#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fy8 s LEU 2 N 0.00 1.99 -0.00 -4.42 2.96 -1.26 -1.46 118.68 116.48 3fy8 s LEU 2 Ca 0.00 -0.66 0.04 0.00 -0.22 0.00 0.00 54.13 53.29 3fy8 s LEU 2 Cb 0.00 -1.25 -0.01 0.00 0.50 0.00 0.00 46.19 45.43 3fy8 s LEU 2 CO 0.00 -0.08 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.38 3fy8 s SER 3 N 1.42 1.56 0.17 3.68 0.01 -0.09 -0.91 113.70 119.54 3fy8 s SER 3 Ca 0.03 -0.28 -0.30 0.00 1.31 0.00 0.00 55.95 56.71 3fy8 s SER 3 Cb -0.14 -0.16 -0.07 0.00 0.21 0.00 0.00 66.02 65.86 3fy8 s SER 3 CO -0.10 0.14 0.96 -0.63 0.41 0.00 0.00 173.24 174.01 3fy8 s ILE 4 N -0.41 4.28 -0.20 1.44 1.01 -0.94 0.90 121.20 127.27 3fy8 s ILE 4 Ca 0.04 2.06 -0.00 0.00 0.00 0.00 0.00 60.65 62.75 3fy8 s ILE 4 Cb -0.06 -4.31 0.05 0.00 0.01 0.00 0.00 42.46 38.16 3fy8 s ILE 4 CO -0.00 0.40 -0.04 -0.22 0.00 0.00 0.00 174.94 175.07 3fy8 s LEU 5 N -0.55 2.05 -0.17 2.97 2.96 -0.58 0.16 118.68 125.52 3fy8 s LEU 5 Ca 0.44 -0.94 -0.16 0.00 -0.22 0.00 0.00 54.13 53.25 3fy8 s LEU 5 Cb -0.25 -1.02 0.04 0.00 0.50 0.00 0.00 46.19 45.47 3fy8 s LEU 5 CO 0.31 -0.22 0.45 0.54 -1.32 0.00 0.00 176.35 176.11 3fy8 s VAL 6 N 1.54 -0.00 -0.24 1.68 0.11 -0.26 -4.44 120.40 118.78 3fy8 s VAL 6 Ca -0.03 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 58.96 3fy8 s VAL 6 Cb -0.17 -0.63 -0.02 0.00 -1.53 0.00 0.00 36.38 34.02 3fy8 s VAL 6 CO -0.07 0.00 0.05 0.00 -3.33 0.00 0.00 175.10 171.75 3fy8 s ALA 7 N 0.25 3.10 0.12 1.54 0.00 -1.26 -0.71 121.76 124.80 3fy8 s ALA 7 Ca -0.00 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 50.88 3fy8 s ALA 7 Cb -0.03 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 3fy8 s ALA 7 CO 0.00 -0.46 -0.12 -3.38 0.00 0.00 0.00 175.76 171.81 3fy8 s HIS 8 N 1.56 1.24 0.21 0.00 -3.43 -0.46 -4.59 115.29 109.82 3fy8 s HIS 8 Ca 0.06 -0.62 0.02 0.00 -0.80 0.00 0.00 55.06 53.72 3fy8 s HIS 8 Cb -0.15 -0.66 0.04 0.00 -1.43 0.00 0.00 32.58 30.38 3fy8 s HIS 8 CO 0.02 0.08 0.29 -0.40 -2.00 0.00 0.00 174.74 172.73 3fy8 n ASP 9 N 0.44 0.61 0.28 7.38 5.75 -0.51 -0.66 116.55 129.84 3fy8 n ASP 9 Ca -0.15 -1.46 0.18 0.00 -0.01 0.00 0.00 54.79 53.35 3fy8 n ASP 9 Cb 0.58 -0.16 0.88 0.00 -1.03 0.00 0.00 41.12 41.38 3fy8 n ASP 9 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 3fy8 h LEU 10 N 0.00 0.00 -3.14 -2.12 3.38 -0.88 0.21 115.31 112.76 3fy8 h LEU 10 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3fy8 h LEU 10 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3fy8 h LEU 10 CO 0.12 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.65 3fy8 n GLN 11 N -2.91 2.22 -1.04 1.13 6.02 -1.26 -4.96 117.38 116.57 3fy8 n GLN 11 Ca -0.01 -2.71 -0.01 0.00 -0.01 0.00 0.00 57.00 54.25 3fy8 n GLN 11 Cb 0.17 -1.69 -0.01 0.00 1.02 0.00 0.00 30.24 29.74 3fy8 n GLN 11 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3fy8 n ARG 12 N -0.90 -0.20 -1.78 -1.09 1.74 0.73 -4.91 116.66 110.26 3fy8 n ARG 12 Ca 0.19 0.37 -0.42 0.00 -0.77 0.00 0.00 57.85 57.21 3fy8 n ARG 12 Cb 0.78 -3.79 -0.03 0.00 -1.02 0.00 0.00 32.46 28.40 3fy8 n ARG 12 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3fy8 s VAL 13 N -2.00 2.15 -0.05 1.55 1.01 -1.26 -0.55 120.40 121.24 3fy8 s VAL 13 Ca 0.00 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.15 3fy8 s VAL 13 Cb 0.00 -3.07 -0.09 0.00 0.00 0.00 0.00 36.38 33.22 3fy8 s VAL 13 CO 0.00 0.01 0.06 2.30 0.00 0.00 0.00 175.10 177.47 3fy8 n ILE 14 N 3.76 0.33 -3.89 2.22 -5.35 -0.70 -1.42 119.36 114.31 3fy8 n ILE 14 Ca 0.15 -0.25 -0.10 0.00 -0.27 0.00 0.00 62.75 62.27 3fy8 n ILE 14 Cb 0.36 -0.49 -0.09 0.00 -1.74 0.00 0.00 39.64 37.68 3fy8 n ILE 14 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3fy8 s GLY 15 N -3.55 0.11 -0.19 3.28 0.00 -1.20 -4.35 107.32 101.41 3fy8 s GLY 15 Ca -0.03 -0.42 -0.04 0.00 0.00 0.00 0.00 44.72 44.23 3fy8 s GLY 15 CO 0.29 -0.57 0.22 -0.12 0.00 0.00 0.00 173.10 172.92 3fy8 s PHE 16 N -2.50 -0.27 -0.90 1.90 2.19 0.79 -1.41 117.98 117.78 3fy8 s PHE 16 Ca -0.06 0.27 -0.02 0.00 0.33 0.00 0.00 56.93 57.45 3fy8 s PHE 16 Cb -0.02 -0.35 0.00 0.00 -1.31 0.00 0.00 43.02 41.35 3fy8 s PHE 16 CO -0.04 -0.57 0.77 0.39 1.83 0.00 0.00 175.22 177.60 3fy8 n GLU 17 N 5.32 -5.14 -1.54 10.12 1.02 -1.26 -2.18 120.64 126.98 3fy8 n GLU 17 Ca -0.05 0.60 -0.17 0.00 -0.02 0.00 0.00 57.16 57.52 3fy8 n GLU 17 Cb 0.50 -4.92 -0.07 0.00 -0.02 0.00 0.00 31.44 26.92 3fy8 n GLU 17 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fy8 n ASN 18 N -2.23 -4.99 -4.34 1.62 3.02 -1.26 -4.99 115.26 102.09 3fy8 n ASN 18 Ca -0.13 0.38 -0.17 0.00 -0.03 0.00 0.00 54.58 54.63 3fy8 n ASN 18 Cb 0.59 -3.96 -0.10 0.00 -0.61 0.00 0.00 39.78 35.70 3fy8 n ASN 18 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3fy8 s GLN 19 N -3.51 1.44 0.48 3.52 -0.21 -0.93 -4.72 119.66 115.73 3fy8 s GLN 19 Ca 0.00 -1.78 -0.22 0.00 0.02 0.00 0.00 55.36 53.39 3fy8 s GLN 19 Cb 0.00 -0.39 -0.07 0.00 1.00 0.00 0.00 33.01 33.54 3fy8 s GLN 19 CO 0.00 -0.26 1.12 -0.51 -2.12 0.00 0.00 175.29 173.52 3fy8 s LEU 20 N -3.34 3.92 0.10 2.90 1.43 -1.26 -0.15 118.68 122.29 3fy8 s LEU 20 Ca 0.36 2.17 0.26 0.00 -1.03 0.00 0.00 54.13 55.90 3fy8 s LEU 20 Cb 0.08 -4.39 0.72 0.00 0.03 0.00 0.00 46.19 42.63 3fy8 s LEU 20 CO 0.13 -0.93 1.62 -0.81 0.23 0.00 0.00 176.35 176.59 3fy8 n PRO 21 N -0.76 0.17 -4.38 1.29 -0.05 -1.26 -4.69 135.00 125.32 3fy8 n PRO 21 Ca 0.09 0.09 -0.24 