#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fk6 s LEU 4 N 0.00 4.29 0.15 6.15 2.96 -1.26 -4.97 118.68 126.00 3fk6 s LEU 4 Ca 0.00 1.09 -0.13 0.00 -0.22 0.00 0.00 54.13 54.87 3fk6 s LEU 4 Cb 0.00 -2.99 0.01 0.00 0.50 0.00 0.00 46.19 43.71 3fk6 s LEU 4 CO 0.00 -0.11 0.36 1.51 -1.32 0.00 0.00 176.35 176.78 3fk6 s ASP 5 N 0.80 -0.09 0.21 3.68 1.47 -1.26 -5.06 116.67 116.42 3fk6 s ASP 5 Ca 0.35 -0.58 -0.16 0.00 1.18 0.00 0.00 52.55 53.34 3fk6 s ASP 5 Cb -0.17 0.46 0.22 0.00 -0.34 0.00 0.00 42.92 43.09 3fk6 s ASP 5 CO 0.16 -0.89 1.60 0.50 0.68 0.00 0.00 175.17 177.22 3fk6 h LYS 6 N 2.45 -0.06 -0.71 2.11 3.64 -1.96 -1.43 116.57 120.60 3fk6 h LYS 6 Ca -0.32 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.14 3fk6 h LYS 6 Cb 1.24 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.01 3fk6 h LYS 6 CO 0.47 -0.04 0.39 0.77 -2.27 0.00 0.00 179.45 178.76 3fk6 h SER 7 N -0.06 0.56 0.12 4.20 0.02 -1.98 0.25 113.55 116.66 3fk6 h SER 7 Ca 0.30 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.22 3fk6 h SER 7 Cb 0.53 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 3fk6 h SER 7 CO -0.71 0.35 -0.22 0.50 -1.14 0.00 0.00 176.83 175.61 3fk6 h LYS 8 N 0.70 0.19 -0.29 3.45 3.64 -1.67 0.45 116.57 123.03 3fk6 h LYS 8 Ca 0.33 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.49 3fk6 h LYS 8 Cb 0.25 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3fk6 h LYS 8 CO -0.21 0.41 -0.47 0.28 -2.27 0.00 0.00 179.45 177.19 3fk6 h VAL 9 N 0.18 1.28 -0.18 2.00 2.07 -0.15 -1.46 116.25 119.99 3fk6 h VAL 9 Ca 0.03 -1.65 -0.05 0.00 0.82 0.00 0.00 66.70 65.85 3fk6 h VAL 9 Cb 0.49 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3fk6 h VAL 9 CO 0.03 0.54 -0.06 0.40 0.02 0.00 0.00 177.57 178.50 3fk6 h ILE 10 N 0.60 1.30 -0.67 4.57 2.04 0.15 0.29 117.51 125.79 3fk6 h ILE 10 Ca 0.02 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 3fk6 h ILE 10 Cb 1.07 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 38.74 3fk6 h ILE 10 CO 0.11 0.32 0.42 0.78 0.00 0.00 0.00 178.15 179.78 3fk6 h ASN 11 N 0.07 0.80 -0.41 1.72 2.35 -0.14 0.27 115.58 120.23 3fk6 h ASN 11 Ca 0.04 -0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 3fk6 h ASN 11 Cb 0.52 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3fk6 h ASN 11 CO 0.02 0.61 -0.11 0.28 -1.65 0.00 0.00 177.43 176.58 3fk6 h SER 12 N 0.91 0.81 -0.61 5.81 0.02 -1.21 -0.66 113.55 118.63 3fk6 h SER 12 Ca 0.24 -0.37 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3fk6 h SER 12 Cb -0.05 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.23 3fk6 h SER 12 CO -0.05 1.00 0.40 0.00 -1.14 0.00 0.00 176.83 177.04 3fk6 h ALA 13 N 0.85 0.77 -0.24 3.77 0.00 -0.47 0.53 119.26 124.47 3fk6 h ALA 13 Ca 0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3fk6 h ALA 13 Cb 0.65 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3fk6 h ALA 13 CO 0.04 0.21 0.13 -0.07 0.00 0.00 0.00 179.25 179.57 3fk6 h LEU 14 N 0.83 0.30 -0.13 0.00 3.38 -0.26 0.50 115.31 119.93 3fk6 h LEU 14 Ca 0.22 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3fk6 h LEU 14 Cb -0.09 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3fk6 h LEU 14 CO -0.05 0.30 0.08 -0.08 0.09 0.00 0.00 178.44 178.79 3fk6 h GLU 15 N 0.28 0.17 -0.54 1.13 4.81 -0.67 0.65 114.58 120.41 3fk6 h GLU 15 Ca 0.09 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3fk6 h GLU 15 Cb 0.06 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 3fk6 h GLU 15 CO -0.01 0.11 0.34 1.25 -0.73 0.00 0.00 179.01 179.97 3fk6 h LEU 16 N 0.17 0.63 -0.76 1.64 5.85 0.35 0.13 115.31 123.32 3fk6 h LEU 16 Ca 0.05 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3fk6 h LEU 16 Cb -0.01 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 3fk6 h LEU 16 CO -0.02 0.48 0.48 0.25 -0.34 0.00 0.00 178.44 179.30 3fk6 h LEU 17 N 0.73 0.79 -1.19 2.25 5.85 0.36 0.52 115.31 124.61 3fk6 h LEU 17 Ca 0.20 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3fk6 h LEU 17 Cb -0.05 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.81 3fk6 h LEU 17 CO -0.04 0.55 0.00 -1.13 -0.34 0.00 0.00 178.44 177.48 3fk6 h ASN 18 N 0.94 0.00 0.08 1.25 -1.24 -0.11 0.24 115.58 116.73 3fk6 h ASN 18 Ca 0.31 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 57.00 3fk6 h ASN 18 Cb 0.02 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.05 3fk6 h ASN 18 CO -0.11 0.00 -1.74 -0.62 -1.29 0.00 0.00 177.43 173.67 3fk6 n GLU 19 N -2.91 0.69 0.00 6.67 1.02 0.41 -4.70 120.64 121.82 3fk6 n GLU 19 Ca 0.01 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 3fk6 n GLU 19 Cb 0.31 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 3fk6 n GLU 19 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3fk6 n VAL 20 N -3.83 0.25 -0.01 2.62 0.24 0.15 -5.08 118.33 112.67 3fk6 n VAL 20 Ca -0.32 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 3fk6 n VAL 20 Cb 0.92 1.08 -0.00 0.00 -1.47 0.00 0.00 33.84 34.36 3fk6 n VAL 20 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fk6 n GLY 21 N -0.12 -2.20 0.31 7.63 0.00 0.84 -3.43 105.19 108.22 3fk6 n GLY 21 Ca 0.00 -1.48 0.09 0.00 0.00 0.00 0.00 46.02 44.63 3fk6 n GLY 21 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3fk6 h ILE 22 N -0.01 0.99 -0.29 -0.61 2.10 -1.83 -1.16 117.51 116.70 3fk6 h ILE 22 Ca -0.00 -0.11 -0.12 0.00 1.08 0.00 0.00 64.86 65.71 3fk6 h ILE 22 Cb 0.01 0.66 -0.01 0.00 -1.09 0.00 0.00 36.82 36.38 3fk6 h ILE 22 CO 0.00 0.06 -0.32 -0.08 -1.08 0.00 0.00 178.15 176.73 3fk6 h GLU 23 N 0.31 0.61 0.00 2.19 4.81 -1.97 -2.54 114.58 117.99 3fk6 h GLU 23 Ca 0.15 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3fk6 h GLU 23 Cb 0.20 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3fk6 h GLU 23 CO -0.03 0.85 -0.28 0.41 -0.73 0.00 0.00 179.01 179.23 3fk6 n GLY 24 N -0.15 -1.39 3.57 1.92 0.00 -0.68 -4.63 105.19 103.83 3fk6 n GLY 24 Ca -0.01 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 3fk6 n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fk6 s LEU 25 N -3.20 3.44 0.13 0.99 0.20 -0.53 -4.84 118.68 114.87 3fk6 s LEU 25 Ca 0.12 -1.52 0.07 0.00 0.69 0.00 0.00 54.13 53.49 3fk6 s LEU 25 Cb 0.17 -2.57 -0.04 0.00 -0.43 0.00 0.00 46.19 43.32 3fk6 s LEU 25 CO 0.63 -1.91 -0.09 0.42 -0.29 0.00 0.00 176.35 175.12 3fk6 s THR 26 N 6.70 3.38 0.17 3.68 -4.23 -1.26 -4.98 115.64 119.10 3fk6 s THR 26 Ca 0.56 -1.36 -0.17 0.00 -1.18 0.00 0.00 61.69 59.54 3fk6 s THR 26 Cb -0.01 -2.61 0.11 0.00 1.34 0.00 0.00 72.50 71.33 3fk6 s THR 26 CO -0.01 0.04 1.67 0.74 -0.54 0.00 0.00 174.62 176.52 3fk6 h THR 27 N 3.06 0.58 0.19 3.99 2.02 -1.97 0.86 112.91 121.63 3fk6 h THR 27 Ca -0.48 -0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.71 3fk6 h THR 27 Cb 1.18 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 3fk6 h THR 27 CO 0.53 0.00 -0.39 -0.09 0.37 0.00 0.00 175.52 175.94 3fk6 h ARG 28 N 0.01 -0.64 -0.73 