#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knu s ILE 2 N 0.00 1.96 -0.13 1.12 1.01 0.02 -1.55 121.20 123.63 3knu s ILE 2 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.70 3knu s ILE 2 Cb 0.00 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 3knu s ILE 2 CO 0.00 0.54 -0.14 -0.36 0.00 0.00 0.00 174.94 174.98 3knu s PHE 3 N 0.46 2.79 -0.25 3.97 0.08 -0.18 -1.16 117.98 123.69 3knu s PHE 3 Ca -0.16 -0.69 -0.06 0.00 0.12 0.00 0.00 56.93 56.14 3knu s PHE 3 Cb -0.17 -1.84 -0.01 0.00 -0.57 0.00 0.00 43.02 40.43 3knu s PHE 3 CO 0.07 -0.24 0.02 -0.80 -0.10 0.00 0.00 175.22 174.17 3knu s ASN 4 N 0.37 4.77 -0.18 1.36 0.01 0.52 -0.26 114.94 121.53 3knu s ASN 4 Ca -0.11 -0.44 -0.07 0.00 -0.71 0.00 0.00 52.86 51.52 3knu s ASN 4 Cb -0.16 -1.83 -0.04 0.00 0.41 0.00 0.00 41.25 39.63 3knu s ASN 4 CO 0.06 -0.08 0.05 -0.69 -1.51 0.00 0.00 177.10 174.93 3knu s VAL 5 N 1.52 4.63 -0.26 1.60 1.01 0.16 -0.38 120.40 128.68 3knu s VAL 5 Ca 0.05 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 3knu s VAL 5 Cb -0.15 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 3knu s VAL 5 CO 0.00 0.46 0.04 -0.76 0.00 0.00 0.00 175.10 174.84 3knu s LEU 6 N 0.45 3.41 -0.01 3.92 1.43 -0.49 -0.14 118.68 127.24 3knu s LEU 6 Ca 0.02 -0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 3knu s LEU 6 Cb -0.13 -1.85 0.03 0.00 0.03 0.00 0.00 46.19 44.27 3knu s LEU 6 CO 0.01 -0.09 0.34 0.28 0.23 0.00 0.00 176.35 177.12 3knu s THR 7 N 1.53 0.05 -2.28 5.49 -1.32 -0.94 -1.23 115.64 116.94 3knu s THR 7 Ca 0.05 -0.44 0.25 0.00 -1.21 0.00 0.00 61.69 60.33 3knu s THR 7 Cb -0.16 -0.65 0.56 0.00 -1.51 0.00 0.00 72.50 70.74 3knu s THR 7 CO 0.01 -0.24 1.73 2.30 -2.21 0.00 0.00 174.62 176.20 3knu n ILE 8 N 1.23 0.08 -3.06 5.08 -5.35 -1.26 -1.65 119.36 114.43 3knu n ILE 8 Ca -0.21 -0.22 -0.26 0.00 -0.27 0.00 0.00 62.75 61.79 3knu n ILE 8 Cb 0.56 0.22 -0.05 0.00 -1.74 0.00 0.00 39.64 38.63 3knu n ILE 8 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3knu n PHE 9 N -0.05 3.43 -0.03 4.28 3.72 -1.26 -4.91 117.46 122.63 3knu n PHE 9 Ca 0.18 -4.00 0.14 0.00 -0.05 0.00 0.00 57.45 53.72 3knu n PHE 9 Cb 0.27 -0.49 0.56 0.00 -0.94 0.00 0.00 39.48 38.88 3knu n PHE 9 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3knu h PRO 10 N 3.22 0.26 0.00 -1.08 0.13 -1.91 -2.40 132.00 130.23 3knu h PRO 10 Ca 0.14 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3knu h PRO 10 Cb 0.59 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.66 3knu h PRO 10 CO 0.78 0.18 0.00 -0.56 -0.23 0.00 0.00 178.00 178.16 3knu h GLN 11 N 0.27 0.00 0.00 0.86 -0.00 -1.97 -1.92 115.11 112.36 3knu h GLN 11 Ca 0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.89 3knu h GLN 11 Cb 0.61 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.09 3knu h GLN 11 CO -0.05 0.00 -0.04 0.52 -0.00 0.00 0.00 178.83 179.25 3knu h MET 12 N 0.00 0.00 -6.20 0.06 2.86 -1.86 -3.45 114.93 106.33 3knu h MET 12 Ca 0.00 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.03 3knu h MET 12 Cb 0.26 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.84 3knu h MET 12 CO 0.00 0.04 -0.59 -0.06 1.06 0.00 0.00 176.91 177.36 3knu s PHE 13 N -3.92 3.15 0.40 -0.22 0.40 -0.72 -2.58 117.98 114.49 3knu s PHE 13 Ca -0.01 0.03 0.28 0.00 -0.60 0.00 0.00 56.93 56.62 3knu s PHE 13 Cb 0.11 -1.57 1.46 0.00 0.51 0.00 0.00 43.02 43.54 3knu s PHE 13 CO 0.52 0.52 2.07 -1.00 0.70 0.00 0.00 175.22 178.03 3knu h PRO 14 N 2.93 0.00 0.00 0.24 0.13 -1.87 -3.50 132.00 129.93 3knu h PRO 14 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3knu h PRO 14 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3knu h PRO 14 CO 0.64 0.11 0.00 0.41 -0.23 0.00 0.00 178.00 178.93 3knu n GLY 15 N -0.66 3.45 0.35 1.56 0.00 -1.07 -0.36 105.19 108.47 3knu n GLY 15 Ca -0.02 -0.04 0.18 0.00 0.00 0.00 0.00 46.02 46.15 3knu n GLY 15 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3knu h PRO 16 N 0.00 0.00 0.00 1.61 0.11 -1.99 -0.95 132.00 130.77 3knu h PRO 16 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3knu h PRO 16 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3knu h PRO 16 CO 0.00 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.07 3knu n LEU 17 N -3.48 0.23 -1.37 2.35 4.77 0.52 -3.30 117.00 116.71 3knu n LEU 17 Ca 0.02 0.53 0.09 0.00 -0.03 0.00 0.00 56.01 56.62 3knu n LEU 17 Cb 0.40 -0.47 0.31 0.00 -2.33 0.00 0.00 43.42 41.32 3knu n LEU 17 CO 0.23 -0.16 0.76 0.61 -1.33 0.00 0.00 177.39 177.51 3knu n GLY 18 N 0.94 2.29 3.47 -0.72 0.00 -0.36 -2.74 105.19 108.06 3knu n GLY 18 Ca 0.05 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 3knu n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knu s VAL 19 N -1.61 2.86 0.00 1.61 1.01 -1.21 -4.30 120.40 118.76 3knu s VAL 19 Ca 0.45 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3knu s VAL 19 Cb 0.27 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.46 3knu s VAL 19 CO 0.24 0.36 0.00 -0.24 0.00 0.00 0.00 175.10 175.47 3knu n SER 20 N 1.62 0.00 -0.17 3.32 2.88 -1.26 -1.98 113.62 118.04 3knu n SER 20 Ca -0.16 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.34 3knu n SER 20 Cb 0.52 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.04 3knu n SER 20 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3knu h ASN 21 N 5.22 0.33 -0.28 -3.46 4.21 -1.96 0.02 115.58 119.66 3knu h ASN 21 Ca 0.00 0.04 0.04 0.00 1.21 0.00 0.00 56.30 57.59 3knu h ASN 21 Cb 0.00 -0.02 -0.04 0.00 -1.12 0.00 0.00 38.32 37.14 3knu h ASN 21 CO 0.00 0.23 0.03 -0.07 -1.29 0.00 0.00 177.43 176.33 3knu h LEU 22 N 0.47 -0.03 -0.53 1.61 3.38 -1.81 -0.80 115.31 117.60 3knu h LEU 22 Ca 0.23 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 3knu h LEU 22 Cb 0.17 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3knu h LEU 22 CO -0.18 0.02 0.24 1.23 0.09 0.00 0.00 178.44 179.83 3knu h GLY 23 N 0.13 0.83 1.41 0.83 0.00 -0.70 -1.15 103.07 104.43 3knu h GLY 23 Ca 0.13 -0.43 -0.19 0.00 0.00 0.00 0.00 47.33 46.85 3knu h GLY 23 CO -0.19 0.41 -0.68 1.48 0.00 0.00 0.00 176.54 177.55 3knu h SER 24 N 0.71 0.69 -0.42 0.19 4.64 -0.86 -1.98 113.55 116.51 3knu h SER 24 Ca 0.18 -0.42 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3knu h SER 24 Cb 0.15 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 3knu h SER 24 CO -0.02 1.18 0.26 0.00 -0.87 0.00 0.00 176.83 177.38 3knu h ALA 25 N 0.82 1.65 0.18 5.18 0.00 -1.06 0.90 119.26 126.93 3knu h ALA 25 Ca -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3knu h ALA 25 Cb 1.27 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3knu h ALA 25 CO 0.13 0.31 -0.09 1.25 0.00 0.00 0.00 179.25 180.85 3knu h LEU 26 N 0.59 -0.21 -0.64 0.00 5.85 -0.84 0.14 115.31 