#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fk6 s ASP 5 N 0.00 2.93 0.00 1.45 1.47 -1.26 -5.02 116.67 116.24 3fk6 s ASP 5 Ca 0.00 -1.27 0.00 0.00 1.18 0.00 0.00 52.55 52.46 3fk6 s ASP 5 Cb 0.00 -0.20 0.00 0.00 -0.34 0.00 0.00 42.92 42.38 3fk6 s ASP 5 CO 0.00 -0.41 0.97 0.29 0.68 0.00 0.00 175.17 176.70 3fk6 n LYS 6 N -0.69 0.00 -0.35 2.11 5.02 -1.26 -1.42 118.16 121.57 3fk6 n LYS 6 Ca -0.04 0.97 0.32 0.00 -2.02 0.00 0.00 58.31 57.53 3fk6 n LYS 6 Cb 0.65 -1.46 0.58 0.00 -0.02 0.00 0.00 35.03 34.78 3fk6 n LYS 6 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3fk6 h SER 7 N 0.00 0.34 0.48 4.39 4.64 -1.98 0.83 113.55 122.24 3fk6 h SER 7 Ca 0.00 0.23 -0.02 0.00 -0.47 0.00 0.00 61.79 61.52 3fk6 h SER 7 Cb 0.00 0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3fk6 h SER 7 CO 0.00 -0.34 -0.23 0.11 -0.87 0.00 0.00 176.83 175.50 3fk6 h LYS 8 N 0.07 -0.62 0.23 4.77 6.56 -1.66 0.51 116.57 126.44 3fk6 h LYS 8 Ca 0.83 0.04 0.01 0.00 -1.06 0.00 0.00 60.65 60.47 3fk6 h LYS 8 Cb 2.23 0.14 -0.03 0.00 -0.57 0.00 0.00 32.23 34.00 3fk6 h LYS 8 CO -0.68 -0.32 -0.30 0.28 -2.06 0.00 0.00 179.45 176.37 3fk6 h VAL 9 N -1.02 0.36 -0.28 0.50 2.07 0.11 -2.18 116.25 115.80 3fk6 h VAL 9 Ca -0.07 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.52 3fk6 h VAL 9 Cb 0.58 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 3fk6 h VAL 9 CO 0.11 0.00 -0.22 0.40 0.02 0.00 0.00 177.57 177.88 3fk6 h ILE 10 N -0.59 0.43 -0.97 4.57 1.08 0.46 0.12 117.51 122.61 3fk6 h ILE 10 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.48 3fk6 h ILE 10 Cb 0.57 0.43 -0.05 0.00 -3.07 0.00 0.00 36.82 34.70 3fk6 h ILE 10 CO -0.11 0.00 0.62 -1.13 -0.69 0.00 0.00 178.15 176.84 3fk6 h ASN 11 N -0.20 1.13 0.01 1.72 -1.24 -0.77 0.12 115.58 116.36 3fk6 h ASN 11 Ca 0.15 -0.05 -0.12 0.00 0.71 0.00 0.00 56.30 56.99 3fk6 h ASN 11 Cb 0.43 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 3fk6 h ASN 11 CO -0.40 0.84 -0.39 0.77 -1.29 0.00 0.00 177.43 176.96 3fk6 h SER 12 N 1.32 0.51 -0.24 1.15 4.64 -0.86 -0.82 113.55 119.26 3fk6 h SER 12 Ca 0.35 -0.22 -0.02 0.00 -0.47 0.00 0.00 61.79 61.43 3fk6 h SER 12 Cb -0.11 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 3fk6 h SER 12 CO -0.07 0.86 0.07 0.00 -0.87 0.00 0.00 176.83 176.81 3fk6 h ALA 13 N 1.17 0.32 -0.89 5.18 0.00 0.32 0.23 119.26 125.58 3fk6 h ALA 13 Ca 0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3fk6 h ALA 13 Cb 0.87 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 3fk6 h ALA 13 CO 0.07 -0.04 0.54 -0.07 0.00 0.00 0.00 179.25 179.75 3fk6 h LEU 14 N 0.22 1.07 -0.55 0.00 3.38 -0.65 0.37 115.31 119.14 3fk6 h LEU 14 Ca 0.08 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3fk6 h LEU 14 Cb 0.26 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3fk6 h LEU 14 CO -0.00 0.82 0.17 -0.08 0.09 0.00 0.00 178.44 179.43 3fk6 h GLU 15 N 1.23 0.86 -0.51 1.13 4.81 -0.66 -2.50 114.58 118.95 3fk6 h GLU 15 Ca 0.32 -0.19 -0.11 0.00 -0.13 0.00 0.00 59.36 59.25 3fk6 h GLU 15 Cb -0.06 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 3fk6 h GLU 15 CO -0.06 0.79 -0.13 1.25 -0.73 0.00 0.00 179.01 180.13 3fk6 h LEU 16 N 0.77 0.96 -0.73 1.64 5.85 0.26 -2.77 115.31 121.28 3fk6 h LEU 16 Ca 0.18 -0.32 0.07 0.00 0.84 0.00 0.00 57.88 58.65 3fk6 h LEU 16 Cb 0.29 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 3fk6 h LEU 16 CO -0.00 1.09 0.42 0.25 -0.34 0.00 0.00 178.44 179.85 3fk6 h LEU 17 N 0.85 0.61 -1.28 2.25 5.85 -0.01 -0.14 115.31 123.45 3fk6 h LEU 17 Ca 0.13 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 3fk6 h LEU 17 Cb 0.68 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3fk6 h LEU 17 CO 0.05 0.38 -0.35 0.78 -0.34 0.00 0.00 178.44 178.96 3fk6 h ASN 18 N 0.75 0.00 0.01 1.25 2.35 -1.30 0.21 115.58 118.85 3fk6 h ASN 18 Ca 0.34 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.09 3fk6 h ASN 18 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3fk6 h ASN 18 CO -0.20 0.35 -0.01 -0.33 -1.65 0.00 0.00 177.43 175.59 3fk6 h GLU 19 N 0.00 -0.01 -0.00 0.81 5.08 -0.85 -3.40 114.58 116.20 3fk6 h GLU 19 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fk6 h GLU 19 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3fk6 h GLU 19 CO 0.05 0.71 -0.26 1.33 -1.00 0.00 0.00 179.01 179.83 3fk6 n VAL 20 N -4.74 0.00 0.00 3.13 0.24 -0.22 -5.11 118.33 111.62 3fk6 n VAL 20 Ca -0.09 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 3fk6 n VAL 20 Cb 0.36 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 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 0.98 -1.41 0.18 7.63 0.00 0.75 -3.31 105.19 110.01 3fk6 n GLY 21 Ca 0.03 -1.57 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 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 0.00 1.23 -0.40 -0.61 2.10 -1.85 -1.69 117.51 116.29 3fk6 h ILE 22 Ca 0.00 -0.77 -0.07 0.00 1.08 0.00 0.00 64.86 65.10 3fk6 h ILE 22 Cb 0.00 1.09 -0.02 0.00 -1.09 0.00 0.00 36.82 36.81 3fk6 h ILE 22 CO 0.00 0.26 -0.04 -0.33 -1.08 0.00 0.00 178.15 176.96 3fk6 h GLU 23 N 0.38 0.66 0.00 2.19 5.08 -1.98 -2.04 114.58 118.87 3fk6 h GLU 23 Ca 0.10 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3fk6 h GLU 23 Cb 0.32 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3fk6 h GLU 23 CO 0.00 0.71 0.00 0.41 -1.00 0.00 0.00 179.01 179.13 3fk6 n GLY 24 N -0.67 -1.53 3.68 -3.84 0.00 -1.15 -4.79 105.19 96.89 3fk6 n GLY 24 Ca 0.02 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.72 4.24 0.06 0.99 2.96 -0.65 -4.91 118.68 117.65 3fk6 s LEU 25 Ca 0.11 1.71 0.01 0.00 -0.22 0.00 0.00 54.13 55.75 3fk6 s LEU 25 Cb 0.15 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.25 3fk6 s LEU 25 CO 0.53 -0.60 -0.06 0.42 -1.32 0.00 0.00 176.35 175.32 3fk6 s THR 26 N 2.48 0.51 0.35 3.68 -4.23 -1.26 -5.00 115.64 112.17 3fk6 s THR 26 Ca 0.54 -1.48 0.09 0.00 -1.18 0.00 0.00 61.69 59.65 3fk6 s THR 26 Cb -0.22 -1.10 0.10 0.00 1.34 0.00 0.00 72.50 72.61 3fk6 s THR 26 CO 0.19 -0.66 1.82 0.71 -0.54 0.00 0.00 174.62 176.13 3fk6 h THR 27 N 3.75 1.25 -0.42 3.99 1.35 -1.95 -2.02 112.91 118.85 3fk6 h THR 27 Ca -0.35 -1.17 -0.04 0.00 -0.55 0.00 0.00 66.41 64.30 3fk6 h THR 27 Cb 1.18 1.51 -0.02 0.00 -1.73 0.00 0.00 68.15 69.09 3fk6 h THR 27 CO 0.53 0.35 0.12 -0.09 -0.25 0.00 0.00 175.52 176.18 3fk6 h ARG 28 N 0.15 0.67 -0.54 4.72 2.43 -1.99 0.03 114.38 119.86 3fk6 h ARG 28 Ca 0.02 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 58.99 3fk6 h ARG 28 Cb 0.60 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 3fk6 h ARG 28 CO 0.04 0.67 0.14 0.87 -1.51 0.00 0.00 179.97 180.18 3fk6 h LYS 29 N 0.55 0.81 -0.62 0.20 1.57 -1.84 -1.44 116.57 115.80 3fk6 h LYS 29 Ca 0.14 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 3fk6 h LYS 29 Cb 0.29 