#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fiq s HIS 2 N 0.00 3.63 0.28 1.57 4.02 -1.26 -5.07 115.29 118.46 3fiq s HIS 2 Ca 0.00 0.70 0.06 0.00 1.02 0.00 0.00 55.06 56.85 3fiq s HIS 2 Cb 0.00 -2.08 -0.03 0.00 -1.02 0.00 0.00 32.58 29.45 3fiq s HIS 2 CO 0.00 0.65 0.31 -1.21 1.02 0.00 0.00 174.74 175.52 3fiq s GLU 3 N -1.35 3.10 -0.66 1.40 2.02 -1.26 -5.06 118.70 116.88 3fiq s GLU 3 Ca 0.23 -0.99 -0.05 0.00 0.02 0.00 0.00 54.97 54.18 3fiq s GLU 3 Cb -0.14 -2.70 0.17 0.00 0.10 0.00 0.00 34.13 31.56 3fiq s GLU 3 CO 0.12 0.30 0.50 -0.80 0.02 0.00 0.00 175.26 175.40 3fiq s ASN 4 N -3.97 5.55 0.47 -0.19 0.01 -1.26 -4.33 114.94 111.23 3fiq s ASN 4 Ca 0.37 -2.80 -0.20 0.00 -0.71 0.00 0.00 52.86 49.52 3fiq s ASN 4 Cb -0.08 -1.93 -0.09 0.00 0.41 0.00 0.00 41.25 39.56 3fiq s ASN 4 CO 0.28 -0.42 1.01 -0.76 -1.51 0.00 0.00 177.10 175.69 3fiq s LEU 5 N 0.02 3.85 0.35 0.60 1.43 -0.36 -4.77 118.68 119.80 3fiq s LEU 5 Ca 0.17 1.83 -0.26 0.00 -1.03 0.00 0.00 54.13 54.83 3fiq s LEU 5 Cb -0.18 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.39 3fiq s LEU 5 CO -0.04 -0.64 1.04 -1.81 0.23 0.00 0.00 176.35 175.12 3fiq s ASP 6 N -2.13 7.03 0.12 2.29 1.01 -1.26 -4.55 116.67 119.18 3fiq s ASP 6 Ca 0.65 2.06 0.05 0.00 0.71 0.00 0.00 52.55 56.02 3fiq s ASP 6 Cb -0.13 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.16 3fiq s ASP 6 CO 0.19 -0.30 -0.12 0.27 0.21 0.00 0.00 175.17 175.42 3fiq s ILE 7 N -1.49 1.17 0.21 0.77 -4.36 -1.26 -5.09 121.20 111.14 3fiq s ILE 7 Ca 0.52 -1.79 0.10 0.00 -0.26 0.00 0.00 60.65 59.22 3fiq s ILE 7 Cb -0.24 -1.57 -0.04 0.00 1.25 0.00 0.00 42.46 41.86 3fiq s ILE 7 CO 0.31 -0.55 -0.15 -0.94 0.24 0.00 0.00 174.94 173.85 3fiq s SER 8 N -2.66 3.93 0.25 4.36 1.04 -1.26 -4.26 113.70 115.11 3fiq s SER 8 Ca 0.10 -0.75 -0.02 0.00 0.48 0.00 0.00 55.95 55.76 3fiq s SER 8 Cb -0.02 -0.53 0.49 0.00 0.10 0.00 0.00 66.02 66.06 3fiq s SER 8 CO 0.01 0.09 1.76 -0.65 0.98 0.00 0.00 173.24 175.43 3fiq h PRO 9 N 2.78 0.58 -0.46 4.02 0.11 -1.90 -1.80 132.00 135.33 3fiq h PRO 9 Ca -0.45 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.63 3fiq h PRO 9 Cb 1.22 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3fiq h PRO 9 CO 0.54 0.39 0.31 0.66 -0.21 0.00 0.00 178.00 179.68 3fiq h SER 10 N 0.60 0.51 0.09 -2.05 4.64 -1.96 -0.03 113.55 115.36 3fiq h SER 10 Ca 0.44 -0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 61.54 3fiq h SER 10 Cb 0.59 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3fiq h SER 10 CO -0.35 0.37 -0.78 -0.33 -0.87 0.00 0.00 176.83 174.87 3fiq h GLU 11 N 0.60 0.58 0.02 4.77 5.08 -1.77 -3.40 114.58 120.46 3fiq h GLU 11 Ca 0.17 -0.49 -0.40 0.00 -1.00 0.00 0.00 59.36 57.65 3fiq h GLU 11 Cb -0.04 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 3fiq h GLU 11 CO -0.04 1.11 -2.33 0.28 -1.00 0.00 0.00 179.01 177.03 3fiq n VAL 12 N -3.87 1.55 -1.87 3.13 0.31 -0.76 -4.96 118.33 111.86 3fiq n VAL 12 Ca -0.06 -0.49 -0.42 0.00 -0.01 0.00 0.00 64.34 63.36 3fiq n VAL 12 Cb 0.74 -1.65 -0.03 0.00 -0.91 0.00 0.00 33.84 31.99 3fiq n VAL 12 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3fiq s ASN 13 N -6.90 6.56 0.00 4.52 -0.87 -0.06 -4.67 114.94 113.52 3fiq s ASN 13 Ca -0.34 2.52 0.00 0.00 -1.57 0.00 0.00 52.86 53.47 3fiq s ASN 13 Cb 0.10 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.78 3fiq s ASN 13 CO 0.60 -0.93 0.00 0.61 -2.57 0.00 0.00 177.10 174.80 3fiq n GLY 14 N 4.13 -0.18 3.82 0.66 0.00 -0.77 -4.99 105.19 107.85 3fiq n GLY 14 Ca 0.17 -1.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.18 3fiq n GLY 14 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fiq s ASP 15 N -2.80 7.04 0.01 1.61 1.01 -1.26 -1.48 116.67 120.80 3fiq s ASP 15 Ca 0.00 1.36 -0.05 0.00 0.71 0.00 0.00 52.55 54.57 3fiq s ASP 15 Cb 0.00 -2.40 -0.01 0.00 1.01 0.00 0.00 42.92 41.53 3fiq s ASP 15 CO 0.00 0.08 0.09 0.26 0.21 0.00 0.00 175.17 175.80 3fiq s TRP 16 N -1.46 0.12 0.23 4.23 0.52 -0.96 -4.84 118.94 116.79 3fiq s TRP 16 Ca 0.40 -0.28 0.11 0.00 0.02 0.00 0.00 56.10 56.36 3fiq s TRP 16 Cb -0.17 -0.10 -0.05 0.00 -1.15 0.00 0.00 33.47 32.01 3fiq s TRP 16 CO 0.21 -0.27 -0.20 -0.98 0.02 0.00 0.00 176.95 175.73 3fiq s ARG 17 N -1.53 1.67 -0.22 4.98 1.70 -0.30 -3.07 118.95 122.19 3fiq s ARG 17 Ca -0.14 -1.60 -0.24 0.00 -0.47 0.00 0.00 55.73 53.28 3fiq s ARG 17 Cb -0.08 -1.86 -0.01 0.00 -0.57 0.00 0.00 34.95 32.43 3fiq s ARG 17 CO 0.00 0.37 0.79 0.99 -1.08 0.00 0.00 175.30 176.38 3fiq s THR 18 N -2.04 4.88 -0.23 4.99 2.01 -1.26 -0.19 115.64 123.81 3fiq s THR 18 Ca 0.25 1.51 -0.14 0.00 0.31 0.00 0.00 61.69 63.62 3fiq s THR 18 Cb -0.07 -4.09 -0.17 0.00 0.01 0.00 0.00 72.50 68.18 3fiq s THR 18 CO 0.13 -0.01 -0.01 0.18 -0.69 0.00 0.00 174.62 174.22 3fiq n LEU 19 N 5.63 2.13 -3.92 4.42 4.77 0.52 -4.63 117.00 125.91 3fiq n LEU 19 Ca 0.04 0.30 -0.10 0.00 -0.03 0.00 0.00 56.01 56.22 3fiq n LEU 19 Cb 0.48 -0.93 -0.11 0.00 -2.33 0.00 0.00 43.42 40.53 3fiq n LEU 19 CO 0.47 0.54 -0.30 -0.31 -1.33 0.00 0.00 177.39 176.45 3fiq s TYR 20 N -2.46 0.13 -0.04 -1.77 2.02 -1.22 -1.37 117.35 112.65 3fiq s TYR 20 Ca -0.32 -0.27 0.02 0.00 -0.37 0.00 0.00 57.07 56.13 3fiq s TYR 20 Cb 0.09 -0.10 0.01 0.00 -0.40 0.00 0.00 41.96 41.56 3fiq s TYR 20 CO 0.58 -0.17 -0.07 0.42 -1.57 0.00 0.00 175.55 174.74 3fiq s ILE 21 N -1.08 0.68 -0.01 2.71 1.01 -0.65 -0.88 121.20 122.99 3fiq s ILE 21 Ca -0.12 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.33 3fiq s ILE 21 Cb -0.07 -0.65 -0.01 0.00 0.01 0.00 0.00 42.46 41.74 3fiq s ILE 21 CO -0.00 0.24 -0.15 0.54 0.00 0.00 0.00 174.94 175.56 3fiq s VAL 22 N 0.55 1.20 0.14 2.92 0.11 0.20 -0.40 120.40 125.11 3fiq s VAL 22 Ca -0.08 -0.68 -0.10 0.00 -2.93 0.00 0.00 61.98 58.19 3fiq s VAL 22 Cb -0.12 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.73 3fiq s VAL 22 CO 0.01 0.32 0.28 0.00 -3.33 0.00 0.00 175.10 172.37 3fiq s ALA 23 N -0.39 -0.21 -0.48 1.54 0.00 -1.26 -1.07 121.76 119.89 3fiq s ALA 23 Ca 0.06 -0.69 0.24 0.00 0.00 0.00 0.00 51.96 51.57 3fiq s ALA 23 Cb -0.06 0.72 0.37 0.00 0.00 0.00 0.00 23.12 24.15 3fiq s ALA 23 CO -0.00 -0.61 1.49 0.38 0.00 0.00 0.00 175.76 177.01 3fiq h ASP 24 N 2.58 0.00 -4.14 0.00 3.04 -1.72 -3.37 116.42 112.80 3fiq h ASP 24 Ca -0.32 -0.03 -0.68 0.00 -3.24 0.00 0.00 57.03 52.76 3fiq h ASP 24 Cb 1.22 0.00 -0.37 0.00 -1.04 0.00 0.00 39.33 39.14 3fiq h ASP 24 CO 0.50 0.01 -0.49 0.20 -2.04 0.00 0.00 179.24 177.43 3fiq s ASN 25 N -5.43 4.90 0.49 4.15 0.02 -1.26 -4.92 114.94 112.90 3fiq s ASN 25 Ca 0.06 -2.80 0.15 0.00 -1.02 0.00 0.00 52.86 49.24 3fiq s ASN 25 Cb 0.09 -1.77 1.17 0.00 0.02 0.00 0.00 41.25 40.76 3fiq s ASN 25 CO 0.69 -0.34 2.11 1.62 0.02 0.00 0.00 177.10 181.20 3fiq h VAL 26 N 5.51 1.04 0.00 1.60 3.04 -1.94 -1.69 116.25 123.82 3fiq h VAL 26 Ca -0.05 -0.15 -0.01 0.00 -1.01 0.00 0.00 66.70 65.48 3fiq h VAL 26 Cb 0.94 1.02 -0.00 0.00 -2.01 0.00 0.00 31.29 31.25 3fiq h VAL 26 CO 0.69 0.05 -0.05 1.05 -1.01 0.00 0.00 177.57 178.30 3fiq h GLU 27 N 0.06 0.00 0.00 4.17 9.09 -1.93 0.03 114.58 126.00 3fiq h GLU 27 Ca 0.01 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.39 3fiq h GLU 27 Cb 0.06 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.16 3fiq h GLU 27 CO 0.00 0.05 -0.15 0.87 0.05 0.00 0.00 179.01 179.83 3fiq h LYS 28 N 0.00 0.00 0.00 1.06 1.79 -1.68 -3.33 116.57 114.41 3fiq h LYS 28 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3fiq h LYS 28 Cb 0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 3fiq h LYS 28 CO 0.01 0.15 0.00 1.33 -1.08 0.00 0.00 179.45 179.85 3fiq n VAL 29 N -3.30 0.00 -1.31 0.50 0.24 -0.53 -0.75 118.33 113.17 3fiq n VAL 29 Ca 0.00 -0.44 -0.29 0.00 -2.04 0.00 0.00 64.34 61.56 3fiq n VAL 29 Cb 0.39 1.01 0.13 0.00 -1.47 0.00 0.00 33.84 33.90 3fiq n VAL 29 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fiq s ALA 30 N -0.80 1.63 0.05 2.33 0.00 -0.11 -4.55 121.76 120.31 3fiq s ALA 30 Ca 0.00 -0.20 -0.37 0.00 0.00 0.00 0.00 51.96 51.39 3fiq s ALA 30 Cb 0.00 -3.14 -0.19 0.00 0.00 0.00 0.00 23.12 19.79 3fiq s ALA 30 CO 0.00 -2.29 0.96 -1.91 0.00 0.00 0.00 175.76 172.53 3fiq n GLU 31 N -3.82 0.08 0.00 0.00 4.07 -1.26 -0.39 120.64 119.32 3fiq n GLU 31 Ca 0.07 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 3fiq n GLU 31 Cb 0.56 -1.42 0.00 0.00 -0.06 0.00 0.00 31.44 30.52 3fiq n GLU 31 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3fiq n GLY 32 N 1.66 2.50 3.78 8.31 0.00 -1.26 -5.03 105.19 115.16 3fiq n GLY 32 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3fiq n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fiq s GLY 33 N -1.89 2.69 0.50 -0.02 0.00 0.48 -4.82 107.32 104.27 3fiq s GLY 33 Ca 0.00 0.73 0.32 0.00 0.00 0.00 0.00 44.72 45.76 3fiq s GLY 33 CO 0.00 1.14 1.92 1.48 0.00 0.00 0.00 173.10 177.64 3fiq h SER 34 N 2.18 0.00 -0.57 1.64 4.64 -1.79 -2.89 113.55 116.76 3fiq h SER 34 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3fiq h SER 34 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3fiq h SER 34 CO 0.61 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.75 3fiq n LEU 35 N -2.98 3.19 -4.18 5.97 4.77 0.07 -4.72 117.00 119.11 3fiq n LEU 35 Ca 0.01 -1.57 -0.43 0.00 -0.03 0.00 0.00 56.01 53.99 3fiq n LEU 35 Cb 0.32 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3fiq n LEU 35 CO 0.27 0.78 1.87 -1.14 -1.33 0.00 0.00 177.39 177.84 3fiq n ARG 36 N 1.25 3.35 -3.29 3.23 0.63 -1.09 -4.80 116.66 115.93 3fiq n ARG 36 Ca 0.20 -3.46 -0.39 0.00 -0.92 0.00 0.00 57.85 53.27 3fiq n ARG 36 Cb 0.51 -3.12 -0.08 0.00 0.45 0.00 0.00 32.46 30.22 3fiq n ARG 36 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3fiq s ALA 37 N 1.89 3.58 -0.63 5.13 0.00 -1.26 -4.51 121.76 125.94 3fiq s ALA 37 Ca 0.44 -0.62 -0.19 0.00 0.00 0.00 0.00 51.96 51.60 3fiq s ALA 37 Cb 0.05 -2.81 0.11 0.00 0.00 0.00 0.00 23.12 20.47 3fiq s ALA 37 CO 0.00 -0.63 0.75 0.71 0.00 0.00 0.00 175.76 176.59 3fiq s TYR 38 N 2.05 3.04 0.56 0.00 1.51 -0.06 -4.74 117.35 119.72 3fiq s TYR 38 Ca 0.20 -1.04 -0.20 0.00 -1.01 0.00 0.00 57.07 55.01 3fiq s TYR 38 Cb -0.16 -4.04 -0.04 0.00 -0.11 0.00 0.00 41.96 37.62 3fiq s TYR 38 CO 0.09 -1.31 1.27 -0.06 -1.11 0.00 0.00 175.55 174.43 3fiq s PHE 39 N 2.59 2.38 -0.04 2.71 0.40 -1.26 -0.88 117.98 123.87 3fiq s PHE 39 Ca 0.14 1.46 -0.00 0.00 -0.60 0.00 0.00 56.93 57.93 3fiq s PHE 39 Cb -0.22 -3.61 -0.02 0.00 0.51 0.00 0.00 43.02 39.67 3fiq s PHE 39 CO 0.04 -2.46 -0.04 1.04 0.70 0.00 0.00 175.22 174.50 3fiq n GLN 40 N -1.26 0.10 -3.53 0.44 6.02 0.22 -4.15 117.38 115.22 3fiq n GLN 40 Ca 0.12 0.03 -0.17 0.00 -0.01 0.00 0.00 57.00 56.97 3fiq n GLN 40 Cb 0.47 -0.97 -0.06 0.00 1.02 0.00 0.00 30.24 30.71 3fiq n GLN 40 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3fiq s HIS 41 N -2.08 -0.60 0.03 1.08 5.04 -1.08 -2.25 115.29 115.44 3fiq s HIS 41 Ca -0.05 0.94 0.03 0.00 -1.54 0.00 0.00 55.06 54.44 3fiq s HIS 41 Cb 0.02 0.40 -0.02 0.00 0.04 0.00 0.00 32.58 33.02 3fiq s HIS 41 CO 0.09 -0.62 -0.10 -1.64 -2.34 0.00 0.00 174.74 170.12 3fiq s MET 42 N -1.56 0.68 -0.13 2.88 -1.94 -0.55 -1.21 119.30 117.47 3fiq s MET 42 Ca -0.09 -0.66 -0.06 0.00 -1.71 0.00 0.00 55.69 53.16 3fiq s MET 42 Cb -0.01 -0.60 0.06 0.00 2.01 0.00 0.00 34.83 36.29 3fiq s MET 42 CO 0.06 0.14 0.29 -2.00 -0.01 0.00 0.00 175.02 173.51 3fiq s GLU 43 N -1.14 0.23 0.20 2.03 2.12 0.15 -1.84 118.70 120.46 3fiq s GLU 43 Ca -0.03 0.67 -0.09 0.00 0.36 0.00 0.00 54.97 55.89 3fiq s GLU 43 Cb -0.08 -0.05 -0.07 0.00 0.26 0.00 0.00 34.13 34.20 3fiq s GLU 43 CO 0.01 -0.20 0.51 0.00 -0.54 0.00 0.00 175.26 175.03 3fiq n GLY 45 N -0.03 -0.80 3.68 0.00 0.00 -0.41 -4.86 105.19 102.76 3fiq n GLY 45 Ca -0.01 -1.69 -0.49 0.00 0.00 0.00 0.00 46.02 43.83 3fiq n GLY 45 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3fiq n ASP 46 N -2.10 3.14 -1.82 1.61 2.03 -1.26 -1.01 116.55 117.14 3fiq n ASP 46 Ca 0.00 1.02 -0.20 0.00 0.52 0.00 0.00 54.79 56.13 3fiq n ASP 46 Cb 0.00 -1.35 -0.06 0.00 -0.72 0.00 0.00 41.12 38.99 3fiq n ASP 46 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3fiq n GLU 47 N 5.44 -1.53 -2.75 -0.67 1.02 -1.26 -0.95 120.64 119.95 3fiq n GLU 47 Ca 0.21 1.11 -0.18 0.00 -0.02 0.00 0.00 57.16 58.28 3fiq n GLU 47 Cb 0.27 -5.56 0.00 0.00 -0.02 0.00 0.00 31.44 26.13 3fiq n GLU 47 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fiq h GLN 49 N -0.47 0.00 -5.90 0.00 4.20 -1.21 -3.40 115.11 108.32 3fiq h GLN 49 Ca -0.40 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 57.68 3fiq h GLN 49 Cb 1.29 0.00 -0.31 0.00 0.30 0.00 0.00 27.48 28.76 3fiq h GLN 49 CO 0.47 0.13 -0.86 -1.21 -0.67 0.00 0.00 178.83 176.68 3fiq s GLU 50 N -4.32 2.01 -0.21 1.46 2.02 -1.26 -0.71 118.70 117.69 3fiq s GLU 50 Ca -0.03 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.19 3fiq s GLU 50 Cb 0.14 -1.81 0.05 0.00 0.10 0.00 0.00 34.13 32.61 3fiq s GLU 50 CO 0.61 0.39 -0.08 -1.17 0.02 0.00 0.00 175.26 175.02 3fiq s LEU 51 N -0.27 2.45 -0.26 1.80 2.96 -0.01 -1.29 118.68 124.07 3fiq s LEU 51 Ca 0.02 -1.02 -0.14 0.00 -0.22 0.00 0.00 54.13 52.76 3fiq s LEU 51 Cb -0.11 -1.23 -0.04 0.00 0.50 0.00 0.00 46.19 45.32 3fiq s LEU 51 CO 0.01 -0.18 0.35 -0.75 -1.32 0.00 0.00 176.35 174.46 3fiq s LYS 52 N 1.38 4.04 -0.10 1.98 2.20 0.67 -0.16 119.74 129.76 3fiq s LYS 52 Ca -0.03 0.01 0.04 0.00 -0.36 0.00 0.00 55.97 55.63 3fiq s LYS 52 Cb -0.17 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.52 3fiq s LYS 52 CO -0.07 -0.20 -0.23 0.42 -0.36 0.00 0.00 175.35 174.90 3fiq s ILE 53 N 1.84 1.99 -0.18 5.43 1.01 0.27 -0.67 121.20 130.88 3fiq s ILE 53 Ca 0.14 -0.98 -0.07 0.00 0.00 0.00 0.00 60.65 59.74 3fiq s ILE 53 Cb -0.15 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 3fiq s ILE 53 CO 0.09 0.55 0.06 -0.63 0.00 0.00 0.00 174.94 175.00 3fiq s ILE 54 N 0.34 4.70 0.08 2.92 1.01 -0.35 -1.35 121.20 128.55 3fiq s ILE 54 Ca -0.18 -0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.35 3fiq s ILE 54 Cb -0.18 -3.12 -0.02 0.00 0.01 0.00 0.00 42.46 39.16 3fiq s ILE 54 CO 0.08 0.45 0.12 0.72 0.00 0.00 0.00 174.94 176.32 3fiq s PHE 55 N 0.45 0.32 0.15 3.97 -0.71 -0.42 -0.61 117.98 121.13 3fiq s PHE 55 Ca 0.03 -0.78 0.06 0.00 -1.04 0.00 0.00 56.93 55.20 3fiq s PHE 55 Cb -0.13 -0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.46 3fiq s PHE 55 CO 0.01 -0.51 0.02 -0.80 -1.34 0.00 0.00 175.22 172.61 3fiq s ASN 56 N -2.90 4.98 -0.04 1.98 0.01 -0.06 -0.94 114.94 117.97 3fiq s ASN 56 Ca 0.07 -0.28 -0.06 0.00 -0.71 0.00 0.00 52.86 51.88 3fiq s ASN 56 Cb 0.06 -1.14 0.01 0.00 0.41 0.00 0.00 41.25 40.58 3fiq s ASN 56 CO -0.09 0.11 0.15 0.54 -1.51 0.00 0.00 177.10 176.30 3fiq s VAL 57 N -1.60 0.03 -0.36 1.60 0.11 -0.09 -0.88 120.40 119.21 3fiq s VAL 57 Ca 0.27 -0.22 -0.21 0.00 -2.93 0.00 0.00 61.98 58.90 3fiq s VAL 57 Cb -0.10 -0.29 0.00 0.00 -1.53 0.00 0.00 36.38 34.46 3fiq s VAL 57 CO 0.19 -0.12 0.65 -0.75 -3.33 0.00 0.00 175.10 171.74 3fiq s LYS 58 N -0.38 3.68 -0.07 1.54 2.20 -1.26 -0.63 119.74 124.82 3fiq s LYS 58 Ca -0.05 0.07 0.02 0.00 -0.36 0.00 0.00 55.97 55.66 3fiq s LYS 58 Cb -0.03 -3.81 0.01 0.00 -1.51 0.00 0.00 37.83 32.49 3fiq s LYS 58 CO 0.01 -0.75 -0.13 -0.51 -0.36 0.00 0.00 175.35 173.61 3fiq s LEU 59 N 2.75 1.66 -1.68 5.43 1.43 -0.53 -4.29 118.68 123.46 3fiq s LEU 59 Ca 0.25 -0.32 -0.17 0.00 -1.03 0.00 0.00 54.13 52.86 3fiq s LEU 59 Cb -0.14 -0.87 0.14 0.00 0.03 0.00 0.00 46.19 45.34 3fiq s LEU 59 CO 0.15 0.03 0.73 0.47 0.23 0.00 0.00 176.35 177.97 3fiq n ASP 60 N 3.86 -2.90 0.00 2.29 8.00 -1.26 -2.47 116.55 124.07 3fiq n ASP 60 Ca -0.22 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.26 3fiq n ASP 60 Cb 0.52 -2.74 0.00 0.00 -0.02 0.00 0.00 41.12 38.88 3fiq n ASP 60 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3fiq n SER 61 N -2.69 -0.12 -4.38 -2.24 