#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knu s MET 1 N 0.00 4.35 -0.21 -1.46 -2.45 -1.23 -4.92 119.30 113.38 3knu s MET 1 Ca 0.00 0.66 -0.06 0.00 -1.25 0.00 0.00 55.69 55.04 3knu s MET 1 Cb 0.00 -3.47 -0.03 0.00 1.25 0.00 0.00 34.83 32.58 3knu s MET 1 CO 0.00 0.03 0.02 0.42 1.05 0.00 0.00 175.02 176.54 3knu s ILE 2 N 0.99 4.11 -0.18 10.11 1.01 0.63 -1.33 121.20 136.54 3knu s ILE 2 Ca 0.31 -0.25 -0.03 0.00 0.00 0.00 0.00 60.65 60.68 3knu s ILE 2 Cb -0.16 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 3knu s ILE 2 CO 0.13 0.41 -0.06 -0.36 0.00 0.00 0.00 174.94 175.06 3knu s PHE 3 N 1.09 2.94 -0.24 3.97 0.08 0.20 -1.02 117.98 125.01 3knu s PHE 3 Ca 0.03 -0.63 -0.05 0.00 0.12 0.00 0.00 56.93 56.39 3knu s PHE 3 Cb -0.14 -1.99 -0.01 0.00 -0.57 0.00 0.00 43.02 40.31 3knu s PHE 3 CO 0.02 -0.28 0.01 -0.80 -0.10 0.00 0.00 175.22 174.06 3knu s ASN 4 N 0.81 4.66 -0.18 1.36 0.01 0.53 -0.51 114.94 121.62 3knu s ASN 4 Ca -0.02 -0.39 -0.05 0.00 -0.71 0.00 0.00 52.86 51.69 3knu s ASN 4 Cb -0.15 -1.81 -0.03 0.00 0.41 0.00 0.00 41.25 39.67 3knu s ASN 4 CO 0.01 -0.05 0.00 -0.69 -1.51 0.00 0.00 177.10 174.87 3knu s VAL 5 N 1.52 4.16 -0.23 1.60 1.01 0.79 0.44 120.40 129.68 3knu s VAL 5 Ca 0.05 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 3knu s VAL 5 Cb -0.15 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 3knu s VAL 5 CO -0.01 0.46 0.01 -0.76 0.00 0.00 0.00 175.10 174.80 3knu s LEU 6 N 0.61 3.13 -0.06 3.92 1.43 -0.30 -0.54 118.68 126.87 3knu s LEU 6 Ca -0.00 -0.31 -0.18 0.00 -1.03 0.00 0.00 54.13 52.61 3knu s LEU 6 Cb -0.14 -1.82 0.04 0.00 0.03 0.00 0.00 46.19 44.30 3knu s LEU 6 CO 0.02 -0.02 0.42 0.28 0.23 0.00 0.00 176.35 177.27 3knu s THR 7 N 1.53 0.03 -2.25 5.49 -1.32 -0.89 -0.73 115.64 117.50 3knu s THR 7 Ca 0.06 -0.25 0.24 0.00 -1.21 0.00 0.00 61.69 60.53 3knu s THR 7 Cb -0.15 -0.69 0.57 0.00 -1.51 0.00 0.00 72.50 70.72 3knu s THR 7 CO -0.00 -0.14 1.74 2.30 -2.21 0.00 0.00 174.62 176.31 3knu n ILE 8 N 1.64 0.08 -3.15 5.08 -5.35 -1.26 -1.26 119.36 115.14 3knu n ILE 8 Ca -0.19 -0.20 -0.26 0.00 -0.27 0.00 0.00 62.75 61.83 3knu n ILE 8 Cb 0.56 0.16 -0.06 0.00 -1.74 0.00 0.00 39.64 38.57 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 -0.12 3.26 0.28 4.28 3.72 -1.26 -4.91 117.46 122.70 3knu n PHE 9 Ca 0.18 -4.01 0.14 0.00 -0.05 0.00 0.00 57.45 53.71 3knu n PHE 9 Cb 0.26 -0.50 0.80 0.00 -0.94 0.00 0.00 39.48 39.10 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 3.47 0.00 0.00 -1.08 0.13 -1.91 -2.53 132.00 130.08 3knu h PRO 10 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3knu h PRO 10 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 3knu h PRO 10 CO 0.77 0.08 0.00 0.00 -0.23 0.00 0.00 178.00 178.62 3knu n GLN 11 N -3.67 0.10 0.23 0.86 0.00 -1.26 -2.11 117.38 111.53 3knu n GLN 11 Ca -0.02 0.41 0.15 0.00 0.00 0.00 0.00 57.00 57.53 3knu n GLN 11 Cb 0.18 -1.72 0.46 0.00 0.00 0.00 0.00 30.24 29.17 3knu n GLN 11 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 3knu h MET 12 N 0.00 0.00 -6.10 2.61 2.86 -1.89 -3.46 114.93 108.96 3knu h MET 12 Ca 0.00 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 57.02 3knu h MET 12 Cb 0.23 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.83 3knu h MET 12 CO 0.00 0.00 -0.56 -0.06 1.06 0.00 0.00 176.91 177.35 3knu s PHE 13 N -3.43 3.30 0.03 -0.22 0.40 -0.90 -2.74 117.98 114.42 3knu s PHE 13 Ca 0.04 0.12 0.30 0.00 -0.60 0.00 0.00 56.93 56.79 3knu s PHE 13 Cb 0.08 -1.65 1.14 0.00 0.51 0.00 0.00 43.02 43.09 3knu s PHE 13 CO 0.58 0.54 1.90 -1.00 0.70 0.00 0.00 175.22 177.94 3knu h PRO 14 N 3.05 0.00 0.00 0.24 