 0.57 4.92 0.40 0.14 -0.88 117.98 126.76 2fy1 s PHE 55 Ca 0.02 0.17 0.38 0.00 -0.60 0.00 0.00 56.93 56.90 2fy1 s PHE 55 Cb -0.13 -1.94 1.50 0.00 0.51 0.00 0.00 43.02 42.96 2fy1 s PHE 55 CO 0.01 0.36 1.66 0.93 0.70 0.00 0.00 175.22 178.87 2fy1 h GLU 56 N 5.84 0.00 -4.54 0.44 5.08 -1.90 -3.40 114.58 116.10 2fy1 h GLU 56 Ca -0.45 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 57.62 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 0.62 0.00 -0.74 -0.80 -1.00 0.00 0.00 179.01 177.09 2fy1 s ASN 57 N -4.47 0.84 0.33 1.42 0.01 -1.26 -5.05 114.94 106.76 2fy1 s ASN 57 Ca -0.04 -0.45 0.08 0.00 -0.71 0.00 0.00 52.86 51.73 2fy1 s ASN 57 Cb 0.22 0.01 0.59 0.00 0.41 0.00 0.00 41.25 42.47 2fy1 s ASN 57 CO 0.75 -0.14 1.79 1.55 -1.51 0.00 0.00 177.10 179.54 2fy1 h PRO 58 N 4.83 0.24 -0.58 -0.60 0.13 -1.84 -2.56 132.00 131.63 2fy1 h PRO 58 Ca -0.34 -0.09 0.06 0.00 -0.87 0.00 0.00 66.00 64.76 2fy1 h PRO 58 Cb 1.20 -0.02 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 2fy1 h PRO 58 CO 0.43 0.52 -0.50 0.00 -0.23 0.00 0.00 178.00 178.21 2fy1 h ALA 59 N 1.49 -0.63 -0.54 -0.56 0.00 -1.93 -1.06 119.26 116.02 2fy1 h ALA 59 Ca 0.03 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2fy1 h ALA 59 Cb 0.63 1.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.58 2fy1 h ALA 59 CO 0.05 -0.92 0.33 -0.44 0.00 0.00 0.00 179.25 178.26 2fy1 h ASP 60 N -0.21 0.64 0.19 0.00 3.32 -1.81 0.11 116.42 118.67 2fy1 h ASP 60 Ca 0.10 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.13 2fy1 h ASP 60 Cb 0.46 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 2fy1 h ASP 60 CO -0.65 0.49 -0.31 0.00 -1.72 0.00 0.00 179.24 177.05 2fy1 h ALA 61 N 1.62 -0.58 -0.66 3.45 0.00 -1.15 0.19 119.26 122.13 2fy1 h ALA 61 Ca 0.20 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.11 2fy1 h ALA 61 Cb -0.03 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 2fy1 h ALA 61 CO -0.04 -0.87 0.34 -0.22 0.00 0.00 0.00 179.25 178.46 2fy1 h LYS 62 N -0.58 0.59 0.55 0.00 3.64 -0.60 0.11 116.57 120.28 2fy1 h LYS 62 Ca 0.01 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2fy1 h LYS 62 Cb 0.57 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2fy1 h LYS 62 CO -0.14 0.39 -0.51 -0.97 -2.27 0.00 0.00 179.45 175.95 2fy1 h ASN 63 N 0.60 -1.39 -0.85 4.20 -1.24 -0.67 0.11 115.58 116.34 2fy1 h ASN 63 Ca 0.31 0.11 0.11 0.00 0.71 0.00 0.00 56.30 57.54 2fy1 h ASN 63 Cb 0.26 0.45 -0.06 0.00 0.73 0.00 0.00 38.32 39.70 2fy1 h ASN 63 CO -0.22 -0.69 0.55 0.00 -1.29 0.00 0.00 177.43 175.78 2fy1 h ALA 64 N -0.94 1.76 0.44 1.57 0.00 -0.76 0.84 119.26 122.18 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 0.90 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2fy1 h ALA 64 CO -0.04 0.05 -0.42 0.00 0.00 0.00 0.00 179.25 