#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fy1 n VAL 2 N 0.00 0.95 -1.66 1.12 0.24 -1.26 -5.00 118.33 112.72 2fy1 n VAL 2 Ca 0.00 -2.38 -0.42 0.00 -2.04 0.00 0.00 64.34 59.50 2fy1 n VAL 2 Cb 0.00 1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 33.37 2fy1 n VAL 2 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2fy1 s GLU 3 N -2.55 3.83 0.00 7.34 2.12 -1.26 -3.06 118.70 125.13 2fy1 s GLU 3 Ca 0.31 2.42 0.00 0.00 0.36 0.00 0.00 54.97 58.06 2fy1 s GLU 3 Cb 0.35 -4.23 0.00 0.00 0.26 0.00 0.00 34.13 30.51 2fy1 s GLU 3 CO -0.08 -1.31 0.00 0.00 -0.54 0.00 0.00 175.26 173.33 2fy1 n ALA 4 N 8.82 0.00 -2.85 6.30 0.00 -1.26 -4.90 120.51 126.62 2fy1 n ALA 4 Ca 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.56 2fy1 n ALA 4 Cb 0.42 -0.17 -0.07 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.38 -0.05 0.00 0.00 -1.08 -1.17 -4.47 116.67 108.52 2fy1 s ASP 5 Ca 0.00 -0.37 0.00 0.00 -0.52 0.00 0.00 52.55 51.66 2fy1 s ASP 5 Cb 0.00 0.36 0.00 0.00 -1.46 0.00 0.00 42.92 41.82 2fy1 s ASP 5 CO 0.00 -0.68 0.00 1.57 0.52 0.00 0.00 175.17 176.58 2fy1 n HIS 6 N 0.29 -1.26 0.48 -5.34 -0.00 -1.26 -4.47 115.22 103.65 2fy1 n HIS 6 Ca -0.17 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.66 2fy1 n HIS 6 Cb 0.61 0.37 0.44 0.00 -0.00 0.00 0.00 29.99 31.41 2fy1 n HIS 6 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2fy1 n PRO 7 N -2.24 0.14 -2.61 1.57 -0.04 -1.26 -4.36 135.00 126.20 2fy1 n PRO 7 Ca 0.00 0.34 -0.06 0.00 -0.04 0.00 0.00 63.50 63.74 2fy1 n PRO 7 Cb 0.00 -1.75 0.02 0.00 -0.04 0.00 0.00 33.50 31.73 2fy1 n PRO 7 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2fy1 n GLY 8 N 0.21 0.40 3.17 0.55 0.00 -1.26 -4.19 105.19 104.07 2fy1 n GLY 8 Ca 0.03 -0.38 -0.28 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 -4.90 2.15 0.00 1.61 2.20 -1.26 -1.03 119.74 118.51 2fy1 s LYS 9 Ca 0.09 -0.70 0.06 0.00 -0.36 0.00 0.00 55.97 55.05 2fy1 s LYS 9 Cb -0.04 -1.80 -0.02 0.00 -1.51 0.00 0.00 37.83 34.47 2fy1 s LYS 9 CO 0.20 0.25 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.75 2fy1 s LEU 10 N 0.09 2.08 -0.19 5.43 1.02 0.14 -1.03 118.68 126.22 2fy1 s LEU 10 Ca -0.07 -0.37 -0.07 0.00 0.02 0.00 0.00 54.13 53.64 2fy1 s LEU 10 Cb -0.13 -0.86 -0.04 0.00 0.02 0.00 0.00 46.19 45.18 2fy1 s LEU 10 CO 0.04 0.18 0.05 0.12 0.02 0.00 0.00 176.35 176.76 2fy1 s PHE 11 N -0.54 3.20 -0.10 0.29 5.36 0.16 -0.89 117.98 125.47 2fy1 s PHE 11 Ca 0.06 -0.02 0.01 0.00 -0.96 0.00 0.00 56.93 56.02 2fy1 s PHE 11 Cb -0.07 -2.08 -0.02 0.00 -0.34 0.00 0.00 43.02 40.50 2fy1 s PHE 11 CO 0.00 0.07 -0.13 0.42 -1.46 0.00 0.00 175.22 174.12 2fy1 s ILE 12 N 0.52 3.07 -0.20 3.12 1.09 0.10 -1.09 121.20 127.82 2fy1 s ILE 12 Ca 0.02 -0.68 -0.02 0.00 -1.10 0.00 0.00 60.65 58.87 2fy1 s ILE 12 Cb -0.13 -2.26 -0.00 0.00 -1.06 0.00 0.00 42.46 39.01 2fy1 s ILE 12 CO 0.01 0.55 -0.08 -0.83 -0.10 0.00 0.00 174.94 174.49 2fy1 s GLY 13 N -0.07 1.56 0.00 6.18 0.00 0.13 -1.58 107.32 113.54 2fy1 s GLY 13 Ca -0.02 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.55 2fy1 s GLY 13 CO 0.04 0.33 0.00 0.61 0.00 0.00 0.00 173.10 174.07 2fy1 n GLY 14 N 4.61 -1.36 4.88 0.20 0.00 -1.26 -1.59 105.19 110.67 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 -2.07 0.99 7.99 -1.26 -4.67 117.00 117.98 2fy1 n LEU 15 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 56.01 55.95 2fy1 n LEU 15 Cb 0.00 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.30 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 