6.66 2.43 -1.97 0.79 114.38 120.92 3fk6 h ARG 28 Ca 0.20 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 3fk6 h ARG 28 Cb 0.31 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 3fk6 h ARG 28 CO -0.43 -0.43 0.32 -0.22 -1.51 0.00 0.00 179.97 177.70 3fk6 h LYS 29 N -0.67 1.07 -0.61 0.20 1.63 -1.67 0.43 116.57 116.96 3fk6 h LYS 29 Ca 0.01 -0.17 -0.07 0.00 -0.85 0.00 0.00 60.65 59.58 3fk6 h LYS 29 Cb 0.67 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 3fk6 h LYS 29 CO -0.19 0.84 0.12 1.25 -3.45 0.00 0.00 179.45 178.03 3fk6 h LEU 30 N 1.05 0.95 -0.55 5.20 5.85 0.12 0.28 115.31 128.20 3fk6 h LEU 30 Ca 0.25 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3fk6 h LEU 30 Cb 0.15 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3fk6 h LEU 30 CO -0.03 0.95 0.22 0.00 -0.34 0.00 0.00 178.44 179.25 3fk6 h ALA 31 N 1.03 0.72 0.67 1.25 0.00 0.13 -0.65 119.26 122.41 3fk6 h ALA 31 Ca 0.19 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3fk6 h ALA 31 Cb 0.39 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3fk6 h ALA 31 CO 0.01 0.33 -0.43 1.96 0.00 0.00 0.00 179.25 181.12 3fk6 h GLN 32 N 0.75 -1.00 -0.96 0.00 4.20 0.45 0.25 115.11 118.81 3fk6 h GLN 32 Ca 0.18 0.07 0.20 0.00 0.06 0.00 0.00 58.65 59.16 3fk6 h GLN 32 Cb 0.20 0.23 -0.08 0.00 0.30 0.00 0.00 27.48 28.12 3fk6 h GLN 32 CO -0.02 -0.67 0.61 -0.22 -0.67 0.00 0.00 178.83 177.87 3fk6 h LYS 33 N -1.04 0.56 0.00 1.46 3.64 -0.32 0.36 116.57 121.23 3fk6 h LYS 33 Ca -0.08 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3fk6 h LYS 33 Cb 0.84 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 3fk6 h LYS 33 CO 0.08 0.37 -0.10 -0.07 -2.27 0.00 0.00 179.45 177.45 3fk6 h LEU 34 N 0.58 0.00 -1.92 5.20 3.38 -0.61 -3.48 115.31 118.46 3fk6 h LEU 34 Ca 0.52 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 58.28 3fk6 h LEU 34 Cb 1.05 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.90 3fk6 h LEU 34 CO -0.27 0.01 -0.45 0.61 0.09 0.00 0.00 178.44 178.43 3fk6 n GLY 35 N 1.26 -0.06 3.53 0.83 0.00 0.13 -5.05 105.19 105.83 3fk6 n GLY 35 Ca 0.05 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 3fk6 n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fk6 s VAL 36 N -3.21 0.01 0.10 1.61 -7.23 -0.75 -5.04 120.40 105.89 3fk6 s VAL 36 Ca 0.04 -1.34 -0.30 0.00 -1.81 0.00 0.00 61.98 58.56 3fk6 s VAL 36 Cb -0.00 -2.07 -0.06 0.00 0.56 0.00 0.00 36.38 34.81 3fk6 s VAL 36 CO 0.42 -0.07 0.99 -1.61 -0.31 0.00 0.00 175.10 174.53 3fk6 s GLU 37 N -3.99 4.65 0.25 4.82 0.41 -1.26 -4.40 118.70 119.18 3fk6 s GLU 37 Ca 0.20 1.49 -0.13 0.00 -0.41 0.00 0.00 54.97 56.12 3fk6 s GLU 37 Cb 0.00 -3.38 0.33 0.00 -1.78 0.00 0.00 34.13 29.31 3fk6 s GLU 37 CO 0.06 0.14 1.53 1.04 -0.49 0.00 0.00 175.26 177.54 3fk6 n GLN 38 N 2.95 -0.17 -0.30 1.61 6.02 -1.26 -1.02 117.38 125.22 3fk6 n GLN 38 Ca 0.03 1.52 0.13 0.00 -0.01 0.00 0.00 57.00 58.68 3fk6 n GLN 38 Cb 0.49 -2.27 0.30 0.00 1.02 0.00 0.00 30.24 29.78 3fk6 n GLN 38 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 3fk6 h PRO 39 N 0.00 0.28 -0.44 -1.09 0.11 -1.98 0.58 132.00 129.47 3fk6 h PRO 39 Ca 0.40 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 66.62 3fk6 h PRO 39 Cb 0.65 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.67 3fk6 h PRO 39 CO -0.99 0.19 0.31 1.79 -0.21 0.00 0.00 178.00 179.09 3fk6 h THR 40 N 0.29 0.79 -0.46 -1.15 1.35 -1.47 0.51 112.91 112.78 3fk6 h THR 40 Ca 0.55 -0.01 -0.01 0.00 -0.55 0.00 0.00 66.41 66.39 3fk6 h THR 40 Cb 1.09 0.77 -0.02 0.00 -1.73 0.00 0.00 68.15 68.26 3fk6 h THR 40 CO -0.59 0.00 0.23 -0.07 -0.25 0.00 0.00 175.52 174.84 3fk6 h LEU 41 N 0.02 0.56 -0.12 3.87 3.38 -0.97 -1.35 115.31 120.70 3fk6 h LEU 41 Ca 0.21 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3fk6 h LEU 41 Cb 0.81 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3fk6 h LEU 41 CO -0.01 0.48 0.00 -1.22 0.09 0.00 0.00 178.44 177.78 3fk6 n TYR 42 N -4.40 0.11 0.34 1.13 4.02 0.17 -1.32 117.16 117.22 3fk6 n TYR 42 Ca 0.04 0.05 0.14 0.00 -0.01 0.00 0.00 57.90 58.11 3fk6 n TYR 42 Cb 0.11 -0.57 0.43 0.00 -0.02 0.00 0.00 39.34 39.29 3fk6 n TYR 42 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 176.86 174.36 3fk6 h TRP 43 N 0.00 0.00 0.00 -0.72 6.55 -1.32 -3.31 115.95 117.15 3fk6 h TRP 43 Ca 0.00 0.00 -0.04 0.00 0.95 0.00 0.00 58.89 59.80 3fk6 h TRP 43 Cb 0.20 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.49 3fk6 h TRP 43 CO 0.00 0.00 -1.25 0.72 -1.05 0.00 0.00 178.44 176.86 3fk6 n HIS 44 N -2.81 0.00 -3.68 0.49 8.25 -0.43 -4.93 115.22 112.11 3fk6 n HIS 44 Ca 0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.20 3fk6 n HIS 44 Cb 0.39 -0.16 -0.16 0.00 1.12 0.00 0.00 29.99 31.19 3fk6 n HIS 44 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3fk6 s VAL 45 N -2.23 0.45 0.15 1.59 1.01 -0.44 -4.76 120.40 116.18 3fk6 s VAL 45 Ca -0.02 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 3fk6 s VAL 45 Cb 0.02 -1.19 0.23 0.00 0.00 0.00 0.00 36.38 35.45 3fk6 s VAL 45 CO 0.19 -0.49 0.82 1.17 0.00 0.00 0.00 175.10 176.79 3fk6 n LYS 46 N 5.05 -0.05 -3.85 2.72 4.81 -1.26 -4.08 118.16 121.51 3fk6 n LYS 46 Ca -0.06 0.81 -0.05 0.00 -0.87 0.00 0.00 58.31 58.14 3fk6 n LYS 46 Cb 0.44 -1.23 0.01 0.00 0.02 0.00 0.00 35.03 34.28 3fk6 n LYS 46 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3fk6 s ASN 47 N -5.08 -0.02 0.36 3.14 2.20 -1.26 -4.88 114.94 109.39 3fk6 s ASN 47 Ca -0.07 -0.75 0.06 0.00 -0.94 0.00 0.00 52.86 51.16 3fk6 s ASN 47 Cb 0.15 0.58 0.68 0.00 -2.00 0.00 0.00 41.25 40.66 3fk6 s ASN 47 CO 0.41 -1.15 1.89 0.50 -2.94 0.00 0.00 177.10 175.81 3fk6 h LYS 48 N 2.00 0.41 -0.54 3.55 3.64 -1.98 0.27 116.57 123.92 3fk6 h LYS 48 Ca -0.28 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 58.93 3fk6 h LYS 48 Cb 1.23 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 3fk6 h LYS 48 CO 0.35 0.48 0.02 -0.09 -2.27 0.00 0.00 179.45 177.95 3fk6 h ARG 49 N 0.39 0.90 -0.19 1.90 9.65 -1.97 0.48 114.38 125.55 3fk6 h ARG 49 Ca 0.08 -0.25 -0.12 0.00 -1.10 0.00 0.00 59.98 58.60 3fk6 h ARG 49 Cb 0.35 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.81 3fk6 h ARG 49 CO 0.01 0.89 -0.38 0.00 2.80 0.00 0.00 179.97 183.29 3fk6 h ALA 50 N 1.17 0.99 0.36 2.80 0.00 -1.65 0.14 119.26 123.08 3fk6 h ALA 50 Ca 0.16 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3fk6 h ALA 50 Cb 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3fk6 h ALA 50 CO 0.02 0.61 -0.17 1.25 0.00 0.00 0.00 179.25 180.96 3fk6 h LEU 51 N 0.35 -0.41 -0.84 0.00 5.85 0.74 0.20 115.31 121.20 3fk6 h LEU 51 Ca 0.03 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.75 3fk6 h LEU 51 Cb 0.83 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.90 3fk6 h LEU 51 CO 0.07 -0.17 0.51 -0.07 -0.34 0.00 0.00 178.44 178.44 3fk6 h LEU 52 N -0.64 0.78 -0.43 2.25 3.38 0.14 0.23 115.31 121.01 3fk6 h LEU 52 Ca -0.05 