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3fk6 h LYS 29 CO -0.00 0.72 0.20 1.25 -0.57 0.00 0.00 179.45 181.05 3fk6 h LEU 30 N 0.79 0.90 0.23 2.94 5.85 -0.91 0.43 115.31 125.54 3fk6 h LEU 30 Ca 0.18 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3fk6 h LEU 30 Cb 0.27 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3fk6 h LEU 30 CO -0.00 0.86 -0.15 0.00 -0.34 0.00 0.00 178.44 178.81 3fk6 h ALA 31 N 1.07 -0.36 -0.63 1.25 0.00 -0.38 0.31 119.26 120.52 3fk6 h ALA 31 Ca 0.20 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3fk6 h ALA 31 Cb 0.29 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3fk6 h ALA 31 CO -0.01 -0.71 0.23 -0.56 0.00 0.00 0.00 179.25 178.20 3fk6 h GLN 32 N -0.37 0.93 -0.73 0.00 3.07 -1.12 0.68 115.11 117.56 3fk6 h GLN 32 Ca -0.02 -0.16 0.07 0.00 0.09 0.00 0.00 58.65 58.63 3fk6 h GLN 32 Cb 0.32 -0.16 -0.06 0.00 0.08 0.00 0.00 27.48 27.66 3fk6 h GLN 32 CO 0.01 0.77 0.42 -0.22 0.09 0.00 0.00 178.83 179.90 3fk6 h LYS 33 N 0.91 0.73 -0.00 0.06 1.63 0.54 0.60 116.57 121.04 3fk6 h LYS 33 Ca 0.21 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 3fk6 h LYS 33 Cb 0.21 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 3fk6 h LYS 33 CO -0.02 0.49 -0.22 1.28 -3.45 0.00 0.00 179.45 177.53 3fk6 n LEU 34 N -4.75 0.56 -3.47 5.20 4.77 0.10 -4.94 117.00 114.47 3fk6 n LEU 34 Ca 0.10 -0.01 -0.19 0.00 -0.03 0.00 0.00 56.01 55.89 3fk6 n LEU 34 Cb 0.19 -0.22 0.09 0.00 -2.33 0.00 0.00 43.42 41.15 3fk6 n LEU 34 CO 0.29 0.11 0.14 0.61 -1.33 0.00 0.00 177.39 177.21 3fk6 n GLY 35 N 1.37 -0.40 3.32 -0.72 0.00 0.22 -5.01 105.19 103.96 3fk6 n GLY 35 Ca 0.11 0.14 -0.17 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.35 0.96 0.31 1.61 -7.23 -0.28 -5.00 120.40 107.41 3fk6 s VAL 36 Ca 0.14 -2.02 -0.28 0.00 -1.81 0.00 0.00 61.98 58.01 3fk6 s VAL 36 Cb -0.06 -2.36 -0.09 0.00 0.56 0.00 0.00 36.38 34.42 3fk6 s VAL 36 CO 0.73 -0.30 1.05 -1.61 -0.31 0.00 0.00 175.10 174.66 3fk6 s GLU 37 N -3.88 4.53 0.19 4.82 8.01 -1.26 -4.37 118.70 126.72 3fk6 s GLU 37 Ca 0.29 1.64 -0.12 0.00 0.01 0.00 0.00 54.97 56.79 3fk6 s GLU 37 Cb 0.06 -2.99 0.18 0.00 -4.31 0.00 0.00 34.13 27.07 3fk6 s GLU 37 CO 0.09 0.15 1.76 1.96 0.01 0.00 0.00 175.26 179.23 3fk6 h GLN 38 N 3.43 0.39 -0.70 1.61 4.20 -1.96 -0.94 115.11 121.15 3fk6 h GLN 38 Ca -0.47 -0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.35 3fk6 h GLN 38 Cb 1.21 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.86 3fk6 h GLN 38 CO 0.66 0.26 0.47 -1.35 -0.67 0.00 0.00 178.83 178.19 3fk6 h PRO 39 N 0.41 0.39 0.37 1.46 0.11 -2.00 0.19 132.00 132.93 3fk6 h PRO 39 Ca 0.24 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.31 3fk6 h PRO 39 Cb 0.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.26 3fk6 h PRO 39 CO -0.23 0.26 -0.18 1.15 -0.21 0.00 0.00 178.00 178.80 3fk6 h THR 40 N 0.41 0.54 -0.83 -1.15 2.02 -1.58 -3.20 112.91 109.13 3fk6 h THR 40 Ca 0.33 -0.60 0.05 0.00 0.77 0.00 0.00 66.41 66.97 3fk6 h THR 40 Cb 0.74 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 67.90 3fk6 h THR 40 CO -0.10 0.10 0.54 0.25 0.37 0.00 0.00 175.52 176.68 3fk6 h LEU 41 N -0.88 0.83 -0.97 2.58 5.85 -0.69 -3.13 115.31 118.91 3fk6 h LEU 41 Ca -0.05 -0.00 0.22 0.00 0.84 0.00 0.00 57.88 58.89 3fk6 h LEU 41 Cb 0.54 -0.18 -0.18 0.00 0.37 0.00 0.00 40.66 41.20 3fk6 h LEU 41 CO 0.08 0.55 -0.13 0.22 -0.34 0.00 0.00 178.44 178.83 3fk6 h TYR 42 N 0.96 -0.32 0.00 1.25 5.03 -0.63 0.68 116.97 123.94 3fk6 h TYR 42 Ca 0.34 0.08 0.00 0.00 2.58 0.00 0.00 58.73 61.73 3fk6 h TYR 42 Cb 0.14 0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.72 3fk6 h TYR 42 CO -0.00 -0.42 0.00 0.91 -1.32 0.00 0.00 178.16 177.33 3fk6 n TRP 43 N -5.56 0.00 -0.13 -3.82 7.02 -1.18 -1.51 117.44 112.25 3fk6 n TRP 43 Ca 0.18 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.39 3fk6 n TRP 43 Cb 0.60 -0.40 -0.11 0.00 -2.42 0.00 0.00 31.31 28.98 3fk6 n TRP 43 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 3fk6 n HIS 44 N -1.40 0.10 -3.76 -5.99 8.25 0.22 -4.84 115.22 107.80 3fk6 n HIS 44 Ca 0.05 0.04 -0.30 0.00 -0.26 0.00 0.00 57.72 57.25 3fk6 n HIS 44 Cb 0.15 -1.01 -0.15 0.00 1.12 0.00 0.00 29.99 30.10 3fk6 n HIS 44 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3fk6 s VAL 45 N -2.50 1.02 0.32 1.59 -7.23 -0.17 -4.98 120.40 108.45 3fk6 s VAL 45 Ca -0.37 -1.50 0.17 0.00 -1.81 0.00 0.00 61.98 58.47 3fk6 s VAL 45 Cb 0.13 -1.77 0.14 0.00 0.56 0.00 0.00 36.38 35.44 3fk6 s VAL 45 CO 0.52 -0.67 1.85 0.11 -0.31 0.00 0.00 175.10 176.60 3fk6 h LYS 46 N 8.03 0.00 -3.03 4.82 1.57 -1.53 -3.36 116.57 123.08 3fk6 h LYS 46 Ca -0.13 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3fk6 h LYS 46 Cb 1.01 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.29 3fk6 h LYS 46 CO 0.48 0.33 0.23 0.54 -0.57 0.00 0.00 179.45 180.46 3fk6 s ASN 47 N -6.64 -0.16 0.25 0.86 2.20 -1.26 -4.98 114.94 105.21 3fk6 s ASN 47 Ca -0.02 -0.80 -0.04 0.00 -0.94 0.00 0.00 52.86 51.06 3fk6 s ASN 47 Cb 0.13 0.77 0.40 0.00 -2.00 0.00 0.00 41.25 40.55 3fk6 s ASN 47 CO 0.69 -1.46 1.83 0.50 -2.94 0.00 0.00 177.10 175.72 3fk6 h LYS 48 N 2.01 0.86 -0.22 3.55 3.64 -1.95 -0.94 116.57 123.51 3fk6 h LYS 48 Ca -0.24 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.15 3fk6 h LYS 48 Cb 1.25 -0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 32.82 3fk6 h LYS 48 CO 0.29 0.57 -0.16 -0.09 -2.27 0.00 0.00 179.45 177.79 3fk6 h ARG 49 N 0.88 -0.15 -0.74 1.90 9.65 -1.99 0.15 114.38 124.09 3fk6 h ARG 49 Ca 0.41 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.27 3fk6 h ARG 49 Cb 0.32 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.90 3fk6 h ARG 49 CO -0.23 -0.10 0.37 0.00 2.80 0.00 0.00 179.97 182.81 3fk6 h ALA 50 N 0.99 0.95 -0.04 2.80 0.00 -1.73 -0.91 119.26 121.31 3fk6 h ALA 50 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fk6 h ALA 50 Cb 0.34 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3fk6 h ALA 50 CO -0.31 0.50 0.01 1.25 0.00 0.00 0.00 179.25 180.69 3fk6 h LEU 51 N 1.03 -0.00 -0.68 0.00 5.85 -0.40 0.45 115.31 121.55 3fk6 h LEU 51 Ca 0.26 0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.00 3fk6 h LEU 51 Cb 0.10 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3fk6 h LEU 51 CO -0.03 0.01 0.44 -0.07 -0.34 0.00 0.00 178.44 178.44 3fk6 h LEU 52 N 0.02 0.73 -0.66 2.25 3.38 -0.44 0.22 115.31 120.81 3fk6 h LEU 52 Ca 0.02 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3fk6 h LEU 52 Cb 0.01 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3fk6 h LEU 52 CO -0.02 0.51 0.44 0.44 0.09 0.00 0.00 178.44 179.90 3fk6 h ASP 53 N 0.87 0.76 -0.57 -0.43 3.32 -0.76 0.21 116.42 119.82 3fk6 h ASP 53 Ca 0.27 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 3fk6 h ASP 53 Cb -0.02 