0.16 -1.81 -3.53 -1.43 5.15 -1.26 0.02 115.26 112.56 2fy1 n ASN 16 Ca 0.00 0.30 -0.25 0.00 -0.60 0.00 0.00 54.58 54.03 2fy1 n ASN 16 Cb 0.00 -1.73 -0.01 0.00 -0.53 0.00 0.00 39.78 37.50 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 -2.21 -3.11 0.10 1.20 3.00 -1.26 -4.81 116.66 109.56 2fy1 n ARG 17 Ca -0.05 0.40 0.00 0.00 -0.01 0.00 0.00 57.85 58.19 2fy1 n ARG 17 Cb 0.42 -5.08 0.00 0.00 0.00 0.00 0.00 32.46 27.80 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 -3.77 0.00 -3.68 5.56 2.13 0.10 -5.08 120.64 115.90 2fy1 n GLU 18 Ca 0.01 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.62 2fy1 n GLU 18 Cb 0.52 -0.19 -0.04 0.00 0.27 0.00 0.00 31.44 32.01 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 2.83 0.00 6.31 -1.32 -0.41 -5.12 115.64 115.93 2fy1 s THR 19 Ca 0.00 -1.39 0.00 0.00 -1.21 0.00 0.00 61.69 59.09 2fy1 s THR 19 Cb 0.00 -3.04 0.00 0.00 -1.51 0.00 0.00 72.50 67.95 2fy1 s THR 19 CO 0.00 -0.05 0.00 0.59 -2.21 0.00 0.00 174.62 172.95 2fy1 n ASN 20 N -1.47 0.00 0.15 8.08 3.02 -1.26 -4.80 115.26 118.98 2fy1 n ASN 20 Ca 0.02 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.64 2fy1 n ASN 20 Cb 0.61 0.00 0.38 0.00 -0.61 0.00 0.00 39.78 40.17 2fy1 n ASN 20 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2fy1 n GLU 21 N 0.00 0.09 0.34 3.52 0.00 -1.26 0.43 120.64 123.77 2fy1 n GLU 21 Ca 0.00 0.57 -0.19 0.00 0.00 0.00 0.00 57.16 57.54 2fy1 n GLU 21 Cb 0.00 -2.04 -0.10 0.00 0.00 0.00 0.00 31.44 29.30 2fy1 n GLU 21 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 2fy1 h LYS 22 N 0.00 -1.03 -0.94 5.31 -0.00 -2.00 -1.11 116.57 116.80 2fy1 h LYS 22 Ca 0.00 0.07 0.11 0.00 -0.00 0.00 0.00 60.65 60.83 2fy1 h LYS 22 Cb 0.47 0.23 -0.08 0.00 -0.00 0.00 0.00 32.23 32.85 2fy1 h LYS 22 CO 0.00 -0.69 0.58 0.00 -0.00 0.00 0.00 179.45 179.34 2fy1 h MET 23 N -1.07 0.91 0.00 0.07 -0.00 -0.41 -1.78 114.93 112.64 2fy1 h MET 23 Ca -0.08 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.57 2fy1 h MET 23 Cb 0.91 -0.20 0.00 0.00 -0.00 0.00 0.00 31.60 32.30 2fy1 h MET 23 CO -0.01 0.60 0.00 1.28 -0.00 0.00 0.00 176.91 178.78 2fy1 n LEU 24 N -4.66 0.00 -0.13 -0.10 7.99 -0.52 0.07 117.00 119.65 2fy1 n LEU 24 Ca 0.17 0.85 0.14 0.00 -0.01 0.00 0.00 56.01 57.16 2fy1 n LEU 24 Cb 0.32 -0.35 0.50 0.00 -0.11 0.00 0.00 43.42 43.78 2fy1 n LEU 24 CO 0.27 -0.35 1.20 0.11 -1.51 0.00 0.00 177.39 177.12 2fy1 h LYS 25 N 0.00 0.40 0.00 3.23 1.57 -1.34 -1.57 116.57 118.86 2fy1 h LYS 25 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2fy1 h LYS 25 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.22 2fy1 h LYS 25 CO 0.00 0.27 0.00 0.00 -0.57 0.00 0.00 179.45 179.15 2fy1 n ALA 26 N -2.52 0.00 0.02 3.86 0.00 -0.67 -0.75 120.51 120.45 2fy1 n ALA 26 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.45 2fy1 n ALA 26 Cb 0.46 0.08 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 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 0.30 -0.02 0.00 2.07 -0.16 -0.36 116.25 118.09 2fy1 h VAL 27 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2fy1 h VAL 27 Cb 0.00 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 2fy1 h VAL 27 CO 0.00 0.00 -0.00 -0.26 0.02 0.00 0.00 177.57 177.33 2fy1 h PHE 28 N -0.42 0.04 0.00 1.57 -1.00 -1.45 -2.95 116.94 112.73 2fy1 h PHE 28 Ca 0.08 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.85 2fy1 h PHE 28 Cb 0.54 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.09 2fy1 h PHE 28 CO -0.38 0.37 0.15 