7.64 -1.26 -5.05 113.62 105.52 3fiq n SER 61 Ca 0.03 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.65 3fiq n SER 61 Cb 0.51 -0.02 -0.12 0.00 -1.01 0.00 0.00 64.21 63.57 3fiq n SER 61 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 3fiq s GLU 62 N -0.29 1.38 -0.14 1.43 -1.05 -1.03 -5.09 118.70 113.91 3fiq s GLU 62 Ca 0.00 -1.39 -0.29 0.00 -0.15 0.00 0.00 54.97 53.14 3fiq s GLU 62 Cb 0.00 -1.72 -0.01 0.00 -0.44 0.00 0.00 34.13 31.96 3fiq s GLU 62 CO 0.00 0.39 0.97 0.00 0.95 0.00 0.00 175.26 177.57 3fiq s GLN 64 N 2.20 2.88 -0.04 0.00 -0.21 0.20 -4.93 119.66 119.75 3fiq s GLN 64 Ca 0.46 -0.88 -0.13 0.00 0.02 0.00 0.00 55.36 54.83 3fiq s GLN 64 Cb -0.17 -2.26 -0.05 0.00 1.00 0.00 0.00 33.01 31.52 3fiq s GLN 64 CO 0.15 0.25 0.33 0.99 -2.12 0.00 0.00 175.29 174.89 3fiq s THR 65 N 0.16 5.18 0.07 -0.19 2.01 -1.26 -0.91 115.64 120.71 3fiq s THR 65 Ca -0.13 0.65 0.05 0.00 0.31 0.00 0.00 61.69 62.56 3fiq s THR 65 Cb -0.16 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 3fiq s THR 65 CO 0.07 0.58 -0.14 -1.00 -0.69 0.00 0.00 174.62 173.44 3fiq s HIS 66 N -0.95 1.18 -0.09 4.92 3.76 -0.11 -5.01 115.29 118.98 3fiq s HIS 66 Ca 0.21 -0.48 0.04 0.00 -0.15 0.00 0.00 55.06 54.68 3fiq s HIS 66 Cb -0.15 -0.66 0.00 0.00 1.11 0.00 0.00 32.58 32.88 3fiq s HIS 66 CO 0.10 0.05 -0.21 0.99 -0.85 0.00 0.00 174.74 174.82 3fiq s THR 67 N -1.39 1.87 0.13 1.30 2.01 -1.26 -1.30 115.64 117.00 3fiq s THR 67 Ca -0.02 -0.91 0.08 0.00 0.31 0.00 0.00 61.69 61.16 3fiq s THR 67 Cb -0.09 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 3fiq s THR 67 CO 0.02 0.52 -0.19 0.68 -0.69 0.00 0.00 174.62 174.95 3fiq s VAL 68 N 0.43 1.75 -0.12 3.82 -7.23 -0.46 -5.00 120.40 113.58 3fiq s VAL 68 Ca -0.18 -1.73 0.03 0.00 -1.81 0.00 0.00 61.98 58.30 3fiq s VAL 68 Cb -0.17 -1.69 0.01 0.00 0.56 0.00 0.00 36.38 35.08 3fiq s VAL 68 CO 0.08 -0.20 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.76 3fiq s VAL 69 N -1.62 1.98 -0.06 1.32 1.01 -1.26 -0.56 120.40 121.20 3fiq s VAL 69 Ca 0.11 -0.94 -0.19 0.00 0.00 0.00 0.00 61.98 60.95 3fiq s VAL 69 Cb -0.08 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 3fiq s VAL 69 CO 0.05 0.54 0.54 -0.83 0.00 0.00 0.00 175.10 175.40 3fiq s GLY 70 N 0.68 2.51 -0.21 4.51 0.00 0.77 -4.54 107.32 111.04 3fiq s GLY 70 Ca -0.11 -0.07 -0.10 0.00 0.00 0.00 0.00 44.72 44.44 3fiq s GLY 70 CO 0.02 0.78 0.14 1.20 0.00 0.00 0.00 173.10 175.24 3fiq s GLN 71 N 0.26 4.15 0.13 2.90 -0.21 -0.50 -0.83 119.66 125.56 3fiq s GLN 71 Ca 0.29 -0.24 -0.30 0.00 0.02 0.00 0.00 55.36 55.13 3fiq s GLN 71 Cb -0.17 -3.45 -0.06 0.00 1.00 0.00 0.00 33.01 30.33 3fiq s GLN 71 CO 0.14 0.23 1.05 0.21 -2.12 0.00 0.00 175.29 174.80 3fiq s LYS 72 N 0.57 4.62 0.46 2.91 2.20 0.12 -1.45 119.74 129.17 3fiq s LYS 72 Ca 0.08 1.61 0.07 0.00 -0.36 0.00 0.00 55.97 57.36 3fiq s LYS 72 Cb -0.12 -3.33 0.02 0.00 -1.51 0.00 0.00 37.83 32.89 3fiq s LYS 72 CO -0.00 0.09 0.63 -1.01 -0.36 0.00 0.00 175.35 174.71 3fiq s HIS 73 N 0.03 2.71 0.45 4.03 3.76 0.79 -4.98 115.29 122.08 3fiq s HIS 73 Ca 0.49 -0.34 0.16 0.00 -0.15 0.00 0.00 55.06 55.23 3fiq s HIS 73 Cb -0.27 -2.46 1.10 0.00 1.11 0.00 0.00 32.58 32.06 3fiq s HIS 73 CO 0.32 -0.59 1.96 0.93 -0.85 0.00 0.00 174.74 176.52 3fiq h GLU 74 N 0.47 0.33 -0.00 1.40 5.08 -1.97 -1.18 114.58 118.71 3fiq h GLU 74 Ca -0.40 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3fiq h GLU 74 Cb 1.28 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3fiq h GLU 74 CO 0.46 0.22 -0.01 -0.40 -1.00 0.00 0.00 179.01 178.28 3fiq n ASP 75 N -4.46 0.36 0.00 1.42 5.75 -1.26 -4.92 116.55 113.45 3fiq n ASP 75 Ca 0.11 -1.05 0.00 0.00 -0.01 0.00 0.00 54.79 53.85 3fiq n ASP 75 Cb 0.46 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 3fiq n ASP 75 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fiq n GLY 76 N 1.07 0.38 3.88 6.12 0.00 -0.45 -4.74 105.19 111.45 3fiq n GLY 76 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 3fiq n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fiq s ARG 77 N -0.89 3.70 0.06 1.61 0.52 -1.26 -4.71 118.95 117.97 3fiq s ARG 77 Ca 0.00 0.45 0.05 0.00 -0.52 0.00 0.00 55.73 55.71 3fiq s ARG 77 Cb 0.00 -2.34 -0.04 0.00 0.52 0.00 0.00 34.95 33.10 3fiq s ARG 77 CO 0.00 -0.16 -0.08 0.71 0.02 0.00 0.00 175.30 175.79 3fiq s TYR 78 N -2.59 2.80 0.02 -0.53 1.51 0.10 -0.15 117.35 118.52 3fiq s TYR 78 Ca 0.51 -0.11 0.08 0.00 -1.01 0.00 0.00 57.07 56.54 3fiq s TYR 78 Cb -0.10 -1.51 -0.03 0.00 -0.11 0.00 0.00 41.96 40.21 3fiq s TYR 78 CO 0.38 0.40 -0.22 0.95 -1.11 0.00 0.00 175.55 175.94 3fiq s THR 79 N -1.12 2.44 -0.03 -0.71 -4.23 -0.53 -0.92 115.64 110.54 3fiq s THR 79 Ca 0.20 -1.19 -0.18 0.00 -1.18 0.00 0.00 61.69 59.34 3fiq s THR 79 Cb -0.11 -1.96 0.03 0.00 1.34 0.00 0.00 72.50 71.81 3fiq s THR 79 CO 0.11 0.43 0.38 0.28 -0.54 0.00 0.00 174.62 175.28 3fiq s THR 80 N -0.80 0.04 -0.23 3.99 -1.32 -0.86 -1.41 115.64 115.06 3fiq s THR 80 Ca 0.12 -0.36 -0.23 0.00 -1.21 0.00 0.00 61.69 60.02 3fiq s THR 80 Cb -0.10 -0.68 -0.01 0.00 -1.51 0.00 0.00 72.50 70.19 3fiq s THR 80 CO 0.02 -0.20 0.73 -1.81 -2.21 0.00 0.00 174.62 171.15 3fiq s ASP 81 N -1.21 6.73 -0.30 8.08 1.01 -1.26 -1.02 116.67 128.70 3fiq s ASP 81 Ca -0.12 0.91 -0.15 0.00 0.71 