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3fk6 h LEU 52 Cb 0.46 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3fk6 h LEU 52 CO 0.08 0.48 0.23 0.44 0.09 0.00 0.00 178.44 179.76 3fk6 h ASP 53 N 0.90 0.54 -0.80 -0.43 3.32 -0.48 -0.76 116.42 118.71 3fk6 h ASP 53 Ca 0.38 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3fk6 h ASP 53 Cb 0.24 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 3fk6 h ASP 53 CO -0.20 0.48 0.51 0.00 -1.72 0.00 0.00 179.24 178.31 3fk6 h ALA 54 N 1.08 1.01 -0.54 3.45 0.00 0.62 -0.71 119.26 124.16 3fk6 h ALA 54 Ca 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3fk6 h ALA 54 Cb 0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3fk6 h ALA 54 CO -0.02 0.45 0.27 -0.07 0.00 0.00 0.00 179.25 179.87 3fk6 h LEU 55 N 1.09 0.71 -0.13 0.00 3.38 -0.17 -0.04 115.31 120.14 3fk6 h LEU 55 Ca 0.29 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.16 3fk6 h LEU 55 Cb -0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3fk6 h LEU 55 CO -0.06 0.63 -0.01 0.00 0.09 0.00 0.00 178.44 179.09 3fk6 h ALA 56 N 1.10 0.10 -0.73 1.53 0.00 -0.64 0.17 119.26 120.79 3fk6 h ALA 56 Ca 0.19 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3fk6 h ALA 56 Cb 0.11 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3fk6 h ALA 56 CO -0.02 -0.46 0.48 0.28 0.00 0.00 0.00 179.25 179.52 3fk6 h VAL 57 N 0.03 1.17 -0.38 0.00 2.07 -0.88 -2.40 116.25 115.87 3fk6 h VAL 57 Ca 0.06 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 3fk6 h VAL 57 Cb 0.07 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 3fk6 h VAL 57 CO -0.11 0.18 -0.08 -0.08 0.02 0.00 0.00 177.57 177.50 3fk6 h GLU 58 N 0.97 0.65 -0.52 1.57 4.57 -0.36 -0.79 114.58 120.67 3fk6 h GLU 58 Ca 0.27 -0.19 -0.06 0.00 -1.18 0.00 0.00 59.36 58.20 3fk6 h GLU 58 Cb -0.09 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.41 3fk6 h GLU 58 CO -0.07 0.72 0.08 0.82 -1.18 0.00 0.00 179.01 179.39 3fk6 h ILE 59 N 0.60 1.25 -0.35 2.32 2.04 -0.22 -1.91 117.51 121.24 3fk6 h ILE 59 Ca 0.11 -0.95 -0.16 0.00 1.00 0.00 0.00 64.86 64.86 3fk6 h ILE 59 Cb 0.49 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 3fk6 h ILE 59 CO 0.03 0.34 -0.42 -0.07 0.00 0.00 0.00 178.15 178.02 3fk6 h LEU 60 N 0.74 0.96 -1.02 1.44 3.38 -1.25 -1.10 115.31 118.46 3fk6 h LEU 60 Ca 0.16 -0.45 0.09 0.00 0.09 0.00 0.00 57.88 57.76 3fk6 h LEU 60 Cb 0.41 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 3fk6 h LEU 60 CO 0.01 1.24 0.64 0.00 0.09 0.00 0.00 178.44 180.43 3fk6 h ALA 61 N 0.79 1.45 0.18 1.53 0.00 -0.93 0.92 119.26 123.20 3fk6 h ALA 61 Ca 0.05 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.61 3fk6 h ALA 61 Cb 1.01 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.54 3fk6 h ALA 61 CO 0.10 0.36 -1.73 0.00 0.00 0.00 0.00 179.25 177.98 3fk6 h ARG 62 N 1.10 0.37 -0.00 0.00 3.08 -1.27 -3.42 114.38 114.24 3fk6 h ARG 62 Ca 0.46 -0.64 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3fk6 h ARG 62 Cb 0.29 0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3fk6 h ARG 62 CO -0.21 1.29 -0.04 0.72 -1.07 0.00 0.00 179.97 180.66 3fk6 n HIS 63 N -3.57 0.00 -3.35 3.04 8.25 -0.42 -4.82 115.22 114.36 3fk6 n HIS 63 Ca -0.24 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 56.77 3fk6 n HIS 63 Cb 1.07 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.17 3fk6 n HIS 63 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3fk6 s LYS 64 N -0.57 3.91 0.00 -0.41 2.20 0.31 -4.16 119.74 121.03 3fk6 s LYS 64 Ca 0.04 -2.90 0.20 0.00 -0.36 0.00 0.00 55.97 52.95 3fk6 s LYS 64 Cb 0.04 -4.48 1.06 0.00 -1.51 0.00 0.00 37.83 32.93 3fk6 s LYS 64 CO 0.08 -1.26 1.61 -0.40 -0.36 0.00 0.00 175.35 175.01 3fk6 n ASP 65 N 3.23 0.00 -4.06 1.43 5.68 -1.26 -4.66 116.55 116.91 3fk6 n ASP 65 Ca 0.19 -0.19 -0.26 0.00 -0.50 0.00 0.00 54.79 54.04 3fk6 n ASP 65 Cb 0.42 -0.20 -0.17 0.00 -1.14 0.00 0.00 41.12 40.04 3fk6 n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3fk6 s TYR 66 N -2.40 1.63 0.00 2.11 6.14 -1.26 -4.96 117.35 118.62 3fk6 s TYR 66 Ca 0.22 -0.61 0.00 0.00 0.64 0.00 0.00 57.07 57.33 3fk6 s TYR 66 Cb 0.13 -1.17 0.00 0.00 0.42 0.00 0.00 41.96 41.35 3fk6 s TYR 66 CO 0.28 -0.29 0.00 0.43 0.64 0.00 0.00 175.55 176.61 3fk6 n SER 67 N 3.72 0.00 -4.85 4.32 7.64 -1.26 -4.68 113.62 118.51 3fk6 n SER 67 Ca -0.22 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.32 3fk6 n SER 67 Cb 0.52 0.05 -0.06 0.00 -1.01 0.00 0.00 64.21 63.71 3fk6 n SER 67 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3fk6 s LEU 68 N -3.75 4.18 0.40 -3.43 1.43 -1.26 -4.90 118.68 111.35 3fk6 s LEU 68 Ca 0.00 0.30 -0.25 0.00 -1.03 0.00 0.00 54.13 53.15 3fk6 s LEU 68 Cb 0.00 -2.32 -0.08 0.00 0.03 0.00 0.00 46.19 43.81 3fk6 s LEU 68 CO 0.00 0.31 1.15 -2.16 0.23 0.00 0.00 176.35 175.88 3fk6 s PRO 69 N -1.58 4.07 0.92 1.29 0.04 -1.26 -5.02 135.00 133.45 3fk6 s PRO 69 Ca 0.22 1.78 -0.12 0.00 0.04 0.00 0.00 61.00 62.92 3fk6 s PRO 69 Cb -0.12 -2.65 0.14 0.00 0.04 0.00 0.00 34.50 31.91 3fk6 s PRO 69 CO 0.12 -0.29 1.09 0.00 0.04 0.00 0.00 177.00 177.97 3fk6 s ALA 70 N -1.45 1.42 0.16 8.56 0.00 -1.26 -4.88 121.76 124.31 3fk6 s ALA 70 Ca 0.57 -0.11 -0.34 0.00 0.00 0.00 0.00 51.96 52.09 3fk6 s ALA 70 Cb -0.29 -3.18 -0.14 0.00 0.00 0.00 0.00 23.12 19.51 3fk6 s ALA 70 CO 0.37 -2.46 1.58 0.00 0.00 0.00 0.00 175.76 175.25 3fk6 n ALA 71 N -3.95 1.44 -2.05 0.00 0.00 -1.26 -1.75 120.51 112.94 3fk6 n ALA 71 Ca 0.07 0.44 -0.17 0.00 0.00 0.00 0.00 53.44 53.78 3fk6 n ALA 71 Cb 0.55 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.62 3fk6 n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fk6 n GLY 72 N 3.42 0.35 3.77 0.00 0.00 -1.26 -4.98 105.19 106.48 3fk6 n GLY 72 Ca 0.17 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3fk6 n GLY 72 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fk6 s GLU 73 N -4.39 4.60 0.74 1.61 2.12 -0.72 -5.04 118.70 117.63 3fk6 s GLU 73 Ca 0.00 1.20 -0.12 0.00 0.36 0.00 0.00 54.97 56.41 3fk6 s GLU 73 Cb 0.00 -3.28 0.04 0.00 0.26 0.00 0.00 34.13 31.16 3fk6 s GLU 73 CO 0.00 0.53 1.10 -1.54 -0.54 0.00 0.00 175.26 174.81 3fk6 s SER 74 N -1.02 4.62 0.34 -1.70 1.04 -1.26 -4.84 113.70 110.88 3fk6 s SER 74 Ca 0.37 1.90 0.10 0.00 0.48 0.00 0.00 55.95 58.80 3fk6 s SER 74 Cb -0.23 -2.53 0.62 0.00 0.10 0.00 0.00 66.02 63.97 3fk6 s SER 74 CO 0.27 -1.96 1.78 4.11 0.98 0.00 0.00 173.24 178.42 3fk6 h TRP 75 N -0.79 0.13 -0.49 5.02 5.08 -1.96 -0.30 115.95 122.63 3fk6 h TRP 75 Ca -0.45 -0.03 -0.00 0.00 1.08 0.00 0.00 58.89 59.49 3fk6 h TRP 75 Cb 1.24 -0.03 -0.02 0.00 -3.00 0.00 0.00 29.16 27.34 3fk6 h TRP 75 CO 0.56 0.47 0.29 1.96 -1.28 0.00 0.00 178.44 180.45 3fk6 h GLN 76 N 0.10 0.67 -0.50 0.12 7.50 -1.98 -0.15 115.11 120.87 3fk6 h GLN 76 Ca 0.01 -0.06 -0.11 0.00 0.50 0.00 0.00 58.65 58.99 3fk6 h GLN 76 Cb 0.70 -0.14 -0.02 0.00 0.05 0.00 0.00 27.48 28.08 