0.41 -1.61 0.00 0.00 178.31 177.25 2fy1 n GLY 29 N -0.18 -0.75 0.32 -1.45 0.00 0.07 -2.71 105.19 100.50 2fy1 n GLY 29 Ca -0.08 0.17 0.19 0.00 0.00 0.00 0.00 46.02 46.30 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 0.28 0.00 1.61 1.79 -0.89 -3.15 116.57 116.21 2fy1 h LYS 30 Ca 0.00 -0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.39 2fy1 h LYS 30 Cb 0.30 -0.06 -0.14 0.00 -1.58 0.00 0.00 32.23 30.75 2fy1 h LYS 30 CO 0.00 0.18 -0.61 0.72 -1.08 0.00 0.00 179.45 178.66 2fy1 n HIS 31 N -5.12 0.00 -3.83 -1.35 8.25 -1.10 -5.03 115.22 107.04 2fy1 n HIS 31 Ca 0.27 -0.56 -0.09 0.00 -0.26 0.00 0.00 57.72 57.08 2fy1 n HIS 31 Cb 0.85 -0.13 0.02 0.00 1.12 0.00 0.00 29.99 31.85 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 -1.99 0.50 -0.00 -1.41 0.00 -1.18 -3.78 107.32 99.46 2fy1 s GLY 32 Ca 0.23 -0.84 -0.01 0.00 0.00 0.00 0.00 44.72 44.09 2fy1 s GLY 32 CO -0.07 -0.38 0.41 -0.56 0.00 0.00 0.00 173.10 172.50 2fy1 h PRO 33 N 2.01 -0.04 -1.25 2.90 0.13 -1.89 -3.39 132.00 130.47 2fy1 h PRO 33 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2fy1 h PRO 33 Cb 1.25 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2fy1 h PRO 33 CO 0.41 -0.03 0.00 -0.89 -0.23 0.00 0.00 178.00 177.26 2fy1 n ILE 34 N -2.27 -1.25 0.12 -3.56 -0.00 -1.26 -4.89 119.36 106.25 2fy1 n ILE 34 Ca -0.01 0.00 0.04 0.00 -0.00 0.00 0.00 62.75 62.79 2fy1 n ILE 34 Cb 0.02 -1.61 -0.06 0.00 -0.00 0.00 0.00 39.64 37.98 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 2.17 -3.87 4.38 2.88 -0.06 -4.86 113.62 114.26 2fy1 n SER 35 Ca 0.00 -0.22 -0.12 0.00 -1.33 0.00 0.00 58.87 57.20 2fy1 n SER 35 Cb 0.00 1.28 -0.13 0.00 -0.75 0.00 0.00 64.21 64.61 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 -2.36 0.10 -0.06 -1.46 2.02 -0.57 -4.99 118.70 111.39 2fy1 s GLU 36 Ca -0.01 -0.05 -0.00 0.00 0.02 0.00 0.00 54.97 54.93 2fy1 s GLU 36 Cb 0.06 0.04 0.03 0.00 0.10 0.00 0.00 34.13 34.36 2fy1 s GLU 36 CO 0.36 -0.02 -0.02 0.08 0.02 0.00 0.00 175.26 175.69 2fy1 s VAL 37 N -0.23 0.43 -0.00 2.63 1.01 -1.26 -1.14 120.40 121.83 2fy1 s VAL 37 Ca -0.03 0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.99 2fy1 s VAL 37 Cb -0.02 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 2fy1 s VAL 37 CO -0.00 0.23 -0.06 -0.22 0.00 0.00 0.00 175.10 175.05 2fy1 s LEU 38 N 1.44 2.02 -0.03 3.92 2.96 0.10 -5.03 118.68 124.07 2fy1 s LEU 38 Ca -0.03 -0.13 0.03 0.00 -0.22 0.00 0.00 54.13 53.77 2fy1 s LEU 38 Cb -0.13 -0.30 0.00 0.00 0.50 0.00 0.00 46.19 46.26 2fy1 s LEU 38 CO -0.03 0.06 -0.09 -1.48 -1.32 0.00 0.00 176.35 173.49 2fy1 s LEU 39 N -0.22 1.79 -0.14 -0.68 2.34 -1.26 -0.67 118.68 119.85 2fy1 s LEU 39 Ca 0.02 -0.20 -0.05 0.00 0.06 0.00 0.00 54.13 53.96 2fy1 s LEU 39 Cb -0.03 -0.57 -0.04 0.00 -0.56 0.00 0.00 46.19 44.99 2fy1 s LEU 39 CO -0.00 0.07 0.05 -0.63 -1.06 0.00 0.00 176.35 174.78 2fy1 s ILE 40 N 0.19 4.70 0.00 1.48 -1.09 0.17 -4.86 121.20 121.78 2fy1 s ILE 40 Ca -0.03 -0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.30 2fy1 s ILE 40 Cb -0.09 -3.05 0.00 0.00 -1.58 0.00 0.00 42.46 37.74 2fy1 s ILE 40 CO 0.01 0.54 0.00 0.29 -1.23 0.00 0.00 174.94 174.55 2fy1 n LYS 41 N 2.78 0.69 -3.62 2.79 5.02 -1.26 -1.70 118.16 122.85 2fy1 n LYS 41 Ca -0.18 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.04 2fy1 n LYS 41 Cb 0.53 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.48 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 -0.29 0.00 4.39 -4.77 -1.26 -4.84 116.67 110.89 2fy1 s ASP 42 