0.00 0.00 52.55 53.89 3fiq s ASP 81 Cb -0.04 -2.39 0.17 0.00 1.01 0.00 0.00 42.92 41.67 3fiq s ASP 81 CO 0.05 -0.41 1.06 -0.47 0.21 0.00 0.00 175.17 175.61 3fiq s TYR 82 N 2.50 -0.52 -1.37 4.23 5.04 -1.26 -4.96 117.35 121.01 3fiq s TYR 82 Ca 0.31 0.80 -0.02 0.00 -2.44 0.00 0.00 57.07 55.72 3fiq s TYR 82 Cb -0.16 0.28 0.02 0.00 0.35 0.00 0.00 41.96 42.45 3fiq s TYR 82 CO 0.09 -0.27 0.67 0.45 -1.34 0.00 0.00 175.55 175.15 3fiq n SER 83 N 5.02 -1.49 0.00 4.32 2.88 -1.26 -4.39 113.62 118.70 3fiq n SER 83 Ca -0.08 -0.86 0.00 0.00 -1.33 0.00 0.00 58.87 56.60 3fiq n SER 83 Cb 0.53 -3.77 0.00 0.00 -0.75 0.00 0.00 64.21 60.23 3fiq n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fiq n GLY 84 N -1.68 -0.74 3.61 0.46 0.00 -1.26 -4.36 105.19 101.22 3fiq n GLY 84 Ca -0.25 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 3fiq n GLY 84 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3fiq s ARG 85 N 0.00 3.10 -0.06 1.61 6.06 0.10 -4.41 118.95 125.36 3fiq s ARG 85 Ca 0.00 -0.47 0.06 0.00 -2.50 0.00 0.00 55.73 52.82 3fiq s ARG 85 Cb 0.00 -2.78 -0.01 0.00 0.06 0.00 0.00 34.95 32.22 3fiq s ARG 85 CO 0.00 0.58 -0.23 -0.80 -2.50 0.00 0.00 175.30 172.34 3fiq s ASN 86 N -0.55 2.88 -0.26 -2.12 0.01 -0.19 -0.41 114.94 114.30 3fiq s ASN 86 Ca 0.09 -0.48 0.01 0.00 -0.71 0.00 0.00 52.86 51.77 3fiq s ASN 86 Cb -0.12 -0.83 0.07 0.00 0.41 0.00 0.00 41.25 40.78 3fiq s ASN 86 CO 0.02 0.22 -0.01 -0.31 -1.51 0.00 0.00 177.10 175.51 3fiq s TYR 87 N -0.09 2.53 0.15 2.20 1.51 -0.27 -2.03 117.35 121.36 3fiq s TYR 87 Ca -0.05 -1.97 0.04 0.00 -1.01 0.00 0.00 57.07 54.08 3fiq s TYR 87 Cb -0.14 -1.83 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 3fiq s TYR 87 CO 0.04 -0.82 -0.07 -0.59 -1.11 0.00 0.00 175.55 172.99 3fiq s PHE 88 N 1.34 1.22 0.14 2.71 -0.71 -0.09 -0.75 117.98 121.83 3fiq s PHE 88 Ca -0.01 -0.83 -0.16 0.00 -1.04 0.00 0.00 56.93 54.89 3fiq s PHE 88 Cb -0.19 -0.65 0.03 0.00 -1.21 0.00 0.00 43.02 41.01 3fiq s PHE 88 CO -0.09 -0.00 0.42 -3.38 -1.34 0.00 0.00 175.22 170.82 3fiq s HIS 89 N -3.43 -0.17 -0.29 3.49 -3.43 -0.21 0.00 115.29 111.25 3fiq s HIS 89 Ca 0.18 -0.15 -0.29 0.00 -0.80 0.00 0.00 55.06 54.00 3fiq s HIS 89 Cb 0.04 0.27 0.01 0.00 -1.43 0.00 0.00 32.58 31.47 3fiq s HIS 89 CO 0.01 -0.74 1.22 0.08 -2.00 0.00 0.00 174.74 173.31 3fiq s VAL 90 N -3.82 4.28 -0.13 -5.38 1.01 -1.26 -1.71 120.40 113.40 3fiq s VAL 90 Ca 0.04 1.47 -0.06 0.00 0.00 0.00 0.00 61.98 63.44 3fiq s VAL 90 Cb 0.01 -4.24 -0.26 0.00 0.00 0.00 0.00 36.38 31.90 3fiq s VAL 90 CO -0.10 -0.45 0.34 -0.11 0.00 0.00 0.00 175.10 174.78 3fiq n LEU 91 N 7.26 2.63 -3.79 3.92 7.94 0.38 -1.22 117.00 134.12 3fiq n LEU 91 Ca 0.14 0.19 -0.13 0.00 -1.11 0.00 0.00 56.01 55.10 3fiq n LEU 91 Cb 0.47 -1.08 -0.09 0.00 0.53 0.00 0.00 43.42 43.24 3fiq n LEU 91 CO 0.61 0.85 -0.03 -0.54 -1.11 0.00 0.00 177.39 177.17 3fiq s LYS 92 N -2.56 0.59 -0.01 1.96 -0.14 -1.11 -4.63 119.74 113.83 3fiq s LYS 92 Ca -0.23 -0.18 -0.08 0.00 -1.36 0.00 0.00 55.97 54.12 3fiq s LYS 92 Cb 0.07 0.26 0.01 0.00 -1.68 0.00 0.00 37.83 36.48 3fiq s LYS 92 CO 0.76 -0.15 0.16 -1.59 -0.76 0.00 0.00 175.35 173.77 3fiq s LYS 93 N -1.18 0.47 0.32 1.68 -2.85 -1.26 -0.87 119.74 116.05 3fiq s LYS 93 Ca -0.12 -0.28 0.05 0.00 -1.00 0.00 0.00 55.97 54.62 3fiq s LYS 93 Cb -0.05 0.20 -0.03 0.00 -2.06 0.00 0.00 37.83 35.89 3fiq s LYS 93 CO 0.03 -0.11 0.29 0.95 0.10 0.00 0.00 175.35 176.61 3fiq s THR 94 N -1.16 0.00 0.44 3.79 -4.23 -0.15 -5.01 115.64 109.32 3fiq s THR 94 Ca -0.12 -1.94 0.20 0.00 -1.18 0.00 0.00 61.69 58.64 3fiq s THR 94 Cb -0.06 -2.52 0.39 0.00 1.34 0.00 0.00 72.50 71.65 3fiq s THR 94 CO 0.02 0.00 1.88 0.44 -0.54 0.00 0.00 174.62 176.41 3fiq h ASP 95 N 2.18 0.32 -0.00 3.99 3.32 -2.01 -3.09 116.42 121.13 3fiq h ASP 95 Ca -0.26 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.82 3fiq h ASP 95 Cb 1.23 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3fiq h ASP 95 CO 0.38 0.14 -0.00 0.47 -1.72 0.00 0.00 179.24 178.51 3fiq n ASP 96 N -4.46 1.18 -3.78 6.45 8.00 -1.26 -5.00 116.55 117.68 3fiq n ASP 96 Ca 0.18 -1.09 -0.13 0.00 0.71 0.00 0.00 54.79 54.46 3fiq n ASP 96 Cb 0.71 0.02 -0.13 0.00 -0.02 0.00 0.00 41.12 41.69 3fiq n ASP 96 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3fiq s ILE 97 N -0.22 -0.02 -0.08 0.53 1.01 -1.17 -1.87 121.20 119.38 3fiq s ILE 97 Ca 0.03 0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.78 3fiq s ILE 97 Cb 0.02 -0.28 0.02 0.00 0.01 0.00 0.00 42.46 42.23 3fiq s ILE 97 CO 0.03 0.03 -0.11 -0.63 0.00 0.00 0.00 174.94 174.27 3fiq s ILE 98 N 0.66 1.10 -0.24 2.92 1.01 -0.18 -0.98 121.20 125.49 3fiq s ILE 98 Ca -0.05 -0.42 -0.14 0.00 0.00 0.00 0.00 60.65 60.04 3fiq s ILE 98 Cb -0.06 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 3fiq s ILE 98 CO -0.03 0.36 0.32 -0.36 0.00 0.00 0.00 174.94 175.23 3fiq s PHE 99 N 0.97 3.30 -0.03 3.97 0.40 -0.05 -0.84 117.98 125.70 3fiq s PHE 99 Ca -0.09 0.42 -0.02 0.00 -0.60 0.00 0.00 56.93 56.64 3fiq s PHE 99 Cb -0.15 -2.48 -0.04 0.00 0.51 0.00 0.00 43.02 40.86 3fiq s PHE 99 CO 0.00 -0.09 0.11 -0.06 0.70 0.00 0.00 175.22 175.88 3fiq s PHE 100 N 1.59 3.39 -0.10 0.36 0.08 0.08 -0.47 117.98 122.90 3fiq s PHE 100 Ca 0.14 0.29 0.01 0.00 0.12 0.00 0.00 56.93 