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3fk6 h ASP 53 CO -0.09 0.56 0.18 0.00 -1.72 0.00 0.00 179.24 178.17 3fk6 h ALA 54 N 1.24 0.74 -0.27 3.45 0.00 -0.13 -1.84 119.26 122.45 3fk6 h ALA 54 Ca 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3fk6 h ALA 54 Cb -0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3fk6 h ALA 54 CO -0.05 0.40 0.13 -0.07 0.00 0.00 0.00 179.25 179.66 3fk6 h LEU 55 N 0.80 0.35 -0.34 0.00 4.07 0.15 -0.20 115.31 120.13 3fk6 h LEU 55 Ca 0.18 -0.12 0.04 0.00 0.08 0.00 0.00 57.88 58.06 3fk6 h LEU 55 Cb 0.27 -0.09 -0.04 0.00 1.08 0.00 0.00 40.66 41.89 3fk6 h LEU 55 CO -0.01 0.37 0.12 0.00 -1.08 0.00 0.00 178.44 177.84 3fk6 h ALA 56 N 0.99 0.40 -0.04 1.53 0.00 -0.48 0.15 119.26 121.81 3fk6 h ALA 56 Ca 0.09 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3fk6 h ALA 56 Cb 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3fk6 h ALA 56 CO -0.01 -0.28 -0.05 0.28 0.00 0.00 0.00 179.25 179.19 3fk6 h VAL 57 N 0.26 0.86 -0.75 0.00 2.07 -1.11 -2.41 116.25 115.18 3fk6 h VAL 57 Ca 0.16 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.63 3fk6 h VAL 57 Cb 0.13 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3fk6 h VAL 57 CO -0.16 0.00 0.28 -0.08 0.02 0.00 0.00 177.57 177.63 3fk6 h GLU 58 N -0.07 1.12 -0.83 1.57 4.57 -0.60 -1.02 114.58 119.32 3fk6 h GLU 58 Ca 0.03 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.00 3fk6 h GLU 58 Cb 0.11 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.48 3fk6 h GLU 58 CO -0.08 0.92 0.49 0.82 -1.18 0.00 0.00 179.01 179.98 3fk6 h ILE 59 N 1.09 1.24 -0.11 2.32 2.04 -0.48 -0.08 117.51 123.53 3fk6 h ILE 59 Ca 0.25 -0.53 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 3fk6 h ILE 59 Cb 0.23 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3fk6 h ILE 59 CO -0.02 0.25 -0.15 -0.07 0.00 0.00 0.00 178.15 178.17 3fk6 h LEU 60 N 1.15 0.32 -1.64 1.44 3.38 -1.17 0.12 115.31 118.90 3fk6 h LEU 60 Ca 0.30 -0.51 0.14 0.00 0.09 0.00 0.00 57.88 57.89 3fk6 h LEU 60 Cb -0.03 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3fk6 h LEU 60 CO -0.05 0.77 0.47 0.00 0.09 0.00 0.00 178.44 179.71 3fk6 h ALA 61 N 0.56 2.13 0.05 1.53 0.00 -0.89 0.52 119.26 123.17 3fk6 h ALA 61 Ca 0.01 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.60 3fk6 h ALA 61 Cb 0.70 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3fk6 h ALA 61 CO 0.03 -0.31 -1.83 0.54 0.00 0.00 0.00 179.25 177.68 3fk6 n ARG 62 N -4.46 0.68 0.00 0.00 1.74 -0.07 -4.69 116.66 109.86 3fk6 n ARG 62 Ca 0.13 0.28 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 3fk6 n ARG 62 Cb 0.50 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 3fk6 n ARG 62 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3fk6 n HIS 63 N -3.22 0.00 -2.87 -1.55 8.25 0.02 -4.83 115.22 111.02 3fk6 n HIS 63 Ca -0.23 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.79 3fk6 n HIS 63 Cb 1.05 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.15 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 -1.53 3.85 0.47 -0.41 2.20 0.18 -4.44 119.74 120.06 3fk6 s LYS 64 Ca 0.00 -2.09 0.26 0.00 -0.36 0.00 0.00 55.97 53.79 3fk6 s LYS 64 Cb 0.00 -5.08 1.08 0.00 -1.51 0.00 0.00 37.83 32.32 3fk6 s LYS 64 CO 0.00 -1.85 1.89 0.38 -0.36 0.00 0.00 175.35 175.41 3fk6 h ASP 65 N 8.07 0.00 -3.31 1.43 -0.00 -1.85 -3.44 116.42 117.33 3fk6 h ASP 65 Ca 0.26 0.00 -0.64 0.00 -0.00 0.00 0.00 57.03 56.64 3fk6 h ASP 65 Cb 0.94 0.00 -0.18 0.00 -0.00 0.00 0.00 39.33 40.09 3fk6 h ASP 65 CO 1.23 0.17 -0.63 -0.47 -0.00 0.00 0.00 179.24 179.54 3fk6 s TYR 66 N -3.72 3.12 0.00 4.15 6.14 -1.26 -4.91 117.35 120.87 3fk6 s TYR 66 Ca 0.00 -0.06 0.00 0.00 0.64 0.00 0.00 57.07 57.65 3fk6 s TYR 66 Cb 0.10 -1.94 0.00 0.00 0.42 0.00 0.00 41.96 40.54 3fk6 s TYR 66 CO 0.61 0.16 0.00 0.43 0.64 0.00 0.00 175.55 177.39 3fk6 n SER 67 N 3.14 0.00 -4.81 4.32 7.64 -1.26 -4.75 113.62 117.90 3fk6 n SER 67 Ca -0.17 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.36 3fk6 n SER 67 Cb 0.53 0.15 -0.07 0.00 -1.01 0.00 0.00 64.21 63.81 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 -4.48 4.03 0.50 -3.43 1.43 -1.26 -4.93 118.68 110.54 3fk6 s LEU 68 Ca 0.00 0.24 -0.19 0.00 -1.03 0.00 0.00 54.13 53.15 3fk6 s LEU 68 Cb 0.00 -2.23 -0.08 0.00 0.03 0.00 0.00 46.19 43.91 3fk6 s LEU 68 CO 0.00 0.31 1.02 -2.16 0.23 0.00 0.00 176.35 175.75 3fk6 s PRO 69 N -1.52 3.81 0.65 1.29 0.04 -1.26 -5.03 135.00 132.98 3fk6 s PRO 69 Ca 0.21 1.24 -0.11 0.00 0.04 0.00 0.00 61.00 62.38 3fk6 s PRO 69 Cb -0.12 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 3fk6 s PRO 69 CO 0.11 -0.41 1.05 0.00 0.04 0.00 0.00 177.00 177.79 3fk6 s ALA 70 N -2.19 3.02 -0.10 8.56 0.00 -1.26 -4.93 121.76 124.86 3fk6 s ALA 70 Ca 0.65 -0.24 -0.31 0.00 0.00 0.00 0.00 51.96 52.06 3fk6 s ALA 70 Cb -0.14 -3.02 -0.08 0.00 0.00 0.00 0.00 23.12 19.88 3fk6 s ALA 70 CO 0.23 -0.89 2.06 0.00 0.00 0.00 0.00 175.76 177.17 3fk6 n ALA 71 N -2.85 1.49 -0.08 0.00 0.00 -1.26 -1.02 120.51 116.79 3fk6 n ALA 71 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3fk6 n ALA 71 Cb 0.56 -2.73 0.00 0.00 0.00 0.00 0.00 19.45 17.28 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 5.10 0.70 3.77 0.00 0.00 -1.26 -5.05 105.19 108.45 3fk6 n GLY 72 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.75 4.19 0.68 1.61 2.12 -0.19 -5.00 118.70 121.35 3fk6 s GLU 73 Ca 0.00 2.09 -0.12 0.00 0.36 0.00 0.00 54.97 57.30 3fk6 s GLU 73 Cb 0.00 -2.89 0.00 0.00 0.26 0.00 0.00 34.13 31.50 3fk6 s GLU 73 CO 0.00 -0.29 1.06 -1.54 -0.54 0.00 0.00 175.26 173.96 3fk6 s SER 74 N -0.73 5.41 0.28 -1.70 1.04 -1.26 -4.88 113.70 111.85 3fk6 s SER 74 Ca 0.53 1.67 0.06 0.00 0.48 0.00 0.00 55.95 58.69 3fk6 s SER 74 Cb -0.37 -2.50 0.40 0.00 0.10 0.00 0.00 66.02 63.65 3fk6 s SER 74 CO 0.48 -1.43 1.66 4.11 0.98 0.00 0.00 173.24 179.05 3fk6 h TRP 75 N -0.51 0.28 -0.57 5.02 5.08 -1.97 -0.68 115.95 122.61 3fk6 h TRP 75 Ca -0.44 -0.08 0.02 0.00 1.08 0.00 0.00 58.89 59.46 3fk6 h TRP 75 Cb 1.21 -0.06 -0.04 0.00 -3.00 0.00 0.00 29.16 27.28 3fk6 h TRP 75 CO 0.61 0.66 0.35 1.96 -1.28 0.00 0.00 178.44 180.74 3fk6 h GLN 76 N 0.19 0.68 -0.43 0.12 7.50 -1.98 -0.16 115.11 121.02 3fk6 h GLN 76 Ca 0.01 -0.04 -0.13 0.00 0.50 0.00 0.00 58.65 58.99 3fk6 h GLN 76 Cb 0.89 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 28.26 3fk6 h GLN 76 CO 0.07 0.45 -0.23 1.03 -1.50 0.00 0.00 178.83 178.65 3fk6 h SER 77 N 0.70 0.91 -0.39 1.46 0.87 -1.87 -0.76 113.55 114.47 3fk6 h SER 77 Ca 0.23 -0.34 0.03 0.00 -1.23 0.00 0.00 61.79 60.47 3fk6 h SER 77 Cb 0.00 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.68 3fk6 h SER 77 CO -0.09 1.10 0.19 0.15 -0.53 0.00 0.00 176.83 177.66 3fk6 h PHE 78 N 0.77 0.36 -0.42 2.24 3.57 -0.51 0.62 116.94 123.57 3fk6 h PHE 78 Ca 0.10 