120.20 3knu h LEU 26 Ca 0.16 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.80 3knu h LEU 26 Cb -0.03 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 3knu h LEU 26 CO -0.03 0.04 0.32 0.11 -0.34 0.00 0.00 178.44 178.54 3knu h LYS 27 N -0.46 0.56 0.00 1.25 6.56 -1.12 -1.72 116.57 121.64 3knu h LYS 27 Ca -0.03 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 3knu h LYS 27 Cb 0.35 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.88 3knu h LYS 27 CO 0.04 0.37 0.00 0.36 -2.06 0.00 0.00 179.45 178.17 3knu n LYS 28 N -4.86 0.21 -1.72 3.15 -0.00 0.29 -4.90 118.16 110.33 3knu n LYS 28 Ca 0.09 0.08 -0.05 0.00 -0.00 0.00 0.00 58.31 58.42 3knu n LYS 28 Cb 0.21 -1.50 -0.01 0.00 -0.00 0.00 0.00 35.03 33.73 3knu n LYS 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3knu n GLY 29 N 0.75 0.41 0.23 2.58 0.00 -0.31 -4.92 105.19 103.93 3knu n GLY 29 Ca 0.09 -0.73 0.11 0.00 0.00 0.00 0.00 46.02 45.50 3knu n GLY 29 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3knu h LEU 30 N 0.00 0.00 -8.28 0.99 3.38 -1.03 -3.45 115.31 106.93 3knu h LEU 30 Ca -0.12 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 3knu h LEU 30 Cb 0.79 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.40 3knu h LEU 30 CO 0.15 0.17 -0.49 -1.66 0.09 0.00 0.00 178.44 176.71 3knu s TRP 31 N -3.61 0.65 -0.01 1.13 1.48 -1.24 -4.15 118.94 113.20 3knu s TRP 31 Ca 0.01 -1.02 0.04 0.00 -1.06 0.00 0.00 56.10 54.08 3knu s TRP 31 Cb 0.10 -0.28 -0.01 0.00 -1.16 0.00 0.00 33.47 32.12 3knu s TRP 31 CO 0.62 -0.62 -0.14 0.99 -4.06 0.00 0.00 176.95 173.73 3knu s THR 32 N -4.02 1.13 -0.20 0.66 2.01 -0.60 -4.56 115.64 110.07 3knu s THR 32 Ca 0.22 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.61 3knu s THR 32 Cb 0.05 -0.94 0.05 0.00 0.01 0.00 0.00 72.50 71.67 3knu s THR 32 CO 0.02 0.32 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.97 3knu s LEU 33 N -0.32 2.24 -0.24 4.42 2.96 -1.26 -1.01 118.68 125.46 3knu s LEU 33 Ca 0.05 -0.93 -0.08 0.00 -0.22 0.00 0.00 54.13 52.95 3knu s LEU 33 Cb -0.06 -1.15 -0.03 0.00 0.50 0.00 0.00 46.19 45.45 3knu s LEU 33 CO -0.00 -0.18 0.08 0.20 -1.32 0.00 0.00 176.35 175.12 3knu s ASN 34 N 1.44 5.27 -0.33 3.68 0.01 0.64 -5.00 114.94 120.65 3knu s ASN 34 Ca -0.02 -0.15 -0.03 0.00 -0.71 0.00 0.00 52.86 51.94 3knu s ASN 34 Cb -0.17 -1.94 0.06 0.00 0.41 0.00 0.00 41.25 39.61 3knu s ASN 34 CO -0.07 -0.00 0.07 -0.69 -1.51 0.00 0.00 177.10 174.90 3knu s VAL 35 N 1.43 3.30 -0.10 1.60 1.01 -1.26 0.38 120.40 126.76 3knu s VAL 35 Ca 0.06 -1.44 -0.18 0.00 0.00 0.00 0.00 61.98 60.41 3knu s VAL 35 Cb -0.15 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 3knu s VAL 35 CO 0.04 -0.25 0.49 -0.36 0.00 0.00 0.00 175.10 175.02 3knu s PHE 36 N 1.28 3.55 -0.51 5.22 0.08 0.81 -4.97 117.98 123.43 3knu s PHE 36 Ca -0.01 0.94 -0.23 0.00 0.12 0.00 0.00 56.93 57.74 3knu s PHE 36 Cb -0.20 -2.54 0.04 0.00 -0.57 0.00 0.00 43.02 39.74 3knu s PHE 36 CO -0.00 0.22 0.85 0.34 -0.10 0.00 0.00 175.22 176.52 3knu s ASP 37 N 0.43 6.35 0.41 1.36 -1.08 -1.26 -2.20 116.67 120.68 3knu s ASP 37 Ca 0.27 -0.34 0.15 0.00 -0.52 0.00 0.00 52.55 52.11 3knu s ASP 37 Cb -0.16 -2.40 1.03 0.00 -1.46 0.00 0.00 42.92 39.93 3knu s ASP 37 CO 0.11 -1.08 1.89 0.40 0.52 0.00 0.00 175.17 177.01 3knu h ILE 38 N 5.99 0.76 0.00 4.11 2.04 -1.68 -0.77 117.51 127.96 3knu h ILE 38 Ca -0.26 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 3knu h ILE 38 Cb 1.08 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3knu h ILE 38 CO 1.03 0.08 -0.01 0.03 0.00 0.00 0.00 178.15 179.28 3knu h ARG 39 N 0.45 0.00 0.00 2.37 3.08 -1.91 -1.61 114.38 116.77 3knu h ARG 39 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.47 3knu h ARG 39 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.00 3knu h ARG 39 CO -0.15 0.01 0.00 0.00 -1.07 0.00 0.00 179.97 178.76 3knu n ALA 40 N -2.46 1.65 0.04 0.04 0.00 -0.30 -2.58 120.51 116.90 3knu n ALA 40 Ca -0.03 0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.57 3knu n ALA 40 Cb 0.10 -1.36 0.20 0.00 0.00 0.00 0.00 19.45 18.38 3knu n ALA 40 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3knu n PHE 41 N -2.13 0.52 0.41 0.00 3.01 -0.60 -4.59 117.46 114.08 3knu n PHE 41 Ca 0.02 -0.34 -0.16 0.00 1.01 0.00 0.00 57.45 57.98 3knu n PHE 41 Cb 0.22 -0.01 -0.08 0.00 -0.01 0.00 0.00 39.48 39.60 3knu n PHE 41 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3knu h ALA 42 N 3.41 -1.28 -5.77 4.37 0.00 -1.58 -3.43 119.26 114.98 3knu h ALA 42 Ca 0.00 -0.23 -0.28 0.00 0.00 0.00 0.00 54.91 54.40 3knu h ALA 42 Cb 0.84 0.43 0.11 0.00 0.00 0.00 0.00 17.79 19.18 3knu h ALA 42 CO 0.00 -1.21 -0.73 0.09 0.00 0.00 0.00 179.25 177.40 3knu n ASN 43 N -4.90 -6.35 0.00 0.00 3.02 -1.26 -4.85 115.26 100.92 3knu n ASN 43 Ca -0.13 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 3knu n ASN 43 Cb 0.42 -4.42 0.00 0.00 -0.61 0.00 0.00 39.78 35.17 3knu n ASN 43 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3knu n ASN 44 N -2.73 0.97 -0.78 6.41 0.23 -1.26 -5.03 115.26 113.06 3knu n ASN 44 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.97 3knu n ASN 44 Cb 0.59 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.29 3knu n ASN 44 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3knu n HIS 46 N 0.00 0.00 -1.68 -2.53 -0.00 -1.26 -4.69 115.22 105.06 3knu n HIS 46 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3knu n HIS 46 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 29.99 29.95 3knu n HIS 46 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 3knu n ASN 47 N 0.69 -1.07 -4.71 4.39 5.15 -1.26 -5.06 115.26 113.39 3knu n ASN 47 Ca 0.00 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.63 3knu n ASN 47 Cb 0.00 -0.38 -0.09 0.00 -0.53 0.00 0.00 39.78 38.78 3knu n ASN 47 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3knu s THR 48 N -2.31 4.74 -0.42 -0.44 -4.23 -1.26 -4.94 115.64 106.78 3knu s THR 48 Ca 0.00 -0.07 0.22 0.00 -1.18 0.00 0.00 61.69 60.66 3knu s THR 48 Cb 0.00 -3.06 -0.27 0.00 1.34 0.00 0.00 72.50 70.50 3knu s THR 48 CO 0.00 0.56 0.68 1.33 -0.54 0.00 0.00 174.62 176.65 3knu n VAL 49 N 2.59 0.03 -4.23 2.29 0.24 -1.26 -4.86 118.33 113.12 3knu n VAL 49 Ca -0.18 -0.31 -0.16 0.00 -2.04 0.00 0.00 64.34 61.65 3knu n VAL 49 Cb 0.53 0.35 -0.11 0.00 -1.47 0.00 0.00 33.84 33.15 3knu n VAL 49 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 3knu s ASP 50 N -3.97 1.78 0.22 -1.34 -4.77 -1.26 -0.47 116.67 106.87 3knu s ASP 50 Ca -0.01 -0.88 -0.11 0.00 -3.30 0.00 0.00 52.55 48.25 3knu s ASP 50 Cb 0.15 -0.03 -0.01 0.00 -1.09 0.00 0.00 42.92 41.94 3knu s ASP 50 CO 0.88 -0.24 0.39 -0.62 0.70 0.00 0.00 175.17 176.29 3knu s ASP 51 N -2.70 -0.05 0.39 2.11 -1.08 -0.34 -4.87 116.67 110.14 3knu s ASP 51 Ca 0.11 -0.93 -0.26 0.00 -0.52 0.00 0.00 52.55 50.95 3knu s ASP 51 Cb -0.02 0.52 -0.09 0.00 -1.46 0.00 0.00 42.92 41.88 3knu s ASP 51 CO 0.01 -1.04 1.18 0.42 0.52 0.00 0.00 175.17 176.26 3knu s THR 52 N -4.01 3.14 0.34 1.71 -4.23 -1.26 -0.61 115.64 110.72 3knu s THR 52 Ca 0.22 0.98 -0.29 0.00 -1.18 0.00 0.00 61.69 61.43 3knu s THR 52 Cb 0.01 -3.56 -0.11 0.00 1.34 0.00 0.00 72.50 70.18 3knu s THR 52 CO 0.06 0.11 1.44 -2.16 -0.54 0.00 0.00 174.62 173.53 3knu s PRO 53 N -2.20 4.20 0.39 3.99 0.04 -1.26 -4.88 135.00 135.29 3knu s PRO 53 Ca 0.56 2.43 -0.27 0.00 0.04 0.00 0.00 61.00 63.75 3knu s PRO 53 Cb -0.31 -3.02 -0.11 0.00 0.04 0.00 0.00 34.50 31.10 3knu s PRO 53 CO 0.40 -0.43 1.46 0.66 0.04 0.00 0.00 177.00 179.13 3knu n TYR 54 N 1.00 2.86 -0.27 0.56 4.01 -1.26 -3.30 117.16 120.77 3knu n TYR 54 Ca 0.02 0.45 0.00 0.00 -0.16 0.00 0.00 57.90 58.22 3knu n TYR 54 Cb 0.40 -2.51 0.00 0.00 -0.31 0.00 0.00 39.34 36.92 3knu n TYR 54 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3knu n GLY 55 N 0.51 0.65 0.00 2.72 0.00 -1.26 -4.95 105.19 102.86 3knu n GLY 55 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3knu n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knu n GLY 56 N -2.00 -0.15 0.00 -0.02 0.00 -1.21 -5.13 105.19 96.68 3knu n GLY 56 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.14 3knu n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knu n GLY 57 N -0.24 2.24 3.78 -0.02 0.00 -1.26 -4.80 105.19 104.89 3knu n GLY 57 Ca 0.00 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.88 3knu n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3knu s PRO 58 N -3.33 1.33 1.83 1.61 0.04 -1.26 -4.69 135.00 130.53 3knu s PRO 58 Ca 0.00 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.47 3knu s PRO 58 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 3knu s PRO 58 CO 0.00 -2.10 0.00 0.41 0.04 0.00 0.00 177.00 175.35 3knu n GLY 59 N -2.03 -1.51 3.16 0.56 0.00 -1.26 -4.80 105.19 99.32 3knu n GLY 59 Ca 0.07 -1.31 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 3knu n GLY 59 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3knu s MET 60 N 0.00 0.98 -0.01 1.61 -1.94 -1.26 -4.39 119.30 114.29 3knu s MET 60 Ca 0.00 -1.47 -0.00 0.00 -1.71 0.00 0.00 55.69 52.51 3knu s MET 60 Cb 0.00 0.23 0.01 0.00 2.01 0.00 0.00 34.83 37.08 3knu s MET 60 CO 0.00 -0.28 0.01 -1.17 -0.01 0.00 0.00 175.02 173.57 3knu s LEU 61 N -3.07 1.69 0.17 -0.03 2.96 0.22 -0.84 118.68 119.78 3knu s LEU 61 Ca 0.26 0.01 -0.32 0.00 -0.22 0.00 0.00 54.13 53.87 3knu s LEU 61 Cb 0.07 -0.02 -0.10 0.00 0.50 0.00 0.00 46.19 46.64 3knu s LEU 61 CO 0.03 -0.04 1.59 -0.76 -1.32 0.00 0.00 176.35 175.85 3knu s LEU 62 N 0.36 4.37 0.17 -0.68 1.43 -0.58 -1.19 118.68 122.56 3knu s LEU 62 Ca -0.03 2.66 -0.30 0.00 -1.03 0.00 0.00 54.13 55.43 3knu s LEU 62 Cb -0.04 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.50 3knu s LEU 62 CO -0.01 -0.85 1.16 -0.13 0.23 0.00 0.00 176.35 176.75 3knu s ARG 63 N 1.10 4.53 0.39 1.70 0.52 0.39 -2.26 118.95 125.31 3knu s ARG 63 Ca 0.70 1.80 0.11 0.00 -0.52 0.00 0.00 55.73 57.83 3knu s ARG 63 Cb -0.45 -3.26 0.90 0.00 0.52 0.00 0.00 34.95 32.66 3knu s ARG 63 CO 0.32 -0.04 1.91 0.00 0.02 0.00 0.00 175.30 177.51 3knu h ALA 64 N 5.31 1.92 -0.11 2.13 0.00 -1.90 -1.15 119.26 125.47 3knu h ALA 64 Ca -0.44 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 3knu h ALA 64 Cb 1.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3knu h ALA 64 CO 0.74 -0.12 -0.21 0.38 0.00 0.00 0.00 179.25 180.04 3knu h ASP 65 N 0.58 0.38 0.29 0.00 2.03 -1.97 0.21 116.42 117.94 3knu h ASP 65 Ca 0.38 -0.55 -0.01 0.00 -0.73 0.00 0.00 57.03 56.12 3knu h ASP 65 Cb 0.67 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.07 3knu h ASP 65 CO -0.15 0.86 -0.14 0.58 -1.03 0.00 0.00 179.24 179.36 3knu h VAL 66 N -0.09 0.72 -0.89 4.15 2.07 -1.80 -1.35 116.25 119.06 3knu h VAL 66 Ca 0.01 -0.06 0.09 0.00 0.82 0.00 0.00 66.70 67.56 3knu h VAL 66 Cb 0.79 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 3knu h VAL 66 CO 0.05 0.01 0.54 -0.07 0.02 0.00 0.00 177.57 178.12 3knu h LEU 67 N -0.42 0.81 -0.37 2.57 3.38 -1.24 -2.49 115.31 117.54 3knu h LEU 67 Ca -0.04 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3knu h LEU 67 Cb 0.32 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3knu h LEU 67 CO 0.07 0.48 0.24 1.23 0.09 0.00 0.00 178.44 180.54 3knu h GLY 68 N 0.92 0.52 1.19 0.83 0.00 -0.29 0.99 103.07 107.23 3knu h GLY 68 Ca 0.42 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.53 3knu h GLY 68 CO -0.22 0.18 0.36 3.21 0.00 0.00 0.00 176.54 180.06 3knu h ARG 69 N 0.49 1.05 0.15 4.80 3.08 -0.98 0.16 114.38 123.13 3knu h ARG 69 Ca 0.14 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3knu h ARG 69 Cb -0.04 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.82 3knu h ARG 69 CO -0.04 0.81 -0.07 0.00 -1.07 0.00 0.00 179.97 179.59 3knu h ILE 71 N -0.64 1.12 -0.49 0.00 2.04 -0.71 -1.85 117.51 116.98 3knu h ILE 71 Ca -0.02 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 3knu h ILE 71 Cb 0.48 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3knu h ILE 71 CO 0.03 0.15 0.28 0.44 0.00 0.00 0.00 178.15 179.05 3knu h ASP 72 N 0.80 0.59 -0.53 1.72 3.32 -0.71 0.54 116.42 122.14 3knu h ASP 72 Ca 0.23 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 3knu h ASP 72 Cb -0.05 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3knu h ASP 72 CO -0.07 0.48 0.17 -0.08 -1.72 0.00 0.00 179.24 178.01 3knu h GLU 73 N 0.68 0.83 -0.30 3.56 4.57 -0.72 -0.92 114.58 122.28 3knu h GLU 73 Ca 0.18 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3knu h GLU 73 Cb 0.01 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 3knu h GLU 73 CO -0.03 0.76 0.18 0.28 -1.18 0.00 0.00 179.01 179.03 3knu h VAL 74 N 0.73 1.10 -0.78 0.32 2.07 -0.48 -2.61 116.25 116.60 3knu h VAL 74 Ca 0.17 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 3knu h VAL 74 Cb 0.28 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 3knu h VAL 74 CO -0.01 0.10 0.47 -0.07 0.02 0.00 0.00 177.57 178.09 3knu h LEU 75 N 0.39 0.94 -1.23 2.57 3.38 -0.82 0.52 115.31 121.05 3knu h LEU 75 Ca 0.11 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.07 3knu h LEU 75 Cb 0.00 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 3knu h LEU 75 CO -0.02 0.73 0.55 0.77 0.09 0.00 0.00 178.44 180.55 3knu h SER 76 N 1.07 0.83 0.70 -0.43 4.64 -1.03 -2.35 113.55 116.99 3knu h SER 76 Ca 0.28 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.34 3knu h SER 76 Cb -0.04 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 3knu h SER 76 CO -0.05 