0.13 -1.88 -3.50 132.00 130.04 3knu h PRO 14 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3knu h PRO 14 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3knu h PRO 14 CO 0.69 0.05 0.00 0.41 -0.23 0.00 0.00 178.00 178.91 3knu n GLY 15 N 0.21 3.43 0.34 1.56 0.00 -1.11 -0.87 105.19 108.76 3knu n GLY 15 Ca 0.01 -0.16 0.18 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.30 132.00 130.43 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 -3.40 0.00 -1.23 2.35 4.77 -0.04 -3.18 117.00 116.26 3knu n LEU 17 Ca 0.00 0.37 0.11 0.00 -0.03 0.00 0.00 56.01 56.47 3knu n LEU 17 Cb 0.32 -0.37 0.28 0.00 -2.33 0.00 0.00 43.42 41.32 3knu n LEU 17 CO 0.22 -0.09 0.74 0.61 -1.33 0.00 0.00 177.39 177.54 3knu n GLY 18 N 0.71 2.32 3.62 -0.72 0.00 -0.49 -3.19 105.19 107.45 3knu n GLY 18 Ca 0.09 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.11 3.70 0.00 1.61 1.01 -1.19 -4.25 120.40 120.18 3knu s VAL 19 Ca 0.44 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3knu s VAL 19 Cb 0.23 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.91 3knu s VAL 19 CO 0.31 0.21 0.00 -0.24 0.00 0.00 0.00 175.10 175.38 3knu n SER 20 N 0.94 0.00 -0.36 3.32 2.88 -1.26 -2.21 113.62 116.92 3knu n SER 20 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 3knu n SER 20 Cb 0.52 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.12 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 7.28 1.06 -0.38 -3.46 4.21 -1.96 -0.85 115.58 121.47 3knu h ASN 21 Ca 0.00 -0.01 0.03 0.00 1.21 0.00 0.00 56.30 57.53 3knu h ASN 21 Cb 0.00 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 36.93 3knu h ASN 21 CO 0.00 0.72 0.18 -0.07 -1.29 0.00 0.00 177.43 176.97 3knu h LEU 22 N 1.22 0.25 -0.46 1.61 3.38 -1.82 -1.04 115.31 118.45 3knu h LEU 22 Ca 0.39 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.24 3knu h LEU 22 Cb 0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3knu h LEU 22 CO -0.13 0.19 -0.26 1.23 0.09 0.00 0.00 178.44 179.56 3knu h GLY 23 N 0.37 1.08 1.64 0.83 0.00 -0.81 -1.88 103.07 104.30 3knu h GLY 23 Ca 0.16 -0.99 -0.19 0.00 0.00 0.00 0.00 47.33 46.32 3knu h GLY 23 CO -0.13 0.90 -0.76 1.48 0.00 0.00 0.00 176.54 178.03 3knu h SER 24 N 0.84 0.41 0.41 0.19 4.64 -1.12 -1.30 113.55 117.62 3knu h SER 24 Ca 0.10 -0.29 -0.05 0.00 -0.47 0.00 0.00 61.79 61.09 3knu h SER 24 Cb 0.85 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 3knu h SER 24 CO 0.08 1.03 -0.23 0.00 -0.87 0.00 0.00 176.83 176.84 3knu h ALA 25 N 0.96 1.34 -0.04 5.18 0.00 -1.11 0.74 119.26 126.32 3knu h ALA 25 Ca -0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3knu h ALA 25 Cb 1.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3knu h ALA 25 CO 0.13 0.28 -0.08 1.25 0.00 0.00 0.00 179.25 180.83 3knu h LEU 26 N 0.00 0.15 -0.67 0.00 5.85 -1.02 -0.08 115.31 119.54 3knu h LEU 26 Ca -0.00 -0.56 0.05 0.00 0.84 0.00 0.00 57.88 58.21 3knu h LEU 26 Cb 0.49 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 3knu h LEU 26 CO 0.03 0.68 0.39 0.11 -0.34 0.00 0.00 178.44 179.31 3knu h LYS 27 N -0.38 0.71 0.00 1.25 6.56 -0.93 -1.69 116.57 122.09 3knu h LYS 27 Ca 0.00 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 3knu h LYS 27 Cb 0.65 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 3knu h LYS 27 CO 0.02 0.47 0.00 1.63 -2.06 0.00 0.00 179.45 179.51 3knu n LYS 28 N -4.75 0.12 -1.00 3.15 5.02 0.22 -4.89 118.16 116.03 3knu n LYS 28 Ca 0.08 0.39 -0.00 0.00 -2.02 0.00 0.00 58.31 56.76 3knu n LYS 28 Cb 0.14 -1.74 -0.00 0.00 -0.02 0.00 0.00 35.03 33.42 3knu n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knu n GLY 29 N -0.17 