3fk6 h GLN 76 CO 0.05 0.49 -0.12 1.03 -1.50 0.00 0.00 178.83 178.78 3fk6 h SER 77 N 0.66 0.98 -0.59 1.46 0.87 -1.84 -1.34 113.55 113.74 3fk6 h SER 77 Ca 0.18 -0.36 0.06 0.00 -1.23 0.00 0.00 61.79 60.43 3fk6 h SER 77 Cb -0.00 -0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 61.64 3fk6 h SER 77 CO -0.03 1.11 0.31 0.15 -0.53 0.00 0.00 176.83 177.84 3fk6 h PHE 78 N 0.83 0.57 -0.13 2.24 3.57 -0.49 0.13 116.94 123.65 3fk6 h PHE 78 Ca 0.13 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 3fk6 h PHE 78 Cb 0.68 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 3fk6 h PHE 78 CO 0.05 0.27 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.23 3fk6 h LEU 79 N 0.58 0.32 -0.48 0.59 3.38 -0.87 -1.51 115.31 117.32 3fk6 h LEU 79 Ca 0.27 -0.45 0.04 0.00 0.09 0.00 0.00 57.88 57.83 3fk6 h LEU 79 Cb 0.18 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3fk6 h LEU 79 CO -0.18 0.70 0.23 -0.09 0.09 0.00 0.00 178.44 179.19 3fk6 h ARG 80 N -0.06 0.44 -0.42 1.13 2.43 -0.99 0.13 114.38 117.03 3fk6 h ARG 80 Ca 0.03 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 3fk6 h ARG 80 Cb 0.60 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3fk6 h ARG 80 CO 0.03 0.29 -0.14 -0.91 -1.51 0.00 0.00 179.97 177.72 3fk6 h ASN 81 N 0.45 0.85 -0.02 -3.80 2.35 -0.74 -0.93 115.58 113.75 3fk6 h ASN 81 Ca 0.21 -0.38 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3fk6 h ASN 81 Cb 0.13 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 3fk6 h ASN 81 CO -0.16 1.04 0.01 0.78 -1.65 0.00 0.00 177.43 177.45 3fk6 h ASN 82 N 0.66 0.02 0.18 5.81 2.35 -0.92 0.67 115.58 124.35 3fk6 h ASN 82 Ca 0.10 -0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3fk6 h ASN 82 Cb 0.69 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.04 3fk6 h ASN 82 CO 0.05 0.06 -0.21 0.00 -1.65 0.00 0.00 177.43 175.68 3fk6 h ALA 83 N 0.96 -0.40 -0.85 -0.83 0.00 -0.68 0.30 119.26 117.76 3fk6 h ALA 83 Ca 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3fk6 h ALA 83 Cb 0.04 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3fk6 h ALA 83 CO -0.00 -0.76 0.47 0.52 0.00 0.00 0.00 179.25 179.48 3fk6 h MET 84 N -0.43 1.19 -0.46 0.00 2.86 -1.11 0.33 114.93 117.31 3fk6 h MET 84 Ca 0.01 -0.14 -0.11 0.00 -2.06 0.00 0.00 59.70 57.39 3fk6 h MET 84 Cb 0.42 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 3fk6 h MET 84 CO -0.07 0.87 -0.17 1.03 1.06 0.00 0.00 176.91 179.63 3fk6 h SER 85 N 1.19 0.89 -0.39 1.22 0.87 -0.58 -1.11 113.55 115.64 3fk6 h SER 85 Ca 0.30 -0.31 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 3fk6 h SER 85 Cb 0.03 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 3fk6 h SER 85 CO -0.05 1.05 0.16 0.15 -0.53 0.00 0.00 176.83 177.61 3fk6 h PHE 86 N 0.78 0.59 -0.42 2.24 3.57 0.10 -1.85 116.94 121.94 3fk6 h PHE 86 Ca 0.11 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3fk6 h PHE 86 Cb 0.71 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 3fk6 h PHE 86 CO 0.04 0.53 0.28 -0.09 -2.23 0.00 0.00 178.31 176.84 3fk6 h ARG 87 N 0.48 0.56 -0.62 1.11 2.43 -0.70 -1.08 114.38 116.56 3fk6 h ARG 87 Ca 0.13 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3fk6 h ARG 87 Cb 0.19 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 3fk6 h ARG 87 CO -0.01 0.37 0.37 -0.09 -1.51 0.00 0.00 179.97 179.10 3fk6 h ARG 88 N 0.57 0.84 -0.81 0.20 9.65 -1.02 -1.26 114.38 122.56 3fk6 h ARG 88 Ca 0.15 -0.08 -0.04 0.00 -1.10 0.00 0.00 59.98 58.92 3fk6 h ARG 88 Cb -0.07 -0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 28.30 3fk6 h ARG 88 CO -0.03 0.61 0.36 0.00 2.80 0.00 0.00 179.97 183.70 3fk6 h ALA 89 N 1.19 1.05 -0.28 2.80 0.00 -0.92 -2.68 119.26 120.41 3fk6 h ALA 89 Ca 0.22 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3fk6 h ALA 89 Cb -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3fk6 h ALA 89 CO -0.04 0.65 -0.19 -0.07 0.00 0.00 0.00 179.25 179.59 3fk6 h LEU 90 N 1.16 0.51 -0.20 0.00 3.38 -0.81 -2.56 115.31 116.79 3fk6 h LEU 90 Ca 0.27 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3fk6 h LEU 90 Cb 0.17 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3fk6 h LEU 90 CO -0.03 0.72 0.00 0.18 0.09 0.00 0.00 178.44 179.40 3fk6 n LEU 91 N -4.15 0.40 -0.26 1.67 4.77 -0.51 -3.48 117.00 115.45 3fk6 n LEU 91 Ca 0.00 0.57 -0.05 0.00 -0.03 0.00 0.00 56.01 56.50 3fk6 n LEU 91 Cb 0.37 -0.48 0.10 0.00 -2.33 0.00 0.00 43.42 41.09 3fk6 n LEU 91 CO 0.41 -0.27 1.05 -0.09 -1.33 0.00 0.00 177.39 177.16 3fk6 h ARG 92 N 0.00 1.11 -6.55 3.23 9.65 -1.16 -3.44 114.38 117.22 3fk6 h ARG 92 Ca 0.00 -0.20 -0.66 0.00 -1.10 0.00 0.00 59.98 58.03 3fk6 h ARG 92 Cb 0.46 -0.18 -0.25 0.00 -1.39 0.00 0.00 29.97 28.61 3fk6 h ARG 92 CO 0.00 0.91 -0.87 0.71 2.80 0.00 0.00 179.97 183.52 3fk6 s TYR 93 N -5.49 2.15 0.19 2.20 2.02 -1.23 -5.07 117.35 112.12 3fk6 s TYR 93 Ca -0.12 -0.40 -0.33 0.00 -0.37 0.00 0.00 57.07 55.86 3fk6 s TYR 93 Cb 0.16 -1.26 -0.13 0.00 -0.40 0.00 0.00 41.96 40.33 3fk6 s TYR 93 CO 0.83 0.15 1.65 -2.13 -1.57 0.00 0.00 175.55 174.48 3fk6 n ARG 94 N 1.62 2.49 -1.35 -0.62 0.63 -1.26 -0.72 116.66 117.46 3fk6 n ARG 94 Ca -0.17 0.90 -0.12 0.00 -0.92 0.00 0.00 57.85 57.54 3fk6 n ARG 94 Cb 0.53 -2.71 -0.05 0.00 0.45 0.00 0.00 32.46 30.68 3fk6 n ARG 94 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3fk6 n ASP 95 N 3.65 -5.58 -0.20 6.15 10.43 -1.26 -4.62 116.55 125.11 3fk6 n ASP 95 Ca 0.16 0.30 0.20 0.00 2.57 0.00 0.00 54.79 58.01 3fk6 n ASP 95 Cb 0.32 -4.13 0.55 0.00 1.84 0.00 0.00 41.12 39.70 3fk6 n ASP 95 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 3fk6 h GLY 96 N 0.00 0.66 1.23 0.44 0.00 -1.06 0.19 103.07 104.52 3fk6 h GLY 96 Ca -0.24 -0.15 -0.17 0.00 0.00 0.00 0.00 47.33 46.77 3fk6 h GLY 96 CO 0.36 0.01 -0.49 0.00 0.00 0.00 0.00 176.54 176.41 3fk6 h ALA 97 N 1.62 0.56 -0.54 3.60 0.00 -1.81 -2.96 119.26 119.73 3fk6 h ALA 97 Ca 0.43 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3fk6 h ALA 97 Cb 1.