0.00 -0.05 0.00 0.00 63.50 63.39 3fy8 n PRO 21 Cb 0.50 -1.65 -0.11 0.00 -0.05 0.00 0.00 33.50 32.18 3fy8 n PRO 21 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 175.50 177.12 3fy8 s TRP 22 N -3.08 2.06 -0.33 0.54 -2.14 -1.26 -5.04 118.94 109.68 3fy8 s TRP 22 Ca 0.10 -0.41 -0.11 0.00 2.66 0.00 0.00 56.10 58.34 3fy8 s TRP 22 Cb 0.15 -1.01 -0.00 0.00 -3.10 0.00 0.00 33.47 29.50 3fy8 s TRP 22 CO 0.64 0.43 0.19 -1.58 -2.66 0.00 0.00 176.95 173.96 3fy8 s HIS 23 N -1.91 3.20 -0.47 1.66 2.46 -1.26 -5.03 115.29 113.94 3fy8 s HIS 23 Ca 0.19 -0.56 0.06 0.00 0.47 0.00 0.00 55.06 55.21 3fy8 s HIS 23 Cb -0.07 -2.40 0.19 0.00 -0.13 0.00 0.00 32.58 30.17 3fy8 s HIS 23 CO 0.08 -0.47 0.61 -0.11 -2.47 0.00 0.00 174.74 172.38 3fy8 n LEU 24 N 5.02 -2.24 0.06 8.88 7.94 -1.26 -4.77 117.00 130.63 3fy8 n LEU 24 Ca -0.13 -3.53 0.11 0.00 -1.11 0.00 0.00 56.01 51.35 3fy8 n LEU 24 Cb 0.49 0.69 0.58 0.00 0.53 0.00 0.00 43.42 45.71 3fy8 n LEU 24 CO 0.35 1.93 1.14 -0.65 -1.11 0.00 0.00 177.39 179.05 3fy8 h PRO 25 N 5.03 0.19 -0.64 1.96 0.11 -1.96 0.21 132.00 136.90 3fy8 h PRO 25 Ca 0.10 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.22 3fy8 h PRO 25 Cb 1.02 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 3fy8 h PRO 25 CO 0.19 0.13 0.42 -0.91 -0.21 0.00 0.00 178.00 177.62 3fy8 h ASN 26 N 0.20 0.71 0.33 -2.05 4.21 -1.95 -1.07 115.58 115.95 3fy8 h ASN 26 Ca 0.16 -0.02 -0.21 0.00 1.21 0.00 0.00 56.30 57.45 3fy8 h ASN 26 Cb 0.38 -0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 37.41 3fy8 h ASN 26 CO -0.03 0.50 -0.86 -0.78 -1.29 0.00 0.00 177.43 174.98 3fy8 h ASP 27 N 0.83 0.49 0.40 5.81 1.82 -1.38 -0.37 116.42 124.02 3fy8 h ASP 27 Ca 0.24 -0.36 -0.14 0.00 -0.39 0.00 0.00 57.03 56.37 3fy8 h ASP 27 Cb -0.04 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 39.81 3fy8 h ASP 27 CO -0.06 1.14 -0.60 -0.07 -1.61 0.00 0.00 179.24 178.04 3fy8 h LEU 28 N 0.24 0.23 -0.69 2.28 3.38 -1.39 -0.84 115.31 118.51 3fy8 h LEU 28 Ca -0.06 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 3fy8 h LEU 28 Cb 1.47 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 3fy8 h LEU 28 CO 0.15 0.78 0.04 0.50 0.09 0.00 0.00 178.44 179.99 3fy8 h LYS 29 N 0.15 1.06 -0.86 1.13 3.64 -1.16 -2.77 116.57 117.76 3fy8 h LYS 29 Ca -0.01 -0.31 0.03 0.00 -1.27 0.00 0.00 60.65 59.10 3fy8 h LYS 29 Cb 1.10 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.76 3fy8 h LYS 29 CO 0.09 1.01 0.57 1.25 -2.27 0.00 0.00 179.45 180.09 3fy8 h HIS 30 N 0.97 1.04 -0.16 1.91 2.76 -0.44 -1.98 115.15 119.25 3fy8 h HIS 30 Ca 0.18 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.31 3fy8 h HIS 30 Cb 0.51 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 3fy8 h HIS 30 CO 0.04 0.61 -0.18 0.28 -1.30 0.00 0.00 177.93 177.37 3fy8 h VAL 31 N 1.08 1.21 0.09 5.26 2.07 -0.91 -2.11 116.25 122.94 3fy8 h VAL 31 Ca 0.34 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 3fy8 h VAL 31 Cb 0.02 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3fy8 h VAL 31 CO -0.10 0.30 -0.04 0.50 0.02 0.00 0.00 177.57 178.24 3fy8 h LYS 32 N 0.25 -0.12 -0.77 1.57 3.64 -1.13 -1.59 116.57 118.42 3fy8 h LYS 32 Ca 0.05 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.57 3fy8 h LYS 32 Cb 0.48 0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 32.19 3fy8 h LYS 32 CO 0.03 -0.08 -0.25 1.17 -2.27 0.00 0.00 179.45 178.05 3fy8 n LYS 33 N -4.68 -0.13 0.06 1.90 3.00 -0.83 -0.72 118.16 116.77 3fy8 n LYS 33 Ca -0.02 1.19 -0.08 0.00 -0.00 0.00 0.00 58.31 59.41 3fy8 n LYS 33 Cb 0.05 -1.78 0.06 0.00 0.00 0.00 0.00 35.03 33.37 3fy8 n LYS 33 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3fy8 h LEU 34 N 0.00 0.41 0.00 3.14 3.38 -1.34 -3.37 115.31 117.53 3fy8 h LEU 34 Ca 0.32 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 3fy8 h LEU 34 Cb 0.51 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3fy8 h LEU 34 CO -0.78 0.96 -1.82 -1.54 0.09 0.00 0.00 178.44 175.35 3fy8 n SER 35 N -3.86 1.47 -4.66 -0.43 3.41 -0.60 -4.94 113.62 104.01 3fy8 n SER 35 Ca -0.03 0.00 -0.47 0.00 -0.26 0.00 0.00 58.87 58.11 3fy8 n SER 35 Cb 0.67 1.34 -0.04 0.00 -0.26 0.00 0.00 64.21 65.92 3fy8 n SER 35 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3fy8 n THR 36 N -2.25 0.03 -0.50 6.66 -1.04 0.11 -1.34 114.28 115.95 3fy8 n THR 36 Ca -0.12 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 3fy8 n THR 36 Cb 0.64 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.67 3fy8 n THR 36 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fy8 n GLY 37 N 3.38 0.75 0.00 3.41 0.00 0.12 -4.96 105.19 107.89 3fy8 n GLY 37 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3fy8 n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fy8 n HIS 38 N -2.30 0.00 -4.93 1.61 -0.00 -0.45 -4.89 115.22 104.25 3fy8 n HIS 38 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.39 3fy8 n HIS 38 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 29.84 3fy8 n HIS 38 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3fy8 s THR 39 N -0.49 2.74 -0.15 1.59 2.01 -1.13 0.23 115.64 120.44 3fy8 s THR 39 Ca 0.00 -0.78 -0.13 0.00 0.31 0.00 0.00 61.69 61.08 3fy8 s THR 39 Cb 0.00 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 3fy8 s THR 39 CO 0.00 0.54 0.29 -0.76 -0.69 0.00 0.00 174.62 174.00 3fy8 s LEU 40 N 0.21 4.27 -0.21 4.42 1.43 0.98 -0.15 118.68 129.63 3fy8 s LEU 40 Ca -0.10 