57.49 3fiq s PHE 100 Cb -0.15 -1.80 -0.02 0.00 -0.57 0.00 0.00 43.02 40.48 3fiq s PHE 100 CO 0.08 0.60 -0.11 -1.58 -0.10 0.00 0.00 175.22 174.10 3fiq s HIS 101 N -1.17 2.83 -0.00 0.36 5.65 -0.69 -1.29 115.29 120.98 3fiq s HIS 101 Ca 0.22 -0.38 0.04 0.00 0.25 0.00 0.00 55.06 55.19 3fiq s HIS 101 Cb -0.12 -1.78 -0.01 0.00 -1.18 0.00 0.00 32.58 29.49 3fiq s HIS 101 CO 0.12 -0.01 -0.14 1.21 -0.65 0.00 0.00 174.74 175.27 3fiq s ASN 102 N -0.10 1.65 -0.35 9.88 2.47 0.18 -1.04 114.94 127.64 3fiq s ASN 102 Ca -0.01 -0.29 -0.10 0.00 0.42 0.00 0.00 52.86 52.88 3fiq s ASN 102 Cb -0.14 -0.17 0.02 0.00 -1.45 0.00 0.00 41.25 39.51 3fiq s ASN 102 CO 0.03 0.15 0.18 -0.69 -3.72 0.00 0.00 177.10 173.05 3fiq s VAL 103 N -0.42 4.52 -0.20 -5.21 1.01 0.07 -0.99 120.40 119.18 3fiq s VAL 103 Ca 0.05 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.16 3fiq s VAL 103 Cb -0.06 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 3fiq s VAL 103 CO -0.00 -0.12 0.35 0.21 0.00 0.00 0.00 175.10 175.53 3fiq s ASN 104 N 1.56 6.39 -0.35 3.32 3.84 -0.21 -1.11 114.94 128.38 3fiq s ASN 104 Ca 0.03 0.45 -0.05 0.00 0.21 0.00 0.00 52.86 53.50 3fiq s ASN 104 Cb -0.18 -2.21 0.06 0.00 -0.55 0.00 0.00 41.25 38.37 3fiq s ASN 104 CO 0.06 -0.03 0.11 -0.69 -2.79 0.00 0.00 177.10 173.76 3fiq s VAL 105 N 1.16 3.57 1.04 -5.21 1.01 0.45 -0.38 120.40 122.04 3fiq s VAL 105 Ca 0.17 -1.36 -0.17 0.00 0.00 0.00 0.00 61.98 60.62 3fiq s VAL 105 Cb -0.14 -3.11 0.22 0.00 0.00 0.00 0.00 36.38 33.35 3fiq s VAL 105 CO 0.07 -0.28 1.22 1.51 0.00 0.00 0.00 175.10 177.62 3fiq s ASP 106 N 1.52 2.36 0.17 3.32 1.47 -0.34 -0.72 116.67 124.44 3fiq s ASP 106 Ca -0.01 0.49 0.19 0.00 1.18 0.00 0.00 52.55 54.40 3fiq s ASP 106 Cb -0.20 -0.68 0.81 0.00 -0.34 0.00 0.00 42.92 42.51 3fiq s ASP 106 CO 0.01 -3.22 1.57 -0.62 0.68 0.00 0.00 175.17 173.58 3fiq n GLU 107 N -4.13 0.11 0.00 2.11 -0.58 -1.26 -1.51 120.64 115.38 3fiq n GLU 107 Ca 0.13 0.41 0.12 0.00 -0.42 0.00 0.00 57.16 57.40 3fiq n GLU 107 Cb 0.59 -1.74 0.24 0.00 -0.57 0.00 0.00 31.44 29.97 3fiq n GLU 107 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3fiq n SER 108 N -1.96 0.74 0.00 1.62 3.41 -1.26 -4.93 113.62 111.24 3fiq n SER 108 Ca 0.02 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 58.09 3fiq n SER 108 Cb 0.17 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 3fiq n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fiq n GLY 109 N 1.45 0.63 3.72 5.00 0.00 -0.57 -5.06 105.19 110.37 3fiq n GLY 109 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3fiq n GLY 109 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fiq s LYS 110 N -0.89 4.48 -0.21 1.61 2.20 -1.26 -4.72 119.74 120.95 3fiq s LYS 110 Ca 0.00 1.72 -0.15 0.00 -0.36 0.00 0.00 55.97 57.19 3fiq s LYS 110 Cb 0.00 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 3fiq s LYS 110 CO 0.00 -0.17 0.35 -1.21 -0.36 0.00 0.00 175.35 173.96 3fiq s GLU 111 N 0.76 4.14 -0.13 4.03 2.02 -1.26 -1.20 118.70 127.06 3fiq s GLU 111 Ca 0.56 0.10 0.02 0.00 0.02 0.00 0.00 54.97 55.68 3fiq s GLU 111 Cb -0.29 -3.54 0.01 0.00 0.10 0.00 0.00 34.13 30.41 3fiq s GLU 111 CO 0.30 -0.03 -0.21 0.99 0.02 0.00 0.00 175.26 176.33 3fiq s THR 112 N 1.31 1.98 -0.17 3.63 2.01 0.49 -4.94 115.64 119.94 3fiq s THR 112 Ca 0.17 -0.93 -0.15 0.00 0.31 0.00 0.00 61.69 61.09 3fiq s THR 112 Cb -0.15 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 3fiq s THR 112 CO 0.07 0.53 0.33 0.20 -0.69 0.00 0.00 174.62 175.07 3fiq s ASN 113 N 0.81 6.43 -0.02 3.53 0.01 -1.26 -1.05 114.94 123.39 3fiq s ASN 113 Ca -0.08 0.51 0.03 0.00 -0.71 0.00 0.00 52.86 52.61 3fiq s ASN 113 Cb -0.16 -2.20 -0.00 0.00 0.41 0.00 0.00 41.25 39.30 3fiq s ASN 113 CO -0.01 0.04 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.82 3fiq s VAL 114 N 0.75 0.90 -0.15 1.60 1.01 -0.16 -1.94 120.40 122.39 3fiq s VAL 114 Ca 0.17 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 3fiq s VAL 114 Cb -0.14 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 3fiq s VAL 114 CO 0.05 0.27 -0.08 -0.63 0.00 0.00 0.00 175.10 174.72 3fiq s ILE 115 N -0.00 3.50 -0.09 2.22 1.01 -0.23 -0.64 121.20 126.97 3fiq s ILE 115 Ca -0.00 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.18 3fiq s ILE 115 Cb -0.07 -2.52 0.01 0.00 0.01 0.00 0.00 42.46 39.89 3fiq s ILE 115 CO 0.00 0.50 -0.17 -0.22 0.00 0.00 0.00 174.94 175.05 3fiq s LEU 116 N 0.47 1.83 -0.25 2.97 0.20 -0.41 -0.63 118.68 122.86 3fiq s LEU 116 Ca -0.06 -0.42 -0.08 0.00 0.69 0.00 0.00 54.13 54.26 3fiq s LEU 116 Cb -0.15 -1.10 -0.03 0.00 -0.43 0.00 0.00 46.19 44.48 3fiq s LEU 116 CO 0.04 0.08 0.08 -0.69 -0.29 0.00 0.00 176.35 175.56 3fiq s VAL 117 N 0.61 4.39 -0.09 1.68 1.01 -0.05 -0.75 120.40 127.19 3fiq s VAL 117 Ca -0.15 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 3fiq s VAL 117 Cb -0.16 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 3fiq s VAL 117 CO 0.05 0.34 0.07 0.00 0.00 0.00 0.00 175.10 175.56 3fiq s ALA 118 N 1.58 3.58 0.30 5.51 0.00 -0.02 -0.35 121.76 132.36 3fiq s ALA 118 Ca 0.06 -0.74 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 3fiq s ALA 118 Cb -0.15 -1.71 -0.01 0.00 0.00 0.00 0.00 23.12 21.25 3fiq s ALA 118 CO 0.04 0.61 0.42 0.20 0.00 0.00 0.00 175.76 177.03 3fiq s GLY 