178.83 2fy1 h ALA 65 N 1.59 -1.10 -0.90 0.00 0.00 -0.53 -1.25 119.26 117.06 2fy1 h ALA 65 Ca 0.41 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.25 2fy1 h ALA 65 Cb 0.54 0.64 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 2fy1 h ALA 65 CO -0.17 -1.12 0.55 -0.22 0.00 0.00 0.00 179.25 178.29 2fy1 h LYS 66 N -0.85 0.90 0.42 0.00 3.64 -0.26 -1.32 116.57 119.10 2fy1 h LYS 66 Ca -0.06 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 2fy1 h LYS 66 Cb 0.73 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 2fy1 h LYS 66 CO -0.04 0.59 -0.42 0.22 -2.27 0.00 0.00 179.45 177.54 2fy1 h ASP 67 N 0.92 -1.14 0.00 4.20 3.58 -0.88 -3.42 116.42 119.69 2fy1 h ASP 67 Ca 0.43 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.97 2fy1 h ASP 67 Cb 0.35 0.37 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2fy1 h ASP 67 CO -0.23 -0.55 0.00 0.23 -2.88 0.00 0.00 179.24 175.81 2fy1 n MET 68 N -4.94 0.00 -0.26 0.28 2.81 -0.47 -4.86 117.12 109.68 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 0.38 -0.71 0.00 0.00 -0.71 0.00 0.00 33.22 32.18 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 -0.45 0.00 0.00 7.83 0.23 -0.58 -2.72 115.26 119.56 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 -1.35 0.00 0.00 -2.08 0.00 0.00 39.78 36.35 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 -0.66 0.00 1.61 4.83 0.00 -1.08 -4.58 105.19 105.32 2fy1 n GLY 70 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.38 -3.65 1.61 3.00 -1.10 -4.83 118.16 112.80 2fy1 n LYS 71 Ca 0.00 -0.91 -0.05 0.00 -0.00 0.00 0.00 58.31 57.35 2fy1 n LYS 71 Cb 0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 35.03 34.45 2fy1 n LYS 71 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2fy1 s SER 72 N -2.97 -0.89 0.00 3.14 0.15 -1.26 -1.64 113.70 110.24 2fy1 s SER 72 Ca 0.31 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.36 2fy1 s SER 72 Cb -0.01 1.69 0.00 0.00 -1.71 0.00 0.00 66.02 65.99 2fy1 s SER 72 CO 0.21 -0.23 0.29 0.00 1.20 0.00 0.00 173.24 174.72 2fy1 n LEU 73 N 4.92 0.00 -1.28 3.45 -0.00 -1.26 -4.83 117.00 118.00 2fy1 n LEU 73 Ca -0.15 -0.17 0.04 0.00 -0.00 0.00 0.00 56.01 55.72 2fy1 n LEU 73 Cb 0.53 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.99 2fy1 n LEU 73 CO -0.01 0.18 0.12 0.00 -0.00 0.00 0.00 177.39 177.67 2fy1 n HIS 74 N 0.00 0.00 -2.28 1.47 1.44 -1.26 -5.02 115.22 109.56 2fy1 n HIS 74 Ca 0.00 -0.53 -0.15 0.00 -2.01 0.00 0.00 57.72 55.03 2fy1 n HIS 74 Cb 0.48 -0.15 -0.01 0.00 0.12 0.00 0.00 29.99 30.44 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 0.28 -0.25 0.00 -1.39 0.00 -1.26 -4.76 105.19 97.81 2fy1 n GLY 75 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2fy1 n GLY 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2fy1 n LYS 76 N -2.46 0.00 0.00 1.61 4.76 -1.26 -5.18 118.16 115.63 2fy1 n LYS 76 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 2fy1 n LYS 76 Cb 0.64 -0.18 0.00 0.00 -1.84 0.00 0.00 35.03 33.64 2fy1 n LYS 76 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2fy1 n ALA 77 N -0.92 0.00 -2.73 7.82 0.00 -1.26 -5.06 120.51 118.37 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 -2.65 2.41 -0.15 0.00 -4.36 -0.65 -4.60 121.20 111.19 2fy1 s ILE 78 Ca 0.00 -0.94 -0.06 0.00 -0.26 0.00 0.00 60.65 59.40 2fy1 s ILE 78 Cb 0.00 -1.91 -0.04 0.00 1.25 0.00 0.00 42.46 41.76 2fy1 s ILE 78 CO 0.00 0.57 0.04 -0.75 0.24 0.00 0.00 174.94 175.03 2fy1 s LYS 79 N -0.21 3.70 -0.17 0.37 2.36 -0.58 -2.64 119.74 122.58 2fy1 s LYS 79 Ca -0.01 -0.38 0.00 0.00 -2.55 0.00 0.00 55.97 53.03 2fy1 s LYS 79 Cb -0.13 -3.07 0.01 0.00 -1.05 0.00 0.00 37.83 33.58 2fy1 s LYS 79 CO 0.03 0.38 -0.17 0.08 1.55 0.00 0.00 175.35 177.22 2fy1 s VAL 80 N 0.04 2.40 0.08 4.02 1.01 -1.26 -0.85 120.40 125.84 2fy1 s VAL 80 Ca 0.04 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.20 2fy1 s VAL 80 Cb -0.12 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 2fy1 s VAL 80 CO 0.01 0.52 -0.08 -0.70 0.00 0.00 0.00 175.10 174.85 2fy1 s GLU 81 N 1.12 0.72 -0.24 2.72 2.56 -0.61 -4.78 118.70 120.20 2fy1 s GLU 81 Ca 0.01 -1.10 -0.08 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 -0.06 0.02 0.10 -1.14 -0.56 0.00 0.00 175.26 173.62 2fy1 s GLN 82 N -2.85 3.83 0.86 4.30 0.74 -1.26 -0.42 119.66 124.86 2fy1 s GLN 82 Ca 0.03 -0.40 -0.10 0.00 0.05 0.00 0.00 55.36 54.94 2fy1 s GLN 82 Cb -0.02 -3.39 0.11 0.00 1.10 0.00 0.00 33.01 30.82 2fy1 s GLN 82 CO -0.02 -0.06 1.12 0.00 -0.55 0.00 0.00 175.29 175.79 2fy1 s ALA 83 N 1.30 1.77 0.33 1.58 0.00 -0.25 -4.72 121.76 121.77 2fy1 s ALA 83 Ca 0.06 0.46 0.04 0.00 0.00 0.00 0.00 51.96 52.51 2fy1 s ALA 83 Cb -0.15 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 2fy1 s ALA 83 CO 0.05 -2.38 0.34 0.15 0.00 0.00 0.00 175.76 173.92 2fy1 s LYS 84 N -4.75 1.80 0.77 0.00 -0.14 -1.26 -4.80 119.74 111.36 2fy1 s LYS 84 Ca 0.65 -1.93 -0.15 0.00 -1.36 0.00 0.00 55.97 53.17 2fy1 s LYS 84 Cb -0.21 0.36 -0.02 0.00 -1.68 0.00 0.00 37.83 36.29 2fy1 s LYS 84 CO 0.57 -0.70 0.56 0.36 -0.76 0.00 0.00 175.35 175.39 2fy1 n LYS 85 N -0.60 0.20 -2.24 1.68 -0.00 -1.26 -4.92 118.16 111.01 2fy1 n LYS 85 Ca 0.05 0.11 -0.42 0.00 -0.00 0.00 0.00 58.31 58.06 2fy1 n LYS 85 Cb 0.62 -1.89 -0.03 0.00 -0.00 0.00 0.00 35.03 33.73 2fy1 n LYS 85 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2fy1 s PRO 86 N -3.03 4.39 -0.27 -1.58 0.04 -1.26 -4.93 135.00 128.36 2fy1 s PRO 86 Ca 0.65 2.01 -0.15 0.00 0.04 0.00 0.00 61.00 63.54 2fy1 s PRO 86 Cb -0.32 -3.23 0.08 0.00 0.04 0.00 0.00 34.50 31.07 2fy1 s PRO 86 CO 0.59 -0.28 0.66 