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3fk6 h ALA 97 CO -0.13 0.68 0.04 0.87 0.00 0.00 0.00 179.25 180.71 3fk6 h LYS 98 N 0.65 0.89 0.00 0.00 1.57 -1.06 -1.80 116.57 116.82 3fk6 h LYS 98 Ca 0.03 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 3fk6 h LYS 98 Cb 1.08 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 3fk6 h LYS 98 CO 0.11 0.87 -0.05 0.28 -0.57 0.00 0.00 179.45 180.08 3fk6 h VAL 99 N 0.84 0.82 0.00 0.50 2.07 -1.16 -1.37 116.25 117.95 3fk6 h VAL 99 Ca 0.16 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3fk6 h VAL 99 Cb 0.44 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3fk6 h VAL 99 CO 0.02 0.05 -0.12 0.45 0.02 0.00 0.00 177.57 177.99 3fk6 h HIS 100 N 0.00 0.00 -3.25 1.57 3.86 -1.17 -3.43 115.15 112.74 3fk6 h HIS 100 Ca -0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 3fk6 h HIS 100 Cb 0.11 0.00 0.09 0.00 1.06 0.00 0.00 27.41 28.67 3fk6 h HIS 100 CO 0.00 0.00 0.81 1.28 0.86 0.00 0.00 177.93 180.88 3fk6 n LEU 101 N -2.87 4.17 0.00 2.43 4.77 -0.52 -2.38 117.00 122.60 3fk6 n LEU 101 Ca 0.04 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.18 3fk6 n LEU 101 Cb 0.51 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 3fk6 n LEU 101 CO 0.34 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3fk6 n GLY 102 N 1.94 2.23 3.75 -0.72 0.00 -1.26 -4.99 105.19 106.13 3fk6 n GLY 102 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 3fk6 n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fk6 s THR 103 N -2.43 3.08 0.12 2.61 -4.23 -1.00 -5.08 115.64 108.71 3fk6 s THR 103 Ca 0.00 0.35 0.02 0.00 -1.18 0.00 0.00 61.69 60.89 3fk6 s THR 103 Cb 0.00 -2.85 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 3fk6 s THR 103 CO 0.00 -0.46 -0.06 -0.13 -0.54 0.00 0.00 174.62 173.43 3fk6 s ARG 104 N -4.93 0.92 -0.02 3.99 1.81 -1.26 -5.11 118.95 114.36 3fk6 s ARG 104 Ca 0.62 -1.39 -0.38 0.00 -1.72 0.00 0.00 55.73 52.86 3fk6 s ARG 104 Cb -0.17 -0.30 -0.17 0.00 -0.45 0.00 0.00 34.95 33.86 3fk6 s ARG 104 CO 0.56 -0.01 1.44 -2.30 -0.68 0.00 0.00 175.30 174.31 3fk6 n PRO 105 N -0.10 1.11 -2.39 3.54 -0.02 -1.26 -4.95 135.00 130.93 3fk6 n PRO 105 Ca -0.11 0.40 -0.31 0.00 -2.02 0.00 0.00 63.50 61.46 3fk6 n PRO 105 Cb 0.61 -2.05 -0.02 0.00 -0.02 0.00 0.00 33.50 32.02 3fk6 n PRO 105 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3fk6 s ASP 106 N 1.31 6.49 0.48 2.55 2.15 -1.26 -4.91 116.67 123.48 3fk6 s ASP 106 Ca 0.89 1.40 0.18 0.00 0.43 0.00 0.00 52.55 55.45 3fk6 s ASP 106 Cb -1.00 -2.44 1.18 0.00 -0.30 0.00 0.00 42.92 40.36 3fk6 s ASP 106 CO 0.52 -0.61 1.99 -0.08 -0.17 0.00 0.00 175.17 176.83 3fk6 h GLU 107 N 0.66 0.22 0.00 4.34 4.81 -2.01 0.28 114.58 122.87 3fk6 h GLU 107 Ca -0.46 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3fk6 h GLU 107 Cb 1.19 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3fk6 h GLU 107 CO 0.62 0.15 0.00 1.63 -0.73 0.00 0.00 179.01 180.68 3fk6 n LYS 108 N -4.44 0.05 0.00 1.92 5.02 -1.26 -2.58 118.16 116.87 3fk6 n LYS 108 Ca 0.09 0.29 0.06 0.00 -2.02 0.00 0.00 58.31 56.73 3fk6 n LYS 108 Cb 0.45 -1.60 -0.06 0.00 -0.02 0.00 0.00 35.03 33.80 3fk6 n LYS 108 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3fk6 n GLN 109 N -1.70 2.76 -0.24 1.97 6.02 0.93 -4.69 117.38 122.44 3fk6 n GLN 109 Ca 0.03 -0.08 -0.05 0.00 -0.01 0.00 0.00 57.00 56.90 3fk6 n GLN 109 Cb 0.19 -1.10 0.01 0.00 1.02 0.00 0.00 30.24 30.36 3fk6 n GLN 109 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 3fk6 h TYR 110 N 0.16 -1.01 -0.19 1.08 -1.99 -1.18 -0.19 116.97 113.66 3fk6 h TYR 110 Ca 0.00 0.08 0.04 0.00 2.00 0.00 0.00 58.73 60.85 3fk6 h TYR 110 Cb 0.31 0.54 -0.04 0.00 2.00 0.00 0.00 36.73 39.54 3fk6 h TYR 110 CO 0.00 -0.39 -0.06 -0.44 -0.00 0.00 0.00 178.16 177.27 3fk6 h ASP 111 N -0.14 -0.22 -0.06 3.88 3.32 -1.84 -0.05 116.42 121.32 3fk6 h ASP 111 Ca 0.25 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.39 3fk6 h ASP 111 Cb 0.56 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 3fk6 h ASP 111 CO -0.74 -0.08 -0.13 0.74 -1.72 0.00 0.00 179.24 177.30 3fk6 h THR 112 N -0.03 0.66 -0.83 0.35 2.02 -1.57 -1.55 112.91 111.97 3fk6 h THR 112 Ca 0.09 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.28 3fk6 h THR 112 Cb 0.17 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 3fk6 h THR 112 CO -0.21 0.00 0.55 0.58 0.37 0.00 0.00 175.52 176.81 3fk6 h VAL 113 N -0.19 1.21 -0.23 3.16 2.07 -0.78 -0.90 116.25 120.59 3fk6 h VAL 113 Ca 0.07 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 3fk6 h VAL 113 Cb 0.28 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 3fk6 h VAL 113 CO -0.17 0.21 0.06 -0.08 0.02 0.00 0.00 177.57 177.61 3fk6 h GLU 114 N 1.12 0.37 -0.44 1.57 4.57 -0.58 0.46 114.58 121.66 3fk6 h GLU 114 Ca 0.30 -0.09 0.05 0.00 -1.18 0.00 0.00 59.36 58.45 3fk6 h GLU 114 Cb -0.12 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.37 3fk6 h GLU 114 CO -0.06 0.47 0.18 1.15 -1.18 0.00 0.00 179.01 179.56 3fk6 h THR 115 N 0.20 0.89 -0.21 0.32 2.02 -0.79 0.56 112.91 115.90 3fk6 h THR 115 Ca 0.07 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 67.15 3fk6 h THR 115 Cb 0.27 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3fk6 h THR 115 CO 0.00 0.07 0.08 1.56 0.37 0.00 0.00 175.52 177.59 3fk6 h GLN 116 N 0.36 0.18 -0.46 6.66 4.20 -0.86 0.67 115.11 125.86 3fk6 h GLN 116 Ca 0.20 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.83 3fk6 h GLN 116 Cb 0.17 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 3fk6 h GLN 116 CO -0.19 0.12 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.01 3fk6 h LEU 117 N 0.18 0.81 -0.70 1.46 3.38 -0.46 -2.09 115.31 117.88 3fk6 h LEU 117 Ca 0.09 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 3fk6 h LEU 117 Cb 0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3fk6 h LEU 117 CO -0.08 0.92 0.40 -0.09 0.09 0.00 0.00 178.44 179.68 3fk6 h ARG 118 N 0.67 0.97 -0.52 1.13 2.43 0.57 -1.18 114.38 118.45 3fk6 h ARG 118 Ca 0.13 -0.11 0.06 0.00 -0.81 0.00 0.00 59.98 59.26 3fk6 h ARG 118 Cb 0.51 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 29.82 3fk6 h ARG 118 CO 0.03 0.72 0.22 0.35 -1.51 0.00 0.00 179.97 179.77 3fk6 h PHE 119 N 0.96 0.40 -0.55 2.20 3.57 0.58 0.07 116.94 124.17 3fk6 h PHE 119 Ca 0.25 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.78 3fk6 h PHE 119 Cb 0.02 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 3fk6 h PHE 119 CO -0.01 0.16 0.36 0.52 -2.23 0.00 0.00 178.31 177.11 3fk6 h MET 120 N 0.43 0.73 -0.24 1.11 2.86 -0.70 -2.19 114.93 116.93 3fk6 h MET 120 Ca 0.24 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.79 3fk6 h MET 120 Cb 0.22 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3fk6 h MET 120 CO -0.22 0.49 -0.07 1.79 1.06 0.00 0.00 176.91 179.97 3fk6 h THR 121 N 0.75 1.18 0.00 2.22 1.35 -0.38 -2.02 112.91 116.01 3fk6 h THR 121 Ca 0.20 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 3fk6 h THR 121 Cb -0.07 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 3fk6 h THR 121 CO -0.04 0.25 0.00 -0.33 -0.25 0.00 0.00 175.52 175.15 3fk6 h GLU 122 N 0.35 0.00 -0.59 4.72 5.08 -0.42 -3.13 114.58 120.59 3fk6 h GLU 122 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3fk6 h GLU 122 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3fk6 h GLU 122 CO 0.02 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.12 3fk6 n ASN 123 N -2.56 3.45 0.00 1.42 3.02 -0.80 -4.92 115.26 114.87 3fk6 n ASN 123 Ca 0.03 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 3fk6 n ASN 123 Cb 0.37 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 3fk6 n ASN 123 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fk6 n GLY 124 N 1.53 2.06 3.84 7.41 0.00 -1.18 -5.05 105.19 113.80 3fk6 n GLY 124 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 