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 3fk6 h PHE 78 Cb 0.78 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 3fk6 h PHE 78 CO 0.05 0.19 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.08 3fk6 h LEU 79 N 0.39 0.87 -0.44 0.59 3.38 -0.84 -1.40 115.31 117.87 3fk6 h LEU 79 Ca 0.16 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3fk6 h LEU 79 Cb 0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3fk6 h LEU 79 CO -0.11 1.07 0.20 -0.09 0.09 0.00 0.00 178.44 179.59 3fk6 h ARG 80 N 0.67 0.63 -0.24 1.13 2.43 -0.85 -1.92 114.38 116.23 3fk6 h ARG 80 Ca 0.10 -0.10 -0.17 0.00 -0.81 0.00 0.00 59.98 59.00 3fk6 h ARG 80 Cb 0.72 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3fk6 h ARG 80 CO 0.05 0.55 -0.54 -0.91 -1.51 0.00 0.00 179.97 177.61 3fk6 h ASN 81 N 0.56 0.80 -0.92 -3.80 2.35 -0.85 -1.83 115.58 111.90 3fk6 h ASN 81 Ca 0.15 -0.43 -0.01 0.00 -0.55 0.00 0.00 56.30 55.46 3fk6 h ASN 81 Cb 0.13 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.23 3fk6 h ASN 81 CO -0.02 1.18 0.54 0.78 -1.65 0.00 0.00 177.43 178.26 3fk6 h ASN 82 N 0.55 1.12 0.36 5.81 2.35 -1.13 -0.30 115.58 124.35 3fk6 h ASN 82 Ca 0.01 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 3fk6 h ASN 82 Cb 1.12 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.21 3fk6 h ASN 82 CO 0.11 0.87 -0.17 0.00 -1.65 0.00 0.00 177.43 176.59 3fk6 h ALA 83 N 1.32 -0.49 -0.58 -0.83 0.00 -1.19 -0.52 119.26 116.97 3fk6 h ALA 83 Ca 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3fk6 h ALA 83 Cb -0.03 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3fk6 h ALA 83 CO -0.06 -0.63 0.28 0.52 0.00 0.00 0.00 179.25 179.36 3fk6 h MET 84 N -0.79 0.81 -0.31 0.00 2.86 -1.28 0.32 114.93 116.55 3fk6 h MET 84 Ca -0.05 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.41 3fk6 h MET 84 Cb 0.52 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 3fk6 h MET 84 CO 0.08 0.63 -0.13 1.03 1.06 0.00 0.00 176.91 179.59 3fk6 h SER 85 N 0.81 0.65 -0.01 1.22 0.87 -1.05 0.50 113.55 116.55 3fk6 h SER 85 Ca 0.20 -0.39 0.01 0.00 -1.23 0.00 0.00 61.79 60.38 3fk6 h SER 85 Cb 0.09 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 3fk6 h SER 85 CO -0.03 0.90 -0.03 0.15 -0.53 0.00 0.00 176.83 177.29 3fk6 h PHE 86 N 0.40 -0.09 -0.05 2.24 3.57 -0.47 -1.69 116.94 120.86 3fk6 h PHE 86 Ca 0.07 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.61 3fk6 h PHE 86 Cb 0.64 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.38 3fk6 h PHE 86 CO 0.06 -0.06 -0.17 -0.09 -2.23 0.00 0.00 178.31 175.82 3fk6 h ARG 87 N -0.06 -0.24 -0.73 1.11 2.43 -0.20 -1.17 114.38 115.53 3fk6 h ARG 87 Ca 0.02 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.29 3fk6 h ARG 87 Cb 0.08 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.62 3fk6 h ARG 87 CO -0.04 -0.16 0.38 0.00 -1.51 0.00 0.00 179.97 178.64 3fk6 h ARG 88 N -0.25 0.63 -0.50 0.20 3.08 -0.72 -1.55 114.38 115.28 3fk6 h ARG 88 Ca 0.07 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3fk6 h ARG 88 Cb 0.35 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3fk6 h ARG 88 CO -0.20 0.42 0.21 0.00 -1.07 0.00 0.00 179.97 179.33 3fk6 h ALA 89 N 1.43 0.65 0.00 0.04 0.00 -0.86 -2.68 119.26 117.84 3fk6 h ALA 89 Ca 0.35 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3fk6 h ALA 89 Cb 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3fk6 h ALA 89 CO -0.25 0.24 -0.28 -0.07 0.00 0.00 0.00 179.25 178.89 3fk6 h LEU 90 N 0.67 0.00 -0.13 0.00 3.38 -0.62 -2.59 115.31 116.02 3fk6 h LEU 90 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3fk6 h LEU 90 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3fk6 h LEU 90 CO -0.02 0.28 0.00 -0.07 0.09 0.00 0.00 178.44 178.73 3fk6 h LEU 91 N 0.00 0.00 -1.81 1.67 3.38 -1.01 -3.28 115.31 114.26 3fk6 h LEU 91 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3fk6 h LEU 91 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3fk6 h LEU 91 CO 0.04 0.00 0.05 -0.09 0.09 0.00 0.00 178.44 178.53 3fk6 h ARG 92 N 0.00 0.17 -5.82 1.13 9.65 -1.14 -3.43 114.38 114.93 3fk6 h ARG 92 Ca 0.00 -0.01 -0.50 0.00 -1.10 0.00 0.00 59.98 58.37 3fk6 h ARG 92 Cb 0.75 -0.04 -0.20 0.00 -1.39 0.00 0.00 29.97 29.09 3fk6 h ARG 92 CO 0.00 0.15 -0.80 0.71 2.80 0.00 0.00 179.97 182.83 3fk6 s TYR 93 N -5.13 1.60 0.33 2.20 2.02 -1.24 -5.08 117.35 112.06 3fk6 s TYR 93 Ca -0.06 -0.46 -0.29 0.00 -0.37 0.00 0.00 57.07 55.89 3fk6 s TYR 93 Cb 0.17 -0.86 -0.12 0.00 -0.40 0.00 0.00 41.96 40.75 3fk6 s TYR 93 CO 0.69 0.18 1.48 -2.13 -1.57 0.00 0.00 175.55 174.21 3fk6 n ARG 94 N 0.90 2.54 -2.40 -0.62 0.63 -1.26 -1.43 116.66 115.03 3fk6 n ARG 94 Ca -0.18 0.90 -0.13 0.00 -0.92 0.00 0.00 57.85 57.52 3fk6 n ARG 94 Cb 0.55 -2.61 -0.01 0.00 0.45 0.00 0.00 32.46 30.84 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 1.18 -3.96 -0.33 6.15 8.00 -1.26 -4.74 116.55 121.58 3fk6 n ASP 95 Ca 0.05 0.19 -0.01 0.00 0.71 0.00 0.00 54.79 55.73 3fk6 n ASP 95 Cb 0.37 -3.38 0.11 0.00 -0.02 0.00 0.00 41.12 38.21 3fk6 n ASP 95 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3fk6 h GLY 96 N 0.00 1.31 1.01 0.44 0.00 -1.34 -0.85 103.07 103.64 3fk6 h GLY 96 Ca -0.30 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 46.50 3fk6 h GLY 96 CO 0.36 0.40 0.00 0.00 0.00 0.00 0.00 176.54 177.30 3fk6 h ALA 97 N 1.36 0.67 -0.45 3.60 0.00 -1.84 -2.07 119.26 120.53 3fk6 h ALA 97 Ca 0.35 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3fk6 h ALA 97 Cb -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3fk6 h ALA 97 CO -0.11 0.47 0.18 0.87 0.00 0.00 0.00 179.25 180.66 3fk6 h LYS 98 N 0.73 0.64 -0.50 0.00 1.57 -1.81 -2.11 116.57 115.10 3fk6 h LYS 98 Ca 0.14 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 3fk6 h LYS 98 Cb 0.51 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3fk6 h LYS 98 CO 0.02 0.52 -0.10 0.28 -0.57 0.00 0.00 179.45 179.61 3fk6 h VAL 99 N 0.63 1.26 -0.05 0.50 2.07 -0.77 -3.03 116.25 116.86 3fk6 h VAL 99 Ca 0.16 -1.22 -0.10 0.00 0.82 0.00 0.00 66.70 66.36 3fk6 h VAL 99 Cb 0.12 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3fk6 h VAL 99 CO -0.02 0.42 -0.42 -0.74 0.02 0.00 0.00 177.57 176.83 3fk6 h HIS 100 N 0.82 0.13 -2.05 1.57 -0.00 -0.74 -3.43 115.15 111.44 3fk6 h HIS 100 Ca 0.13 -0.04 -0.64 0.00 -0.00 0.00 0.00 60.37 59.83 3fk6 h HIS 100 Cb 0.63 -0.03 0.08 0.00 -0.00 0.00 0.00 27.41 28.09 3fk6 h HIS 100 CO 0.04 0.52 0.26 1.28 -0.00 0.00 0.00 177.93 180.03 3fk6 n LEU 101 N -4.02 1.63 -1.38 0.26 4.77 -0.90 -2.45 117.00 114.90 3fk6 n LEU 101 Ca -0.02 1.15 -0.13 0.00 -0.03 0.00 0.00 56.01 56.98 3fk6 n LEU 101 Cb 0.47 -1.24 -0.01 0.00 -2.33 0.00 0.00 43.42 40.31 3fk6 n LEU 101 CO 0.41 -1.29 -0.16 0.61 -1.33 0.00 0.00 177.39 175.63 3fk6 n GLY 102 N 1.90 0.09 3.07 -0.72 0.00 -1.26 -5.01 105.19 