Ca 0.00 0.46 0.00 0.00 -3.30 0.00 0.00 52.55 49.71 2fy1 s ASP 42 Cb 0.00 0.44 0.00 0.00 -1.09 0.00 0.00 42.92 42.27 2fy1 s ASP 42 CO 0.00 -0.17 0.00 -1.14 0.70 0.00 0.00 175.17 174.56 2fy1 n ARG 43 N 1.40 -0.96 -0.82 2.11 0.00 -1.26 0.22 116.66 117.35 2fy1 n ARG 43 Ca -0.10 0.15 0.00 0.00 -0.00 0.00 0.00 57.85 57.90 2fy1 n ARG 43 Cb 0.57 -3.62 0.00 0.00 0.00 0.00 0.00 32.46 29.41 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 -1.07 0.00 0.00 5.15 5.66 -1.26 -4.53 114.28 118.24 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 0.15 -0.18 0.00 0.00 -1.55 0.00 0.00 70.33 68.76 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 -0.32 1.09 2.88 0.44 -4.98 113.62 112.74 2fy1 n SER 45 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 2fy1 n SER 45 Cb 0.00 0.00 0.29 0.00 -0.75 0.00 0.00 64.21 63.75 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 0.58 -1.37 -1.46 1.57 -0.46 -3.48 116.57 111.95 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 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2fy1 h LYS 46 CO 0.00 0.39 0.00 0.45 -0.57 0.00 0.00 179.45 179.72 2fy1 n SER 47 N -4.89 -0.91 -3.05 0.86 2.88 -1.25 -5.01 113.62 102.26 2fy1 n SER 47 Ca 0.21 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.63 2fy1 n SER 47 Cb 0.56 -0.46 -0.02 0.00 -0.75 0.00 0.00 64.21 63.54 2fy1 n SER 47 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2fy1 n ARG 48 N 0.02 1.48 -3.69 -1.46 1.85 -1.26 -5.04 116.66 108.57 2fy1 n ARG 48 Ca 0.00 -1.42 -0.25 0.00 -1.00 0.00 0.00 57.85 55.18 2fy1 n ARG 48 Cb 0.00 0.35 -0.17 0.00 -1.05 0.00 0.00 32.46 31.59 2fy1 n ARG 48 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2fy1 s GLY 49 N -2.14 0.44 -0.02 2.89 0.00 -1.23 -4.53 107.32 102.73 2fy1 s GLY 49 Ca 0.01 -0.28 0.01 0.00 0.00 0.00 0.00 44.72 44.47 2fy1 s GLY 49 CO 0.01 1.46 -0.04 -0.11 0.00 0.00 0.00 173.10 174.42 2fy1 s PHE 50 N 2.04 0.53 -0.13 1.90 -0.71 -0.69 -4.59 117.98 116.33 2fy1 s PHE 50 Ca 0.02 -0.10 -0.05 0.00 -1.04 0.00 0.00 56.93 55.76 2fy1 s PHE 50 Cb -0.15 -0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 41.21 2fy1 s PHE 50 CO -0.07 -0.07 0.06 0.00 -1.34 0.00 0.00 175.22 173.80 2fy1 s ALA 51 N 0.29 3.47 -0.05 1.99 0.00 -0.61 0.42 121.76 127.26 2fy1 s ALA 51 Ca -0.03 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.21 2fy1 s ALA 51 Cb -0.07 -1.75 0.01 0.00 0.00 0.00 0.00 23.12 21.31 2fy1 s ALA 51 CO -0.00 0.46 -0.12 -0.06 0.00 0.00 0.00 175.76 176.04 2fy1 s PHE 52 N -0.49 1.32 -0.02 0.00 0.08 0.15 0.02 117.98 119.05 2fy1 s PHE 52 Ca 0.10 -0.44 0.02 0.00 0.12 0.00 0.00 56.93 56.73 2fy1 s PHE 52 Cb -0.12 -0.96 0.01 0.00 -0.57 0.00 0.00 43.02 41.37 2fy1 s PHE 52 CO 0.02 -0.22 -0.05 0.42 -0.10 0.00 0.00 175.22 175.29 2fy1 s ILE 53 N 0.50 0.47 -0.14 0.64 1.01 -0.07 -0.72 121.20 122.88 2fy1 s ILE 53 Ca -0.10 -0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.31 2fy1 s ILE 53 Cb -0.14 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.86 2fy1 s ILE 53 CO 0.03 0.16 0.04 -0.89 0.00 0.00 0.00 174.94 174.28 2fy1 s THR 54 N 0.28 4.65 -0.13 2.92 2.01 -0.29 -0.68 115.64 124.39 2fy1 s THR 54 Ca -0.03 -0.10 -0.05 0.00 0.31 0.00 0.00 61.69 61.82 2fy1 s THR 54 Cb -0.07 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 2fy1 s THR 54 CO -0.00 0.53 0.04 -0.36 -0.69 0.00 0.00 174.62 174.14 2fy1 s PHE 55 N -0.17 3.26 0.52 4.92 0.40 -0.20 -0.88 117.98 125.83 2fy1 s PHE 55 Ca 0.07 0.16 0.43 0.00 -0.60 0.00 0.00 56.93 56.99 2fy1 s PHE 55 Cb -0.12 -1.93 1.63 0.00 0.51 0.00 0.00 43.02 43.11 2fy1 s PHE 55 CO 0.02 0.36 1.61 0.93 0.70 0.00 0.00 175.22 178.84 2fy1 h GLU 56 N 5.81 0.02 -4.79 0.44 5.08 -1.89 -3.40 114.58 115.85 2fy1 h GLU 56 Ca -0.45 -0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.60 2fy1 h GLU 56 Cb 1.19 -0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.22 2fy1 h GLU 56 CO 0.62 0.01 -0.75 -0.80 -1.00 0.00 0.00 179.01 177.09 2fy1 s ASN 57 N -4.20 1.09 0.32 1.42 0.01 -1.26 -4.78 114.94 107.54 2fy1 s ASN 57 Ca -0.06 -0.56 0.05 0.00 -0.71 0.00 0.00 52.86 51.58 2fy1 s ASN 57 Cb 0.27 0.01 0.55 0.00 0.41 0.00 0.00 41.25 42.50 2fy1 s ASN 57 CO 0.86 -0.16 1.81 1.55 -1.51 0.00 0.00 177.10 179.65 2fy1 h PRO 58 N 4.46 0.41 -0.45 -0.60 0.13 -1.85 -2.63 132.00 131.46 2fy1 h PRO 58 Ca -0.37 -0.12 0.05 0.00 -0.87 0.00 0.00 66.00 64.68 2fy1 h PRO 58 Cb 1.20 -0.04 -0.08 0.00 0.13 0.00 0.00 31.00 32.21 2fy1 h PRO 58 CO 0.41 0.57 -0.48 0.00 -0.23 0.00 0.00 178.00 178.27 2fy1 h ALA 59 N 1.45 -0.66 -0.29 -0.56 0.00 -1.96 -1.21 119.26 116.03 2fy1 h ALA 59 Ca 0.07 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2fy1 h ALA 59 Cb 0.52 1.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 2fy1 h ALA 59 CO 0.03 -0.91 0.05 -0.44 0.00 0.00 0.00 179.25 177.98 2fy1 h ASP 60 N -0.27 0.38 0.11 0.00 3.32 -1.81 0.45 116.42 118.61 2fy1 h ASP 60 Ca 0.08 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.10 2fy1 h ASP 60 Cb 0.47 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 2fy1 h ASP 60 CO -0.57 0.41 -0.27 0.00 -1.72 0.00 0.00 179.24 177.09 2fy1 h ALA 61 N 1.65 -0.45 -0.75 3.45 0.00 -1.12 -1.16 119.26 120.89 2fy1 h ALA 61 Ca 0.10 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.05 2fy1 h ALA 61 Cb 0.20 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 2fy1 h ALA 61 CO -0.00 -0.80 0.41 -0.22 0.00 0.00 0.00 179.25 178.64 2fy1 h LYS 62 N -0.47 0.70 0.54 0.00 3.64 -0.61 0.31 116.57 120.67 2fy1 h LYS 62 Ca 0.03 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2fy1 h LYS 62 Cb 0.50 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 2fy1 h LYS 62 CO -0.16 0.46 -0.48 -0.97 -2.27 0.00 0.00 179.45 176.04 2fy1 h ASN 63 N 0.72 -1.30 -0.88 4.20 -1.24 -0.78 0.66 115.58 116.97 2fy1 h ASN 63 Ca 0.35 0.10 0.11 0.00 0.71 0.00 0.00 56.30 57.57 2fy1 h ASN 63 Cb 0.29 0.42 -0.07 0.00 0.73 0.00 0.00 38.32 39.69 2fy1 h ASN 63 CO -0.23 -0.65 0.57 0.00 -1.29 0.00 0.00 177.43 175.83 2fy1 h ALA 64 N -1.01 1.71 0.43 1.57 0.00 -0.98 0.93 119.26 121.92 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 0.85 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2fy1 h ALA 64 CO -0.03 0.09 -0.40 0.00 0.00 0.00 0.00 179.25 178.92 2fy1 h ALA 65 N 1.58 -1.09 -0.92 0.00 0.00 -0.77 -1.38 119.26 116.67 2fy1 h ALA 65 Ca 0.42 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.27 2fy1 h ALA 65 Cb 0.51 0.62 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 2fy1 h ALA 65 CO -0.18 -1.11 0.57 -0.22 0.00 0.00 0.00 179.25 178.31 2fy1 h LYS 66 N -0.82 0.92 0.45 0.00 3.64 -0.25 -1.42 116.57 119.09 2fy1 h LYS 66 Ca -0.06 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 2fy1 h LYS 66 Cb 0.70 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 2fy1 h LYS 66 CO -0.03 0.61 -0.44 0.22 -2.27 0.00 0.00 179.45 177.54 2fy1 h ASP 67 N 0.95 -1.19 0.00 4.20 3.58 -0.87 -3.42 116.42 119.66 2fy1 h ASP 67 Ca 0.44 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.98 2fy1 h ASP 67 Cb 0.36 0.39 