3fk6 n GLY 124 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fk6 s PHE 125 N -2.05 3.37 0.56 1.61 0.40 -0.93 -5.01 117.98 115.92 3fk6 s PHE 125 Ca 0.00 1.33 -0.05 0.00 -0.60 0.00 0.00 56.93 57.61 3fk6 s PHE 125 Cb 0.00 -2.62 -0.00 0.00 0.51 0.00 0.00 43.02 40.91 3fk6 s PHE 125 CO 0.00 0.05 0.86 -1.54 0.70 0.00 0.00 175.22 175.29 3fk6 s SER 126 N -2.23 5.76 0.17 1.36 1.04 -1.26 -3.86 113.70 114.68 3fk6 s SER 126 Ca 0.56 0.73 -0.19 0.00 0.48 0.00 0.00 55.95 57.53 3fk6 s SER 126 Cb -0.10 -1.81 0.09 0.00 0.10 0.00 0.00 66.02 64.29 3fk6 s SER 126 CO 0.16 -0.93 1.64 0.25 0.98 0.00 0.00 173.24 175.35 3fk6 h LEU 127 N -0.04 -0.62 -0.21 2.42 7.12 -1.95 0.40 115.31 122.43 3fk6 h LEU 127 Ca -0.46 0.14 0.05 0.00 0.13 0.00 0.00 57.88 57.74 3fk6 h LEU 127 Cb 1.24 0.34 -0.05 0.00 -0.53 0.00 0.00 40.66 41.66 3fk6 h LEU 127 CO 0.61 -0.22 -0.10 -0.09 -0.13 0.00 0.00 178.44 178.51 3fk6 h ARG 128 N -0.12 -0.07 -0.33 1.25 2.43 -1.99 0.37 114.38 115.93 3fk6 h ARG 128 Ca 0.19 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.20 3fk6 h ARG 128 Cb 0.40 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3fk6 h ARG 128 CO -0.45 -0.05 -0.45 -0.44 -1.51 0.00 0.00 179.97 177.08 3fk6 h ASP 129 N -0.07 0.93 -0.86 -3.80 3.32 -1.86 -0.56 116.42 113.52 3fk6 h ASP 129 Ca 0.11 -0.45 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 3fk6 h ASP 129 Cb 0.24 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 3fk6 h ASP 129 CO -0.25 1.23 0.50 1.23 -1.72 0.00 0.00 179.24 180.23 3fk6 h GLY 130 N 0.80 1.26 0.73 2.75 0.00 -0.71 0.36 103.07 108.27 3fk6 h GLY 130 Ca 0.04 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 3fk6 h GLY 130 CO 0.10 0.52 -0.04 -2.00 0.00 0.00 0.00 176.54 175.13 3fk6 h LEU 131 N 1.19 -0.09 -1.48 3.11 5.85 -0.69 -2.08 115.31 121.13 3fk6 h LEU 131 Ca 0.31 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3fk6 h LEU 131 Cb -0.02 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3fk6 h LEU 131 CO -0.05 0.19 0.37 1.88 -0.34 0.00 0.00 178.44 180.49 3fk6 h TYR 132 N -0.37 0.66 -0.07 1.25 -1.99 -0.77 0.17 116.97 115.85 3fk6 h TYR 132 Ca -0.01 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 3fk6 h TYR 132 Cb 0.32 -0.22 -0.00 0.00 2.00 0.00 0.00 36.73 38.82 3fk6 h TYR 132 CO 0.01 0.40 0.03 0.00 -0.00 0.00 0.00 178.16 178.61 3fk6 h ALA 133 N 1.66 0.09 -0.51 3.88 0.00 -0.74 0.17 119.26 123.80 3fk6 h ALA 133 Ca 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3fk6 h ALA 133 Cb 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3fk6 h ALA 133 CO -0.05 -0.34 0.26 0.82 0.00 0.00 0.00 179.25 179.93 3fk6 h ILE 134 N -0.01 1.19 -0.87 0.00 2.04 -0.62 -1.91 117.51 117.33 3fk6 h ILE 134 Ca 0.02 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 3fk6 h ILE 134 Cb 0.13 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 3fk6 h ILE 134 CO -0.00 0.21 0.43 -0.07 0.00 0.00 0.00 178.15 178.72 3fk6 h LEU 135 N 0.69 1.12 -0.63 1.44 3.38 -0.52 0.74 115.31 121.54 3fk6 h LEU 135 Ca 0.18 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3fk6 h LEU 135 Cb 0.10 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3fk6 h LEU 135 CO -0.02 0.93 0.34 0.00 0.09 0.00 0.00 178.44 179.78 3fk6 h ALA 136 N 1.24 0.80 -0.54 1.53 0.00 -0.63 0.19 119.26 121.84 3fk6 h ALA 136 Ca 0.30 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3fk6 h ALA 136 Cb 0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3fk6 h ALA 136 CO -0.04 0.32 0.18 0.28 0.00 0.00 0.00 179.25 179.99 3fk6 h VAL 137 N 0.85 1.23 -0.20 0.00 2.07 -0.73 0.45 116.25 119.92 3fk6 h VAL 137 Ca 0.22 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3fk6 h VAL 137 Cb 0.05 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3fk6 h VAL 137 CO -0.04 0.29 0.09 0.40 0.02 0.00 0.00 177.57 178.33 3fk6 h ILE 138 N 0.75 1.15 -0.20 4.57 2.04 -0.41 0.04 117.51 125.45 3fk6 h ILE 138 Ca 0.18 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3fk6 h ILE 138 Cb 0.27 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3fk6 h ILE 138 CO -0.01 0.15 0.10 0.45 0.00 0.00 0.00 178.15 178.84 3fk6 h HIS 139 N 0.18 0.28 -0.23 1.37 3.86 -0.43 0.16 115.15 120.34 3fk6 h HIS 139 Ca 0.07 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.30 3fk6 h HIS 139 Cb 0.16 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 3fk6 h HIS 139 CO -0.02 0.28 0.03 0.35 0.86 0.00 0.00 177.93 179.43 3fk6 h PHE 140 N 0.20 0.04 -0.67 2.45 3.57 -0.83 -0.80 116.94 120.91 3fk6 h PHE 140 Ca 0.07 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 3fk6 h PHE 140 Cb 0.10 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 3fk6 h PHE 140 CO -0.03 -0.00 0.40 1.15 -2.23 0.00 0.00 178.31 177.60 3fk6 h THR 141 N 0.11 1.20 0.04 4.41 2.02 -0.64 -0.49 112.91 119.56 3fk6 h THR 141 Ca 0.11 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 3fk6 h THR 141 Cb 0.12 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 3fk6 h THR 141 CO -0.16 0.20 -0.02 -0.07 0.37 0.00 0.00 175.52 175.85 3fk6 h LEU 142 N 0.91 -0.05 -0.62 2.58 3.38 -0.36 -1.68 115.31 119.49 3fk6 h LEU 142 Ca 0.24 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.16 3fk6 h LEU 142 Cb -0.02 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3fk6 h LEU 142 CO -0.04 0.05 0.38 1.23 0.09 0.00 0.00 178.44 180.14 3fk6 h GLY 143 N -0.13 0.88 0.97 0.83 0.00 -0.92 -0.16 103.07 104.54 3fk6 h GLY 143 Ca -0.01 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 3fk6 h GLY 143 CO 0.01 0.24 0.06 0.00 0.00 0.00 0.00 176.54 176.85 3fk6 h ALA 144 N 1.27 0.62 -0.15 3.60 0.00 -1.01 -0.84 119.26 122.76 3fk6 h ALA 144 Ca 0.25 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3fk6 h ALA 144 Cb 0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3fk6 h ALA 144 CO -0.10 0.36 -0.09 0.28 0.00 0.00 0.00 179.25 179.70 3fk6 h VAL 145 N 0.65 1.33 -0.81 0.00 2.07 -1.13 -0.17 116.25 118.19 3fk6 h VAL 145 Ca 0.14 -1.17 0.05 0.00 0.82 0.00 0.00 66.70 66.54 3fk6 h VAL 145 Cb 0.41 1.