103.25 3fk6 n GLY 102 Ca 0.14 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.61 2.22 0.50 2.61 -4.23 -1.03 -5.02 115.64 108.09 3fk6 s THR 103 Ca 0.00 -1.71 -0.17 0.00 -1.18 0.00 0.00 61.69 58.63 3fk6 s THR 103 Cb 0.00 -2.35 -0.08 0.00 1.34 0.00 0.00 72.50 71.41 3fk6 s THR 103 CO 0.00 -0.10 0.97 -0.13 -0.54 0.00 0.00 174.62 174.82 3fk6 s ARG 104 N 1.08 3.97 0.54 3.99 1.81 -1.26 -4.99 118.95 124.09 3fk6 s ARG 104 Ca -0.07 0.95 -0.19 0.00 -1.72 0.00 0.00 55.73 54.70 3fk6 s ARG 104 Cb -0.20 -2.15 -0.09 0.00 -0.45 0.00 0.00 34.95 32.06 3fk6 s ARG 104 CO -0.05 -0.23 0.58 -2.30 -0.68 0.00 0.00 175.30 172.62 3fk6 n PRO 105 N -1.47 0.60 -1.87 3.54 -0.02 -1.26 -4.96 135.00 129.55 3fk6 n PRO 105 Ca 0.06 0.23 -0.31 0.00 -2.02 0.00 0.00 63.50 61.47 3fk6 n PRO 105 Cb 0.54 -1.72 0.02 0.00 -0.02 0.00 0.00 33.50 32.33 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 -1.11 5.91 0.54 2.55 -1.08 -1.26 -4.92 116.67 117.29 3fk6 s ASP 106 Ca 0.68 1.31 0.19 0.00 -0.52 0.00 0.00 52.55 54.21 3fk6 s ASP 106 Cb -0.48 -2.25 1.40 0.00 -1.46 0.00 0.00 42.92 40.13 3fk6 s ASP 106 CO 0.55 -1.06 2.17 -0.33 0.52 0.00 0.00 175.17 177.01 3fk6 h GLU 107 N -0.46 0.00 0.00 4.34 5.08 -2.01 -0.99 114.58 120.54 3fk6 h GLU 107 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3fk6 h GLU 107 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3fk6 h GLU 107 CO 0.63 0.01 0.00 1.63 -1.00 0.00 0.00 179.01 180.27 3fk6 n LYS 108 N -4.36 0.77 0.00 2.33 5.02 -1.26 -1.90 118.16 118.76 3fk6 n LYS 108 Ca -0.03 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.27 3fk6 n LYS 108 Cb 0.09 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 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 -0.92 0.99 -0.29 1.97 1.13 -0.39 -4.69 117.38 115.19 3fk6 n GLN 109 Ca 0.15 -0.45 0.02 0.00 -1.94 0.00 0.00 57.00 54.79 3fk6 n GLN 109 Cb 0.07 -0.92 0.16 0.00 0.11 0.00 0.00 30.24 29.66 3fk6 n GLN 109 CO 0.00 0.00 0.00 1.88 -1.44 0.00 0.00 177.06 177.50 3fk6 h TYR 110 N 0.22 0.85 -0.33 1.08 -1.99 -1.27 0.94 116.97 116.47 3fk6 h TYR 110 Ca 0.00 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.68 3fk6 h TYR 110 Cb 0.05 -0.26 -0.02 0.00 2.00 0.00 0.00 36.73 38.51 3fk6 h TYR 110 CO 0.00 0.36 -0.12 0.22 -0.00 0.00 0.00 178.16 178.62 3fk6 h ASP 111 N 0.80 0.55 -0.20 3.88 1.82 -1.84 0.57 116.42 122.01 3fk6 h ASP 111 Ca 0.38 -0.15 -0.05 0.00 -0.39 0.00 0.00 57.03 56.83 3fk6 h ASP 111 Cb 0.33 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.18 3fk6 h ASP 111 CO -0.23 0.71 -0.05 0.74 -1.61 0.00 0.00 179.24 178.79 3fk6 h THR 112 N 0.53 1.29 -0.88 2.25 2.02 -1.51 -1.88 112.91 114.72 3fk6 h THR 112 Ca 0.10 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.22 3fk6 h THR 112 Cb 0.51 1.57 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 3fk6 h THR 112 CO 0.03 0.32 0.50 0.58 0.37 0.00 0.00 175.52 177.31 3fk6 h VAL 113 N 0.10 1.25 -0.44 3.16 2.07 -0.43 0.13 116.25 122.10 3fk6 h VAL 113 Ca 0.05 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 3fk6 h VAL 113 Cb 0.51 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 3fk6 h VAL 113 CO 0.02 0.28 0.12 -0.08 0.02 0.00 0.00 177.57 177.93 3fk6 h GLU 114 N 1.22 0.69 -0.68 1.57 4.57 -0.84 0.53 114.58 121.63 3fk6 h GLU 114 Ca 0.31 -0.16 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3fk6 h GLU 114 Cb 0.01 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 3fk6 h GLU 114 CO -0.05 0.68 0.41 1.15 -1.18 0.00 0.00 179.01 180.02 3fk6 h THR 115 N 0.57 1.20 -0.59 0.32 2.02 -0.76 0.38 112.91 116.05 3fk6 h THR 115 Ca 0.14 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 3fk6 h THR 115 Cb 0.29 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 3fk6 h THR 115 CO -0.00 0.20 0.31 1.56 0.37 0.00 0.00 175.52 177.96 3fk6 h GLN 116 N 0.93 0.84 -0.27 6.66 4.20 -0.33 0.23 115.11 127.37 3fk6 h GLN 116 Ca 0.25 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 3fk6 h GLN 116 Cb -0.03 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 3fk6 h GLN 116 CO -0.05 0.66 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.69 3fk6 h LEU 117 N 0.81 0.48 -0.45 1.46 3.38 -0.37 -1.74 115.31 118.88 3fk6 h LEU 117 Ca 0.21 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3fk6 h LEU 117 Cb 0.08 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3fk6 h LEU 117 CO -0.03 0.68 0.27 -0.09 0.09 0.00 0.00 178.44 179.36 3fk6 h ARG 118 N 0.26 0.53 -0.50 1.13 2.43 0.08 -1.17 114.38 117.14 3fk6 h ARG 118 Ca 0.08 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.30 3fk6 h ARG 118 Cb 0.44 -0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 29.80 3fk6 h ARG 118 CO 0.02 0.35 0.08 0.35 -1.51 0.00 0.00 179.97 179.26 3fk6 h PHE 119 N 0.55 0.12 -0.59 2.20 3.57 -0.34 0.20 116.94 122.65 3fk6 h PHE 119 Ca 0.18 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.72 3fk6 h PHE 119 Cb -0.00 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 3fk6 h PHE 119 CO -0.06 -0.03 0.38 0.52 -2.23 0.00 0.00 178.31 176.88 3fk6 h MET 120 N 0.21 0.74 -0.26 1.11 2.86 -0.44 -2.23 114.93 116.93 3fk6 h MET 120 Ca 0.25 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.77 3fk6 h MET 120 Cb 0.35 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 3fk6 h MET 120 CO -0.35 0.49 -0.17 1.79 1.06 0.00 0.00 176.91 179.73 3fk6 h THR 121 N 0.76 1.24 0.00 2.22 1.35 -0.07 -1.49 112.91 116.92 3fk6 h THR 121 Ca 0.22 -1.10 -0.00 0.00 -0.55 0.00 0.00 66.41 64.99 3fk6 h THR 121 Cb -0.05 1.23 -0.00 0.00 -1.73 0.00 0.00 68.15 67.61 3fk6 h THR 121 CO -0.07 0.35 -0.01 -0.33 -0.25 0.00 0.00 175.52 175.21 3fk6 h GLU 122 N 0.42 0.00 -0.56 4.72 5.08 -0.08 -1.38 114.58 122.78 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 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3fk6 h GLU 122 CO 0.04 0.01 0.00 0.09 -1.00 0.00 0.00 179.01 178.15 3fk6 n ASN 123 N -3.15 3.06 0.00 1.42 3.02 -0.60 -4.91 115.26 114.10 3fk6 n ASN 123 Ca -0.01 -2.08 0.00 0.00 -0.03 0.00 0.00 54.58 52.45 3fk6 n ASN 123 Cb 0.19 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 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 1.24 0.31 3.75 7.41 0.00 -0.52 -5.07 105.19 112.30 3fk6 n GLY 124 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.03 3.78 0.74 1.61 0.40 -0.98 -4.93 117.98 116.57 3fk6 s PHE 125 Ca 0.00 1.78 -0.11 0.00 -0.60 0.00 0.00 56.93 58.00 3fk6 s PHE 125 Cb 0.00 -3.13 0.04 0.00 0.51 0.00 0.00 43.02 40.44 3fk6 s PHE 125 CO 0.00 -0.04 1.09 -1.54 0.70 0.00 0.00 175.22 175.42 3fk6 s SER 126 N -0.69 4.74 0.25 1.36 1.04 -1.26 -3.92 113.70 115.22 3fk6 s SER 126 Ca 0.45 1.80 -0.04 0.00 0.48 0.00 0.00 55.95 58.64 3fk6 s SER 126 Cb -0.28 -2.52 0.38 0.00 0.10 0.00 0.00 66.02 63.71 3fk6 s SER 126 CO 0.34 -1.88 1.84 0.25 0.98 0.00 0.00 173.24 174.78 3fk6 h