0.45 0.24 0.72 0.00 -0.59 -4.91 105.19 100.93 3knu n GLY 29 Ca 0.02 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 -8.37 0.99 3.38 -1.30 -3.45 115.31 106.56 3knu h LEU 30 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3knu h LEU 30 Cb 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.63 3knu h LEU 30 CO 0.00 0.17 -0.41 -1.66 0.09 0.00 0.00 178.44 176.63 3knu s TRP 31 N -3.96 0.74 -0.03 1.13 1.48 -1.23 -3.52 118.94 113.54 3knu s TRP 31 Ca -0.01 -1.04 0.02 0.00 -1.06 0.00 0.00 56.10 54.01 3knu s TRP 31 Cb 0.12 -0.22 0.01 0.00 -1.16 0.00 0.00 33.47 32.21 3knu s TRP 31 CO 0.61 -0.75 -0.09 0.99 -4.06 0.00 0.00 176.95 173.64 3knu s THR 32 N -4.07 0.83 -0.25 0.66 2.01 -0.44 -4.58 115.64 109.81 3knu s THR 32 Ca 0.28 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.93 3knu s THR 32 Cb 0.04 -0.75 0.05 0.00 0.01 0.00 0.00 72.50 71.84 3knu s THR 32 CO 0.08 0.27 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.95 3knu s LEU 33 N 0.32 3.27 -0.23 4.42 2.96 -1.26 -0.63 118.68 127.54 3knu s LEU 33 Ca -0.06 -1.18 -0.06 0.00 -0.22 0.00 0.00 54.13 52.61 3knu s LEU 33 Cb -0.10 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 3knu s LEU 33 CO 0.01 -0.16 0.03 0.20 -1.32 0.00 0.00 176.35 175.11 3knu s ASN 34 N 1.19 4.94 -0.33 3.68 0.01 0.34 -5.00 114.94 119.76 3knu s ASN 34 Ca -0.05 -0.22 -0.03 0.00 -0.71 0.00 0.00 52.86 51.85 3knu s ASN 34 Cb -0.18 -1.87 0.06 0.00 0.41 0.00 0.00 41.25 39.67 3knu s ASN 34 CO -0.06 0.01 0.07 -0.69 -1.51 0.00 0.00 177.10 174.92 3knu s VAL 35 N 1.36 3.27 -0.16 1.60 1.01 -1.26 -0.15 120.40 126.07 3knu s VAL 35 Ca 0.05 -1.46 -0.20 0.00 0.00 0.00 0.00 61.98 60.36 3knu s VAL 35 Cb -0.15 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 3knu s VAL 35 CO 0.02 -0.26 0.57 -0.36 0.00 0.00 0.00 175.10 175.07 3knu s PHE 36 N 1.27 3.43 -0.55 5.22 0.08 0.30 -4.97 117.98 122.76 3knu s PHE 36 Ca -0.01 0.92 -0.26 0.00 0.12 0.00 0.00 56.93 57.69 3knu s PHE 36 Cb -0.20 -2.70 0.03 0.00 -0.57 0.00 0.00 43.02 39.58 3knu s PHE 36 CO -0.01 -0.04 1.05 0.34 -0.10 0.00 0.00 175.22 176.46 3knu s ASP 37 N 1.00 6.42 0.34 1.36 -1.08 -1.26 -2.09 116.67 121.36 3knu s ASP 37 Ca 0.28 -0.06 0.04 0.00 -0.52 0.00 0.00 52.55 52.29 3knu s ASP 37 Cb -0.16 -2.49 0.67 0.00 -1.46 0.00 0.00 42.92 39.48 3knu s ASP 37 CO 0.11 -1.30 1.95 0.40 0.52 0.00 0.00 175.17 176.84 3knu h ILE 38 N 6.10 1.04 -0.61 4.11 2.04 -1.54 -0.82 117.51 127.84 3knu h ILE 38 Ca -0.25 -0.29 0.15 0.00 1.00 0.00 0.00 64.86 65.46 3knu h ILE 38 Cb 1.07 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 3knu h ILE 38 CO 1.12 0.16 0.42 0.03 0.00 0.00 0.00 178.15 179.88 3knu h ARG 39 N 0.85 0.16 0.00 2.37 3.08 -1.91 -1.58 114.38 117.35 3knu h ARG 39 Ca 0.33 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.37 3knu h ARG 39 Cb 0.22 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3knu h ARG 39 CO -0.11 0.11 0.00 0.00 -1.07 0.00 0.00 179.97 178.89 3knu n ALA 40 N -2.59 1.30 0.01 0.04 0.00 -0.31 -2.28 120.51 116.69 3knu n ALA 40 Ca 0.11 0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.77 3knu n ALA 40 Cb 0.56 -1.33 0.16 0.00 0.00 0.00 0.00 19.45 18.84 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 -2.21 0.44 0.29 0.00 3.01 -0.59 -4.55 117.46 113.85 3knu n PHE 41 Ca 0.00 -0.35 -0.14 0.00 1.01 0.00 0.00 57.45 57.97 3knu n PHE 41 Cb 0.12 -0.01 -0.07 0.00 -0.01 0.00 0.00 39.48 39.50 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 2.80 -0.78 -5.80 4.37 0.00 -1.55 -3.43 119.26 114.88 3knu h ALA 42 Ca 0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 3knu h ALA 42 Cb 0.76 0.30 0.02 0.00 0.00 0.00 