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2fy1 h ASP 67 CO -0.24 -0.58 0.00 0.23 -2.88 0.00 0.00 179.24 175.78 2fy1 n MET 68 N -5.06 0.00 -0.30 0.28 2.81 -0.52 -4.86 117.12 109.47 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 0.40 -0.50 0.00 0.00 -0.71 0.00 0.00 33.22 32.41 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 -0.27 0.00 0.00 7.83 0.23 -0.74 -2.41 115.26 119.90 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 -1.53 0.00 0.00 -2.08 0.00 0.00 39.78 36.17 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 -0.87 0.00 3.85 4.83 0.00 -1.13 -4.52 105.19 107.34 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 -0.11 -0.18 1.61 2.47 -1.01 -4.82 119.74 117.70 2fy1 s LYS 71 Ca 0.00 -0.43 -0.09 0.00 -1.56 0.00 0.00 55.97 53.89 2fy1 s LYS 71 Cb 0.00 -1.76 0.07 0.00 -1.46 0.00 0.00 37.83 34.68 2fy1 s LYS 71 CO 0.00 -2.91 0.42 0.45 0.16 0.00 0.00 175.35 173.47 2fy1 s SER 72 N -4.71 -0.43 0.00 1.43 0.15 -1.26 -1.22 113.70 107.65 2fy1 s SER 72 Ca 0.75 0.94 0.00 0.00 0.70 0.00 0.00 55.95 58.35 2fy1 s SER 72 Cb -0.04 0.98 0.00 0.00 -1.71 0.00 0.00 66.02 65.25 2fy1 s SER 72 CO 0.54 -0.21 0.02 0.00 1.20 0.00 0.00 173.24 174.79 2fy1 n LEU 73 N 4.65 0.00 -2.41 3.45 -0.00 -0.77 -4.91 117.00 117.01 2fy1 n LEU 73 Ca -0.18 -0.07 -0.19 0.00 -0.00 0.00 0.00 56.01 55.57 2fy1 n LEU 73 Cb 0.53 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.97 2fy1 n LEU 73 CO 0.05 0.23 0.10 0.00 -0.00 0.00 0.00 177.39 177.78 2fy1 n HIS 74 N 0.00 2.48 -1.34 1.47 1.44 -1.26 -4.88 115.22 113.13 2fy1 n HIS 74 Ca 0.00 -2.61 -0.12 0.00 -2.01 0.00 0.00 57.72 52.98 2fy1 n HIS 74 Cb 0.29 -0.24 -0.05 0.00 0.12 0.00 0.00 29.99 30.12 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 -0.51 1.17 3.48 -1.39 0.00 -1.26 -4.92 105.19 101.76 2fy1 n GLY 75 Ca 0.31 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.88 1.12 0.59 1.61 1.02 -1.26 -5.16 119.74 114.77 2fy1 s LYS 76 Ca 0.00 -0.13 -0.15 0.00 0.02 0.00 0.00 55.97 55.71 2fy1 s LYS 76 Cb 0.00 0.52 -0.04 0.00 -0.52 0.00 0.00 37.83 37.79 2fy1 s LYS 76 CO 0.00 -0.43 1.04 0.00 -0.92 0.00 0.00 175.35 175.04 2fy1 s ALA 77 N -2.53 2.80 -0.13 5.17 0.00 -1.26 -1.85 121.76 123.96 2fy1 s ALA 77 Ca -0.04 0.31 -0.05 0.00 0.00 0.00 0.00 51.96 52.19 2fy1 s ALA 77 Cb -0.01 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 2fy1 s ALA 77 CO -0.03 -0.76 0.05 0.96 0.00 0.00 0.00 175.76 175.99 2fy1 s ILE 78 N -2.56 4.72 -0.18 0.00 -4.36 -0.36 -4.67 121.20 113.79 2fy1 s ILE 78 Ca 0.62 -0.08 -0.07 0.00 -0.26 0.00 0.00 60.65 60.86 2fy1 s ILE 78 Cb -0.15 -3.06 -0.04 0.00 1.25 0.00 0.00 42.46 40.47 2fy1 s ILE 78 CO 0.38 0.55 0.05 -0.75 0.24 0.00 0.00 174.94 175.41 2fy1 s LYS 79 N -0.39 3.92 -0.12 0.37 2.36 -0.62 -2.83 119.74 122.43 2fy1 s LYS 79 Ca 0.09 -0.37 -0.00 0.00 -2.55 0.00 0.00 55.97 53.14 2fy1 s LYS 79 Cb -0.12 -3.16 -0.02 0.00 -1.05 0.00 0.00 37.83 33.48 2fy1 s LYS 79 CO 0.02 0.28 -0.11 0.08 1.55 0.00 0.00 175.35 177.16 2fy1 s VAL 80 N 0.34 3.21 0.02 4.02 1.01 -1.26 -0.69 120.40 127.05 2fy1 s VAL 80 Ca 0.02 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.41 2fy1 s VAL 80 Cb -0.13 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 2fy1 s VAL 80 CO 0.01 0.53 -0.07 -0.70 0.00 0.00 0.00 175.10 174.86 2fy1 s GLU 81 N 0.18 0.53 -0.33 2.72 2.56 -0.25 -4.81 118.70 119.31 2fy1 s GLU 81 Ca -0.07 -0.53 -0.11 0.00 0.00 0.00 0.00 54.97 54.27 2fy1 s GLU 81 Cb -0.15 -0.41 -0.00 0.00 2.00 0.00 0.00 34.13 35.56 2fy1 s GLU 81 CO 0.05 0.10 0.18 -0.65 -0.56 