0.45 0.04 0.00 0.00 177.00 178.46 2fy1 s SER 87 N 0.57 -0.90 0.00 6.66 0.15 -1.26 -5.03 113.70 113.88 2fy1 s SER 87 Ca 0.58 1.45 0.08 0.00 0.70 0.00 0.00 55.95 58.77 2fy1 s SER 87 Cb -0.35 1.33 0.39 0.00 -1.71 0.00 0.00 66.02 65.67 2fy1 s SER 87 CO 0.35 -0.24 1.11 0.49 1.20 0.00 0.00 173.24 176.15 2fy1 n PHE 88 N 4.31 0.00 -1.33 3.44 3.72 -1.26 -2.82 117.46 123.51 2fy1 n PHE 88 Ca -0.20 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.28 2fy1 n PHE 88 Cb 0.59 -0.28 0.17 0.00 -0.94 0.00 0.00 39.48 39.01 2fy1 n PHE 88 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2fy1 n GLN 89 N -1.28 1.40 -0.61 -1.08 7.27 -1.26 -5.12 117.38 116.69 2fy1 n GLN 89 Ca 0.04 -2.89 0.08 0.00 0.07 0.00 0.00 57.00 54.30 2fy1 n GLN 89 Cb 0.06 -1.53 -0.02 0.00 2.41 0.00 0.00 30.24 31.16 2fy1 n GLN 89 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2fy1 n SER 90 N -1.26 -5.26 -0.66 1.69 2.88 -1.13 -4.97 113.62 104.90 2fy1 n SER 90 Ca 0.17 0.65 -0.03 0.00 -1.33 0.00 0.00 58.87 58.34 2fy1 n SER 90 Cb 0.67 -1.84 -0.03 0.00 -0.75 0.00 0.00 64.21 62.26 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 -1.97 0.30 3.68 0.46 0.00 -1.26 -4.80 105.19 101.60 2fy1 n GLY 91 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.44 0.83 -0.38 -0.02 0.00 -1.26 -4.59 107.32 101.47 2fy1 s GLY 92 Ca 0.00 -1.07 0.12 0.00 0.00 0.00 0.00 44.72 43.77 2fy1 s GLY 92 CO 0.00 -0.59 1.01 -2.13 0.00 0.00 0.00 173.10 171.39 2fy1 n ARG 93 N -0.55 1.08 -1.56 2.90 0.63 -1.26 -5.12 116.66 112.79 2fy1 n ARG 93 Ca -0.05 -2.74 -0.56 0.00 -0.92 0.00 0.00 57.85 53.58 2fy1 n ARG 93 Cb 0.61 -1.07 -0.07 0.00 0.45 0.00 0.00 32.46 32.37 2fy1 n ARG 93 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2fy1 n ARG 94 N -0.01 0.52 -3.73 -0.14 0.63 -1.26 -5.00 116.66 107.68 2fy1 n ARG 94 Ca 0.10 0.19 -0.15 0.00 -0.92 0.00 0.00 57.85 57.07 2fy1 n ARG 94 Cb 0.76 -1.76 -0.15 0.00 0.45 0.00 0.00 32.46 31.76 2fy1 n ARG 94 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2fy1 s ARG 95 N 0.46 0.05 0.79 -0.14 3.00 -1.26 -5.17 118.95 116.69 2fy1 s ARG 95 Ca 0.89 0.38 -0.11 0.00 -1.00 0.00 0.00 55.73 55.89 2fy1 s ARG 95 Cb -1.14 -0.22 0.07 0.00 0.00 0.00 0.00 34.95 33.65 2fy1 s ARG 95 CO 0.54 -0.20 1.12 -1.25 0.00 0.00 0.00 175.30 175.50 2fy1 s PRO 96 N 1.43 2.02 1.02 5.12 0.04 -1.26 -5.03 135.00 138.33 2fy1 s PRO 96 Ca -0.06 1.33 -0.12 0.00 0.04 0.00 0.00 61.00 62.19 2fy1 s PRO 96 Cb -0.12 -1.86 0.20 0.00 0.04 0.00 0.00 34.50 32.76 2fy1 s PRO 96 CO -0.05 -1.85 1.08 -1.25 0.04 0.00 0.00 177.00 174.97 2fy1 s PRO 97 N -4.66 0.24 0.11 0.56 0.04 -1.26 -4.94 135.00 125.09 2fy1 s PRO 97 Ca 0.64 0.82 -0.34 0.00 0.04 0.00 0.00 61.00 62.16 2fy1 s PRO 97 Cb -0.20 -1.69 -0.14 0.00 0.04 0.00 0.00 34.50 32.51 2fy1 s PRO 97 CO 0.54 -2.94 1.62 0.00 