LEU 127 N -0.92 0.83 -0.48 2.42 7.12 -1.95 -0.08 115.31 122.25 3fk6 h LEU 127 Ca -0.44 0.03 -0.02 0.00 0.13 0.00 0.00 57.88 57.57 3fk6 h LEU 127 Cb 1.23 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 41.19 3fk6 h LEU 127 CO 0.53 0.51 0.20 -0.09 -0.13 0.00 0.00 178.44 179.46 3fk6 h ARG 128 N 0.95 0.71 -0.21 1.25 2.43 -1.99 -0.10 114.38 117.42 3fk6 h ARG 128 Ca 0.40 -0.12 -0.15 0.00 -0.81 0.00 0.00 59.98 59.30 3fk6 h ARG 128 Cb 0.25 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3fk6 h ARG 128 CO -0.20 0.62 -0.51 -0.44 -1.51 0.00 0.00 179.97 177.93 3fk6 h ASP 129 N 0.63 0.64 -0.56 -3.80 3.32 -1.77 -0.50 116.42 114.37 3fk6 h ASP 129 Ca 0.16 -0.33 -0.08 0.00 0.02 0.00 0.00 57.03 56.81 3fk6 h ASP 129 Cb 0.17 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3fk6 h ASP 129 CO -0.02 1.03 0.05 1.23 -1.72 0.00 0.00 179.24 179.82 3fk6 h GLY 130 N 1.04 1.03 0.88 2.75 0.00 -0.88 -0.16 103.07 107.73 3fk6 h GLY 130 Ca 0.02 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 3fk6 h GLY 130 CO 0.10 0.66 0.07 -2.00 0.00 0.00 0.00 176.54 175.38 3fk6 h LEU 131 N 0.84 0.39 -1.09 3.11 5.85 -0.87 -1.56 115.31 121.98 3fk6 h LEU 131 Ca 0.16 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 3fk6 h LEU 131 Cb 0.47 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3fk6 h LEU 131 CO 0.02 0.50 -0.04 1.88 -0.34 0.00 0.00 178.44 180.46 3fk6 h TYR 132 N 0.25 0.63 -0.29 1.25 0.05 -0.88 0.52 116.97 118.50 3fk6 h TYR 132 Ca 0.08 -0.08 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 3fk6 h TYR 132 Cb 0.26 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 3fk6 h TYR 132 CO 0.01 0.63 0.05 0.00 -1.05 0.00 0.00 178.16 177.79 3fk6 h ALA 133 N 1.40 0.39 -0.38 3.88 0.00 -0.84 0.97 119.26 124.68 3fk6 h ALA 133 Ca 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3fk6 h ALA 133 Cb 0.41 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3fk6 h ALA 133 CO 0.02 0.08 0.18 0.82 0.00 0.00 0.00 179.25 180.35 3fk6 h ILE 134 N 0.31 1.17 -0.75 0.00 2.04 -0.93 -1.27 117.51 118.07 3fk6 h ILE 134 Ca 0.09 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 3fk6 h ILE 134 Cb 0.34 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 3fk6 h ILE 134 CO 0.01 0.19 0.43 -0.07 0.00 0.00 0.00 178.15 178.71 3fk6 h LEU 135 N 0.48 0.93 -0.65 1.44 3.38 -0.74 -0.79 115.31 119.36 3fk6 h LEU 135 Ca 0.13 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3fk6 h LEU 135 Cb 0.13 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3fk6 h LEU 135 CO -0.02 0.74 0.36 0.00 0.09 0.00 0.00 178.44 179.61 3fk6 h ALA 136 N 1.23 0.84 -0.08 1.53 0.00 -0.47 0.25 119.26 122.56 3fk6 h ALA 136 Ca 0.27 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3fk6 h ALA 136 Cb 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3fk6 h ALA 136 CO -0.05 0.35 0.05 0.28 0.00 0.00 0.00 179.25 179.88 3fk6 h VAL 137 N 0.89 1.07 -0.05 0.00 2.07 -0.79 0.12 116.25 119.57 3fk6 h VAL 137 Ca 0.23 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.57 3fk6 h VAL 137 Cb 0.04 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3fk6 h VAL 137 CO -0.04 0.06 -0.05 0.40 0.02 0.00 0.00 177.57 177.96 3fk6 h ILE 138 N 0.05 0.84 -0.78 4.57 1.08 -0.69 -0.14 117.51 122.44 3fk6 h ILE 138 Ca 0.03 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.47 3fk6 h ILE 138 Cb 0.06 0.84 -0.04 0.00 -3.07 0.00 0.00 36.82 34.62 3fk6 h ILE 138 CO -0.00 0.00 0.39 0.45 -0.69 0.00 0.00 178.15 178.30 3fk6 h HIS 139 N -0.07 1.10 -0.34 1.37 3.86 -0.37 0.35 115.15 121.04 3fk6 h HIS 139 Ca 0.04 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 3fk6 h HIS 139 Cb 0.13 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.24 3fk6 h HIS 139 CO -0.15 0.79 0.16 0.35 0.86 0.00 0.00 177.93 179.94 3fk6 h PHE 140 N 1.09 0.50 -0.39 2.45 3.57 -0.53 -1.06 116.94 122.58 3fk6 h PHE 140 Ca 0.27 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.74 3fk6 h PHE 140 Cb 0.09 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3fk6 h PHE 140 CO 0.01 0.45 0.25 1.15 -2.23 0.00 0.00 178.31 177.93 3fk6 h THR 141 N 0.42 1.11 0.13 4.41 2.02 -0.54 -0.64 112.91 119.82 3fk6 h THR 141 Ca 0.12 -0.23 0.01 0.00 0.77 0.00 0.00 66.41 67.08 3fk6 h THR 141 Cb 0.14 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3fk6 h THR 141 CO -0.01 0.11 -0.15 -0.07 0.37 0.00 0.00 175.52 175.77 3fk6 h LEU 142 N 0.52 -0.40 -0.56 2.58 3.38 -0.72 -0.68 115.31 119.43 3fk6 h LEU 142 Ca 0.14 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.24 3fk6 h LEU 142 Cb -0.03 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 3fk6 h LEU 142 CO -0.03 -0.22 0.18 1.23 0.09 0.00 0.00 178.44 179.69 3fk6 h GLY 143 N -0.31 0.74 0.90 0.83 0.00 -0.94 0.35 103.07 104.64 3fk6 h GLY 143 Ca 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3fk6 h GLY 143 CO -0.05 -0.03 0.08 0.00 0.00 0.00 0.00 176.54 176.53 3fk6 h ALA 144 N 1.40 0.23 -0.28 3.60 0.00 -0.83 -1.23 119.26 122.16 3fk6 h ALA 144 Ca 0.28 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3fk6 h ALA 144 Cb 0.35 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3fk6 h ALA 144 CO -0.31 -0.19 0.04 0.28 0.00 0.00 0.00 179.25 179.08 3fk6 h VAL 145 N 0.15 1.23 -0.94 0.00 2.07 -0.62 -0.07 116.25 118.07 3fk6 h VAL 145 Ca 0.06 -0.80 0.12 0.00 0.82 0.00 0.00 66.70 66.91 3fk6 h VAL 145 Cb 0.15 1.21 -0.08 0.00 -1.52 0.00 0.00 31.29 31.05 3fk6 h VAL 145 CO -0.01 0.26 0.57 -0.07 0.02 0.00 0.00 177.57 178.34 3fk6 h LEU 146 N 0.28 0.80 -0.52 2.57 3.38 -0.26 0.31 115.31 121.88 3fk6 h LEU 146 Ca 0.08 0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 3fk6 h LEU 146 Cb 0.34 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3fk6 h LEU 146 CO 0.01 0.41 -0.02 -0.33 0.09 0.00 0.00 178.44 178.60 3fk6 h GLU 147 N 0.88 0.93 0.68 1.13 4.39 -0.73 -1.18 114.58 120.68 3fk6 h GLU 147 Ca 0.48 -0.31 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 3fk6 h GLU 147 Cb 0.51 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.09 3fk6 h GLU 147 CO -0.28 0.96 -0.32 0.37 -1.16 0.00 0.00 179.01 178.58 3fk6 h GLN 148 N 0.80 -0.87 -0.02 2.33 4.15 0.91 -1.93 115.11 120.48 3fk6 h GLN 148 Ca 0.14 0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.63 3fk6 h GLN 148 Cb 0.56 0.20 -0.00 0.00 0.21 0.00 0.00 27.48 28.45 3fk6 h GLN 148 CO 0.03 -0.56 0.16 1.96 -1.93 0.00 0.00 178.83 178.50 3fk6 h GLN 149 N -1.17 0.00 0.00 1.69 4.20 -0.51 -3.27 115.11 116.05 3fk6 h GLN 149 Ca -0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3fk6 h GLN 149 Cb 0.