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 3fk6 h VAL 145 CO 0.01 0.34 0.50 -0.07 0.02 0.00 0.00 177.57 178.38 3fk6 h LEU 146 N -0.03 0.80 -0.33 2.57 3.38 -0.99 0.25 115.31 120.96 3fk6 h LEU 146 Ca 0.03 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3fk6 h LEU 146 Cb 0.58 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3fk6 h LEU 146 CO 0.03 0.53 0.08 -0.33 0.09 0.00 0.00 178.44 178.84 3fk6 h GLU 147 N 0.94 0.53 0.53 1.13 4.39 -1.04 0.66 114.58 121.72 3fk6 h GLU 147 Ca 0.34 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.89 3fk6 h GLU 147 Cb 0.10 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3fk6 h GLU 147 CO -0.15 0.59 -0.38 0.37 -1.16 0.00 0.00 179.01 178.28 3fk6 h GLN 148 N 0.38 -0.83 -0.41 2.33 4.15 -0.17 -0.93 115.11 119.63 3fk6 h GLN 148 Ca 0.11 0.06 0.07 0.00 0.77 0.00 0.00 58.65 59.66 3fk6 h GLN 148 Cb 0.29 0.19 -0.07 0.00 0.21 0.00 0.00 27.48 28.11 3fk6 h GLN 148 CO 0.00 -0.55 0.01 1.96 -1.93 0.00 0.00 178.83 178.31 3fk6 h GLN 149 N -0.86 0.11 -0.83 1.69 4.20 -0.53 -1.45 115.11 117.45 3fk6 h GLN 149 Ca -0.07 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 3fk6 h GLN 149 Cb 0.71 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.43 3fk6 h GLN 149 CO 0.04 0.07 0.43 1.49 -0.67 0.00 0.00 178.83 180.19 3fk6 h GLU 150 N 0.11 1.16 -0.40 1.46 4.57 -0.79 -0.69 114.58 120.00 3fk6 h GLU 150 Ca 0.20 -0.15 -0.14 0.00 -1.18 0.00 0.00 59.36 58.10 3fk6 h GLU 150 Cb 0.29 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 3fk6 h GLU 150 CO -0.33 0.87 -0.28 0.45 -1.18 0.00 0.00 179.01 178.54 3fk6 h HIS 151 N 1.16 1.06 -0.34 0.92 3.86 -0.65 -2.26 115.15 118.91 3fk6 h HIS 151 Ca 0.29 -0.29 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 3fk6 h HIS 151 Cb 0.06 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 3fk6 h HIS 151 CO 0.01 1.10 -0.04 1.79 0.86 0.00 0.00 177.93 181.64 3fk6 h THR 152 N 0.73 1.21 -0.35 2.45 1.35 -0.96 1.03 112.91 118.37 3fk6 h THR 152 Ca 0.08 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 3fk6 h THR 152 Cb 0.86 1.01 -0.02 0.00 -1.73 0.00 0.00 68.15 68.27 3fk6 h THR 152 CO 0.08 0.30 0.22 0.00 -0.25 0.00 0.00 175.52 175.87 3fk6 h ALA 153 N 1.45 0.45 0.15 6.62 0.00 -0.89 -3.26 119.26 123.78 3fk6 h ALA 153 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3fk6 h ALA 153 Cb 0.40 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3fk6 h ALA 153 CO 0.02 -0.08 -0.07 0.00 0.00 0.00 0.00 179.25 179.12 3fk6 h ALA 154 N 1.11 -0.27 -2.12 0.00 0.00 -0.86 -3.51 119.26 113.61 3fk6 h ALA 154 Ca 0.13 -0.04 -0.44 0.00 0.00 0.00 0.00 54.91 54.55 3fk6 h ALA 154 Cb -0.03 0.08 0.16 0.00 0.00 0.00 0.00 17.79 18.00 3fk6 h ALA 154 CO -0.03 -0.26 0.33 -1.17 0.00 0.00 0.00 179.25 178.12 3fk6 s LEU 155 N -7.26 2.05 0.00 0.00 0.20 0.35 -5.10 118.68 108.92 3fk6 s LEU 155 Ca -0.03 0.49 0.00 0.00 0.69 0.00 0.00 54.13 55.28 3fk6 s LEU 155 Cb 0.00 -2.51 0.00 0.00 -0.43 0.00 0.00 46.19 43.26 3fk6 s LEU 155 CO 0.09 -3.05 0.00 -1.84 -0.29 0.00 0.00 176.35 171.26 3fk6 n GLU 164 N -4.02 0.00 -3.02 1.98 0.28 -1.26 -4.86 120.64 109.74 3fk6 n GLU 164 Ca 0.13 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.73 3fk6 n GLU 164 Cb 0.60 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.41 3fk6 n GLU 164 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 3fk6 s ASN 165 N 0.00 6.81 0.21 -1.84 2.47 -1.26 -5.05 114.94 116.29 3fk6 s ASN 165 Ca 0.00 0.99 0.05 0.00 0.42 0.00 0.00 52.86 54.32 3fk6 s ASN 165 Cb 0.00 -2.39 -0.05 0.00 -1.45 0.00 0.00 41.25 37.36 3fk6 s ASN 165 CO 0.00 -0.31 -0.06 -0.76 -3.72 0.00 0.00 177.10 172.25 3fk6 s LEU 166 N 1.91 2.39 0.54 3.21 1.43 -1.26 -5.12 118.68 121.78 3fk6 s LEU 166 Ca 0.33 -1.13 -0.22 0.00 -1.03 0.00 0.00 54.13 52.08 3fk6 s LEU 166 Cb -0.16 -0.42 -0.05 0.00 0.03 0.00 0.00 46.19 45.59 3fk6 s LEU 166 CO 0.12 -0.38 1.31 -2.65 0.23 0.00 0.00 176.35 174.98 3fk6 n PRO 167 N -0.39 1.62 -0.22 1.29 -0.02 -1.26 -4.78 135.00 131.24 3fk6 n PRO 167 Ca -0.07 0.60 0.02 0.00 -2.02 0.00 0.00 63.50 62.02 3fk6 n PRO 167 Cb 0.62 -2.52 0.13 0.00 -0.02 0.00 0.00 33.50 31.72 3fk6 n PRO 167 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3fk6 h PRO 168 N 1.37 0.42 -0.18 0.52 0.13 -2.00 -1.38 132.00 130.88 3fk6 h PRO 168 Ca -0.50 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.55 3fk6 h PRO 168 Cb 1.31 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3fk6 h PRO 168 CO 0.57 0.28 -0.07 -0.07 -0.23 0.00 0.00 178.00 178.47 3fk6 h LEU 169 N 0.43 0.37 -0.66 1.56 3.38 -1.99 -1.61 115.31 116.79 3fk6 h LEU 169 Ca 0.34 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3fk6 h LEU 169 Cb 0.45 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3fk6 h LEU 169 CO -0.34 0.69 0.15 0.25 0.09 0.00 0.00 178.44 179.28 3fk6 h LEU 170 N 0.05 1.02 -0.27 1.67 5.85 -1.92 0.15 115.31 121.87 3fk6 h LEU 170 Ca 0.04 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.55 3fk6 h LEU 170 Cb 0.54 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3fk6 h LEU 170 CO 0.02 1.00 0.07 -0.09 -0.34 0.00 0.00 178.44 179.10 3fk6 h ARG 171 N 1.00 0.17 -0.20 1.25 2.43 -1.22 0.30 114.38 118.11 3fk6 h ARG 171 Ca 0.21 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 3fk6 h ARG 171 Cb 0.39 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3fk6 h ARG 171 CO 0.01 0.11 0.06 1.49 -1.51 0.00 0.00 179.97 180.13 3fk6 h GLU 172 N 0.18 0.32 -0.73 0.20 4.81 -0.96 -1.56 114.58 116.83 3fk6 h GLU 172 Ca 0.12 -0.07 0.10 0.00 -0.13 0.00 0.00 59.36 59.39 3fk6 h GLU 172 Cb 0.11 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.37 3fk6 h GLU 172 CO -0.14 0.42 0.35 0.00 -0.73 0.00 0.00 179.01 178.91 3fk6 h ALA 173 N 0.89 1.02 -0.64 2.92 0.00 -0.16 0.19 119.26 123.47 3fk6 h ALA 173 Ca 0.07 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3fk6 h ALA 173 Cb 0.23 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3fk6 h ALA 173 CO -0.00 -0.07 0.26 -0.07 0.00 0.00 0.00 179.25 179.36 3fk6 h LEU 174 N 0.58 0.86 -1.04 0.00 3.38 -0.06 -0.12 115.31 118.91 3fk6 h LEU 174 Ca 0.37 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 3fk6 h LEU 174 Cb 0.43 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3fk6 h LEU 174 CO -0.30 0.77 -0.43 1.56 0.09 0.00 0.00 178.44 180.13 3fk6 h GLN 175 N 0.92 0.10 -0.02 1.13 7.50 0.05 -2.42 115.11 122.37 3fk6 h GLN 175 Ca 0.22 -0.05 -0.23 0.00 0.50 0.00 0.00 58.65 59.09 3fk6 h GLN 175 Cb 0.18 -0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.71 3fk6 h GLN 175 CO -0.02 0.52 -0.93 0.82 -1.50 0.00 0.00 178.83 177.72 3fk6 h ILE 176 N 0.08 1.37 0.00 2.54 2.04 0.11 -3.09 117.51 120.56 3fk6 h ILE 176 Ca 0.00 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.52 3fk6 h ILE 176 Cb 0.80 2.35 0.00 0.00 -0.74 0.00 0.00 36.82 39.24 3fk6 h ILE 176 CO 0.06 0.71 0.00 0.24 0.00 0.00 0.00 178.15 179.16 3fk6 h MET 177 N 0.29 0.00 0.00 2.37 2.86 -0.89 -2.78 114.93 116.77 3fk6 h MET 177 Ca -0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3fk6 h MET 177 Cb 1.