0.54 -0.07 0.00 -1.03 0.00 0.00 54.13 53.47 3fy8 s LEU 40 Cb -0.16 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 3fy8 s LEU 40 CO 0.06 0.14 0.06 -0.69 0.23 0.00 0.00 176.35 176.14 3fy8 s VAL 41 N 0.25 4.49 0.14 -1.59 1.01 -0.69 0.51 120.40 124.52 3fy8 s VAL 41 Ca 0.17 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.09 3fy8 s VAL 41 Cb -0.13 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 3fy8 s VAL 41 CO 0.05 0.40 -0.14 0.00 0.00 0.00 0.00 175.10 175.41 3fy8 s MET 42 N 0.95 1.11 0.79 2.72 0.23 -0.42 -1.44 119.30 123.24 3fy8 s MET 42 Ca 0.03 -1.34 -0.11 0.00 -1.03 0.00 0.00 55.69 53.24 3fy8 s MET 42 Cb -0.14 -0.96 0.07 0.00 -1.53 0.00 0.00 34.83 32.27 3fy8 s MET 42 CO 0.03 0.18 1.12 0.20 -2.03 0.00 0.00 175.02 174.52 3fy8 s GLY 43 N -2.70 1.82 0.30 3.16 0.00 0.16 -0.93 107.32 109.13 3fy8 s GLY 43 Ca 0.13 0.46 0.03 0.00 0.00 0.00 0.00 44.72 45.34 3fy8 s GLY 43 CO 0.04 0.83 1.84 -0.09 0.00 0.00 0.00 173.10 175.72 3fy8 h ARG 44 N -1.09 0.89 -0.31 2.90 1.12 -1.67 -1.99 114.38 114.24 3fy8 h ARG 44 Ca -0.44 -0.05 -0.16 0.00 -1.11 0.00 0.00 59.98 58.21 3fy8 h ARG 44 Cb 1.25 -0.20 -0.00 0.00 -0.01 0.00 0.00 29.97 31.01 3fy8 h ARG 44 CO 0.49 0.59 -0.44 0.87 -3.11 0.00 0.00 179.97 178.36 3fy8 h LYS 45 N 0.92 0.84 -0.61 0.20 1.57 -1.92 -1.21 116.57 116.37 3fy8 h LYS 45 Ca 0.50 -0.49 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3fy8 h LYS 45 Cb 0.57 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 3fy8 h LYS 45 CO -0.26 1.13 0.31 1.15 -0.57 0.00 0.00 179.45 181.21 3fy8 h THR 46 N 0.62 1.19 -0.61 -0.16 2.02 -1.76 -1.41 112.91 112.81 3fy8 h THR 46 Ca 0.03 -0.51 -0.05 0.00 0.77 0.00 0.00 66.41 66.65 3fy8 h THR 46 Cb 1.04 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 3fy8 h THR 46 CO 0.10 0.22 0.20 0.15 0.37 0.00 0.00 175.52 176.56 3fy8 h PHE 47 N 0.85 0.97 -0.42 3.16 3.04 -0.72 -1.26 116.94 122.56 3fy8 h PHE 47 Ca 0.21 -0.09 0.08 0.00 3.98 0.00 0.00 57.97 62.15 3fy8 h PHE 47 Cb 0.06 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.26 3fy8 h PHE 47 CO 0.01 0.79 0.29 0.93 -2.02 0.00 0.00 178.31 178.31 3fy8 h GLU 48 N 0.86 0.23 -0.18 1.11 3.07 -0.78 0.76 114.58 119.66 3fy8 h GLU 48 Ca 0.20 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.94 3fy8 h GLU 48 Cb 0.27 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 3fy8 h GLU 48 CO -0.01 0.15 -0.28 0.77 -1.40 0.00 0.00 179.01 178.24 3fy8 h SER 49 N 0.24 0.56 0.87 1.42 0.02 -0.17 -3.26 113.55 113.22 3fy8 h SER 49 Ca 0.19 -0.53 -0.23 0.00 -0.84 0.00 0.00 61.79 60.39 3fy8 h SER 49 Cb 0.45 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 3fy8 h SER 49 CO -0.04 0.98 -1.19 0.16 -1.14 0.00 0.00 176.83 175.60 3fy8 h ILE 50 N 0.16 1.40 0.00 3.27 -2.65 -0.91 -3.47 117.51 115.30 3fy8 h ILE 50 Ca 0.02 -3.13 0.00 0.00 1.03 0.00 0.00 64.86 62.78 3fy8 h ILE 50 Cb 0.86 2.68 0.00 0.00 -2.05 0.00 0.00 36.82 38.31 3fy8 h ILE 50 CO 0.06 0.80 0.00 0.61 0.03 0.00 0.00 178.15 179.65 3fy8 n GLY 51 N 1.40 2.70 3.15 0.16 0.00 0.26 -4.91 105.19 107.95 3fy8 n GLY 51 Ca -0.05 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 3fy8 n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fy8 s LYS 52 N 0.00 0.90 0.52 1.61 -2.85 -1.26 -4.95 119.74 113.70 3fy8 s LYS 52 Ca 0.00 -1.41 -0.21 0.00 -1.00 0.00 0.00 55.97 53.35 3fy8 s LYS 52 Cb 0.00 0.17 -0.08 0.00 -2.06 0.00 0.00 37.83 35.86 3fy8 s LYS 52 CO 0.00 -0.22 0.85 -2.30 0.10 0.00 0.00 175.35 173.79 3fy8 n PRO 53 N -0.08 0.95 -3.19 1.78 -0.02 -1.26 -4.98 135.00 128.20 3fy8 n PRO 53 Ca -0.07 0.36 -0.39 0.00 -2.02 0.00 0.00 63.50 61.38 3fy8 n PRO 53 Cb 0.63 -1.97 -0.05 0.00 -0.02 0.00 0.00 33.50 32.08 3fy8 n PRO 53 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fy8 s LEU 54 N -0.61 4.27 0.48 2.45 1.43 -1.26 -5.06 118.68 120.38 3fy8 s LEU 54 Ca 0.69 0.95 -0.24 0.00 -1.03 0.00 0.00 54.13 54.50 3fy8 s LEU 54 Cb -0.49 -2.86 -0.08 0.00 0.03 0.00 0.00 46.19 42.80 3fy8 s LEU 54 CO 0.53 -0.08 1.38 -0.81 0.23 0.00 0.00 176.35 177.60 3fy8 n PRO 55 N 3.89 2.03 -1.02 1.29 -0.04 -1.26 -3.83 135.00 136.06 3fy8 n PRO 55 Ca -0.04 0.73 -0.01 0.00 -0.04 0.00 0.00 63.50 64.14 3fy8 n PRO 55 Cb 0.51 -2.57 -0.00 0.00 -0.04 0.00 0.00 33.50 31.40 3fy8 n PRO 55 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3fy8 n ASN 56 N -0.36 -3.36 -3.88 3.54 5.03 -1.26 -4.85 115.26 110.12 3fy8 n ASN 56 Ca 0.07 0.02 -0.13 0.00 0.87 0.00 0.00 54.58 55.41 3fy8 n ASN 56 Cb 0.42 -0.93 -0.08 0.00 -1.02 0.00 0.00 39.78 38.17 3fy8 n ASN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3fy8 s ARG 57 N -0.82 1.46 -0.00 3.52 1.70 -1.25 0.15 118.95 123.71 3fy8 s ARG 57 Ca 0.00 -1.66 -0.18 0.00 -0.47 0.00 0.00 55.73 53.42 3fy8 s ARG 57 Cb 0.00 0.34 -0.06 0.00 -0.57 0.00 0.00 34.95 34.66 3fy8 s ARG 57 CO 0.00 -0.53 0.53 0.50 -1.08 0.00 0.00 175.30 174.71 3fy8 s ARG 58 N -3.86 4.20 -0.15 3.89 3.52 0.13 -4.90 118.95 121.79 3fy8 s ARG 58 Ca 0.35 0.61 0.00 0.00 -0.13 0.00 0.00 55.73 56.57 3fy8 s ARG 58 Cb 0.04 -3.30 -0.00 0.00 -1.56 0.00 0.00 34.95 30.12 3fy8 s ARG 58 CO 0.16 0.48 -0.14 -0.80 -0.81 0.00 0.00 175.30 174.18 3fy8 s ASN 59 N -0.50 3.75 -0.09 -2.12 0.02 -1.26 -0.01 114.94 114.73 3fy8 s ASN 59 Ca 0.28 -0.44 0.02 0.00 -1.02 0.00 0.00 52.86 51.70 3fy8 s ASN 59 Cb -0.18 -1.58 0.01 0.00 0.02 0.00 0.00 41.25 39.53 3fy8 s ASN 59 CO 0.16 0.10 -0.13 -0.69 0.02 0.00 0.00 177.10 176.55 3fy8 s VAL 