0.54 -1.24 -0.07 -0.87 0.00 0.00 176.83 175.13 3knu h LEU 77 N 0.94 0.27 -6.43 5.97 3.38 -0.93 -3.41 115.31 115.11 3knu h LEU 77 Ca 0.36 -0.31 -0.59 0.00 0.09 0.00 0.00 57.88 57.42 3knu h LEU 77 Cb 0.19 -0.09 -0.39 0.00 0.09 0.00 0.00 40.66 40.47 3knu h LEU 77 CO -0.13 1.25 -0.91 1.41 0.09 0.00 0.00 178.44 180.15 3knu n HIS 78 N -3.44 0.09 -0.05 1.13 8.25 0.17 -5.00 115.22 116.37 3knu n HIS 78 Ca -0.08 -3.56 0.12 0.00 -0.26 0.00 0.00 57.72 53.94 3knu n HIS 78 Cb 1.00 -0.02 0.52 0.00 1.12 0.00 0.00 29.99 32.62 3knu n HIS 78 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3knu h PRO 79 N 5.27 0.35 -0.65 -0.41 0.11 -1.67 -2.01 132.00 132.99 3knu h PRO 79 Ca 0.22 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3knu h PRO 79 Cb 0.87 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3knu h PRO 79 CO 0.47 0.23 0.00 0.09 -0.21 0.00 0.00 178.00 178.57 3knu n ASN 80 N -4.47 5.02 -4.75 -2.05 3.02 -1.26 -4.99 115.26 105.79 3knu n ASN 80 Ca 0.08 -2.54 -0.38 0.00 -0.03 0.00 0.00 54.58 51.72 3knu n ASN 80 Cb 0.35 -0.61 0.04 0.00 -0.61 0.00 0.00 39.78 38.96 3knu n ASN 80 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3knu s THR 81 N -2.03 2.21 -0.43 3.41 -1.32 -0.76 -4.85 115.64 111.87 3knu s THR 81 Ca 0.53 0.15 -0.23 0.00 -1.21 0.00 0.00 61.69 60.92 3knu s THR 81 Cb 0.35 -3.07 0.02 0.00 -1.51 0.00 0.00 72.50 68.29 3knu s THR 81 CO 0.24 -0.01 0.77 -0.75 -2.21 0.00 0.00 174.62 172.65 3knu s LYS 82 N -3.09 3.49 -0.36 7.08 2.47 -0.17 -4.92 119.74 124.23 3knu s LYS 82 Ca 0.75 -0.01 -0.29 0.00 -1.56 0.00 0.00 55.97 54.86 3knu s LYS 82 Cb -0.37 -3.90 0.02 0.00 -1.46 0.00 0.00 37.83 32.11 3knu s LYS 82 CO 0.42 -1.04 1.16 -0.51 0.16 0.00 0.00 175.35 175.55 3knu s LEU 83 N 3.21 3.82 0.25 5.43 1.43 -1.26 -0.58 118.68 130.98 3knu s LEU 83 Ca 0.30 0.92 0.11 0.00 -1.03 0.00 0.00 54.13 54.42 3knu s LEU 83 Cb -0.12 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.50 3knu s LEU 83 CO 0.21 -1.06 -0.20 -0.04 0.23 0.00 0.00 176.35 175.50 3knu s MET 84 N 4.06 1.58 -0.07 1.70 -1.94 0.24 -1.15 119.30 123.72 3knu s MET 84 Ca 0.49 -1.69 -0.03 0.00 -1.71 0.00 0.00 55.69 52.76 3knu s MET 84 Cb -0.12 -1.66 0.04 0.00 2.01 0.00 0.00 34.83 35.11 3knu s MET 84 CO 0.22 0.31 0.14 0.12 -0.01 0.00 0.00 175.02 175.81 3knu s PHE 85 N -2.44 -0.16 -0.23 -0.03 5.36 -0.56 -0.29 117.98 119.62 3knu s PHE 85 Ca 0.27 0.50 -0.25 0.00 -0.96 0.00 0.00 56.93 56.49 3knu s PHE 85 Cb -0.05 -0.15 -0.00 0.00 -0.34 0.00 0.00 43.02 42.48 3knu s PHE 85 CO 0.13 -0.20 0.85 0.95 -1.46 0.00 0.00 175.22 175.49 3knu s THR 86 N 1.52 4.82 0.08 0.12 -4.23 -1.08 -1.16 115.64 115.71 3knu s THR 86 Ca -0.05 1.63 -0.18 0.00 -1.18 0.00 0.00 61.69 61.90 3knu s THR 86 Cb -0.12 -4.14 0.04 0.00 1.34 0.00 0.00 72.50 69.62 3knu s THR 86 CO -0.06 -0.08 0.43 -0.94 -0.54 0.00 0.00 174.62 173.44 3knu s SER 87 N 1.31 -0.30 0.48 3.99 1.04 -0.49 -4.51 113.70 115.22 3knu s SER 87 Ca 0.36 -0.09 0.32 0.00 0.48 0.00 0.00 55.95 57.02 3knu s SER 87 Cb -0.15 0.46 1.40 0.00 0.10 0.00 0.00 66.02 67.83 3knu s SER 87 CO 0.08 -0.76 1.95 1.55 0.98 0.00 0.00 173.24 177.04 3knu h PRO 88 N 2.68 0.00 -0.67 4.02 0.13 -1.94 -2.60 132.00 133.63 3knu h PRO 88 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3knu h PRO 88 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3knu h PRO 88 CO 0.44 0.00 0.00 2.89 -0.23 0.00 0.00 178.00 181.10 3knu n ARG 89 N -2.82 2.86 -2.10 0.86 1.85 -1.26 -4.87 116.66 111.18 3knu n ARG 89 Ca 0.00 -2.50 -0.29 0.00 -1.00 0.00 0.00 57.85 54.07 3knu n ARG 89 Cb 0.24 -1.62 0.19 0.00 -1.05 0.00 0.00 32.46 30.21 3knu n ARG 89 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3knu s GLY 90 N -0.96 1.81 0.33 2.89 0.00 -0.98 -4.95 107.32 105.46 3knu s GLY 90 Ca 0.46 -1.46 -0.29 0.00 0.00 0.00 0.00 44.72 43.43 3knu s GLY 90 CO 0.28 -0.67 1.53 -0.62 0.00 0.00 0.00 173.10 173.62 3knu n VAL 91 N -3.64 1.47 -1.87 1.40 0.31 -0.59 -4.19 118.33 111.22 3knu n VAL 91 Ca 0.17 -0.37 -0.42 0.00 -0.01 0.00 0.00 64.34 63.71 3knu n VAL 91 Cb 0.59 -1.92 -0.03 0.00 -0.91 0.00 0.00 33.84 31.58 3knu n VAL 91 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3knu s SER 92 N 0.19 6.54 0.17 4.52 0.01 -1.26 -0.29 113.70 123.57 3knu s SER 92 Ca 0.59 2.37 -0.30 0.00 1.31 0.00 0.00 55.95 59.92 3knu s SER 92 Cb -0.50 -2.53 -0.08 0.00 0.21 0.00 0.00 66.02 63.11 3knu s SER 92 CO 0.56 -1.02 1.34 0.12 0.41 0.00 0.00 173.24 174.65 3knu s PHE 93 N 4.36 3.25 0.14 2.43 5.36 0.20 -4.88 117.98 128.84 3knu s PHE 93 Ca 0.80 1.13 -0.05 0.00 -0.96 0.00 0.00 56.93 57.84 3knu s PHE 93 Cb -0.37 -3.63 -0.02 0.00 -0.34 0.00 0.00 43.02 38.66 3knu s PHE 93 CO 0.34 -2.06 0.17 0.95 -1.46 0.00 0.00 175.22 173.16 3knu s THR 94 N 0.45 0.09 0.34 0.12 -4.23 -1.26 -4.89 115.64 106.26 3knu s THR 94 Ca 0.59 -1.62 0.13 0.00 -1.18 0.00 0.00 61.69 59.62 3knu s THR 94 Cb -0.37 -1.90 0.34 0.00 1.34 0.00 0.00 72.50 71.91 3knu s THR 94 CO 0.36 -0.41 1.72 -0.61 -0.54 0.00 0.00 174.62 175.13 3knu h GLN 95 N 2.71 0.45 -0.31 3.99 5.75 -1.99 0.31 115.11 126.03 3knu h GLN 95 Ca -0.33 -0.03 -0.15 0.00 -0.15 0.00 0.00 58.65 57.99 3knu h GLN 95 Cb 1.21 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 29.66 3knu h GLN 95 CO 0.54 0.30 -0.37 0.22 -2.65 0.00 0.00 178.83 176.86 3knu h ASP 96 N 0.46 0.87 -0.73 -0.69 3.58 -1.98 -0.66 116.42 117.27 3knu h ASP 96 Ca 0.67 -0.49 -0.03 0.00 0.42 0.00 0.00 57.03 57.59 3knu h ASP 96 Cb 1.45 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 42.22 3knu h ASP 96 CO -0.47 1.18 0.33 0.40 -2.88 0.00 0.00 179.24 177.80 3knu h ILE 97 N 0.57 1.24 -0.44 2.25 1.08 -1.34 -1.37 117.51 119.50 3knu h ILE 97 Ca 0.04 -0.72 0.07 0.00 -0.39 0.00 0.00 64.86 63.87 3knu h ILE 97 Cb 0.96 0.36 -0.06 0.00 -3.07 0.00 0.00 36.82 35.01 3knu h ILE 97 CO 0.09 0.30 0.07 0.00 -0.69 0.00 0.00 178.15 177.92 3knu h ALA 98 N 1.16 0.48 -0.53 1.87 0.00 -0.20 -0.38 119.26 121.65 3knu h ALA 98 Ca 0.25 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.32 3knu h ALA 98 Cb 0.16 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 3knu h ALA 98 CO -0.03 -0.33 0.23 0.00 0.00 0.00 0.00 179.25 179.12 3knu h ARG 99 N 0.20 0.43 0.00 0.00 3.08 -0.73 -2.23 114.38 115.13 3knu h ARG 99 Ca 0.22 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.18 3knu h ARG 99 Cb 0.29 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3knu h ARG 99 CO -0.30 0.28 -0.29 1.96 -1.07 0.00 0.00 179.97 180.55 3knu h GLN 100 N 0.44 0.00 0.00 0.04 4.20 -0.65 -0.83 115.11 118.31 3knu h GLN 100 Ca 0.25 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.93 3knu h GLN 100 Cb 0.22 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 3knu h GLN 100 CO -0.21 0.29 -0.12 1.15 -0.67 0.00 0.00 