0.00 17.79 18.87 3knu h ALA 42 CO 0.00 -0.78 -0.41 0.09 0.00 0.00 0.00 179.25 178.15 3knu n ASN 43 N -5.32 -6.79 -3.15 0.00 3.02 -1.26 -4.88 115.26 96.89 3knu n ASN 43 Ca -0.11 -0.42 -0.08 0.00 -0.03 0.00 0.00 54.58 53.94 3knu n ASN 43 Cb 0.34 -4.23 0.01 0.00 -0.61 0.00 0.00 39.78 35.29 3knu n ASN 43 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3knu s ASN 44 N -3.06 -0.06 0.41 6.41 2.20 -1.26 -5.06 114.94 114.52 3knu s ASN 44 Ca 0.07 -1.02 -0.27 0.00 -0.94 0.00 0.00 52.86 50.70 3knu s ASN 44 Cb -0.02 0.82 -0.09 0.00 -2.00 0.00 0.00 41.25 39.96 3knu s ASN 44 CO 0.80 -1.61 1.38 -1.59 -2.94 0.00 0.00 177.10 173.14 3knu s LYS 45 N -2.69 3.95 0.00 3.55 0.00 -1.26 -2.23 119.74 121.06 3knu s LYS 45 Ca 0.14 2.34 0.00 0.00 0.00 0.00 0.00 55.97 58.46 3knu s LYS 45 Cb -0.05 -2.81 0.00 0.00 0.00 0.00 0.00 37.83 34.97 3knu s LYS 45 CO 0.10 -0.57 0.00 -2.39 0.00 0.00 0.00 175.35 172.49 3knu n HIS 46 N 0.17 0.00 -3.05 1.78 -0.00 -1.26 -4.02 115.22 108.85 3knu n HIS 46 Ca 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.70 3knu n HIS 46 Cb 0.42 -0.60 0.00 0.00 -0.00 0.00 0.00 29.99 29.81 3knu n HIS 46 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3knu n ASN 47 N 0.00 -7.64 -4.70 4.39 5.03 -0.95 -5.00 115.26 106.39 3knu n ASN 47 Ca 0.00 0.06 -0.37 0.00 0.87 0.00 0.00 54.58 55.14 3knu n ASN 47 Cb 0.00 -5.06 -0.07 0.00 -1.02 0.00 0.00 39.78 33.63 3knu n ASN 47 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3knu s THR 48 N -2.85 5.24 -0.30 3.41 -4.23 -1.26 -4.95 115.64 110.71 3knu s THR 48 Ca 0.08 0.68 0.22 0.00 -1.18 0.00 0.00 61.69 61.50 3knu s THR 48 Cb -0.02 -3.70 -0.17 0.00 1.34 0.00 0.00 72.50 69.94 3knu s THR 48 CO 0.77 0.32 0.82 1.33 -0.54 0.00 0.00 174.62 177.32 3knu n VAL 49 N 3.90 0.23 -4.26 2.29 0.24 -1.26 -4.87 118.33 114.60 3knu n VAL 49 Ca -0.10 -0.42 -0.14 0.00 -2.04 0.00 0.00 64.34 61.64 3knu n VAL 49 Cb 0.51 0.01 -0.10 0.00 -1.47 0.00 0.00 33.84 32.79 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 -4.53 1.77 0.16 -1.34 -4.77 -1.26 -0.38 116.67 106.32 3knu s ASP 50 Ca -0.02 -1.04 -0.23 0.00 -3.30 0.00 0.00 52.55 47.96 3knu s ASP 50 Cb 0.13 -0.00 0.07 0.00 -1.09 0.00 0.00 42.92 42.02 3knu s ASP 50 CO 0.84 -0.36 0.66 -0.62 0.70 0.00 0.00 175.17 176.39 3knu s ASP 51 N -3.18 -0.49 0.35 2.11 -1.08 -0.51 -4.89 116.67 108.98 3knu s ASP 51 Ca 0.18 -0.11 -0.28 0.00 -0.52 0.00 0.00 52.55 51.83 3knu s ASP 51 Cb 0.03 0.59 -0.10 0.00 -1.46 0.00 0.00 42.92 41.99 3knu s ASP 51 CO 0.01 -0.99 1.25 0.42 0.52 0.00 0.00 175.17 176.38 3knu s THR 52 N -3.70 2.90 0.34 1.71 -4.23 -1.26 -1.23 115.64 110.17 3knu s THR 52 Ca 0.03 0.86 -0.29 0.00 -1.18 0.00 0.00 61.69 61.12 3knu s THR 52 Cb -0.02 -3.53 -0.10 0.00 1.34 0.00 0.00 72.50 70.18 3knu s THR 52 CO -0.09 0.17 1.35 -2.16 -0.54 0.00 0.00 174.62 173.35 3knu s PRO 53 N -1.90 4.31 0.40 3.99 0.04 -1.26 -4.91 135.00 135.67 3knu s PRO 53 Ca 0.51 2.29 -0.27 0.00 0.04 0.00 0.00 61.00 63.57 3knu s PRO 53 Cb -0.37 -3.05 -0.10 0.00 0.04 0.00 0.00 34.50 31.02 3knu s PRO 53 CO 0.48 -0.26 1.47 0.71 0.04 0.00 0.00 177.00 179.43 3knu s TYR 54 N -1.11 2.54 0.00 0.56 2.02 -1.26 -3.35 117.35 116.75 3knu s TYR 54 Ca 0.50 1.20 0.00 0.00 -0.37 0.00 0.00 57.07 58.40 3knu s TYR 54 Cb -0.41 -3.99 0.00 0.00 -0.40 0.00 0.00 41.96 37.16 3knu s TYR 54 CO 0.55 -2.98 0.00 0.41 -1.57 0.00 0.00 175.55 171.96 3knu n GLY 55 N 0.50 0.74 0.00 0.71 0.00 -1.26 -4.90 105.19 100.98 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 -2.17 -0.69 0.00 -0.02 0.00 -1.21 -5.13 105.19 95.97 3knu n GLY 56 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.75 3.41 3.61 -0.02 0.00 -1.26 -4.79 105.19 105.38 3knu n GLY 57 Ca 0.00 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 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 -4.88 0.24 1.50 1.61 0.04 -1.26 -4.69 135.00 127.57 3knu s PRO 58 Ca 0.00 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.08 3knu s PRO 58 Cb 0.00 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.87 3knu s PRO 58 CO 0.00 -3.00 0.00 0.41 0.04 0.00 0.00 177.00 174.45 3knu n GLY 59 N 0.08 -1.57 3.40 0.56 0.00 -1.26 -4.84 105.19 101.56 3knu n GLY 59 Ca 0.07 -1.28 -0.20 0.00 0.00 0.00 0.00 46.02 44.60 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 1.53 -0.05 1.61 -1.94 -1.26 -4.38 119.30 114.81 3knu s MET 60 Ca 0.00 -1.81 -0.03 0.00 -1.71 0.00 0.00 55.69 52.13 3knu s MET 60 Cb 0.00 -0.81 0.02 0.00 2.01 0.00 0.00 34.83 36.05 3knu s MET 60 CO 0.00 -0.13 0.12 -1.17 -0.01 0.00 0.00 175.02 173.83 3knu s LEU 61 N -3.42 1.29 0.18 -0.03 2.96 -0.36 -0.68 118.68 118.63 3knu s LEU 61 Ca 0.33 0.24 -0.31 0.00 -0.22 0.00 0.00 54.13 54.17 3knu s LEU 61 Cb 0.07 0.36 -0.09 0.00 0.50 0.00 0.00 46.19 47.03 3knu s LEU 61 CO 0.13 -0.08 1.42 -0.76 -1.32 0.00 0.00 176.35 175.74 3knu s LEU 62 N 0.44 4.39 0.30 -0.68 1.43 -0.70 -1.43 118.68 122.43 3knu s LEU 62 Ca -0.03 2.49 -0.28 0.00 -1.03 0.00 0.00 54.13 55.28 3knu s LEU 62 Cb -0.05 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.48 3knu s LEU 62 CO -0.02 -0.67 1.04 -0.13 0.23 0.00 0.00 176.35 176.80 3knu s ARG 63 N 0.43 4.57 0.33 1.70 0.52 0.49 -2.38 118.95 124.61 3knu s ARG 63 Ca 0.62 1.63 0.02 0.00 -0.52 0.00 0.00 55.73 57.48 3knu s ARG 63 Cb -0.39 -3.03 0.56 0.00 0.52 0.00 0.00 34.95 32.61 3knu s ARG 63 CO 0.36 0.20 1.92 0.00 0.02 0.00 0.00 175.30 177.80 3knu h ALA 64 N 3.53 1.41 -0.15 2.13 0.00 -1.90 -1.98 119.26 122.29 3knu h ALA 64 Ca -0.47 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.20 3knu h ALA 64 Cb 1.21 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3knu h ALA 64 CO 0.66 0.46 -0.36 0.38 0.00 0.00 0.00 179.25 180.39 3knu h ASP 65 N 0.75 0.58 -0.07 0.00 2.03 -1.97 0.21 116.42 117.96 3knu h ASP 65 Ca 0.18 -0.57 -0.00 0.00 -0.73 0.00 0.00 57.03 55.91 3knu h ASP 65 Cb 0.12 -0.17 -0.00 0.00 -0.83 0.00 0.00 39.33 38.45 3knu h ASP 65 CO -0.02 1.04 0.04 0.58 -1.03 0.00 0.00 179.24 179.85 3knu h VAL 66 N 0.14 1.08 -0.91 4.15 2.07 -1.82 -1.82 116.25 119.13 3knu h VAL 66 Ca -0.00 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 3knu h VAL 66 Cb 0.96 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 3knu h VAL 66 CO 0.08 0.07 0.56 -0.07 0.02 0.00 0.00 177.57 178.22 3knu h LEU 67 N 0.01 1.09 -0.49 2.57 3.38 -1.32 -2.18 115.31 118.38 3knu h LEU 67 Ca 0.02 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3knu h LEU 67 Cb 0.08 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 3knu h LEU 67 CO -0.00 0.83 0.20 1.23 0.09 0.00 0.00 178.44 180.79 3knu h GLY 68 N 1.26 0.67 0.95 0.83 0.00 -0.39 0.11 103.07 106.51 3knu h GLY 68 Ca 0.33 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.50 3knu h GLY 68 CO -0.06 0.04 0.14 3.21 0.00 0.00 0.00 176.54 179.87 3knu h ARG 69 N 0.40 0.69 0.25 4.80 3.08 -1.00 0.20 114.38 122.80 3knu h ARG 69 Ca 0.23 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3knu h ARG 69 Cb 0.21 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3knu h ARG 69 CO -0.21 0.67 -0.12 0.00 -1.07 0.00 0.00 179.97 179.24 3knu h ILE 71 N -0.38 1.26 -0.73 0.00 2.04 -0.63 -2.20 117.51 116.86 3knu h ILE 71 Ca -0.03 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 3knu h ILE 71 Cb 0.29 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 