0.00 0.00 175.26 174.37 2fy1 s GLN 82 N -0.95 3.30 0.80 4.30 -0.21 -1.26 -0.66 119.66 124.98 2fy1 s GLN 82 Ca -0.04 -0.75 -0.15 0.00 0.02 0.00 0.00 55.36 54.44 2fy1 s GLN 82 Cb -0.07 -3.65 0.02 0.00 1.00 0.00 0.00 33.01 30.31 2fy1 s GLN 82 CO 0.00 -0.47 0.74 0.00 -2.12 0.00 0.00 175.29 173.44 2fy1 n ALA 83 N 5.02 -1.22 -0.25 6.09 0.00 -0.20 -4.85 120.51 125.10 2fy1 n ALA 83 Ca -0.13 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2fy1 n ALA 83 Cb 0.49 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.96 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 -1.79 0.00 -3.68 0.00 0.00 -1.26 -4.80 118.16 106.63 2fy1 n LYS 84 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.29 2fy1 n LYS 84 Cb 0.51 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.45 2fy1 n LYS 84 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2fy1 s LYS 85 N -0.75 0.62 0.00 1.64 1.02 -1.26 -5.06 119.74 115.96 2fy1 s LYS 85 Ca 0.00 0.82 0.23 0.00 0.02 0.00 0.00 55.97 57.03 2fy1 s LYS 85 Cb 0.00 0.26 0.06 0.00 -0.52 0.00 0.00 37.83 37.63 2fy1 s LYS 85 CO 0.00 -0.09 1.11 -0.35 -0.92 0.00 0.00 175.35 175.09 2fy1 n PRO 86 N 3.10 0.15 -3.80 -1.68 -0.04 -1.26 -5.04 135.00 126.43 2fy1 n PRO 86 Ca -0.15 -0.11 -0.04 0.00 -0.04 0.00 0.00 63.50 63.15 2fy1 n PRO 86 Cb 0.56 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.52 2fy1 n PRO 86 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2fy1 s SER 87 N -2.93 -0.13 0.52 3.54 0.15 -1.26 -5.10 113.70 108.48 2fy1 s SER 87 Ca 0.11 -0.54 -0.22 0.00 0.70 0.00 0.00 55.95 55.99 2fy1 s SER 87 Cb 0.17 0.55 -0.06 0.00 -1.71 0.00 0.00 66.02 64.97 2fy1 s SER 87 CO 0.77 -1.03 1.33 -0.36 1.20 0.00 0.00 173.24 175.15 2fy1 s PHE 88 N -3.04 2.41 0.00 3.44 0.08 -1.26 -3.62 117.98 115.99 2fy1 s PHE 88 Ca 0.14 1.40 0.00 0.00 0.12 0.00 0.00 56.93 58.59 2fy1 s PHE 88 Cb -0.02 -3.73 0.00 0.00 -0.57 0.00 0.00 43.02 38.70 2fy1 s PHE 88 CO 0.04 -2.63 0.00 0.94 -0.10 0.00 0.00 175.22 173.47 2fy1 n GLN 89 N -0.85 0.00 -1.19 0.44 7.27 -1.26 -4.90 117.38 116.89 2fy1 n GLN 89 Ca 0.09 0.00 0.16 0.00 0.07 0.00 0.00 57.00 57.32 2fy1 n GLN 89 Cb 0.45 -1.11 -0.04 0.00 2.41 0.00 0.00 30.24 31.95 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 0.10 -7.32 0.06 1.69 2.88 -1.24 -4.73 113.62 105.06 2fy1 n SER 90 Ca 0.00 1.28 0.04 0.00 -1.33 0.00 0.00 58.87 58.86 2fy1 n SER 90 Cb 0.00 -3.66 -0.05 0.00 -0.75 0.00 0.00 64.21 59.75 2fy1 n SER 90 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2fy1 h GLY 91 N -1.10 0.00 0.00 0.46 0.00 -1.94 -3.51 103.07 96.98 2fy1 h GLY 91 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2fy1 h GLY 91 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 2fy1 n GLY 92 N 1.32 -2.58 3.75 4.60 0.00 -1.26 -5.14 105.19 105.87 2fy1 n GLY 92 Ca -0.06 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.79 2.75 -2.19 1.61 0.63 -1.26 -5.01 116.66 112.40 2fy1 n ARG 93 Ca 0.00 0.98 -0.33 0.00 -0.92 0.00 0.00 57.85 57.58 2fy1 n ARG 93 Cb 0.00 -2.78 -0.00 0.00 0.45 0.00 0.00 32.46 30.12 2fy1 n ARG 93 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2fy1 s ARG 94 N -0.29 3.51 -0.10 -0.14 3.00 -1.26 -5.10 118.95 118.56 2fy1 s ARG 94 Ca 0.65 1.19 -0.11 0.00 0.00 0.00 0.00 55.73 57.46 2fy1 s ARG 94 Cb -0.49 -2.06 0.03 0.00 0.00 0.00 0.00 34.95 32.43 2fy1 s ARG 94 CO 0.46 -0.66 0.30 0.50 0.00 0.00 0.00 175.30 175.90 2fy1 s ARG 95 N -3.94 0.39 0.94 3.54 3.52 -1.26 -4.92 118.95 117.23 2fy1 s ARG 95 Ca 0.63 0.32 -0.11 0.00 -0.13 0.00 