178.83 179.26 3knu h THR 101 N 0.00 0.33 0.00 -0.54 2.02 -0.52 -2.62 112.91 111.57 3knu h THR 101 Ca -0.00 -0.80 -0.07 0.00 0.77 0.00 0.00 66.41 66.30 3knu h THR 101 Cb 0.60 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 3knu h THR 101 CO 0.04 0.12 -0.35 0.24 0.37 0.00 0.00 175.52 175.93 3knu h MET 102 N 0.00 0.00 0.00 6.66 2.86 -0.59 -2.84 114.93 121.02 3knu h MET 102 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3knu h MET 102 Cb 0.60 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.26 3knu h MET 102 CO 0.02 0.35 0.16 -0.91 1.06 0.00 0.00 176.91 177.59 3knu h ASN 103 N 0.00 0.00 -3.19 1.22 2.35 -1.46 -3.40 115.58 111.10 3knu h ASN 103 Ca -0.00 0.00 -0.67 0.00 -0.55 0.00 0.00 56.30 55.07 3knu h ASN 103 Cb 0.63 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.88 3knu h ASN 103 CO 0.05 0.00 -0.60 -0.36 -1.65 0.00 0.00 177.43 174.87 3knu s PHE 104 N -3.87 3.24 -1.21 1.19 0.08 -1.07 -5.02 117.98 111.31 3knu s PHE 104 Ca -0.03 0.23 0.24 0.00 0.12 0.00 0.00 56.93 57.49 3knu s PHE 104 Cb 0.09 -1.79 0.36 0.00 -0.57 0.00 0.00 43.02 41.11 3knu s PHE 104 CO 0.27 0.52 1.31 -0.40 -0.10 0.00 0.00 175.22 176.83 3knu n ASP 105 N 1.87 0.80 -3.62 1.36 5.68 -1.26 -4.83 116.55 116.55 3knu n ASP 105 Ca -0.17 -0.61 -0.22 0.00 -0.50 0.00 0.00 54.79 53.29 3knu n ASP 105 Cb 0.54 0.40 -0.16 0.00 -1.14 0.00 0.00 41.12 40.75 3knu n ASP 105 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 3knu s ASN 106 N -2.87 1.65 -0.06 -1.12 3.84 -1.26 -0.80 114.94 114.32 3knu s ASN 106 Ca 0.13 -0.23 0.05 0.00 0.21 0.00 0.00 52.86 53.02 3knu s ASN 106 Cb 0.18 -0.05 -0.00 0.00 -0.55 0.00 0.00 41.25 40.83 3knu s ASN 106 CO 0.69 -0.31 -0.21 -0.63 -2.79 0.00 0.00 177.10 173.86 3knu s ILE 107 N 2.20 1.74 -0.17 -5.21 -1.09 -0.31 -1.00 121.20 117.35 3knu s ILE 107 Ca 0.04 -0.88 -0.00 0.00 -2.23 0.00 0.00 60.65 57.57 3knu s ILE 107 Cb -0.14 -1.49 -0.00 0.00 -1.58 0.00 0.00 42.46 39.25 3knu s ILE 107 CO -0.07 0.49 -0.14 -0.89 -1.23 0.00 0.00 174.94 173.10 3knu s THR 108 N 0.03 2.72 -0.35 2.92 2.01 0.25 -0.35 115.64 122.87 3knu s THR 108 Ca -0.06 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.16 3knu s THR 108 Cb -0.13 -2.17 0.07 0.00 0.01 0.00 0.00 72.50 70.28 3knu s THR 108 CO 0.04 0.50 0.11 -0.76 -0.69 0.00 0.00 174.62 173.82 3knu s LEU 109 N 0.98 4.53 -0.11 4.42 1.43 0.49 0.79 118.68 131.21 3knu s LEU 109 Ca -0.02 -1.49 -0.29 0.00 -1.03 0.00 0.00 54.13 51.30 3knu s LEU 109 Cb -0.15 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 3knu s LEU 109 CO -0.02 -0.39 0.96 -0.22 0.23 0.00 0.00 176.35 176.91 3knu s LEU 110 N 1.27 4.24 -0.33 1.79 2.96 0.60 -1.40 118.68 127.82 3knu s LEU 110 Ca 0.00 1.47 -0.11 0.00 -0.22 0.00 0.00 54.13 55.27 3knu s LEU 110 Cb -0.21 -3.49 -0.01 0.00 0.50 0.00 0.00 46.19 42.99 3knu s LEU 110 CO -0.01 -0.42 0.19 0.00 -1.32 0.00 0.00 176.35 174.79 3knu s GLY 112 N 1.65 2.25 0.34 0.00 0.00 -1.26 -4.70 107.32 105.60 3knu s GLY 112 Ca 0.05 0.48 0.07 0.00 0.00 0.00 0.00 44.72 45.33 3knu s GLY 112 CO 0.08 0.81 0.28 0.50 0.00 0.00 0.00 173.10 174.76 3knu s ARG 113 N -3.82 1.78 4.60 2.90 1.81 -1.26 -0.90 118.95 124.06 3knu s ARG 113 Ca 0.65 -2.04 0.00 0.00 -1.72 0.00 0.00 55.73 52.62 3knu s ARG 113 Cb -0.17 0.28 0.00 0.00 -0.45 0.00 0.00 34.95 34.61 3knu s ARG 113 CO 0.32 -0.65 0.00 1.19 -0.68 0.00 0.00 175.30 175.48 3knu n PHE 114 N -0.65 0.00 1.83 -0.53 3.72 -1.26 -1.16 117.46 119.41 3knu n PHE 114 Ca 0.07 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.61 3knu n PHE 114 Cb 0.62 0.02 0.74 0.00 -0.94 0.00 0.00 39.48 39.92 3knu n PHE 114 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3knu n GLU 115 N 14.00 1.20 0.00 -1.08 -0.58 -0.02 -4.97 120.64 129.19 3knu n GLU 115 Ca 0.00 -0.29 0.00 0.00 -0.42 0.00 0.00 57.16 56.45 3knu n GLU 115 Cb 0.00 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 3knu n GLU 115 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3knu n GLY 116 N 1.01 0.29 3.25 0.62 0.00 -0.31 -5.00 105.19 105.04 3knu n GLY 116 Ca 0.20 -2.10 -0.18 0.00 0.00 0.00 0.00 46.02 43.94 3knu n GLY 116 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3knu s ILE 117 N 0.00 1.36 0.09 -0.61 -4.36 -1.26 -1.52 121.20 114.90 3knu s ILE 117 Ca 0.00 -1.72 -0.34 0.00 -0.26 0.00 0.00 60.65 58.33 3knu s ILE 117 Cb 0.00 -1.55 -0.13 0.00 1.25 0.00 0.00 42.46 42.03 3knu s ILE 117 CO 0.00 -0.40 1.69 -0.67 0.24 0.00 0.00 174.94 175.80 3knu n ASP 118 N 0.53 3.32 0.30 4.36 2.03 -0.96 -4.86 116.55 121.27 3knu n ASP 118 Ca -0.15 1.04 0.16 0.00 0.52 0.00 0.00 54.79 56.35 3knu n ASP 118 Cb 0.57 -1.43 0.93 0.00 -0.72 0.00 0.00 41.12 40.47 3knu n ASP 118 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3knu h GLU 119 N 7.14 0.00 0.00 -0.67 4.57 -1.99 -2.20 114.58 121.43 3knu h GLU 119 Ca -0.46 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.70 3knu h GLU 119 Cb 1.25 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.84 3knu h GLU 119 CO 0.91 0.01 -0.09 0.00 -1.18 0.00 0.00 179.01 178.66 3knu h ARG 120 N 0.00 0.00 -0.49 1.92 3.08 -1.99 -1.56 114.38 115.34 3knu h ARG 120 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3knu h ARG 120 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3knu h ARG 120 CO 0.00 0.09 0.08 0.28 -1.07 0.00 0.00 179.97 179.35 3knu h VAL 121 N 0.00 1.25 -0.10 2.04 2.07 -1.77 0.30 116.25 120.03 3knu h VAL 121 Ca -0.00 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 3knu h VAL 121 Cb 0.16 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3knu h VAL 121 CO 0.01 0.33 0.06 0.58 0.02 0.00 0.00 177.57 178.57 3knu h VAL 122 N 0.68 1.08 -0.18 2.57 2.07 -1.42 -2.59 116.25 118.44 3knu h VAL 122 Ca 0.15 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 3knu h VAL 122 Cb 0.39 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3knu h VAL 122 CO 0.01 0.07 -0.25 0.44 0.02 0.00 0.00 177.57 177.86 3knu h ASP 123 N 0.08 0.54 -0.25 0.57 3.32 -1.29 -0.87 116.42 118.53 3knu h ASP 123 Ca 0.04 -0.51 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 3knu h ASP 123 Cb 0.06 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3knu h ASP 123 CO -0.01 0.94 0.13 0.15 -1.72 0.00 0.00 179.24 178.73 3knu h PHE 124 N 0.15 0.34 -0.01 4.55 3.57 -0.43 -3.04 116.94 122.08 3knu h PHE 124 Ca 0.02 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3knu h PHE 124 Cb 0.82 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.45 3knu h PHE 124 CO 0.09 0.31 -0.22 0.66 -2.23 0.00 0.00 178.31 176.92 3knu n TYR 125 N -4.84 0.00 -3.81 0.41 4.01 -0.98 -4.96 117.16 106.99 3knu n TYR 125 Ca -0.03 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.47 3knu n TYR 125 Cb 0.09 -0.12 0.02 0.00 -0.31 0.00 0.00 39.34 