119 N -1.03 1.34 -0.25 0.00 0.00 0.74 -1.01 107.32 107.10 3fiq s GLY 119 Ca 0.15 -1.44 -0.01 0.00 0.00 0.00 0.00 44.72 43.42 3fiq s GLY 119 CO 0.04 -1.00 -0.21 0.28 0.00 0.00 0.00 173.10 172.21 3fiq n LYS 120 N -0.49 0.65 -2.25 2.90 4.76 -0.78 -1.15 118.16 121.80 3fiq n LYS 120 Ca 0.01 0.17 -0.25 0.00 -2.87 0.00 0.00 58.31 55.37 3fiq n LYS 120 Cb 0.62 -1.53 0.07 0.00 -1.84 0.00 0.00 35.03 32.36 3fiq n LYS 120 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3fiq s ARG 121 N -2.52 2.12 0.07 1.97 0.52 -1.26 -4.92 118.95 114.94 3fiq s ARG 121 Ca -0.35 -0.36 0.27 0.00 -0.52 0.00 0.00 55.73 54.77 3fiq s ARG 121 Cb 0.10 -2.19 0.83 0.00 0.52 0.00 0.00 34.95 34.21 3fiq s ARG 121 CO 0.60 -1.26 1.68 0.39 0.02 0.00 0.00 175.30 176.73 3fiq n GLU 122 N -2.90 0.12 -3.97 3.54 1.02 -1.26 -4.92 120.64 112.26 3fiq n GLU 122 Ca 0.09 0.07 -0.09 0.00 -0.02 0.00 0.00 57.16 57.21 3fiq n GLU 122 Cb 0.60 -1.61 -0.04 0.00 -0.02 0.00 0.00 31.44 30.37 3fiq n GLU 122 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3fiq s ASP 123 N -3.59 -0.10 0.34 1.62 2.15 -1.26 -4.87 116.67 110.94 3fiq s ASP 123 Ca 0.11 -0.88 -0.03 0.00 0.43 0.00 0.00 52.55 52.18 3fiq s ASP 123 Cb 0.16 0.62 -0.04 0.00 -0.30 0.00 0.00 42.92 43.36 3fiq s ASP 123 CO 0.61 -1.19 0.58 -0.76 -0.17 0.00 0.00 175.17 174.24 3fiq s LEU 124 N -3.00 3.98 0.78 -1.34 1.43 -1.26 -5.04 118.68 114.23 3fiq s LEU 124 Ca 0.20 0.65 -0.07 0.00 -1.03 0.00 0.00 54.13 53.88 3fiq s LEU 124 Cb -0.02 -3.50 0.12 0.00 0.03 0.00 0.00 46.19 42.82 3fiq s LEU 124 CO 0.09 -0.28 1.09 0.54 0.23 0.00 0.00 176.35 178.02 3fiq s ASN 125 N -3.60 4.15 0.13 2.29 2.20 -1.26 -4.87 114.94 113.99 3fiq s ASN 125 Ca 0.43 0.10 -0.18 0.00 -0.94 0.00 0.00 52.86 52.27 3fiq s ASN 125 Cb -0.10 -0.48 -0.02 0.00 -2.00 0.00 0.00 41.25 38.65 3fiq s ASN 125 CO 0.34 -2.02 1.76 0.50 -2.94 0.00 0.00 177.10 174.74 3fiq h LYS 126 N -0.87 0.23 -0.75 3.55 3.11 -2.00 -2.05 116.57 117.79 3fiq h LYS 126 Ca -0.42 -0.01 0.06 0.00 -2.81 0.00 0.00 60.65 57.48 3fiq h LYS 126 Cb 1.27 -0.05 -0.06 0.00 -1.00 0.00 0.00 32.23 32.39 3fiq h LYS 126 CO 0.46 0.15 0.43 0.00 -2.81 0.00 0.00 179.45 177.69 3fiq h ALA 127 N 1.14 1.02 -0.06 5.00 0.00 -2.00 -2.61 119.26 121.75 3fiq h ALA 127 Ca 0.11 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3fiq h ALA 127 Cb 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3fiq h ALA 127 CO -0.09 0.12 -0.58 1.96 0.00 0.00 0.00 179.25 180.66 3fiq h GLN 128 N 0.78 0.20 -0.37 0.00 4.20 -1.84 -1.34 115.11 116.75 3fiq h GLN 128 Ca 0.34 -0.13 -0.14 0.00 0.06 0.00 0.00 58.65 58.77 3fiq h GLN 128 Cb 0.21 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3fiq h GLN 128 CO -0.19 0.72 -0.34 0.87 -0.67 0.00 0.00 178.83 179.22 3fiq h LYS 129 N 0.15 0.84 -0.15 1.46 1.57 -1.13 -0.91 116.57 118.41 3fiq h LYS 129 Ca -0.00 -0.41 -0.13 0.00 -1.87 0.00 0.00 60.65 58.23 3fiq h LYS 129 Cb 1.06 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 3fiq h LYS 129 CO 0.09 1.05 -0.47 0.37 -0.57 0.00 0.00 179.45 179.92 3fiq h GLN 130 N 0.70 0.37 -0.30 3.15 5.75 -1.16 -1.95 115.11 121.67 3fiq h GLN 130 Ca 0.07 -0.20 -0.06 0.00 -0.15 0.00 0.00 58.65 58.31 3fiq h GLN 130 Cb 0.90 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.45 3fiq h GLN 130 CO 0.08 0.76 -0.05 1.49 -2.65 0.00 0.00 178.83 178.47 3fiq h GLU 131 N 0.30 0.56 -0.43 1.69 4.81 -1.01 -0.64 114.58 119.86 3fiq h GLU 131 Ca 0.02 -0.20 0.05 0.00 -0.13 0.00 0.00 59.36 59.10 3fiq h GLU 131 Cb 0.94 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.23 3fiq h GLU 131 CO 0.08 0.74 0.16 1.25 -0.73 0.00 0.00 179.01 180.51 3fiq h LEU 132 N 0.34 0.17 -0.79 1.64 5.85 -1.07 -1.40 115.31 120.05 3fiq h LEU 132 Ca 0.08 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.88 3fiq h LEU 132 Cb 0.52 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 3fiq h LEU 132 CO 0.02 0.13 0.50 0.03 -0.34 0.00 0.00 178.44 178.79 3fiq h ARG 133 N 0.33 0.95 -0.25 1.25 3.08 -0.99 -0.68 114.38 118.07 3fiq h ARG 133 Ca 0.20 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 60.06 3fiq h ARG 133 Cb 0.19 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 3fiq h ARG 133 CO -0.20 0.63 -0.37 -0.22 -1.07 0.00 0.00 179.97 178.74 3fiq h LYS 134 N 0.98 0.70 -0.63 0.04 1.63 -0.72 -1.65 116.57 116.92 3fiq h LYS 134 Ca 0.31 -0.41 0.02 0.00 -0.85 0.00 0.00 60.65 59.72 3fiq h LYS 134 Cb 0.00 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.63 3fiq h LYS 134 CO -0.11 1.03 0.40 -0.07 -3.45 0.00 0.00 179.45 177.26 3fiq h LEU 135 N 0.42 0.68 -0.84 5.20 3.38 -1.10 -0.83 115.31 122.23 3fiq h LEU 135 Ca 0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3fiq h LEU 135 Cb 0.96 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 3fiq h LEU 135 CO 0.09 0.48 0.50 0.00 0.09 0.00 0.00 178.44 179.60 3fiq h ALA 136 N 1.25 1.07 -0.79 1.53 0.00 -1.00 -2.09 119.26 119.23 3fiq h ALA 136 Ca 0.24 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3fiq h ALA 136 Cb -0.04 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.37 3fiq h ALA 136 CO -0.08 0.53 0.50 0.93 0.00 0.00 0.00 179.25 181.14 3fiq h GLU 137 N 1.15 0.95 0.00 0.00 5.08 -0.49 -0.67 114.58 120.61 3fiq h GLU 137 Ca 0.30 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 3fiq