3knu h ILE 71 CO 0.06 0.37 0.29 0.44 0.00 0.00 0.00 178.15 179.31 3knu h ASP 72 N 1.08 1.01 -0.42 1.72 3.32 -0.98 0.85 116.42 122.99 3knu h ASP 72 Ca 0.22 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 3knu h ASP 72 Cb 0.37 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3knu h ASP 72 CO 0.00 0.90 0.15 -0.08 -1.72 0.00 0.00 179.24 178.49 3knu h GLU 73 N 1.07 0.65 -0.62 3.56 4.57 -1.00 -0.68 114.58 122.12 3knu h GLU 73 Ca 0.25 -0.13 0.06 0.00 -1.18 0.00 0.00 59.36 58.36 3knu h GLU 73 Cb 0.21 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.65 3knu h GLU 73 CO -0.02 0.62 0.32 0.28 -1.18 0.00 0.00 179.01 179.03 3knu h VAL 74 N 0.54 0.93 -0.25 0.32 2.07 -0.96 -2.68 116.25 116.22 3knu h VAL 74 Ca 0.14 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 3knu h VAL 74 Cb 0.23 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3knu h VAL 74 CO -0.01 0.11 -0.25 -0.07 0.02 0.00 0.00 177.57 177.37 3knu h LEU 75 N 0.60 0.47 -1.64 2.57 3.38 -0.58 0.40 115.31 120.50 3knu h LEU 75 Ca 0.28 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3knu h LEU 75 Cb 0.21 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3knu h LEU 75 CO -0.20 0.72 -0.20 0.77 0.09 0.00 0.00 178.44 179.63 3knu h SER 76 N 0.41 0.00 0.38 -0.43 4.64 -0.80 -2.05 113.55 115.71 3knu h SER 76 Ca 0.06 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.07 3knu h SER 76 Cb 0.66 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.72 3knu h SER 76 CO 0.05 0.20 -1.77 -0.07 -0.87 0.00 0.00 176.83 174.37 3knu h LEU 77 N 0.00 0.16 -6.35 5.97 3.38 -1.13 -3.41 115.31 113.93 3knu h LEU 77 Ca -0.00 -0.35 -0.59 0.00 0.09 0.00 0.00 57.88 57.03 3knu h LEU 77 Cb 0.37 -0.05 -0.39 0.00 0.09 0.00 0.00 40.66 40.67 3knu h LEU 77 CO 0.03 1.31 -0.92 1.41 0.09 0.00 0.00 178.44 180.36 3knu n HIS 78 N -3.22 0.31 0.32 1.13 8.25 0.13 -5.01 115.22 117.13 3knu n HIS 78 Ca -0.21 -3.61 0.20 0.00 -0.26 0.00 0.00 57.72 53.84 3knu n HIS 78 Cb 1.05 -0.13 1.07 0.00 1.12 0.00 0.00 29.99 33.10 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 4.98 0.00 -0.43 -0.41 0.11 -1.61 -2.08 132.00 132.55 3knu h PRO 79 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3knu h PRO 79 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3knu h PRO 79 CO 0.50 0.01 0.00 0.09 -0.21 0.00 0.00 178.00 178.39 3knu n ASN 80 N -3.25 3.87 -4.74 -2.05 3.02 -1.26 -5.00 115.26 105.85 3knu n ASN 80 Ca -0.02 -2.47 -0.39 0.00 -0.03 0.00 0.00 54.58 51.67 3knu n ASN 80 Cb 0.11 -0.45 0.04 0.00 -0.61 0.00 0.00 39.78 38.87 3knu n ASN 80 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 3knu n THR 81 N 0.42 3.60 -3.17 3.41 5.66 -0.78 -4.86 114.28 118.55 3knu n THR 81 Ca 0.20 -0.50 -0.42 0.00 -3.05 0.00 0.00 64.05 60.28 3knu n THR 81 Cb 0.73 -1.67 -0.07 0.00 -1.55 0.00 0.00 70.33 67.77 3knu n THR 81 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 3knu s LYS 82 N -2.77 3.56 -0.29 1.09 2.47 0.23 -4.92 119.74 119.11 3knu s LYS 82 Ca 0.70 -0.15 -0.23 0.00 -1.56 0.00 0.00 55.97 54.73 3knu s LYS 82 Cb -0.43 -3.84 -0.00 0.00 -1.46 0.00 0.00 37.83 32.10 3knu s LYS 82 CO 0.51 -0.75 0.78 -0.51 0.16 0.00 0.00 175.35 175.53 3knu s LEU 83 N 2.57 4.08 0.22 5.43 1.43 -1.26 -0.49 118.68 130.66 3knu s LEU 83 Ca 0.21 0.75 0.10 0.00 -1.03 0.00 0.00 54.13 54.16 3knu s LEU 83 Cb -0.15 -3.07 -0.05 0.00 0.03 0.00 0.00 46.19 42.95 3knu s LEU 83 CO 0.15 -0.56 -0.19 -0.04 0.23 0.00 0.00 176.35 175.94 3knu s MET 84 N 2.87 1.45 -0.03 1.70 -1.94 0.84 -1.64 119.30 122.56 3knu s MET 84 Ca 0.32 -1.59 -0.01 0.00 -1.71 0.00 0.00 55.69 52.71 3knu s MET 84 Cb -0.15 -1.48 0.03 0.00 2.01 0.00 0.00 34.83 