39.02 3knu n TYR 125 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 3knu n LYS 126 N -0.61 -4.63 -1.74 -0.72 2.85 -0.37 -4.89 118.16 108.05 3knu n LYS 126 Ca 0.13 0.56 -0.42 0.00 -1.05 0.00 0.00 58.31 57.53 3knu n LYS 126 Cb 0.34 -5.10 -0.01 0.00 -0.65 0.00 0.00 35.03 29.61 3knu n LYS 126 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3knu n LEU 127 N -4.38 4.31 -4.58 -5.58 4.77 -0.96 -4.94 117.00 105.64 3knu n LEU 127 Ca -0.23 1.17 -0.43 0.00 -0.03 0.00 0.00 56.01 56.50 3knu n LEU 127 Cb 0.65 -1.58 -0.05 0.00 -2.33 0.00 0.00 43.42 40.11 3knu n LEU 127 CO 0.72 0.05 0.66 -1.58 -1.33 0.00 0.00 177.39 175.91 3knu s GLN 128 N -1.04 3.66 0.11 3.23 0.74 -0.30 -4.89 119.66 121.17 3knu s GLN 128 Ca 0.61 0.27 -0.28 0.00 0.05 0.00 0.00 55.36 56.00 3knu s GLN 128 Cb -0.51 -3.86 -0.06 0.00 1.10 0.00 0.00 33.01 29.68 3knu s GLN 128 CO 0.54 -1.01 0.90 -1.21 -0.55 0.00 0.00 175.29 173.96 3knu s GLU 129 N 3.38 4.65 -0.03 1.67 2.02 -1.26 -1.50 118.70 127.64 3knu s GLU 129 Ca 0.34 1.34 0.02 0.00 0.02 0.00 0.00 54.97 56.69 3knu s GLU 129 Cb -0.12 -3.36 0.01 0.00 0.10 0.00 0.00 34.13 30.76 3knu s GLU 129 CO 0.21 0.27 -0.07 0.08 0.02 0.00 0.00 175.26 175.77 3knu s VAL 130 N -0.17 0.64 -0.12 2.63 1.01 -0.31 -1.54 120.40 122.53 3knu s VAL 130 Ca 0.44 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.16 3knu s VAL 130 Cb -0.23 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 3knu s VAL 130 CO 0.28 0.21 -0.15 -0.55 0.00 0.00 0.00 175.10 174.89 3knu s SER 131 N 0.34 3.81 0.00 3.32 0.15 0.60 -1.39 113.70 120.53 3knu s SER 131 Ca -0.05 -0.38 0.28 0.00 0.70 0.00 0.00 55.95 56.50 3knu s SER 131 Cb -0.09 -1.57 0.99 0.00 -1.71 0.00 0.00 66.02 63.64 3knu s SER 131 CO 0.00 0.16 1.73 2.30 1.20 0.00 0.00 173.24 178.64 3knu n ILE 132 N 3.55 0.00 0.00 6.45 -5.35 -1.26 0.62 119.36 123.37 3knu n ILE 132 Ca -0.18 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 3knu n ILE 132 Cb 0.53 -0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 3knu n ILE 132 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3knu n GLY 133 N 1.41 0.42 2.97 3.28 0.00 -1.26 -4.71 105.19 107.30 3knu n GLY 133 Ca 0.09 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 3knu n GLY 133 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3knu n ASP 134 N 0.00 5.20 -3.60 1.61 2.03 -1.26 -4.90 116.55 115.63 3knu n ASP 134 Ca 0.00 -3.11 -0.16 0.00 0.52 0.00 0.00 54.79 52.04 3knu n ASP 134 Cb 0.00 -1.48 -0.07 0.00 -0.72 0.00 0.00 41.12 38.86 3knu n ASP 134 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3knu s TYR 135 N 0.35 -0.49 -0.30 -0.67 -0.85 -1.26 -5.14 117.35 108.99 3knu s TYR 135 Ca 0.39 0.78 -0.17 0.00 -0.52 0.00 0.00 57.07 57.55 3knu s TYR 135 Cb 0.07 0.31 -0.02 0.00 0.38 0.00 0.00 41.96 42.70 3knu s TYR 135 CO 0.01 -0.55 0.48 0.08 -1.52 0.00 0.00 175.55 174.04 3knu s VAL 136 N -1.45 5.08 0.42 -3.49 1.01 -1.26 -4.99 120.40 115.72 3knu s VAL 136 Ca -0.11 0.56 0.07 0.00 0.00 0.00 0.00 61.98 62.50 3knu s VAL 136 Cb -0.02 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.52 3knu s VAL 136 CO 0.06 -0.03 0.58 -0.76 0.00 0.00 0.00 175.10 174.96 3knu s LEU 137 N 2.28 3.67 0.42 3.92 1.43 -1.26 -5.04 118.68 124.09 3knu s LEU 137 Ca 0.18 -0.29 0.23 0.00 -1.03 0.00 0.00 54.13 53.22 3knu s LEU 137 Cb -0.16 -2.72 0.71 0.00 0.03 0.00 0.00 46.19 44.05 3knu s LEU 137 CO 0.11 -0.75 1.74 0.28 0.23 0.00 0.00 176.35 177.96 3knu h SER 138 N 0.60 0.00 -1.17 2.29 0.02 -1.98 -3.48 113.55 109.84 3knu h SER 138 Ca -0.42 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 60.61 3knu h SER 138 Cb 1.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 3knu h SER 138 CO 0.48 0.24 0.25 0.61 -1.14 0.00 0.00 176.83 177.27 3knu n GLY 139 N 0.46 0.87 0.01 -3.77 0.00 -1.26 -4.60 105.19 96.91 3knu n GLY 139 Ca 0.01 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 45.18 3knu n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knu n GLY 140 N -0.29 -1.40 0.10 -0.02 0.00 -0.08 -4.24 105.19 99.27 3knu n GLY 140 Ca -0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 3knu n GLY 140 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3knu h GLU 141 N 0.00 0.12 -0.67 1.61 3.07 -1.91 0.14 114.58 116.94 3knu h GLU 141 Ca 0.00 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 3knu h GLU 141 Cb 0.46 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.31 3knu h GLU 141 CO 0.00 0.08 0.32 -0.07 -1.40 0.00 0.00 179.01 177.94 3knu h LEU 142 N 0.12 0.86 -0.33 1.33 3.38 -2.00 -0.45 115.31 118.21 3knu h LEU 142 Ca 0.08 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3knu h LEU 142 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3knu h LEU 142 CO -0.10 0.73 -0.01 0.00 0.09 0.00 0.00 178.44 179.15 3knu h ALA 143 N 1.40 0.45 -0.67 1.53 0.00 -1.64 -1.21 119.26 119.12 3knu h ALA 143 Ca 0.23 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.95 3knu h ALA 143 Cb 0.10 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 3knu h ALA 143 CO -0.03 0.22 0.37 0.00 0.00 0.00 0.00 179.25 179.81 3knu h ALA 144 N 0.85 0.90 -0.74 0.00 0.00 -0.31 -1.48 119.26 118.48 3knu h ALA 144 Ca 0.09 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3knu h ALA 144 Cb 0.47 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3knu h ALA 144 CO 0.02 0.04 0.47 0.52 0.00 0.00 0.00 179.25 180.30 3knu h MET 145 N 0.68 0.99 -0.67 0.00 2.07 -0.80 -0.22 114.93 116.99 3knu h MET 145 Ca 0.30 -0.07 0.02 0.00 -2.07 0.00 0.00 59.70 57.88 3knu h MET 145 Cb 0.20 -0.22 -0.04 0.00 -1.87 0.00 0.00 31.60 29.68 3knu h MET 145 CO -0.19 0.68 0.43 0.28 1.07 0.00 0.00 176.91 179.18 3knu h VAL 146 N 1.01 1.13 -0.19 -2.22 2.07 -0.85 -0.64 116.25 116.57 3knu h VAL 146 Ca 0.27 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 3knu h VAL 146 Cb -0.08 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 3knu h VAL 146 CO -0.05 0.16 -0.07 0.40 0.02 0.00 0.00 177.57 178.03 3knu h ILE 147 N 0.86 1.30 -0.33 4.57 2.04 -0.82 -1.64 117.51 123.50 3knu h ILE 147 Ca 0.25 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 3knu h ILE 147 Cb -0.05 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3knu h ILE 147 CO -0.08 0.33 0.19 0.40 0.00 0.00 0.00 178.15 178.99 3knu h ILE 148 N 0.08 1.12 -0.10 -0.67 2.04 -0.84 -1.46 117.51 117.68 3knu h ILE 148 Ca 0.04 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3knu h ILE 148 Cb 0.53 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3knu h ILE 148 CO 0.02 0.12 0.07 -0.78 0.00 0.00 0.00 178.15 177.58 3knu h ASP 149 N 0.41 0.12 -0.27 1.72 3.58 -1.05 0.86 116.42 121.78 3knu h ASP 149 Ca 0.12 -0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.62 3knu h ASP 149 Cb 0.04 -0.03 -0.07 