h GLU 137 Cb -0.04 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 28.99 3fiq h GLU 137 CO -0.06 0.63 -0.13 0.93 -1.00 0.00 0.00 179.01 179.38 3fiq h GLU 138 N 0.98 0.00 -0.49 2.33 5.08 -0.59 -1.51 114.58 120.39 3fiq h GLU 138 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3fiq h GLU 138 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3fiq h GLU 138 CO -0.11 0.13 0.00 0.66 -1.00 0.00 0.00 179.01 178.69 3fiq n TYR 139 N -3.70 0.64 -3.70 4.33 4.01 -0.59 -4.93 117.16 113.22 3fiq n TYR 139 Ca -0.02 -0.32 -0.26 0.00 -0.16 0.00 0.00 57.90 57.15 3fiq n TYR 139 Cb 0.25 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.34 3fiq n TYR 139 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3fiq n ASN 140 N 1.39 -5.90 -4.47 7.72 5.15 -0.57 -4.99 115.26 113.59 3fiq n ASN 140 Ca 0.20 -0.61 -0.38 0.00 -0.60 0.00 0.00 54.58 53.19 3fiq n ASN 140 Cb 0.57 -4.69 -0.12 0.00 -0.53 0.00 0.00 39.78 35.01 3fiq n ASN 140 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3fiq s ILE 141 N -3.31 4.67 0.16 -1.44 1.01 -0.36 -4.87 121.20 117.06 3fiq s ILE 141 Ca 0.61 -0.27 -0.31 0.00 0.00 0.00 0.00 60.65 60.68 3fiq s ILE 141 Cb -0.28 -3.32 -0.09 0.00 0.01 0.00 0.00 42.46 38.78 3fiq s ILE 141 CO 0.76 0.15 1.50 -2.84 0.00 0.00 0.00 174.94 174.51 3fiq s PRO 142 N 1.64 4.25 0.50 2.79 0.02 -1.26 -4.18 135.00 138.77 3fiq s PRO 142 Ca 0.05 2.27 0.31 0.00 0.02 0.00 0.00 61.00 63.66 3fiq s PRO 142 Cb -0.16 -3.17 1.19 0.00 0.02 0.00 0.00 34.50 32.37 3fiq s PRO 142 CO 0.07 -0.53 1.91 -0.91 -0.33 0.00 0.00 177.00 177.20 3fiq h ASN 143 N 6.53 0.00 0.43 2.53 2.35 -1.93 -1.50 115.58 124.00 3fiq h ASN 143 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 3fiq h ASN 143 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.58 3fiq h ASN 143 CO 0.88 0.00 0.00 -1.84 -1.65 0.00 0.00 177.43 174.82 3fiq n GLU 144 N -3.00 0.04 -0.27 0.81 0.00 -1.26 -1.90 120.64 115.06 3fiq n GLU 144 Ca 0.01 0.24 0.06 0.00 0.00 0.00 0.00 57.16 57.48 3fiq n GLU 144 Cb 0.33 -1.50 0.19 0.00 0.00 0.00 0.00 31.44 30.46 3fiq n GLU 144 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3fiq n ASN 145 N -1.46 2.49 -4.73 -1.84 3.02 -0.56 -4.94 115.26 107.24 3fiq n ASN 145 Ca 0.04 -2.12 -0.42 0.00 -0.03 0.00 0.00 54.58 52.05 3fiq n ASN 145 Cb 0.15 -0.35 -0.03 0.00 -0.61 0.00 0.00 39.78 38.94 3fiq n ASN 145 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3fiq s THR 146 N -1.58 3.46 -0.23 3.41 2.01 -0.80 -4.26 115.64 117.67 3fiq s THR 146 Ca 0.28 1.15 -0.06 0.00 0.31 0.00 0.00 61.69 63.36 3fiq s THR 146 Cb 0.16 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 3fiq s THR 146 CO 0.16 0.14 0.03 -1.10 -0.69 0.00 0.00 174.62 173.16 3fiq s GLN 147 N 0.31 3.61 -0.35 4.92 -1.52 0.46 -5.00 119.66 122.09 3fiq s GLN 147 Ca 0.58 -0.51 -0.15 0.00 -1.95 0.00 0.00 55.36 53.33 3fiq s GLN 147 Cb -0.34 -3.19 -0.01 0.00 -0.22 0.00 0.00 33.01 29.25 3fiq s GLN 147 CO 0.35 -0.11 0.35 -1.58 -0.25 0.00 0.00 175.29 174.05 3fiq s HIS 148 N 1.34 3.21 -0.07 0.91 5.65 -1.26 -1.63 115.29 123.45 3fiq s HIS 148 Ca 0.05 -0.09 -0.12 0.00 0.25 0.00 0.00 55.06 55.14 3fiq s HIS 148 Cb -0.15 -2.66 -0.05 0.00 -1.18 0.00 0.00 32.58 28.55 3fiq s HIS 148 CO 0.02 -0.45 0.31 -0.51 -0.65 0.00 0.00 174.74 173.46 3fiq s LEU 149 N 1.97 4.41 0.14 8.88 1.02 -0.47 -5.01 118.68 129.62 3fiq s LEU 149 Ca 0.11 0.73 0.08 0.00 0.02 0.00 0.00 54.13 55.07 3fiq s LEU 149 Cb -0.17 -2.39 -0.04 0.00 0.02 0.00 0.00 46.19 43.61 3fiq s LEU 149 CO 0.12 0.31 -0.18 0.68 0.02 0.00 0.00 176.35 177.29 3fiq s VAL 150 N -0.78 1.70 0.53 -1.59 -7.23 -1.26 -4.68 120.40 107.08 3fiq s VAL 150 Ca 0.20 -1.75 0.20 0.00 -1.81 0.00 0.00 61.98 58.83 3fiq s VAL 150 Cb -0.15 -1.68 0.33 0.00 0.56 0.00 0.00 36.38 35.44 3fiq s VAL 150 CO 0.09 -0.24 2.09 -0.65 -0.31 0.00 0.00 175.10 176.08 3fiq h PRO 151 N 3.59 0.00 -0.16 4.82 0.11 -1.94 -1.64 132.00 136.78 3fiq h PRO 151 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3fiq h PRO 151 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3fiq h PRO 151 CO 0.47 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.51 3fiq n THR 152 N -4.43 0.20 -1.77 -1.15 -2.24 -1.26 -4.75 114.28 98.87 3fiq n THR 152 Ca 0.02 -0.36 -0.40 0.00 -2.27 0.00 0.00 64.05 61.04 3fiq n THR 152 Cb 0.31 0.43 0.01 0.00 -2.10 0.00 0.00 70.33 68.97 3fiq n THR 152 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3fiq n ASP 153 N 0.37 3.56 -0.23 3.42 8.00 -0.62 -4.89 116.55 126.16 3fiq n ASP 153 Ca 0.17 1.17 -0.01 0.00 0.71 0.00 0.00 54.79 56.82 3fiq n ASP 153 Cb 0.35 -1.62 0.06 0.00 -0.02 0.00 0.00 41.12 39.89 3fiq n ASP 153 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3fiq h THR 154 N 2.57 0.29 -0.14 -3.53 2.02 -1.90 -0.84 112.91 111.38 3fiq h THR 154 Ca -0.51 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.67 3fiq h THR 154 Cb 1.26 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 3fiq h THR 154 CO 0.62 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.51 3fiq s ASN 156 N -0.97 6.41 0.00 0.00 3.84 -0.32 -4.70 114.94 119.20 3fiq s ASN 156 Ca 0.09 -1.76 0.00 0.00 0.21 0.00 0.00 52.86 51.40 3fiq s ASN 156 Cb 0.05 -2.33 0.00 0.00 -0.55 0.00 0.00 41.25 38.42 3fiq s ASN 156 CO 0.06 -1.06 0.04 1.67 -2.79 0.00 0.00 177.10 175.02