0.04 0.00 0.00 177.00 176.26 2fy1 n ALA 98 N -4.36 1.16 -3.74 8.56 0.00 -1.26 -4.98 120.51 115.89 2fy1 n ALA 98 Ca 0.06 0.42 -0.09 0.00 0.00 0.00 0.00 53.44 53.82 2fy1 n ALA 98 Cb 0.55 -2.36 0.02 0.00 0.00 0.00 0.00 19.45 17.65 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 1.48 0.07 0.08 0.00 0.15 -1.26 -5.20 113.70 109.02 2fy1 s SER 99 Ca 0.82 -1.17 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2fy1 s SER 99 Cb -0.70 0.84 -0.04 0.00 -1.71 0.00 0.00 66.02 64.41 2fy1 s SER 99 CO 0.41 -1.66 -0.03 -0.44 1.20 0.00 0.00 173.24 172.72 2fy1 s SER 100 N -3.08 0.71 -0.07 5.45 0.01 -1.26 -5.18 113.70 110.29 2fy1 s SER 100 Ca 0.16 -1.04 -0.06 0.00 1.31 0.00 0.00 55.95 56.33 2fy1 s SER 100 Cb -0.05 0.17 0.02 0.00 0.21 0.00 0.00 66.02 66.38 2fy1 s SER 100 CO 0.12 -0.57 0.17 -0.60 0.41 0.00 0.00 173.24 172.77 2fy1 s ARG 101 N -3.91 0.19 0.27 12.44 3.00 -1.26 -5.18 118.95 124.50 2fy1 s ARG 101 Ca 0.11 0.27 0.02 0.00 -1.00 0.00 0.00 55.73 55.13 2fy1 s ARG 101 Cb 0.07 0.06 -0.05 0.00 0.00 0.00 0.00 34.95 35.02 2fy1 s ARG 101 CO -0.06 -0.05 0.08 -0.80 0.00 0.00 0.00 175.30 174.47 2fy1 s ASN 102 N 0.27 1.47 0.55 -2.12 -0.87 -1.26 -5.15 114.94 107.83 2fy1 s ASN 102 Ca -0.01 -1.36 -0.20 0.00 -1.57 0.00 0.00 52.86 49.71 2fy1 s ASN 102 Cb -0.03 0.10 -0.05 0.00 -0.02 0.00 0.00 41.25 41.26 2fy1 s ASN 102 CO -0.01 -0.68 1.21 -0.60 -2.57 0.00 0.00 177.10 174.44 2fy1 s ARG 103 N -3.99 3.21 0.38 -0.60 3.52 -1.26 -5.02 118.95 115.19 2fy1 s ARG 103 Ca 0.36 1.84 -0.28 0.00 -0.13 0.00 0.00 55.73 57.52 2fy1 s ARG 103 Cb 0.08 -2.08 -0.10 0.00 -1.56 0.00 0.00 34.95 31.29 2fy1 s ARG 103 CO 0.13 -1.02 1.41 0.45 -0.81 0.00 0.00 175.30 175.46 2fy1 s SER 104 N -1.49 6.41 0.88 -2.12 0.15 -1.26 -5.02 113.70 111.24 2fy1 s SER 104 Ca 0.73 2.89 -0.11 0.00 0.70 0.00 0.00 55.95 60.16 2fy1 s SER 104 Cb -0.30 -2.66 0.12 0.00 -1.71 0.00 0.00 66.02 61.47 2fy1 s SER 104 CO 0.34 -0.81 1.09 -2.16 1.20 0.00 0.00 173.24 172.90 2fy1 s PRO 105 N -2.07 1.42 0.07 5.44 0.04 -1.26 -5.09 135.00 133.54 2fy1 s PRO 105 Ca 0.53 0.93 -0.09 0.00 0.04 0.00 0.00 61.00 62.41 2fy1 s PRO 105 Cb -0.43 -1.82 -0.00 0.00 0.04 0.00 0.00 34.50 32.29 2fy1 s PRO 105 CO 0.58 -2.16 0.19 -1.54 0.04 0.00 0.00 177.00 174.10 2fy1 s SER 106 N -3.36 0.09 0.00 6.66 1.04 -1.26 -5.18 113.70 111.70 2fy1 s SER 106 Ca 0.63 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.52 2fy1 s SER 106 Cb -0.18 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.25 2fy1 s SER 106 CO 0.57 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.75 2fy1 n GLY 107 N 0.27 -1.60 0.00 7.32 0.00 -1.26 -5.34 105.19 104.57 2fy1 n GLY 107 Ca -0.17 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.78 2fy1 n GLY 107 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76