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.22 3fk6 h MET 177 CO 0.17 0.00 -0.50 -0.25 1.06 0.00 0.00 176.91 177.39 3fk6 n ASP 178 N -2.82 0.50 -0.30 1.22 8.00 -0.93 -4.11 116.55 118.10 3fk6 n ASP 178 Ca 0.03 -0.18 0.04 0.00 0.71 0.00 0.00 54.79 55.38 3fk6 n ASP 178 Cb 0.38 0.22 0.24 0.00 -0.02 0.00 0.00 41.12 41.94 3fk6 n ASP 178 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 3fk6 h SER 179 N 0.00 0.90 -1.31 -2.24 0.87 -1.41 -3.46 113.55 106.90 3fk6 h SER 179 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3fk6 h SER 179 Cb 0.53 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 3fk6 h SER 179 CO 0.00 0.57 0.00 -0.90 -0.53 0.00 0.00 176.83 175.97 3fk6 n ASP 180 N -4.50 0.00 0.00 6.23 5.68 -1.26 -5.03 116.55 117.68 3fk6 n ASP 180 Ca 0.14 -0.83 0.14 0.00 -0.50 0.00 0.00 54.79 53.74 3fk6 n ASP 180 Cb 0.21 0.00 0.74 0.00 -1.14 0.00 0.00 41.12 40.93 3fk6 n ASP 180 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3fk6 n ASP 181 N -1.79 0.00 0.00 -1.12 5.75 -1.26 -4.80 116.55 113.33 3fk6 n ASP 181 Ca 0.00 -0.26 0.00 0.00 -0.01 0.00 0.00 54.79 54.52 3fk6 n ASP 181 Cb 0.00 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 3fk6 n ASP 181 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fk6 n GLY 182 N 1.06 1.05 0.15 6.12 0.00 -1.26 -4.86 105.19 107.46 3fk6 n GLY 182 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 3fk6 n GLY 182 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3fk6 h GLU 183 N 0.67 0.38 -0.46 1.61 4.81 -1.99 -0.66 114.58 118.93 3fk6 h GLU 183 Ca 0.00 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3fk6 h GLU 183 Cb 0.00 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3fk6 h GLU 183 CO 0.00 0.25 0.13 0.37 -0.73 0.00 0.00 179.01 179.03 3fk6 h GLN 184 N 0.39 0.72 -0.93 1.92 4.15 -1.96 -0.85 115.11 118.55 3fk6 h GLN 184 Ca 0.14 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 3fk6 h GLN 184 Cb 0.03 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.57 3fk6 h GLN 184 CO -0.08 0.70 0.54 0.00 -1.93 0.00 0.00 178.83 178.07 3fk6 h ALA 185 N 0.99 1.18 -0.05 3.38 0.00 -1.93 -1.83 119.26 121.00 3fk6 h ALA 185 Ca 0.15 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3fk6 h ALA 185 Cb 0.29 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3fk6 h ALA 185 CO -0.00 0.66 0.03 0.35 0.00 0.00 0.00 179.25 180.28 3fk6 h PHE 186 N 1.28 0.07 -0.40 0.00 3.57 -0.62 -1.59 116.94 119.25 3fk6 h PHE 186 Ca 0.33 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.79 3fk6 h PHE 186 Cb -0.03 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 3fk6 h PHE 186 CO 0.01 0.11 0.07 -0.07 -2.23 0.00 0.00 178.31 176.20 3fk6 h LEU 187 N 0.00 0.56 -0.19 0.59 3.38 -0.97 0.15 115.31 118.84 3fk6 h LEU 187 Ca 0.02 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3fk6 h LEU 187 Cb 0.07 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3fk6 h LEU 187 CO -0.00 0.58 0.02 -0.74 0.09 0.00 0.00 178.44 178.39 3fk6 h HIS 188 N 0.59 0.34 -0.60 1.13 2.76 -1.15 0.12 115.15 118.34 3fk6 h HIS 188 Ca 0.13 -0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 58.18 3fk6 h HIS 188 Cb 0.27 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.11 3fk6 h HIS 188 CO 0.01 0.49 0.11 0.78 -1.30 0.00 0.00 177.93 178.02 3fk6 h GLY 189 N 0.09 1.03 0.99 5.26 0.00 -0.82 -0.45 103.07 109.18 3fk6 h GLY 189 Ca 0.05 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 46.68 3fk6 h GLY 189 CO 0.01 0.60 0.10 -2.00 0.00 0.00 0.00 176.54 175.25 3fk6 h LEU 190 N 0.91 0.82 -0.54 3.11 5.85 -0.53 -1.62 115.31 123.32 3fk6 h LEU 190 Ca 0.19 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 3fk6 h LEU 190 Cb 0.37 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3fk6 h LEU 190 CO 0.01 0.86 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.59 3fk6 h GLU 191 N 0.75 0.98 -0.86 1.25 4.39 -0.66 -1.44 114.58 118.99 3fk6 h GLU 191 Ca 0.16 -0.33 0.04 0.00 0.34 0.00 0.00 59.36 59.57 3fk6 h GLU 191 Cb 0.37 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.89 3fk6 h GLU 191 CO 0.01 1.00 0.55 0.77 -1.16 0.00 0.00 179.01 180.18 3fk6 h SER 192 N 0.85 0.90 -0.10 1.42 0.02 -0.90 0.27 113.55 116.01 3fk6 h SER 192 Ca 0.15 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3fk6 h SER 192 Cb 0.59 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 3fk6 h SER 192 CO 0.04 0.61 0.05 -0.07 -1.14 0.00 0.00 176.83 176.32 3fk6 h LEU 193 N 1.05 0.13 -0.70 5.07 3.38 -0.89 0.91 115.31 124.25 3fk6 h LEU 193 Ca 0.35 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 3fk6 h LEU 193 Cb 0.04 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3fk6 h LEU 193 CO -0.13 0.19 0.38 0.40 0.09 0.00 0.00 178.44 179.37 3fk6 h ILE 194 N 0.06 1.22 -0.14 1.22 2.04 -0.74 0.97 117.51 122.14 3fk6 h ILE 194 Ca 0.04 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.28 3fk6 h ILE 194 Cb 0.09 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3fk6 h ILE 194 CO -0.01 0.25 -0.15 0.03 0.00 0.00 0.00 178.15 178.28 3fk6 h ARG 195 N 0.97 0.22 -0.09 2.37 3.08 -0.20 0.08 114.38 120.81 3fk6 h ARG 195 Ca 0.25 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 3fk6 h ARG 195 Cb 0.06 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 3fk6 h ARG 195 CO -0.04 0.37 -0.01 0.78 -1.07 0.00 0.00 179.97 180.01 3fk6 h GLY 196 N 0.75 0.17 0.97 0.04 0.00 0.57 -1.21 103.07 104.36 3fk6 h GLY 196 Ca 0.04 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.26 3fk6 h GLY 196 CO 0.02 0.12 0.48 0.74 0.00 0.00 0.00 176.54 177.91 3fk6 h PHE 197 N -0.14 0.91 -0.92 5.60 0.04 -0.49 -1.66 116.94 120.28 3fk6 h PHE 197 Ca 0.02 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.85 3fk6 h PHE 197 Cb 0.37 -0.31 -0.06 0.00 2.20 0.00 0.00 35.95 38.16 3fk6 h PHE 197 CO 0.04 0.56 0.60 1.49 -0.60 0.00 0.00 178.31 180.40 3fk6 h GLU 198 N 0.98 1.12 -0.50 1.51 4.81 -0.85 0.38 114.58 122.03 3fk6 h GLU 198 Ca 0.28 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 3fk6 h GLU 198 Cb -0.08 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.03 3fk6 h GLU 198 CO -0.07 0.74 0.02 0.28 -0.73 0.00 0.00 179.01 179.25 3fk6 h VAL 199 N 1.15 1.26 0.21 0.32 2.07 -0.67 -2.02 116.25 118.57 3fk6 h VAL 199 Ca 0.37 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 3fk6 h VAL 199 Cb 0.02 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3fk6 h VAL 199 CO -0.13 0.37 -0.10 1.56 0.02 0.00 0.00 177.57 179.29 3fk6 h GLN 200 N 0.74 -0.27 -0.28 1.57 4.20 -0.64 -2.76 115.11 117.67 3fk6 h GLN 200 Ca 0.15 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.93 3fk6 h GLN 200 Cb 0.49 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.27 3fk6 h GLN 200 CO 0.02 0.04 -0.09 1.25 -0.67 0.00 0.00 178.83 179.38 3fk6 h LEU 201 N -0.59 -0.32 -0.47 1.46 5.85 -0.26 -2.11 115.31 118.87 3fk6 h LEU 201 Ca -0.03 0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.88 3fk6 h LEU 201 Cb 0.43 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.58 3fk6 h LEU 201 CO 0.05 -0.12 -0.05 0.74 -0.34 0.00 0.00 178.44 178.72 3fk6 h THR 202 N -0.03 0.59 0.00 1.05 2.02 -1.38 1.47 112.91 116.62 3fk6 h THR 202 Ca 0.14 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.30 3fk6 h THR 202 Cb 0.24 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 3fk6 h THR 202 CO -0.31 0.01 0.00 0.00 0.37 0.00 0.00 175.52 175.59 3fk6 n ALA 203 N -2.71 1.42 -0.47 6.16 0.00 -0.84 -5.12 120.51 118.95 3fk6 n ALA 203 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3fk6 n ALA 203 Cb 0.26 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3fk6 n ALA 203 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78