0.00 1.72 0.00 0.00 39.33 40.99 3knu h ASP 149 CO -0.02 0.09 -0.17 0.74 -2.88 0.00 0.00 179.24 177.01 3knu h THR 150 N 0.13 0.52 -0.13 2.25 2.02 -1.10 -2.37 112.91 114.22 3knu h THR 150 Ca 0.04 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 3knu h THR 150 Cb -0.00 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3knu h THR 150 CO -0.01 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.88 3knu h VAL 152 N -0.04 1.09 0.00 0.00 2.07 -0.65 0.09 116.25 118.81 3knu h VAL 152 Ca 0.04 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.53 3knu h VAL 152 Cb 0.38 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3knu h VAL 152 CO 0.01 0.28 0.01 0.03 0.02 0.00 0.00 177.57 177.92 3knu h ARG 153 N 0.00 0.00 -0.44 1.57 3.08 -1.51 -2.10 114.38 114.98 3knu h ARG 153 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3knu h ARG 153 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3knu h ARG 153 CO 0.04 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.61 3knu n MET 154 N -3.00 2.50 -2.81 0.04 2.81 0.02 -4.32 117.12 112.35 3knu n MET 154 Ca -0.03 -2.21 -0.41 0.00 -1.81 0.00 0.00 57.70 53.24 3knu n MET 154 Cb 0.07 -1.42 -0.04 0.00 -0.71 0.00 0.00 33.22 31.12 3knu n MET 154 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3knu s VAL 155 N -1.12 4.67 0.19 2.03 1.01 -0.79 -5.00 120.40 121.39 3knu s VAL 155 Ca 0.34 1.91 -0.31 0.00 0.00 0.00 0.00 61.98 63.92 3knu s VAL 155 Cb 0.19 -4.25 -0.10 0.00 0.00 0.00 0.00 36.38 32.22 3knu s VAL 155 CO 0.25 0.29 1.47 -2.16 0.00 0.00 0.00 175.10 174.96 3knu s PRO 156 N 0.23 4.26 0.00 2.72 0.04 -1.26 -2.57 135.00 138.43 3knu s PRO 156 Ca 0.45 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.77 3knu s PRO 156 Cb -0.22 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.17 3knu s PRO 156 CO 0.27 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.23 3knu n GLY 157 N 3.01 2.43 0.14 0.56 0.00 -1.26 -4.95 105.19 105.13 3knu n GLY 157 Ca 0.10 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 3knu n GLY 157 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3knu h VAL 158 N 0.00 0.82 0.00 1.61 2.07 -1.79 -3.50 116.25 115.45 3knu h VAL 158 Ca 0.00 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.46 3knu h VAL 158 Cb 0.00 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3knu h VAL 158 CO 0.00 0.20 0.00 -0.38 0.02 0.00 0.00 177.57 177.41 3knu n ILE 159 N -4.95 0.00 -1.53 4.57 2.08 -1.26 -4.87 119.36 113.41 3knu n ILE 159 Ca -0.08 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.23 3knu n ILE 159 Cb 0.26 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.15 3knu n ILE 159 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3knu n LEU 174 N 0.00 -0.40 -3.42 1.39 -0.00 -1.26 -5.15 117.00 108.16 3knu n LEU 174 Ca 0.00 1.14 -0.27 0.00 -0.00 0.00 0.00 56.01 56.88 3knu n LEU 174 Cb 0.00 -1.61 -0.10 0.00 -0.00 0.00 0.00 43.42 41.71 3knu n LEU 174 CO 0.00 -0.07 -0.31 -1.83 -0.00 0.00 0.00 177.39 175.18 3knu s GLU 175 N -1.00 0.94 0.41 1.47 1.03 -1.26 -5.15 118.70 115.15 3knu s GLU 175 Ca 0.00 -2.09 0.03 0.00 0.03 0.00 0.00 54.97 52.94 3knu s GLU 175 Cb 0.00 -1.50 -0.00 0.00 -0.80 0.00 0.00 34.13 31.82 3knu s GLU 175 CO 0.00 -1.37 0.60 1.52 -1.33 0.00 0.00 175.26 174.69 3knu s TYR 176 N 0.09 3.15 0.57 4.83 1.13 -1.26 -4.77 117.35 121.08 3knu s TYR 176 Ca 0.31 0.03 -0.20 0.00 -1.41 0.00 0.00 57.07 55.81 3knu s TYR 176 Cb 0.01 -2.23 -0.04 0.00 -1.10 0.00 0.00 41.96 38.60 3knu s TYR 176 CO -0.18 -0.27 1.22 -1.25 -2.51 0.00 0.00 175.55 172.57 3knu s PRO 177 N -4.42 3.12 0.17 -3.49 0.04 -1.26 -5.04 135.00 124.11 3knu s PRO 177 Ca 0.48 1.86 0.08 0.00 0.04 0.00 0.00 61.00 63.46 3knu s PRO 177 Cb -0.10 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 3knu s PRO 177 CO 0.35 -1.10 -0.17 -0.65 0.04 0.00 0.00 177.00 175.47 3knu s GLN 178 N -3.19 1.26 0.01 4.56 -0.21 -1.26 -5.08 119.66 115.75 3knu s GLN 178 Ca 0.75 -1.41 -0.05 0.00 0.02 0.00 0.00 55.36 54.66 3knu s GLN 178 Cb -0.31 -1.27 -0.00 0.00 1.00 0.00 0.00 33.01 32.42 3knu s GLN 178 CO 0.35 0.25 0.09 0.71 -2.12 0.00 0.00 175.29 174.57 3knu s TYR 179 N -2.16 0.10 0.29 0.91 1.51 -1.26 -5.16 117.35 111.58 3knu s TYR 179 Ca 0.16 -0.24 0.02 0.00 -1.01 0.00 0.00 57.07 55.99 3knu s TYR 179 Cb -0.05 -0.09 -0.00 0.00 -0.11 0.00 0.00 41.96 41.71 3knu s TYR 179 CO 0.06 -0.26 0.35 -2.37 -1.11 0.00 0.00 175.55 172.22 3knu n THR 180 N 1.50 0.00 -1.22 -0.71 5.66 -1.26 -5.15 114.28 113.10 3knu n THR 180 Ca -0.23 -1.72 -0.34 0.00 -3.05 0.00 0.00 64.05 58.71 3knu n THR 180 Cb 0.55 0.97 0.12 0.00 -1.55 0.00 0.00 70.33 70.42 3knu n THR 180 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 3knu n ARG 181 N -0.51 0.36 -2.14 1.09 0.00 -1.26 -4.60 116.66 109.59 3knu n ARG 181 Ca 0.03 0.20 -0.29 0.00 -0.00 0.00 0.00 57.85 57.79 3knu n ARG 181 Cb 0.50 -2.46 0.03 0.00 -0.00 0.00 0.00 32.46 30.53 3knu n ARG 181 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3knu s PRO 182 N -3.98 3.01 0.44 2.89 0.04 -1.26 -5.07 135.00 131.06 3knu s PRO 182 Ca 0.75 0.28 0.14 0.00 0.04 0.00 0.00 61.00 62.21 3knu s PRO 182 Cb -0.31 -2.15 0.96 0.00 0.04 0.00 0.00 34.50 33.04 3knu s PRO 182 CO 0.49 -0.79 1.98 0.00 0.04 0.00 0.00 177.00 178.71 3knu h ALA 183 N -0.36 1.66 -3.57 8.56 0.00 -1.93 -3.41 119.26 120.21 3knu h ALA 183 Ca -0.45 -0.18 -0.48 0.00 0.00 0.00 0.00 54.91 53.80 3knu h ALA 183 Cb 1.24 -0.04 -0.33 0.00 0.00 0.00 0.00 17.79 18.67 3knu h ALA 183 CO 0.62 0.25 -0.80 0.45 0.00 0.00 0.00 179.25 179.77 3knu s SER 184 N -6.99 1.51 -0.10 0.00 0.15 -1.26 -2.35 113.70 104.67 3knu s SER 184 Ca -0.04 -0.24 -0.04 0.00 0.70 0.00 0.00 55.95 56.33 3knu s SER 184 Cb 0.16 -0.61 0.05 0.00 -1.71 0.00 0.00 66.02 63.91 3knu s SER 184 CO 0.70 0.04 0.20 0.86 1.20 0.00 0.00 173.24 176.24 3knu s TRP 185 N 0.54 -0.28 -1.41 3.44 -0.00 -0.30 -4.86 118.94 116.07 3knu s TRP 185 Ca -0.10 0.74 -0.10 0.00 -0.00 0.00 0.00 56.10 56.63 3knu s TRP 185 Cb -0.13 -0.13 0.07 0.00 -0.00 0.00 0.00 33.47 33.28 3knu s TRP 185 CO 0.02 -0.28 0.64 1.63 -0.00 0.00 0.00 176.95 178.96 3knu n LYS 186 N 5.10 -4.08 -0.95 5.86 5.02 -1.26 -0.54 118.16 127.30 3knu n LYS 186 Ca -0.10 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 3knu n LYS 186 Cb 0.50 -5.33 0.00 0.00 -0.02 0.00 0.00 35.03 30.18 3knu n LYS 186 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knu n GLY 187 N -1.36 0.78 3.56 0.72 0.00 -1.26 -5.01 105.19 102.62 3knu n GLY 187 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3knu n GLY 187 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3knu s MET 188 N -0.05 3.84 0.08 1.61 -1.94 0.29 -5.08 119.30 118.05 3knu s MET 188 Ca 0.00 -0.40 0.03 0.00 -1.71 0.00 0.00 55.69 53.61 