0.00 55.73 56.45 2fy1 s ARG 95 Cb -0.15 0.19 0.16 0.00 -1.56 0.00 0.00 34.95 33.59 2fy1 s ARG 95 CO 0.33 -0.06 1.10 -1.25 -0.81 0.00 0.00 175.30 174.61 2fy1 s PRO 96 N -0.05 0.82 1.10 5.12 0.04 -1.26 -4.58 135.00 136.18 2fy1 s PRO 96 Ca -0.02 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.06 2fy1 s PRO 96 Cb -0.03 -1.73 0.24 0.00 0.04 0.00 0.00 34.50 33.02 2fy1 s PRO 96 CO 0.01 -2.65 1.10 -1.25 0.04 0.00 0.00 177.00 174.24 2fy1 s PRO 97 N -4.70 -0.41 -0.12 0.56 0.04 -1.26 -4.97 135.00 124.14 2fy1 s PRO 97 Ca 0.66 0.25 -0.29 0.00 0.04 0.00 0.00 61.00 61.65 2fy1 s PRO 97 Cb -0.21 -1.66 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 2fy1 s PRO 97 CO 0.59 -3.24 1.75 0.00 0.04 0.00 0.00 177.00 176.14 2fy1 s ALA 98 N -2.96 3.39 -0.04 8.56 0.00 -1.26 -5.00 121.76 124.45 2fy1 s ALA 98 Ca 0.68 0.81 -0.02 0.00 0.00 0.00 0.00 51.96 53.43 2fy1 s ALA 98 Cb -0.15 -3.84 0.02 0.00 0.00 0.00 0.00 23.12 19.16 2fy1 s ALA 98 CO 0.57 -1.78 0.08 -1.12 0.00 0.00 0.00 175.76 173.52 2fy1 s SER 99 N 4.37 -0.05 0.28 0.00 0.01 -1.26 -4.99 113.70 112.05 2fy1 s SER 99 Ca 0.78 0.17 -0.21 0.00 1.31 0.00 0.00 55.95 58.00 2fy1 s SER 99 Cb -0.32 0.11 0.03 0.00 0.21 0.00 0.00 66.02 66.06 2fy1 s SER 99 CO 0.32 -0.08 0.77 -0.55 0.41 0.00 0.00 173.24 174.11 2fy1 s SER 100 N 0.57 -0.19 0.61 2.44 0.15 -1.26 -5.17 113.70 110.84 2fy1 s SER 100 Ca -0.04 -0.69 -0.18 0.00 0.70 0.00 0.00 55.95 55.74 2fy1 s SER 100 Cb -0.06 0.72 -0.03 0.00 -1.71 0.00 0.00 66.02 64.94 2fy1 s SER 100 CO -0.02 -1.35 1.21 -0.60 1.20 0.00 0.00 173.24 173.68 2fy1 s ARG 101 N -3.50 2.85 0.06 5.44 3.52 -1.26 -5.08 118.95 120.97 2fy1 s ARG 101 Ca 0.12 1.83 0.03 0.00 -0.13 0.00 0.00 55.73 57.58 2fy1 s ARG 101 Cb -0.05 -1.91 -0.03 0.00 -1.56 0.00 0.00 34.95 31.40 2fy1 s ARG 101 CO 0.07 -1.30 -0.11 1.21 -0.81 0.00 0.00 175.30 174.37 2fy1 s ASN 102 N -1.65 1.22 -0.72 -2.12 2.47 -1.26 -4.92 114.94 107.96 2fy1 s ASN 102 Ca 0.77 -0.59 -0.11 0.00 0.42 0.00 0.00 52.86 53.36 2fy1 s ASN 102 Cb -0.31 -0.00 0.02 0.00 -1.45 0.00 0.00 41.25 39.51 2fy1 s ASN 102 CO 0.35 -0.15 0.62 -1.14 -3.72 0.00 0.00 177.10 173.06 2fy1 n ARG 103 N 1.35 -1.65 -1.50 0.43 0.00 -1.26 -4.94 116.66 109.08 2fy1 n ARG 103 Ca -0.22 0.99 -0.38 0.00 -0.00 0.00 0.00 57.85 58.25 2fy1 n ARG 103 Cb 0.54 -2.47 0.04 0.00 0.00 0.00 0.00 32.46 30.58 2fy1 n ARG 103 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2fy1 n SER 104 N -1.91 -0.60 -4.79 6.15 7.64 -1.26 -4.98 113.62 113.87 2fy1 n SER 104 Ca -0.24 0.76 -0.31 0.00 1.01 0.00 0.00 58.87 60.09 2fy1 n SER 104 Cb 0.68 -1.22 0.08 0.00 -1.01 0.00 0.00 64.21 62.74 2fy1 n SER 104 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2fy1 s PRO 105 N -2.24 2.31 0.20 1.43 0.04 -1.26 -5.10 135.00 130.38 2fy1 s PRO 105 Ca 0.70 0.92 -0.17 0.00 0.04 0.00 0.00 61.00 62.49 2fy1 s PRO 105 Cb -0.44 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.21 2fy1 s PRO 105 CO 0.52 -1.53 0.53 0.45 0.04 0.00 0.00 177.00 177.01 2fy1 s SER 106 N -3.66 -0.26 0.00 6.66 0.15 -1.26 -5.20 113.70 110.13 2fy1 s SER 106 Ca 0.60 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.77 2fy1 s SER 106 Cb -0.16 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 2fy1 s SER 106 CO 0.55 -1.06 0.00 0.61 1.20 0.00 0.00 173.24 174.55 2fy1 n GLY 107 N -0.34 -0.62 0.00 9.45 0.00 -1.26 -5.34 105.19 107.07 2fy1 n GLY 107 Ca -0.10 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2fy1 n GLY 107 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76