60 N 0.74 1.27 -0.17 1.60 1.01 0.18 -1.12 120.40 123.91 3fy8 s VAL 60 Ca -0.06 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 3fy8 s VAL 60 Cb -0.15 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 3fy8 s VAL 60 CO 0.01 0.39 -0.08 -0.69 0.00 0.00 0.00 175.10 174.73 3fy8 s VAL 61 N 0.88 3.34 -0.15 2.92 1.01 -0.07 -1.30 120.40 127.04 3fy8 s VAL 61 Ca -0.10 -0.53 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 3fy8 s VAL 61 Cb -0.15 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 3fy8 s VAL 61 CO 0.01 0.48 0.58 -0.22 0.00 0.00 0.00 175.10 175.94 3fy8 s LEU 62 N 0.81 4.21 0.03 3.92 2.96 -0.10 -0.76 118.68 129.75 3fy8 s LEU 62 Ca -0.03 0.86 -0.27 0.00 -0.22 0.00 0.00 54.13 54.47 3fy8 s LEU 62 Cb -0.15 -2.83 0.07 0.00 0.50 0.00 0.00 46.19 43.78 3fy8 s LEU 62 CO 0.01 -0.15 0.64 0.28 -1.32 0.00 0.00 176.35 175.81 3fy8 s THR 63 N 1.28 0.00 -1.23 3.68 -1.32 -0.35 -1.68 115.64 116.02 3fy8 s THR 63 Ca 0.29 -0.02 0.22 0.00 -1.21 0.00 0.00 61.69 60.97 3fy8 s THR 63 Cb -0.16 -1.00 -0.14 0.00 -1.51 0.00 0.00 72.50 69.70 3fy8 s THR 63 CO 0.12 -0.01 1.03 -1.54 -2.21 0.00 0.00 174.62 172.00 3fy8 n SER 64 N 0.42 1.14 -4.60 8.08 3.41 -1.26 -3.94 113.62 116.86 3fy8 n SER 64 Ca -0.18 -1.01 -0.43 0.00 -0.26 0.00 0.00 58.87 56.99 3fy8 n SER 64 Cb 0.60 0.77 -0.02 0.00 -0.26 0.00 0.00 64.21 65.30 3fy8 n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fy8 s ASP 65 N -2.88 6.23 0.00 4.04 3.68 -1.26 -4.86 116.67 121.62 3fy8 s ASP 65 Ca 0.11 1.03 0.31 0.00 2.13 0.00 0.00 52.55 56.13 3fy8 s ASP 65 Cb 0.17 -2.54 1.59 0.00 -1.45 0.00 0.00 42.92 40.69 3fy8 s ASP 65 CO 0.78 -1.49 2.05 0.35 0.13 0.00 0.00 175.17 177.00 3fy8 n THR 66 N 7.10 0.00 1.08 1.71 -2.24 -1.26 -2.86 114.28 117.81 3fy8 n THR 66 Ca 0.18 -0.07 0.12 0.00 -2.27 0.00 0.00 64.05 62.01 3fy8 n THR 66 Cb 0.47 -0.19 0.15 0.00 -2.10 0.00 0.00 70.33 68.66 3fy8 n THR 66 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3fy8 n SER 67 N -0.69 1.20 -4.59 3.42 7.64 -1.26 -4.87 113.62 114.47 3fy8 n SER 67 Ca 0.21 -0.96 -0.42 0.00 1.01 0.00 0.00 58.87 58.71 3fy8 n SER 67 Cb 0.20 0.43 -0.03 0.00 -1.01 0.00 0.00 64.21 63.80 3fy8 n SER 67 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3fy8 s PHE 68 N -2.69 1.21 -0.31 1.43 5.36 -1.14 -4.96 117.98 116.89 3fy8 s PHE 68 Ca 0.17 0.67 -0.02 0.00 -0.96 0.00 0.00 56.93 56.78 3fy8 s PHE 68 Cb 0.18 -3.91 0.12 0.00 -0.34 0.00 0.00 43.02 39.07 3fy8 s PHE 68 CO 0.64 -3.80 0.19 1.21 -1.46 0.00 0.00 175.22 172.00 3fy8 s ASN 69 N 8.55 2.97 -0.02 6.13 3.84 -1.26 -4.86 114.94 130.30 3fy8 s ASN 69 Ca 0.98 -1.49 -0.01 0.00 0.21 0.00 0.00 52.86 52.55 3fy8 s ASN 69 Cb -0.30 -0.19 -0.04 0.00 -0.55 0.00 0.00 41.25 40.17 3fy8 s ASN 69 CO 0.34 -0.38 0.09 -0.69 -2.79 0.00 0.00 177.10 173.67 3fy8 s VAL 70 N 1.80 4.84 -0.21 -5.21 1.01 -1.26 -5.02 120.40 116.34 3fy8 s VAL 70 Ca 0.12 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.49 3fy8 s VAL 70 Cb -0.18 -3.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 3fy8 s VAL 70 CO -0.23 0.38 2.21 1.21 0.00 0.00 0.00 175.10 178.67 3fy8 n GLU 71 N 1.28 1.97 -0.86 2.72 4.07 -1.26 -1.98 120.64 126.56 3fy8 n GLU 71 Ca -0.14 0.55 0.00 0.00 -0.06 0.00 0.00 57.16 57.51 3fy8 n GLU 71 Cb 0.53 -3.18 0.00 0.00 -0.06 0.00 0.00 31.44 28.73 3fy8 n GLU 71 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3fy8 n GLY 72 N 5.74 0.51 3.69 8.31 0.00 -1.26 -4.78 105.19 117.40 3fy8 n GLY 72 Ca 0.30 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 3fy8 n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fy8 s VAL 73 N -2.00 4.05 -0.24 1.61 1.01 -0.84 -4.54 120.40 119.45 3fy8 s VAL 73 Ca 0.00 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 3fy8 s VAL 73 Cb 0.00 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 3fy8 s VAL 73 CO 0.00 0.14 0.05 -1.81 0.00 0.00 0.00 175.10 173.48 3fy8 s ASP 74 N -2.24 5.02 0.36 3.32 -0.00 -0.28 -4.61 116.67 118.24 3fy8 s ASP 74 Ca 0.25 -0.23 -0.19 0.00 -0.00 0.00 0.00 52.55 52.39 3fy8 s ASP 74 Cb -0.12 -1.89 -0.10 0.00 -0.00 0.00 0.00 42.92 40.81 3fy8 s ASP 74 CO 0.18 -0.02 0.86 0.54 -0.00 0.00 0.00 175.17 176.72 3fy8 s VAL 75 N 1.54 4.49 0.06 -1.27 0.11 -1.26 -0.89 120.40 123.18 3fy8 s VAL 75 Ca 0.06 1.32 -0.04 0.00 -2.93 0.00 0.00 61.98 60.39 3fy8 s VAL 75 Cb -0.15 -3.67 -0.02 0.00 -1.53 0.00 0.00 36.38 31.01 3fy8 s VAL 75 CO 0.03 -0.18 0.05 0.27 -3.33 0.00 0.00 175.10 171.94 3fy8 s ILE 76 N -2.00 0.18 0.00 7.04 -4.36 0.06 -4.86 121.20 117.27 3fy8 s ILE 76 Ca 0.56 -1.52 0.00 0.00 -0.26 0.00 0.00 60.65 59.43 3fy8 s ILE 76 Cb -0.11 -1.37 0.00 0.00 1.25 0.00 0.00 42.46 42.23 3fy8 s ILE 76 CO 0.16 -0.84 0.47 1.41 0.24 0.00 0.00 174.94 176.38 3fy8 n HIS 77 N 0.16 0.00 -3.91 1.37 8.25 -1.25 -1.21 115.22 118.63 3fy8 n HIS 77 Ca -0.15 -0.06 -0.10 0.00 -0.26 0.00 0.00 57.72 57.15 3fy8 n HIS 77 Cb 0.61 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.62 3fy8 n HIS 77 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3fy8 s SER 78 N -0.11 0.12 0.32 0.41 1.04 -1.26 -4.78 113.70 109.43 3fy8 s SER 78 Ca 0.00 -0.41 0.09 0.00 0.48 0.00 0.00 55.95 56.10 3fy8 s SER 78 Cb 0.00 0.22 0.85 0.00 0.10 0.00 0.00 66.02 67.19 3fy8 s SER 78 CO 0.00 -0.46 1.74 0.40 0.98 0.00 0.00 173.24 175.91 3fy8 h ILE 79 N 3.89 0.58 0.00 -1.02 1.08 -2.00 -2.58 117.51 117.46 3fy8 h ILE 79 Ca -0.32 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 63.93 3fy8 h ILE 79 Cb 1.19 -0.10 -0.00 0.00 -3.07 0.00 0.00 36.82 34.84 3fy8 h ILE 79 CO 0.46 0.11 -0.05 -0.33 -0.69 0.00 0.00 178.15 177.66 3fy8 h GLU 80 N 0.63 0.00 0.00 2.37 4.39 -2.03 -1.56 114.58 118.37 3fy8 h GLU 80 Ca 0.63 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.33 3fy8 h GLU 80 Cb 1.