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 3fk6 h GLN 149 CO 0.15 0.00 0.00 -1.91 -0.67 0.00 0.00 178.83 176.40 3fk6 n GLU 150 N -3.09 0.00 -0.31 1.46 4.07 -0.45 -4.28 120.64 118.04 3fk6 n GLU 150 Ca -0.02 0.05 0.28 0.00 -0.06 0.00 0.00 57.16 57.41 3fk6 n GLU 150 Cb 0.23 -0.37 0.43 0.00 -0.06 0.00 0.00 31.44 31.67 3fk6 n GLU 150 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 3fk6 n HIS 151 N -1.15 0.00 0.30 4.31 -0.00 -0.74 0.89 115.22 118.83 3fk6 n HIS 151 Ca 0.00 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.03 3fk6 n HIS 151 Cb 0.00 -0.26 -0.08 0.00 -0.12 0.00 0.00 29.99 29.53 3fk6 n HIS 151 CO 0.00 0.00 0.00 1.79 0.46 0.00 0.00 176.34 178.59 3fk6 h THR 152 N 0.00 0.28 -0.83 3.57 1.35 -1.77 -2.90 112.91 112.60 3fk6 h THR 152 Ca 0.50 -0.34 0.16 0.00 -0.55 0.00 0.00 66.41 66.18 3fk6 h THR 152 Cb 2.40 0.38 -0.06 0.00 -1.73 0.00 0.00 68.15 69.14 3fk6 h THR 152 CO -0.01 0.04 0.55 0.00 -0.25 0.00 0.00 175.52 175.85 3fk6 h ALA 153 N -0.81 2.06 0.00 6.62 0.00 0.32 -1.70 119.26 125.75 3fk6 h ALA 153 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3fk6 h ALA 153 Cb 0.66 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3fk6 h ALA 153 CO 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.08 3fk6 n ALA 154 N -2.49 2.98 -3.33 0.00 0.00 -1.03 -5.16 120.51 111.48 3fk6 n ALA 154 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.41 3fk6 n ALA 154 Cb 0.56 -1.30 -0.16 0.00 0.00 0.00 0.00 19.45 18.55 3fk6 n ALA 154 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fk6 s LEU 155 N 0.00 1.58 0.00 0.00 1.43 -0.64 -4.99 118.68 116.05 3fk6 s LEU 155 Ca 0.00 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 3fk6 s LEU 155 Cb 0.00 -0.49 0.00 0.00 0.03 0.00 0.00 46.19 45.73 3fk6 s LEU 155 CO 0.00 0.01 0.00 0.59 0.23 0.00 0.00 176.35 177.18 3fk6 n ASN 165 N 3.65 0.00 -4.65 2.29 3.02 -1.26 -5.10 115.26 113.21 3fk6 n ASN 165 Ca -0.22 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.91 3fk6 n ASN 165 Cb 0.53 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.67 3fk6 n ASN 165 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fk6 s LEU 166 N 0.00 4.14 0.78 3.41 1.43 -1.26 -4.99 118.68 122.18 3fk6 s LEU 166 Ca 0.00 1.71 -0.15 0.00 -1.03 0.00 0.00 54.13 54.66 3fk6 s LEU 166 Cb 0.00 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.70 3fk6 s LEU 166 CO 0.00 -0.88 0.82 -2.65 0.23 0.00 0.00 176.35 173.86 3fk6 n PRO 167 N 6.90 0.25 0.10 1.29 -0.02 -1.26 -4.59 135.00 137.67 3fk6 n PRO 167 Ca 0.15 0.14 -0.14 0.00 -2.02 0.00 0.00 63.50 61.64 3fk6 n PRO 167 Cb 0.45 -2.11 -0.07 0.00 -0.02 0.00 0.00 33.50 31.76 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 -0.64 -0.57 -0.27 0.52 0.13 -1.98 0.32 132.00 129.50 3fk6 h PRO 168 Ca -0.46 0.04 0.04 0.00 -0.87 0.00 0.00 66.00 64.75 3fk6 h PRO 168 Cb 1.32 0.13 -0.04 0.00 0.13 0.00 0.00 31.00 32.54 3fk6 h PRO 168 CO 0.43 -0.38 0.04 -0.07 -0.23 0.00 0.00 178.00 177.80 3fk6 h LEU 169 N -0.59 -0.02 -0.13 1.56 -0.00 -1.99 -0.28 115.31 113.87 3fk6 h LEU 169 Ca 0.03 0.05 -0.00 0.00 -0.00 0.00 0.00 57.88 57.96 3fk6 h LEU 169 Cb 0.63 0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.36 3fk6 h LEU 169 CO -0.24 0.02 0.08 0.25 -0.00 0.00 0.00 178.44 178.55 3fk6 h LEU 170 N 0.14 0.16 -0.60 1.67 5.85 -1.88 0.36 115.31 121.01 3fk6 h LEU 170 Ca 0.13 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.90 3fk6 h LEU 170 Cb 0.14 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 3fk6 h LEU 170 CO -0.18 0.15 0.21 -0.09 -0.34 0.00 0.00 178.44 178.19 3fk6 h ARG 171 N 0.15 0.36 -0.53 1.25 2.43 -0.05 0.23 114.38 118.22 3fk6 h ARG 171 Ca 0.05 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 3fk6 h ARG 171 Cb 0.02 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 3fk6 h ARG 171 CO -0.01 0.24 -0.03 1.49 -1.51 0.00 0.00 179.97 180.15 3fk6 h GLU 172 N 0.37 0.94 0.25 0.20 4.81 -0.57 -1.20 114.58 119.38 3fk6 h GLU 172 Ca 0.31 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3fk6 h GLU 172 Cb 0.39 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3fk6 h GLU 172 CO -0.32 0.95 -0.12 0.00 -0.73 0.00 0.00 179.01 178.78 3fk6 h ALA 173 N 1.10 -0.33 -0.20 2.92 0.00 0.16 -1.04 119.26 121.88 3fk6 h ALA 173 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3fk6 h ALA 173 Cb 0.55 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3fk6 h ALA 173 CO 0.03 -0.65 0.09 -0.07 0.00 0.00 0.00 179.25 178.65 3fk6 h LEU 174 N -0.40 0.23 -0.58 0.00 3.38 -0.57 -1.40 115.31 115.97 3fk6 h LEU 174 Ca -0.03 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3fk6 h LEU 174 Cb 0.30 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3fk6 h LEU 174 CO 0.06 0.20 0.09 -0.61 0.09 0.00 0.00 178.44 178.27 3fk6 h GLN 175 N 0.27 0.96 -0.71 1.13 4.15 -0.67 -1.23 115.11 119.02 3fk6 h GLN 175 Ca 0.07 -0.26 -0.05 0.00 0.77 0.00 0.00 58.65 59.18 3fk6 h GLN 175 Cb 0.03 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 3fk6 h GLN 175 CO -0.01 0.92 0.23 0.82 -1.93 0.00 0.00 178.83 178.86 3fk6 h ILE 176 N 0.86 1.25 -0.52 2.39 2.04 -0.14 -2.57 117.51 120.83 3fk6 h ILE 176 Ca 0.18 -0.86 -0.12 0.00 1.00 0.00 0.00 64.86 65.05 3fk6 h ILE 176 Cb 0.42 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3fk6 h ILE 176 CO 0.01 0.34 -0.14 0.24 0.00 0.00 0.00 178.15 178.60 3fk6 h MET 177 N 1.05 0.99 -0.38 2.37 2.86 -1.08 -2.94 114.93 117.80 3fk6 h MET 177 Ca 0.23 -0.38 -0.04 0.00 -2.06 0.00 0.00 59.70 57.45 3fk6 h MET 177 Cb 0.28 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3fk6 h MET 177 CO -0.01 1.06 0.07 -0.44 1.06 0.00 0.00 176.91 178.65 3fk6 h ASP 178 N 0.88 0.53 0.48 1.22 3.32 -1.00 -2.01 116.42 119.84 3fk6 h ASP 178 Ca 0.13 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3fk6 h ASP 178 Cb 0.70 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3fk6 h ASP 178 CO 0.05 0.56 0.00 -1.54 -1.72 0.00 0.00 179.24 176.59 3fk6 n SER 179 N -4.31 0.00 -4.51 6.45 3.41 -0.99 -4.77 113.62 108.91 3fk6 n SER 179 Ca 0.02 0.19 -0.27 0.00 -0.26 0.00 0.00 58.87 58.56 3fk6 n SER 179 Cb 0.21 -0.37 -0.10 0.00 -0.26 0.00 0.00 64.21 63.69 3fk6 n SER 179 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fk6 s ASP 180 N -2.73 3.91 0.02 4.04 3.68 -0.76 -5.02 116.67 119.81 3fk6 s ASP 180 Ca 0.15 -0.69 0.16 0.00 2.13 0.00 0.00 52.55 54.30 3fk6 s ASP 180 Cb 0.13 -0.53 -0.17 0.00 -1.45 0.00 0.00 42.92 40.90 3fk6 s ASP 180 CO 0.32 0.12 0.74 -0.90 0.13 0.00 0.00 175.17 175.57 3fk6 n ASP 181 N 0.19 0.79 0.00 -0.34 5.75 -1.26 -4.95 116.55 116.73 3fk6 n ASP 181 Ca -0.12 0.35 0.00 0.00 -0.01 0.00 0.00 54.79 55.01 3fk6 n ASP 181 Cb 0.55 0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.86 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 1.44 1.26 0.35 6.12 0.00 -1.26 -4.88 105.19 108.23 3fk6 n GLY 182 Ca -0.12 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 0.68 -0.37 1.61 4.81 -1.99 0.14 114.58 119.45 3fk6 h GLU 183 Ca 0.00 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.02 3fk6 h GLU 183 Cb 0.00 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3fk6 h GLU 183 CO 0.00 0.45 -0.41 0.37 -0.73 0.00 0.00 179.01 178.69 3fk6 h GLN 184 N 0.70 0.94 -0.43 1.92 4.15 -1.98 -0.60 115.11 119.81 3fk6 h GLN 184 Ca 0.31 -0.51 -0.11 0.00 0.77 0.00 0.00 58.65 59.11 3fk6 h GLN 184 Cb 0.31 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 3fk6 h GLN 184 CO -0.10 1.16 -0.18 0.00 -1.93 0.00 0.00 178.83 177.78 3fk6 h ALA 185 N 0.76 0.60 0.03 3.38 0.00 -1.82 -1.32 119.26 120.89 3fk6 h ALA 185 Ca 0.06 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 3fk6 h ALA 185 Cb 1.