35.24 3knu s MET 84 CO 0.11 0.28 0.04 0.12 -0.01 0.00 0.00 175.02 175.56 3knu s PHE 85 N -2.39 0.10 -0.34 -0.03 5.36 -0.03 -0.70 117.98 119.96 3knu s PHE 85 Ca 0.23 0.16 -0.27 0.00 -0.96 0.00 0.00 56.93 56.08 3knu s PHE 85 Cb -0.04 -0.38 0.01 0.00 -0.34 0.00 0.00 43.02 42.27 3knu s PHE 85 CO 0.10 -0.14 0.98 0.95 -1.46 0.00 0.00 175.22 175.64 3knu s THR 86 N 1.55 4.57 0.03 0.12 -4.23 -1.02 -1.30 115.64 115.35 3knu s THR 86 Ca -0.03 1.46 -0.06 0.00 -1.18 0.00 0.00 61.69 61.88 3knu s THR 86 Cb -0.13 -4.35 -0.01 0.00 1.34 0.00 0.00 72.50 69.36 3knu s THR 86 CO -0.03 -0.47 0.12 -0.94 -0.54 0.00 0.00 174.62 172.75 3knu s SER 87 N 1.74 0.12 0.00 3.99 1.04 -0.69 -4.25 113.70 115.65 3knu s SER 87 Ca 0.41 -0.43 0.26 0.00 0.48 0.00 0.00 55.95 56.67 3knu s SER 87 Cb -0.12 0.23 1.54 0.00 0.10 0.00 0.00 66.02 67.76 3knu s SER 87 CO 0.16 -0.47 1.92 -0.81 0.98 0.00 0.00 173.24 175.02 3knu n PRO 88 N 0.95 0.87 -0.42 4.02 -0.04 -1.26 -2.76 135.00 136.35 3knu n PRO 88 Ca -0.20 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.34 3knu n PRO 88 Cb 0.58 -1.47 0.25 0.00 -0.04 0.00 0.00 33.50 32.82 3knu n PRO 88 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3knu n ARG 89 N -0.97 2.97 -2.64 0.54 3.00 -1.26 -4.91 116.66 113.38 3knu n ARG 89 Ca 0.19 -2.75 -0.22 0.00 -0.01 0.00 0.00 57.85 55.07 3knu n ARG 89 Cb 0.09 -1.78 0.11 0.00 0.00 0.00 0.00 32.46 30.88 3knu n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3knu n GLY 90 N -0.34 0.94 3.56 -0.13 0.00 -1.11 -4.98 105.19 103.12 3knu n GLY 90 Ca 0.20 -2.07 -0.50 0.00 0.00 0.00 0.00 46.02 43.64 3knu n GLY 90 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knu n VAL 91 N -2.72 0.76 -2.38 1.61 0.31 -0.81 -4.15 118.33 110.96 3knu n VAL 91 Ca 0.16 -0.19 -0.43 0.00 -0.01 0.00 0.00 64.34 63.88 3knu n VAL 91 Cb 0.59 -0.67 -0.02 0.00 -0.91 0.00 0.00 33.84 32.83 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 -0.02 6.95 0.24 4.52 0.01 -1.26 0.08 113.70 124.21 3knu s SER 92 Ca 0.76 1.83 -0.30 0.00 1.31 0.00 0.00 55.95 59.55 3knu s SER 92 Cb -0.92 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 62.67 3knu s SER 92 CO 0.52 -0.71 1.21 0.12 0.41 0.00 0.00 173.24 174.80 3knu s PHE 93 N 2.95 3.37 0.22 2.43 5.36 0.13 -4.90 117.98 127.54 3knu s PHE 93 Ca 0.58 1.46 -0.11 0.00 -0.96 0.00 0.00 56.93 57.89 3knu s PHE 93 Cb -0.25 -3.47 -0.01 0.00 -0.34 0.00 0.00 43.02 38.96 3knu s PHE 93 CO 0.20 -1.27 0.39 0.95 -1.46 0.00 0.00 175.22 174.03 3knu s THR 94 N -0.49 0.02 0.31 0.12 -4.23 -1.26 -4.88 115.64 105.23 3knu s THR 94 Ca 0.51 -1.42 0.02 0.00 -1.18 0.00 0.00 61.69 59.62 3knu s THR 94 Cb -0.34 -2.10 0.29 0.00 1.34 0.00 0.00 72.50 71.69 3knu s THR 94 CO 0.41 -0.09 1.90 -0.61 -0.54 0.00 0.00 174.62 175.69 3knu h GLN 95 N 2.37 0.92 -0.44 3.99 5.75 -1.98 0.64 115.11 126.37 3knu h GLN 95 Ca -0.29 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.07 3knu h GLN 95 Cb 1.25 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.57 3knu h GLN 95 CO 0.41 0.61 -0.05 0.22 -2.65 0.00 0.00 178.83 177.37 3knu h ASP 96 N 0.95 0.80 -0.87 -0.69 3.58 -1.99 0.11 116.42 118.32 3knu h ASP 96 Ca 0.41 -0.34 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 3knu h ASP 96 Cb 0.32 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 3knu h ASP 96 CO -0.17 0.95 0.45 0.40 -2.88 0.00 0.00 179.24 177.99 3knu h ILE 97 N 0.64 1.26 -0.50 2.25 1.08 -1.73 -0.59 117.51 119.91 3knu h ILE 97 Ca 0.12 -0.67 0.04 0.00 -0.39 0.00 0.00 64.86 63.96 3knu h ILE 97 Cb 0.57 0.11 -0.04 0.00 -3.07 0.00 0.00 36.82 34.39 3knu h ILE 97 CO 0.03 0.30 0.25 0.00 -0.69 0.00 0.00 178.15 178.04 3knu h ALA 