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 3fy8 h GLU 80 CO -0.45 0.05 0.00 -0.44 -1.16 0.00 0.00 179.01 177.01 3fy8 h ASP 81 N 0.00 0.00 -0.24 1.42 3.32 -1.88 -2.91 116.42 116.14 3fy8 h ASP 81 Ca -0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3fy8 h ASP 81 Cb 0.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3fy8 h ASP 81 CO 0.01 0.00 -0.26 0.40 -1.72 0.00 0.00 179.24 177.67 3fy8 h ILE 82 N 0.00 1.27 0.00 0.35 2.04 -1.45 -3.16 117.51 116.56 3fy8 h ILE 82 Ca 0.00 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.49 3fy8 h ILE 82 Cb 0.67 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 3fy8 h ILE 82 CO 0.00 0.45 0.00 -1.22 0.00 0.00 0.00 178.15 177.38 3fy8 n TYR 83 N -4.10 0.00 0.58 1.37 4.01 -1.10 -2.17 117.16 115.75 3fy8 n TYR 83 Ca -0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.83 3fy8 n TYR 83 Cb 0.45 -0.31 -0.12 0.00 -0.31 0.00 0.00 39.34 39.04 3fy8 n TYR 83 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3fy8 n GLN 84 N -1.31 0.72 -1.76 -0.72 6.02 -1.19 -4.97 117.38 114.16 3fy8 n GLN 84 Ca 0.11 -0.06 -0.42 0.00 -0.01 0.00 0.00 57.00 56.62 3fy8 n GLN 84 Cb 0.20 -1.41 -0.03 0.00 1.02 0.00 0.00 30.24 30.02 3fy8 n GLN 84 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3fy8 s LEU 85 N -3.38 4.36 0.22 1.08 1.43 -0.92 -4.94 118.68 116.53 3fy8 s LEU 85 Ca 0.02 2.86 -0.32 0.00 -1.03 0.00 0.00 54.13 55.67 3fy8 s LEU 85 Cb 0.14 -3.61 -0.13 0.00 0.03 0.00 0.00 46.19 42.61 3fy8 s LEU 85 CO 0.78 -0.94 1.46 -2.65 0.23 0.00 0.00 176.35 175.24 3fy8 n PRO 86 N 3.53 2.10 0.00 1.29 -0.02 -1.26 -4.92 135.00 135.71 3fy8 n PRO 86 Ca 0.14 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 3fy8 n PRO 86 Cb 0.36 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3fy8 n PRO 86 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fy8 n GLY 87 N 2.49 0.06 3.47 -1.23 0.00 -1.26 -4.77 105.19 103.94 3fy8 n GLY 87 Ca 0.13 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 3fy8 n GLY 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fy8 s HIS 88 N 0.00 3.04 -0.23 1.61 5.65 -1.26 -3.25 115.29 120.84 3fy8 s HIS 88 Ca 0.00 -0.40 -0.08 0.00 0.25 0.00 0.00 55.06 54.83 3fy8 s HIS 88 Cb 0.00 -3.52 -0.04 0.00 -1.18 0.00 0.00 32.58 27.85 3fy8 s HIS 88 CO 0.00 -1.01 0.09 0.08 -0.65 0.00 0.00 174.74 173.25 3fy8 s VAL 89 N 2.75 4.70 -0.27 0.89 1.01 -0.54 -2.84 120.40 126.11 3fy8 s VAL 89 Ca 0.18 -0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 3fy8 s VAL 89 Cb -0.18 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 3fy8 s VAL 89 CO 0.14 0.36 0.17 -0.36 0.00 0.00 0.00 175.10 175.41 3fy8 s PHE 90 N 1.21 3.23 -0.26 5.22 0.08 0.79 -0.91 117.98 127.34 3fy8 s PHE 90 Ca 0.05 0.10 -0.29 0.00 0.12 0.00 0.00 56.93 56.91 3fy8 s PHE 90 Cb -0.14 -2.34 -0.01 0.00 -0.57 0.00 0.00 43.02 39.96 3fy8 s PHE 90 CO 0.04 -0.12 1.38 0.42 -0.10 0.00 0.00 175.22 176.84 3fy8 s ILE 91 N 1.56 4.04 -0.42 0.64 -1.09 0.26 -1.71 121.20 124.47 3fy8 s ILE 91 Ca 0.07 1.19 0.08 0.00 -2.23 0.00 0.00 60.65 59.76 3fy8 s ILE 91 Cb -0.15 -4.02 -0.09 0.00 -1.58 0.00 0.00 42.46 36.62 3fy8 s ILE 91 CO 0.09 -0.39 0.37 0.33 -1.23 0.00 0.00 174.94 174.11 3fy8 n PHE 92 N 7.70 0.00 0.00 3.97 -0.00 -0.52 -1.52 117.46 127.08 3fy8 n PHE 92 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.61 3fy8 n PHE 92 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.94 3fy8 n PHE 92 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3fy8 n GLY 93 N 1.17 4.19 0.00 7.13 0.00 -1.26 -4.95 105.19 111.47 3fy8 n GLY 93 Ca 0.02 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.46 3fy8 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fy8 n GLY 94 N -1.89 5.33 0.28 -0.02 0.00 -1.26 0.38 105.19 108.02 3fy8 n GLY 94 Ca 0.00 -1.39 0.04 0.00 0.00 0.00 0.00 46.02 44.67 3fy8 n GLY 94 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3fy8 h GLN 95 N 0.00 0.05 -0.13 1.61 4.15 -1.98 -0.44 115.11 118.38 3fy8 h GLN 95 Ca 0.00 -0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.25 3fy8 h GLN 95 Cb 0.00 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 3fy8 h GLN 95 CO 0.00 0.04 -0.61 1.79 -1.93 0.00 0.00 178.83 178.12 3fy8 h THR 96 N 0.06 1.35 -0.75 2.39 1.35 -1.94 -2.10 112.91 113.26 3fy8 h THR 96 Ca 0.41 -1.92 0.07 0.00 -0.55 0.00 0.00 66.41 64.42 3fy8 h THR 96 Cb 0.69 1.91 -0.06 0.00 -1.73 0.00 0.00 68.15 68.96 3fy8 h THR 96 CO -0.72 0.58 0.43 -0.07 -0.25 0.00 0.00 175.52 175.49 3fy8 h LEU 97 N 0.33 0.64 -0.17 3.87 -0.00 -1.42 -1.35 115.31 117.20 3fy8 h LEU 97 Ca -0.01 0.03 -0.04 0.00 -0.00 0.00 0.00 57.88 57.87 3fy8 h LEU 97 Cb 1.15 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.71 3fy8 h LEU 97 CO 0.11 0.40 -0.04 1.88 -0.00 0.00 0.00 178.44 180.78 3fy8 h TYR 98 N 0.77 0.37 -0.42 1.13 0.05 -0.64 0.15 116.97 118.38 3fy8 h TYR 98 Ca 0.35 -0.08 0.08 0.00 0.05 0.00 0.00 58.73 59.12 3fy8 h TYR 98 Cb 0.24 -0.09 -0.07 0.00 1.01 0.00 0.00 36.73 37.83 3fy8 h TYR 98 CO -0.07 0.60 0.02 0.93 -1.05 0.00 0.00 178.16 178.59 3fy8 h GLU 99 N 0.03 0.12 0.00 4.88 5.08 -1.30 0.03 114.58 