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3fk6 h ALA 185 CO 0.10 0.54 -0.01 0.35 0.00 0.00 0.00 179.25 180.23 3fk6 h PHE 186 N 0.70 -0.03 -0.36 0.00 3.57 -0.88 -1.24 116.94 118.70 3fk6 h PHE 186 Ca 0.10 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 3fk6 h PHE 186 Cb 0.73 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 3fk6 h PHE 186 CO 0.05 0.06 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.08 3fk6 h LEU 187 N -0.11 0.56 0.43 0.59 3.38 -1.07 -0.26 115.31 118.83 3fk6 h LEU 187 Ca -0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3fk6 h LEU 187 Cb 0.10 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3fk6 h LEU 187 CO 0.01 0.66 -0.21 -0.74 0.09 0.00 0.00 178.44 178.24 3fk6 h HIS 188 N 0.55 -0.54 -0.92 1.13 2.76 -1.01 -0.74 115.15 116.38 3fk6 h HIS 188 Ca 0.11 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.28 3fk6 h HIS 188 Cb 0.41 0.18 -0.05 0.00 1.55 0.00 0.00 27.41 29.50 3fk6 h HIS 188 CO 0.02 -0.25 0.60 0.78 -1.30 0.00 0.00 177.93 177.78 3fk6 h GLY 189 N -0.77 1.30 0.98 5.26 0.00 -1.14 -1.07 103.07 107.62 3fk6 h GLY 189 Ca -0.06 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 3fk6 h GLY 189 CO 0.10 0.48 0.25 -2.00 0.00 0.00 0.00 176.54 175.37 3fk6 h LEU 190 N 1.25 0.66 -1.10 3.11 5.85 -0.97 -1.12 115.31 123.00 3fk6 h LEU 190 Ca 0.33 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 3fk6 h LEU 190 Cb -0.13 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 3fk6 h LEU 190 CO -0.07 0.60 -0.45 -0.08 -0.34 0.00 0.00 178.44 178.10 3fk6 h GLU 191 N 0.68 0.00 -0.33 1.25 4.57 -0.65 -2.11 114.58 118.00 3fk6 h GLU 191 Ca 0.18 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.29 3fk6 h GLU 191 Cb 0.11 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 3fk6 h GLU 191 CO -0.02 0.45 -0.05 0.77 -1.18 0.00 0.00 179.01 178.97 3fk6 h SER 192 N 0.00 0.61 -0.00 1.04 0.02 -0.74 -0.09 113.55 114.38 3fk6 h SER 192 Ca -0.00 -0.34 0.01 0.00 -0.84 0.00 0.00 61.79 60.62 3fk6 h SER 192 Cb 0.80 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 3fk6 h SER 192 CO 0.06 0.81 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.41 3fk6 h LEU 193 N 0.40 -0.22 -0.21 5.07 3.38 -0.96 0.34 115.31 123.11 3fk6 h LEU 193 Ca 0.09 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3fk6 h LEU 193 Cb 0.53 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3fk6 h LEU 193 CO 0.03 -0.11 0.09 0.40 0.09 0.00 0.00 178.44 178.93 3fk6 h ILE 194 N -0.13 1.15 -0.79 1.22 2.04 -1.29 0.37 117.51 120.07 3fk6 h ILE 194 Ca 0.03 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.48 3fk6 h ILE 194 Cb 0.17 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 3fk6 h ILE 194 CO -0.08 0.15 0.52 0.03 0.00 0.00 0.00 178.15 178.77 3fk6 h ARG 195 N 0.19 0.94 -0.54 2.37 3.08 -0.84 0.32 114.38 119.91 3fk6 h ARG 195 Ca 0.07 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 3fk6 h ARG 195 Cb 0.15 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3fk6 h ARG 195 CO -0.01 0.62 0.16 0.78 -1.07 0.00 0.00 179.97 180.46 3fk6 h GLY 196 N 0.97 0.90 1.26 0.04 0.00 0.62 -1.90 103.07 104.97 3fk6 h GLY 196 Ca 0.32 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 3fk6 h GLY 196 CO -0.09 0.50 0.23 0.74 0.00 0.00 0.00 176.54 177.92 3fk6 h PHE 197 N 0.75 0.95 0.35 5.60 0.04 0.13 -2.73 116.94 122.02 3fk6 h PHE 197 Ca 0.17 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 3fk6 h PHE 197 Cb 0.29 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3fk6 h PHE 197 CO 0.02 0.75 -0.17 0.93 -0.60 0.00 0.00 178.31 179.24 3fk6 h GLU 198 N 0.92 -0.45 -0.30 1.51 5.08 0.18 -0.10 114.58 121.42 3fk6 h GLU 198 Ca 0.21 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.66 3fk6 h GLU 198 Cb 0.22 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 3fk6 h GLU 198 CO -0.01 -0.26 -0.09 0.28 -1.00 0.00 0.00 179.01 177.93 3fk6 h VAL 199 N -0.53 0.66 0.02 3.13 2.07 -1.33 -0.41 116.25 119.86 3fk6 h VAL 199 Ca -0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 3fk6 h VAL 199 Cb 0.40 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3fk6 h VAL 199 CO 0.08 0.00 -0.01 1.56 0.02 0.00 0.00 177.57 179.22 3fk6 h GLN 200 N -0.03 -0.02 -0.07 1.57 4.20 -1.41 -1.22 115.11 118.13 3fk6 h GLN 200 Ca 0.15 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.88 3fk6 h GLN 200 Cb 0.25 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 3fk6 h GLN 200 CO -0.32 0.01 -0.06 1.25 -0.67 0.00 0.00 178.83 179.04 3fk6 h LEU 201 N -0.05 -0.19 -0.37 1.46 5.85 -0.66 0.42 115.31 121.78 3fk6 h LEU 201 Ca -0.00 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.80 3fk6 h LEU 201 Cb 0.04 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3fk6 h LEU 201 CO 0.00 -0.09 0.11 0.71 -0.34 0.00 0.00 178.44 178.84 3fk6 h THR 202 N -0.08 0.87 -0.15 1.05 1.35 -0.97 0.23 112.91 115.22 3fk6 h THR 202 Ca 0.05 -0.09 0.03 0.00 -0.55 0.00 0.00 66.41 65.85 3fk6 h THR 202 Cb 0.14 0.59 -0.03 0.00 -1.73 0.00 0.00 68.15 67.13 3fk6 h THR 202 CO -0.11 0.05 -0.05 0.00 -0.25 0.00 0.00 175.52 175.15 3fk6 h ALA 203 N 1.25 0.08 -0.51 6.62 0.00 -0.76 -2.68 119.26 123.27 3fk6 h ALA 203 Ca 0.17 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 3fk6 h ALA 203 Cb 0.16 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3fk6 h ALA 203 CO -0.19 -0.50 0.01 -0.07 0.00 0.00 0.00 179.25 178.50 3fk6 h LEU 204 N -0.02 0.81 0.00 0.00 3.38 -0.34 -2.61 115.31 116.53 3fk6 h LEU 204 Ca 0.08 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3fk6 h LEU 204 Cb 0.14 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3fk6 h LEU 204 CO -0.17 0.87 0.00 0.18 0.09 0.00 0.00 178.44 179.42 3fk6 n LEU 205 N -4.21 0.00 -0.25 1.67 4.77 0.76 -1.44 117.00 118.29 3fk6 n LEU 205 Ca 0.03 0.49 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 3fk6 n LEU 205 Cb 0.31 -0.49 0.62 0.00 -2.33 0.00 0.00 43.42 41.53 3fk6 n LEU 205 CO 0.42 -0.40 0.91 0.00 -1.33 0.00 0.00 177.39 176.99 3fk6 n GLN 206 N -1.49 1.34 0.00 3.23 6.02 -0.98 -5.08 117.38 120.41 3fk6 n GLN 206 Ca 0.01 -0.50 0.09 0.00 -0.01 0.00 0.00 57.00 56.59 3fk6 n GLN 206 Cb 0.06 -1.42 0.07 0.00 1.02 0.00 0.00 30.24 29.97 3fk6 n GLN 206 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16