3knu s MET 188 Cb 0.00 -3.28 -0.04 0.00 2.01 0.00 0.00 34.83 33.52 3knu s MET 188 CO 0.00 0.06 0.08 -1.21 -0.01 0.00 0.00 175.02 173.94 3knu s GLU 189 N 0.95 2.89 0.32 2.03 2.02 -1.26 -1.15 118.70 124.50 3knu s GLU 189 Ca 0.04 -0.68 -0.29 0.00 0.02 0.00 0.00 54.97 54.06 3knu s GLU 189 Cb -0.14 -2.73 -0.10 0.00 0.10 0.00 0.00 34.13 31.26 3knu s GLU 189 CO 0.03 0.57 1.24 0.08 0.02 0.00 0.00 175.26 177.19 3knu s VAL 190 N -1.39 2.97 -0.03 2.63 1.01 -0.99 -4.93 120.40 119.68 3knu s VAL 190 Ca 0.29 0.97 -0.37 0.00 0.00 0.00 0.00 61.98 62.87 3knu s VAL 190 Cb -0.12 -3.61 -0.16 0.00 0.00 0.00 0.00 36.38 32.48 3knu s VAL 190 CO 0.22 0.22 1.51 -2.65 0.00 0.00 0.00 175.10 174.40 3knu n PRO 191 N 0.87 1.28 -0.05 2.72 -0.02 -1.26 -4.83 135.00 133.71 3knu n PRO 191 Ca -0.00 0.47 0.02 0.00 -2.02 0.00 0.00 63.50 61.97 3knu n PRO 191 Cb 0.43 -2.14 0.36 0.00 -0.02 0.00 0.00 33.50 32.13 3knu n PRO 191 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3knu h GLU 192 N 5.71 0.65 -0.99 -0.52 4.81 -2.01 -2.08 114.58 120.14 3knu h GLU 192 Ca -0.47 -0.05 0.26 0.00 -0.13 0.00 0.00 59.36 58.96 3knu h GLU 192 Cb 1.32 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.49 3knu h GLU 192 CO 0.85 0.46 0.67 -0.24 -0.73 0.00 0.00 179.01 180.02 3knu h VAL 193 N 0.66 0.56 0.00 0.32 3.04 -1.98 0.14 116.25 118.99 3knu h VAL 193 Ca 0.17 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.77 3knu h VAL 193 Cb -0.02 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 29.53 3knu h VAL 193 CO -0.03 0.05 0.00 0.18 -1.01 0.00 0.00 177.57 176.76 3knu n LEU 194 N -4.46 0.57 -0.76 3.16 4.77 -0.78 -1.97 117.00 117.53 3knu n LEU 194 Ca 0.22 0.67 0.08 0.00 -0.03 0.00 0.00 56.01 56.96 3knu n LEU 194 Cb 0.89 -0.63 0.12 0.00 -2.33 0.00 0.00 43.42 41.47 3knu n LEU 194 CO 0.32 -0.63 0.57 0.18 -1.33 0.00 0.00 177.39 176.50 3knu n LEU 195 N -2.16 2.71 0.03 2.23 4.77 0.50 -4.53 117.00 120.54 3knu n LEU 195 Ca 0.01 -1.33 0.12 0.00 -0.03 0.00 0.00 56.01 54.78 3knu n LEU 195 Cb 0.17 -0.12 0.29 0.00 -2.33 0.00 0.00 43.42 41.43 3knu n LEU 195 CO 0.16 0.56 0.52 0.35 -1.33 0.00 0.00 177.39 177.66 3knu n THR 196 N 0.95 0.16 -1.65 -5.08 -2.24 -0.83 -4.92 114.28 100.67 3knu n THR 196 Ca 0.12 -0.12 -0.21 0.00 -2.27 0.00 0.00 64.05 61.58 3knu n THR 196 Cb 0.45 -0.06 -0.08 0.00 -2.10 0.00 0.00 70.33 68.54 3knu n THR 196 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3knu n GLY 197 N 1.43 1.80 3.37 3.38 0.00 -1.26 -4.93 105.19 108.99 3knu n GLY 197 Ca 0.05 -0.02 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 3knu n GLY 197 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3knu s ASN 198 N -2.73 6.65 0.20 1.61 3.84 -1.26 -4.90 114.94 118.34 3knu s ASN 198 Ca 0.00 -2.33 -0.11 0.00 0.21 0.00 0.00 52.86 50.63 3knu s ASN 198 Cb 0.00 -2.28 0.26 0.00 -0.55 0.00 0.00 41.25 38.68 3knu s ASN 198 CO 0.00 -0.79 1.72 -0.74 -2.79 0.00 0.00 177.10 174.49 3knu h HIS 199 N 8.29 0.24 -0.72 0.43 -0.00 -1.95 -0.06 115.15 121.39 3knu h HIS 199 Ca 0.07 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.45 3knu h HIS 199 Cb 1.04 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 28.40 3knu h HIS 199 CO 1.05 0.01 0.36 0.78 -0.00 0.00 0.00 177.93 180.13 3knu h GLY 200 N 0.29 1.10 1.81 5.26 0.00 -1.99 -1.35 103.07 108.19 3knu h GLY 200 Ca 0.29 -0.54 -0.17 0.00 0.00 0.00 0.00 47.33 46.91 3knu h GLY 200 CO -0.35 0.51 -0.77 0.83 0.00 0.00 0.00 176.54 176.76 3knu h GLU 201 N 1.00 0.18 -0.52 4.80 4.39 -1.73 -2.04 114.58 120.65 3knu h GLU 201 Ca 0.25 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.73 3knu h GLU 201 Cb 0.10 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3knu h GLU 201 CO -0.03 0.86 0.10 0.82 -1.16 0.00 0.00 179.01 179.60 3knu h ILE 202 N 0.11 1.25 -0.07 3.13 2.04 -0.90 -0.57 117.51 122.49 3knu h ILE 202 Ca -0.03 -0.92 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 3knu h ILE 202 Cb 1.35 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 3knu h ILE 202 CO 0.12 0.33 0.03 -0.33 0.00 0.00 0.00 178.15 178.30 3knu h GLU 203 N 0.74 0.11 -0.65 2.37 5.08 -1.16 -1.44 114.58 119.63 3knu h GLU 203 Ca 0.16 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.59 3knu h GLU 203 Cb 0.38 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.54 3knu h GLU 203 CO 0.01 0.20 0.30 -0.22 -1.00 0.00 0.00 179.01 178.30 3knu h LYS 204 N -0.02 0.52 -0.39 2.33 3.64 -1.33 -1.31 116.57 120.01 3knu h LYS 204 Ca 0.02 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 3knu h LYS 204 Cb 0.13 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3knu h LYS 204 CO -0.00 0.34 0.01 2.35 -2.27 0.00 0.00 179.45 179.88 3knu h TRP 205 N 0.53 0.74 -0.55 1.91 7.01 -0.86 -1.88 115.95 122.86 3knu h TRP 205 Ca 0.32 -0.12 -0.10 0.00 2.11 0.00 0.00 58.89 61.09 3knu h TRP 205 Cb 0.33 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.18 3knu h TRP 205 CO -0.12 0.76 -0.05 0.00 -2.79 0.00 0.00 178.44 176.23 3knu h ARG 206 N 0.51 0.99 -0.24 2.65 3.08 -1.06 0.19 114.38 120.50 3knu h ARG 206 Ca 0.11 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3knu h ARG 206 Cb 0.46 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3knu h ARG 206 CO 0.02 1.00 0.16 0.00 -1.07 0.00 0.00 179.97 180.08 3knu h ARG 207 N 0.89 0.31 -0.11 0.04 3.08 -1.13 -2.32 114.38 115.16 3knu h ARG 207 Ca 0.15 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 60.07 3knu h ARG 207 Cb 0.60 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3knu h ARG 207 CO 0.04 0.21 -0.44 -0.91 -1.07 0.00 0.00 179.97 177.80 3knu h ASN 208 N 0.32 0.27 1.17 7.04 2.35 -1.17 -3.11 115.58 122.45 3knu h ASN 208 Ca 0.09 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3knu h ASN 208 Cb -0.03 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.26 3knu h ASN 208 CO -0.02 0.68 0.00 0.00 -1.65 0.00 0.00 177.43 176.44 3knu h ALA 209 N 1.34 1.00 -0.53 -0.83 0.00 -0.46 -2.97 119.26 116.81 3knu h ALA 209 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3knu h ALA 209 Cb 0.86 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3knu h ALA 209 CO 0.07 0.00 0.04 -1.13 0.00 0.00 0.00 179.25 178.23 3knu n SER 210 N -2.35 5.00 -0.09 0.00 3.41 -0.89 -3.60 113.62 115.11 3knu n SER 210 Ca 0.04 -2.85 -0.13 0.00 -0.26 0.00 0.00 58.87 55.67 3knu n SER 210 Cb 0.35 -0.67 -0.05 0.00 -0.26 0.00 0.00 64.21 63.57 3knu n SER 210 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3knu n LEU 211 N 0.43 1.85 0.00 1.04 4.77 -1.12 -4.90 117.00 119.07 3knu n LEU 211 Ca 0.26 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.75 3knu n LEU 211 Cb 1.11 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3knu n LEU 211 CO 0.30 -0.13 0.15 -1.20 -1.33 0.00 0.00 177.39 175.18