123.43 3fy8 h GLU 99 Ca 0.04 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3fy8 h GLU 99 Cb 0.48 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3fy8 h GLU 99 CO 0.02 0.08 -0.30 0.93 -1.00 0.00 0.00 179.01 178.74 3fy8 h GLU 100 N 0.13 0.00 0.00 2.33 5.08 -0.91 -3.33 114.58 117.87 3fy8 h GLU 100 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3fy8 h GLU 100 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3fy8 h GLU 100 CO -0.33 0.30 -1.02 -1.33 -1.00 0.00 0.00 179.01 175.63 3fy8 n MET 101 N -3.82 1.20 0.24 2.33 2.81 0.49 -4.66 117.12 115.71 3fy8 n MET 101 Ca -0.01 -0.03 0.14 0.00 -1.81 0.00 0.00 57.70 55.98 3fy8 n MET 101 Cb 0.39 -1.33 0.40 0.00 -0.71 0.00 0.00 33.22 31.97 3fy8 n MET 101 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3fy8 h ILE 102 N 0.00 0.00 -0.32 2.02 2.10 -1.13 -0.29 117.51 119.88 3fy8 h ILE 102 Ca 0.00 -0.76 0.00 0.00 1.08 0.00 0.00 64.86 65.18 3fy8 h ILE 102 Cb 0.49 1.75 0.00 0.00 -1.09 0.00 0.00 36.82 37.97 3fy8 h ILE 102 CO 0.00 0.00 0.00 0.47 -1.08 0.00 0.00 178.15 177.54 3fy8 n ASP 103 N -3.05 2.73 -0.00 2.19 10.43 -1.26 -4.26 116.55 123.33 3fy8 n ASP 103 Ca 0.03 -1.90 0.03 0.00 2.57 0.00 0.00 54.79 55.52 3fy8 n ASP 103 Cb 0.43 -0.21 -0.05 0.00 1.84 0.00 0.00 41.12 43.13 3fy8 n ASP 103 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3fy8 n LYS 104 N 1.02 1.32 -3.14 -1.24 4.76 -0.15 -5.05 118.16 115.68 3fy8 n LYS 104 Ca 0.18 -0.04 -0.32 0.00 -2.87 0.00 0.00 58.31 55.25 3fy8 n LYS 104 Cb 0.49 -1.07 -0.06 0.00 -1.84 0.00 0.00 35.03 32.55 3fy8 n LYS 104 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3fy8 s VAL 105 N -2.24 4.72 0.14 -0.18 -7.23 -1.04 -4.98 120.40 109.59 3fy8 s VAL 105 Ca -0.01 0.85 -0.11 0.00 -1.81 0.00 0.00 61.98 60.90 3fy8 s VAL 105 Cb 0.04 -3.62 -0.05 0.00 0.56 0.00 0.00 36.38 33.31 3fy8 s VAL 105 CO 0.26 -0.21 1.46 0.44 -0.31 0.00 0.00 175.10 176.75 3fy8 h ASP 106 N 2.18 1.00 -5.14 4.85 3.32 -1.41 -3.46 116.42 117.76 3fy8 h ASP 106 Ca -0.48 -0.48 -0.01 0.00 0.02 0.00 0.00 57.03 56.09 3fy8 h ASP 106 Cb 1.17 -0.28 -0.07 0.00 0.22 0.00 0.00 39.33 40.37 3fy8 h ASP 106 CO 0.66 1.28 0.03 1.51 -1.72 0.00 0.00 179.24 180.99 3fy8 s ASP 107 N -6.85 -0.15 -0.03 6.45 3.84 -1.23 -2.41 116.67 116.28 3fy8 s ASP 107 Ca -0.11 -0.81 -0.00 0.00 -0.00 0.00 0.00 52.55 51.63 3fy8 s ASP 107 Cb 0.11 0.65 0.03 0.00 -1.38 0.00 0.00 42.92 42.33 3fy8 s ASP 107 CO 0.88 -1.24 0.03 -0.04 -0.00 0.00 0.00 175.17 174.80 3fy8 s MET 108 N -3.94 0.08 -0.54 2.11 -1.94 0.14 -2.20 119.30 113.01 3fy8 s MET 108 Ca 0.18 0.19 -0.18 0.00 -1.71 0.00 0.00 55.69 54.17 3fy8 s MET 108 Cb -0.03 -0.41 0.09 0.00 2.01 0.00 0.00 34.83 36.49 3fy8 s MET 108 CO 0.08 -0.20 0.61 0.71 -0.01 0.00 0.00 175.02 176.22 3fy8 s TYR 109 N 1.34 3.07 -0.11 -0.03 1.51 0.12 -0.16 117.35 123.10 3fy8 s TYR 109 Ca -0.06 -0.83 -0.02 0.00 -1.01 0.00 0.00 57.07 55.15 3fy8 s TYR 109 Cb -0.13 -3.70 -0.03 0.00 -0.11 0.00 0.00 41.96 37.99 3fy8 s TYR 109 CO -0.03 -1.10 -0.04 0.42 -1.11 0.00 0.00 175.55 173.69 3fy8 s ILE 110 N 2.41 3.89 -0.34 2.71 1.01 -0.66 -1.10 121.20 129.12 3fy8 s ILE 110 Ca 0.11 -0.39 -0.15 0.00 0.00 0.00 0.00 60.65 60.23 3fy8 s ILE 110 Cb -0.23 -2.65 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 3fy8 s ILE 110 CO 0.08 0.55 0.34 -0.89 0.00 0.00 0.00 174.94 175.02 3fy8 s THR 111 N -0.27 5.19 -0.45 2.92 2.01 0.11 -0.85 115.64 124.31 3fy8 s THR 111 Ca 0.04 0.01 -0.25 0.00 0.31 0.00 0.00 61.69 61.80 3fy8 s THR 111 Cb -0.13 -3.80 0.03 0.00 0.01 0.00 0.00 72.50 68.61 3fy8 s THR 111 CO 0.02 -0.07 0.91 -0.69 -0.69 0.00 0.00 174.62 174.10 3fy8 s VAL 112 N 1.96 4.50 -0.52 3.82 1.01 -0.64 -1.36 120.40 129.17 3fy8 s VAL 112 Ca 0.11 0.77 -0.28 0.00 0.00 0.00 0.00 61.98 62.57 3fy8 s VAL 112 Cb -0.17 -4.41 0.03 0.00 0.00 0.00 0.00 36.38 31.83 3fy8 s VAL 112 CO 0.11 -0.79 1.12 -0.63 0.00 0.00 0.00 175.10 174.91 3fy8 s ILE 113 N 3.69 4.18 -1.08 2.22 -1.09 0.17 -1.77 121.20 127.51 3fy8 s ILE 113 Ca 0.37 0.97 -0.11 0.00 -2.23 0.00 0.00 60.65 59.64 3fy8 s ILE 113 Cb -0.10 -4.63 -0.07 0.00 -1.58 0.00 0.00 42.46 36.08 3fy8 s ILE 113 CO 0.25 -1.13 2.25 -0.62 -1.23 0.00 0.00 174.94 174.47 3fy8 n GLU 114 N 7.96 2.37 -4.14 2.79 -0.58 -0.13 -2.66 120.64 126.25 3fy8 n GLU 114 Ca 0.09 -1.81 -0.17 0.00 -0.42 0.00 0.00 57.16 54.86 3fy8 n GLU 114 Cb 0.49 -2.71 -0.05 0.00 -0.57 0.00 0.00 31.44 28.61 3fy8 n GLU 114 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3fy8 s GLY 115 N 3.47 1.82 -0.20 0.62 0.00 -1.26 -4.56 107.32 107.20 3fy8 s GLY 115 Ca 0.50 -1.72 -0.00 0.00 0.00 0.00 0.00 44.72 43.49 3fy8 s GLY 115 CO -0.01 -1.14 -0.04 0.54 0.00 0.00 0.00 173.10 172.45 3fy8 s LYS 116 N -3.00 1.39 0.41 2.90 1.02 -1.26 -1.10 119.74 120.11 3fy8 s LYS 116 Ca 0.34 -0.70 0.08 0.00 0.02 0.00 0.00 55.97 55.70 3fy8 s LYS 116 Cb -0.00 -2.28 -0.03 0.00 -0.52 0.00 0.00 37.83 35.00 3fy8 s LYS 116 CO 0.24 -0.54 0.33 -0.06 -0.92 0.00 0.00 175.35 174.40 3fy8 s PHE 117 N 1.57 2.70 -0.14 3.18 0.08 -1.26 -5.08 117.98 119.02 3fy8 s PHE 117 Ca -0.02 -0.50 -0.24 0.00 0.12 0.00 0.00 56.93 56.29 3fy8 s PHE 117 Cb -0.17 -2.11 -0.02 0.00 -0.57 0.00 0.00 43.02 40.15 3fy8 s PHE 117 CO -0.07 -0.04 0.74 -0.98 -0.10 0.00 0.00 175.22 174.77 3fy8 s ARG 118 N -4.07 4.32 0.31 0.44 1.70 -1.26 -5.01 118.95 115.39 3fy8 s ARG 118 Ca 0.46 0.87 0.07 0.00 -0.47 0.00 0.00 55.73 56.67 3fy8 s ARG 118 Cb -0.02 -3.53 -0.06 0.00 -0.57 0.00 0.00 34.95 30.77 3fy8 s ARG 118 CO 0.27 -0.17 -0.06 0.20 -1.08 0.00 0.00 175.30 174.46 3fy8 s GLY 119 N 1.05 2.02 0.00 3.88 0.00 -1.26 -4.63 107.32 108.37 3fy8 s GLY 119 Ca 0.36 -2.01 0.00 0.00 0.00 0.00 0.00 44.72 43.07 3fy8 s GLY 119 CO 0.14 -1.92 0.59 2.09 0.00 0.00 0.00 173.10 174.00 3fy8 n ASP 120 N -0.69 1.16 -4.05 1.64 3.85 -0.50 -4.96 116.55 113.01 3fy8 n ASP 120 Ca -0.05 -1.24 -0.16 0.00 -0.71 0.00 0.00 54.79 52.63 3fy8 n ASP 120 Cb 0.64 0.00 -0.13 0.00 -1.35 0.00 0.00 41.12 40.28 3fy8 n ASP 120 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3fy8 s THR 121 N -0.24 0.63 0.06 2.12 -4.23 -1.17 -5.01 115.64 107.81 3fy8 s THR 121 Ca 0.00 -0.77 0.03 0.00 -1.18 0.00 0.00 61.69 59.76 3fy8 s THR 121 Cb 0.00 -0.62 -0.03 0.00 1.34 0.00 0.00 72.50 73.19 3fy8 s THR 121 CO 0.00 -0.12 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.51 3fy8 s PHE 122 N -0.83 0.81 0.10 3.99 0.08 -1.26 -1.72 117.98 119.14 3fy8 s PHE 122 Ca -0.03 -0.60 -0.21 0.00 0.12 0.00 0.00 56.93 56.21 3fy8 s PHE 122 Cb -0.07 -0.47 -0.07 0.00 -0.57 0.00 0.00 43.02 41.84 3fy8 s PHE 122 CO 0.00 -0.08 0.63 0.12 -0.10 0.00 0.00 175.22 175.79 3fy8 s PHE 123 N -1.97 3.83 0.26 0.36 5.36 0.29 -4.71 117.98 121.40 3fy8 s PHE 123 Ca -0.03 1.37 -0.30 0.00 -0.96 0.00 0.00 56.93 57.01 3fy8 s PHE 123 Cb -0.06 -2.57 -0.14 0.00 -0.34 0.00 0.00 43.02 39.91 3fy8 s PHE 123 CO -0.01 0.57 1.16 -2.30 -1.46 0.00 0.00 175.22 173.18 3fy8 n PRO 124 N 1.70 1.53 -1.71 10.12 -0.02 -1.26 -4.91 135.00 140.45 3fy8 n PRO 124 Ca -0.09 0.54 -0.43 0.00 -2.02 0.00 0.00 63.50 61.50 3fy8 n PRO 124 Cb 0.50 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 3fy8 n PRO 124 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3fy8 n PRO 125 N 1.19 2.35 -4.25 0.52 -0.02 -1.26 -5.02 135.00 128.51 3fy8 n PRO 125 Ca 0.11 0.83 -0.15 0.00 -2.02 0.00 0.00 63.50 62.27 3fy8 n PRO 125 Cb 0.31 -2.53 -0.10 0.00 -0.02 0.00 0.00 33.50 31.16 3fy8 n PRO 125 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3fy8 s TYR 126 N -0.24 1.36 -0.04 6.00 -0.85 -1.26 -5.17 117.35 117.14 3fy8 s TYR 126 Ca 0.64 -1.36 0.01 0.00 -0.52 0.00 0.00 57.07 55.84 3fy8 s TYR 126 Cb -0.57 -0.69 0.02 0.00 0.38 0.00 0.00 41.96 41.10 3fy8 s TYR 126 CO 0.52 -0.58 -0.05 -0.08 -1.52 0.00 0.00 175.55 173.84 3fy8 s THR 127 N -3.92 0.57 -0.56 -3.49 -1.32 -1.26 -5.01 115.64 100.64 3fy8 s THR 127 Ca 0.38 -0.15 0.23 0.00 -1.21 0.00 0.00 61.69 60.94 3fy8 s THR 127 Cb 0.06 -0.59 0.23 0.00 -1.51 0.00 0.00 72.50 70.70 3fy8 s THR 127 CO 0.15 0.23 1.68 0.49 -2.21 0.00 0.00 174.62 174.96 3fy8 n PHE 128 N 4.00 0.71 0.21 9.09 3.72 -1.26 0.02 117.46 133.94 3fy8 n PHE 128 Ca -0.25 0.27 0.18 0.00 -0.05 0.00 0.00 57.45 57.60 3fy8 n PHE 128 Cb 0.51 -0.94 0.76 0.00 -0.94 0.00 0.00 39.48 38.87 3fy8 n PHE 128 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3fy8 h GLU 129 N 0.00 0.00 0.00 -1.08 5.08 -2.02 -2.41 114.58 114.15 3fy8 h GLU 129 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fy8 h GLU 129 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3fy8 h GLU 129 CO 0.00 0.00 -1.07 -0.25 -1.00 0.00 0.00 179.01 176.69 3fy8 n ASP 130 N -3.31 0.83 -3.80 1.42 10.43 0.10 -4.88 116.55 117.34 3fy8 n ASP 130 Ca 0.03 -0.72 -0.17 0.00 2.57 0.00 0.00 54.79 56.50 3fy8 n ASP 130 Cb 0.52 1.19 -0.16 0.00 1.84 0.00 0.00 41.12 44.50 3fy8 n ASP 130 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 3fy8 s TRP 131 N -2.83 0.22 -0.13 1.24 0.52 -0.91 0.52 118.94 117.58 3fy8 s TRP 131 Ca 0.04 0.05 -0.04 0.00 0.02 0.00 0.00 56.10 56.17 3fy8 s TRP 131 Cb 0.13 -0.37 -0.03 0.00 -1.15 0.00 0.00 33.47 32.05 3fy8 s TRP 131 CO 0.74 -0.12 0.01 -2.00 0.02 0.00 0.00 176.95 175.60 3fy8 s GLU 132 N 1.10 3.44 -0.74 4.98 2.12 0.43 -4.71 118.70 125.31 3fy8 s GLU 132 Ca -0.09 -0.42 -0.26 0.00 0.36 0.00 0.00 54.97 54.57 3fy8 s GLU 132 Cb -0.13 -2.94 0.04 0.00 0.26 0.00 0.00 34.13 31.36 3fy8 s GLU 132 CO -0.02 0.47 1.21 0.08 -0.54 0.00 0.00 175.26 176.46 3fy8 s VAL 133 N -0.22 3.90 0.14 3.70 1.01 -1.26 -0.74 120.40 126.92 3fy8 s VAL 133 Ca 0.06 0.11 0.14 0.00 0.00 0.00 0.00 61.98 62.28 3fy8 s VAL 133 Cb -0.12 -4.87 0.02 0.00 0.00 0.00 0.00 36.38 31.40 3fy8 s VAL 133 CO 0.02 -1.76 1.57 0.00 0.00 0.00 0.00 175.10 174.93 3fy8 h ALA 134 N 9.88 0.83 -2.07 5.51 0.00 -1.56 -3.46 119.26 128.40 3fy8 h ALA 134 Ca -0.24 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 3fy8 h ALA 134 Cb 1.05 -0.09 -0.19 0.00 0.00 0.00 0.00 17.79 18.56 3fy8 h ALA 134 CO 1.26 0.71 0.28 -1.54 0.00 0.00 0.00 179.25 179.97 3fy8 s SER 135 N -6.60 -0.58 -0.16 0.00 1.04 -1.21 -5.00 113.70 101.19 3fy8 s SER 135 Ca 0.00 0.52 -0.04 0.00 0.48 0.00 0.00 55.95 56.91 3fy8 s SER 135 Cb 0.11 0.49 0.08 0.00 0.10 0.00 0.00 66.02 66.80 3fy8 s SER 135 CO 0.74 -0.61 0.26 -0.55 0.98 0.00 0.00 173.24 174.07 3fy8 s SER 136 N -1.46 0.63 -0.12 7.02 0.15 -1.26 -1.98 113.70 116.69 3fy8 s SER 136 Ca -0.07 0.33 -0.02 0.00 0.70 0.00 0.00 55.95 56.89 3fy8 s SER 136 Cb -0.00 0.65 0.04 0.00 -1.71 0.00 0.00 66.02 65.00 3fy8 s SER 136 CO 0.04 -0.27 -0.00 -0.69 1.20 0.00 0.00 173.24 173.52 3fy8 s VAL 137 N 2.41 0.53 0.39 4.45 1.01 -0.76 -4.98 120.40 123.45 3fy8 s VAL 137 Ca 0.04 -0.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.60 3fy8 s VAL 137 Cb -0.13 -0.77 -0.10 0.00 0.00 0.00 0.00 36.38 35.38 3fy8 s VAL 137 CO -0.10 0.14 1.39 -1.61 0.00 0.00 0.00 175.10 174.91 3fy8 s GLU 138 N 1.89 4.02 0.49 2.72 2.02 -1.26 -1.09 118.70 127.48 3fy8 s GLU 138 Ca 0.03 2.36 -0.21 0.00 0.02 0.00 0.00 54.97 57.17 3fy8 s GLU 138 Cb -0.14 -2.86 -0.07 0.00 0.10 0.00 0.00 34.13 31.16 3fy8 s GLU 138 CO -0.06 -0.53 1.10 0.20 0.02 0.00 0.00 175.26 175.99 3fy8 s GLY 139 N -0.46 2.64 0.02 -1.39 0.00 0.18 -4.85 107.32 103.46 3fy8 s GLY 139 Ca 0.55 0.76 -0.22 0.00 0.00 0.00 0.00 44.72 45.81 3fy8 s GLY 139 CO 0.56 1.14 0.65 0.54 0.00 0.00 0.00 173.10 175.99 3fy8 s LYS 140 N -3.03 4.38 0.00 2.90 1.02 -1.26 -4.68 119.74 119.06 3fy8 s LYS 140 Ca 0.67 0.85 -0.12 0.00 0.02 0.00 0.00 55.97 57.39 3fy8 s LYS 140 Cb -0.22 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 33.69 3fy8 s LYS 140 CO 0.26 0.36 0.36 -0.51 -0.92 0.00 0.00 175.35 174.90 3fy8 s LEU 141 N -0.21 4.44 0.00 3.17 1.43 -1.26 -4.91 118.68 121.34 3fy8 s LEU 141 Ca 0.33 0.85 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 3fy8 s LEU 141 Cb -0.19 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.43 3fy8 s LEU 141 CO 0.19 0.30 0.00 -0.90 0.23 0.00 0.00 176.35 176.18 3fy8 n ASP 142 N 1.63 0.00 -0.16 2.29 5.75 -0.53 -4.97 116.55 120.56 3fy8 n ASP 142 Ca -0.13 -0.85 -0.01 0.00 -0.01 0.00 0.00 54.79 53.79 3fy8 n ASP 142 Cb 0.53 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.85 3fy8 n ASP 142 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3fy8 h GLU 143 N 0.00 0.88 -0.01 0.11 4.81 -1.99 -2.61 114.58 115.77 3fy8 h GLU 143 Ca 0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3fy8 h GLU 143 Cb 0.00 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.21 3fy8 h GLU 143 CO 0.00 0.68 -0.33 1.63 -0.73 0.00 0.00 179.01 180.26 3fy8 n LYS 144 N -4.36 0.74 -3.59 1.92 5.02 -1.26 -4.44 118.16 112.20 3fy8 n LYS 144 Ca 0.06 -0.47 -0.29 0.00 -2.02 0.00 0.00 58.31 55.60 3fy8 n LYS 144 Cb 0.12 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.52 3fy8 n LYS 144 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3fy8 s ASN 145 N -2.58 3.06 0.00 4.39 0.01 -0.98 -4.46 114.94 114.38 3fy8 s ASN 145 Ca 0.22 -2.72 0.11 0.00 -0.71 0.00 0.00 52.86 49.76 3fy8 s ASN 145 Cb 0.19 -0.78 -0.01 0.00 0.41 0.00 0.00 41.25 41.06 3fy8 s ASN 145 CO 0.56 -0.24 0.67 0.35 -1.51 0.00 0.00 177.10 176.93 3fy8 n THR 146 N 3.37 0.00 -3.95 1.60 -2.24 -1.24 -1.46 114.28 110.36 3fy8 n THR 146 Ca 0.16 -0.37 -0.35 0.00 -2.27 0.00 0.00 64.05 61.21 3fy8 n THR 146 Cb 0.38 1.13 -0.10 0.00 -2.10 0.00 0.00 70.33 69.64 3fy8 n THR 146 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3fy8 s ILE 147 N -1.52 4.75 0.55 2.28 1.01 -1.26 -5.00 121.20 122.02 3fy8 s ILE 147 Ca 0.09 -0.04 -0.22 0.00 0.00 0.00 0.00 60.65 60.48 3fy8 s ILE 147 Cb 0.09 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 3fy8 s ILE 147 CO 0.30 0.43 1.36 -2.65 0.00 0.00 0.00 174.94 174.38 3fy8 n PRO 148 N 3.82 1.67 -3.54 2.79 -0.02 -1.26 -4.89 135.00 133.56 3fy8 n PRO 148 Ca -0.16 0.62 -0.16 0.00 -2.02 0.00 0.00 63.50 61.77 3fy8 n PRO 148 Cb 0.52 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 31.36 3fy8 n PRO 148 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3fy8 s HIS 149 N -1.29 -0.63 -0.09 6.00 -3.43 -1.26 -0.95 115.29 113.64 3fy8 s HIS 149 Ca 0.72 1.16 0.02 0.00 -0.80 0.00 0.00 55.06 56.16 3fy8 s HIS 149 Cb -0.41 0.40 0.02 0.00 -1.43 0.00 0.00 32.58 31.15 3fy8 s HIS 149 CO 0.49 -0.53 -0.13 0.99 -2.00 0.00 0.00 174.74 173.55 3fy8 s THR 150 N -0.95 1.29 -0.57 -5.38 2.01 -0.73 0.49 115.64 111.80 3fy8 s THR 150 Ca -0.08 -0.53 -0.28 0.00 0.31 0.00 0.00 61.69 61.11 3fy8 s THR 150 Cb -0.01 -1.19 0.03 0.00 0.01 0.00 0.00 72.50 71.34 3fy8 s THR 150 CO 0.07 0.40 1.23 -0.36 -0.69 0.00 0.00 174.62 175.27 3fy8 s PHE 151 N 0.96 2.56 -0.01 4.92 0.08 -0.25 -1.62 117.98 124.62 3fy8 s PHE 151 Ca -0.08 0.43 -0.19 0.00 0.12 0.00 0.00 56.93 57.21 3fy8 s PHE 151 Cb -0.15 -4.50 -0.05 0.00 -0.57 0.00 0.00 43.02 37.75 3fy8 s PHE 151 CO -0.00 -1.65 0.54 -0.51 -0.10 0.00 0.00 175.22 173.51 3fy8 s LEU 152 N 5.11 4.43 -0.24 -0.37 1.43 -0.03 -1.82 118.68 127.19 3fy8 s LEU 152 Ca 0.45 1.10 -0.00 0.00 -1.03 0.00 0.00 54.13 54.64 3fy8 s LEU 152 Cb -0.08 -2.83 0.03 0.00 0.03 0.00 0.00 46.19 43.34 3fy8 s LEU 152 CO 0.26 0.16 -0.09 -2.28 0.23 0.00 0.00 176.35 174.62 3fy8 s HIS 153 N -0.38 3.06 -0.18 0.29 5.65 -0.84 -1.66 115.29 121.23 3fy8 s HIS 153 Ca 0.29 -1.73 -0.05 0.00 0.25 0.00 0.00 55.06 53.82 3fy8 s HIS 153 Cb -0.18 -2.01 -0.03 0.00 -1.18 0.00 0.00 32.58 29.18 3fy8 s HIS 153 CO 0.16 -0.77 0.00 -0.51 -0.65 0.00 0.00 174.74 172.97 3fy8 s LEU 154 N 1.27 3.40 -0.08 8.88 1.43 0.78 -1.27 118.68 133.09 3fy8 s LEU 154 Ca -0.01 -0.10 -0.05 0.00 -1.03 0.00 0.00 54.13 52.94 3fy8 s LEU 154 Cb -0.17 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 3fy8 s LEU 154 CO -0.06 0.13 0.13 -0.63 0.23 0.00 0.00 176.35 176.15 3fy8 s ILE 155 N 0.61 5.26 0.13 -0.59 1.01 0.08 -0.68 121.20 127.02 3fy8 s ILE 155 Ca -0.00 0.01 -0.31 0.00 0.00 0.00 0.00 60.65 60.35 3fy8 s ILE 155 Cb -0.14 -3.33 -0.09 0.00 0.01 0.00 0.00 42.46 38.91 3fy8 s ILE 155 CO 0.02 0.53 1.43 -0.60 0.00 0.00 0.00 174.94 176.32 3fy8 s ARG 156 N -1.28 4.30 0.00 2.79 3.52 -1.01 0.16 118.95 127.43 3fy8 s ARG 156 Ca 0.18 2.15 0.27 0.00 -0.13 0.00 0.00 55.73 58.20 3fy8 s ARG 156 Cb -0.12 -3.22 1.63 0.00 -1.56 0.00 0.00 34.95 31.68 3fy8 s ARG 156 CO 0.08 -0.47 1.97 1.63 -0.81 0.00 0.00 175.30 177.71