98 N 1.24 0.64 -0.73 1.87 0.00 -0.41 0.71 119.26 122.58 3knu h ALA 98 Ca 0.30 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 3knu h ALA 98 Cb 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3knu h ALA 98 CO -0.04 -0.09 0.33 0.00 0.00 0.00 0.00 179.25 179.44 3knu h ARG 99 N 0.50 1.07 -0.85 0.00 3.08 -0.13 -1.87 114.38 116.17 3knu h ARG 99 Ca 0.22 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3knu h ARG 99 Cb 0.13 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 3knu h ARG 99 CO -0.15 0.85 0.52 1.96 -1.07 0.00 0.00 179.97 182.07 3knu h GLN 100 N 1.03 1.14 0.00 0.04 4.20 -0.68 -1.87 115.11 118.98 3knu h GLN 100 Ca 0.25 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 3knu h GLN 100 Cb 0.15 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 3knu h GLN 100 CO -0.03 0.80 -0.00 1.15 -0.67 0.00 0.00 178.83 180.08 3knu h THR 101 N 1.16 0.77 0.00 -0.54 2.02 -0.33 -1.66 112.91 114.33 3knu h THR 101 Ca 0.30 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.48 3knu h THR 101 Cb -0.06 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3knu h THR 101 CO -0.06 0.00 0.00 0.24 0.37 0.00 0.00 175.52 176.07 3knu h MET 102 N 0.00 0.00 0.00 6.66 2.86 -0.54 -2.59 114.93 121.32 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 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3knu h MET 102 CO 0.00 0.00 0.00 -0.91 1.06 0.00 0.00 176.91 177.06 3knu h ASN 103 N 0.00 0.00 -3.22 1.22 -0.26 -1.36 -3.41 115.58 108.55 3knu h ASN 103 Ca 0.00 0.00 -0.68 0.00 -0.56 0.00 0.00 56.30 55.06 3knu h ASN 103 Cb 0.34 0.00 -0.14 0.00 -1.06 0.00 0.00 38.32 37.46 3knu h ASN 103 CO 0.00 0.00 -0.60 -0.36 -1.06 0.00 0.00 177.43 175.41 3knu s PHE 104 N -3.48 3.22 -2.36 1.19 0.08 -0.98 -4.99 117.98 110.66 3knu s PHE 104 Ca 0.00 0.24 0.26 0.00 0.12 0.00 0.00 56.93 57.55 3knu s PHE 104 Cb 0.08 -1.81 0.61 0.00 -0.57 0.00 0.00 43.02 41.33 3knu s PHE 104 CO 0.30 0.50 1.49 -0.40 -0.10 0.00 0.00 175.22 177.01 3knu n ASP 105 N 2.14 1.82 -3.55 1.36 3.85 -1.26 -4.81 116.55 116.10 3knu n ASP 105 Ca -0.19 -1.47 -0.23 0.00 -0.71 0.00 0.00 54.79 52.19 3knu n ASP 105 Cb 0.54 0.11 -0.15 0.00 -1.35 0.00 0.00 41.12 40.27 3knu n ASP 105 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 3knu s ASN 106 N -2.20 1.94 -0.07 -1.12 3.84 -1.26 -0.27 114.94 115.81 3knu s ASN 106 Ca 0.29 -0.46 0.05 0.00 0.21 0.00 0.00 52.86 52.94 3knu s ASN 106 Cb 0.20 0.04 -0.00 0.00 -0.55 0.00 0.00 41.25 40.94 3knu s ASN 106 CO 0.41 -0.34 -0.22 -0.63 -2.79 0.00 0.00 177.10 173.53 3knu s ILE 107 N 2.22 1.81 -0.16 -5.21 -1.09 -0.18 -0.60 121.20 118.00 3knu s ILE 107 Ca 0.05 -0.91 -0.01 0.00 -2.23 0.00 0.00 60.65 57.54 3knu s ILE 107 Cb -0.16 -1.56 -0.01 0.00 -1.58 0.00 0.00 42.46 39.15 3knu s ILE 107 CO -0.12 0.51 -0.11 -0.89 -1.23 0.00 0.00 174.94 173.10 3knu s THR 108 N 0.12 3.08 -0.37 2.92 2.01 0.35 -0.34 115.64 123.41 3knu s THR 108 Ca -0.09 -0.63 -0.03 0.00 0.31 0.00 0.00 61.69 61.24 3knu s THR 108 Cb -0.15 -2.33 0.08 0.00 0.01 0.00 0.00 72.50 70.12 3knu s THR 108 CO 0.05 0.50 0.14 -0.76 -0.69 0.00 0.00 174.62 173.85 3knu s LEU 109 N 0.75 4.74 -0.09 4.42 1.43 0.17 -0.11 118.68 129.99 3knu s LEU 109 Ca -0.05 -1.67 -0.30 0.00 -1.03 0.00 0.00 54.13 51.09 3knu s LEU 109 Cb -0.15 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 3knu s LEU 109 CO 0.01 -0.43 1.10 -0.22 0.23 0.00 0.00 176.35 177.04 3knu s LEU 110 N 1.22 4.25 -0.37 1.79 2.96 0.12 -1.14 118.68 127.51 3knu s LEU 110 Ca 0.03 1.64 -0.13 0.00 -0.22 0.00 0.00 54.13 55.45 3knu s LEU 110 Cb -0.21 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.92 3knu s LEU 110 CO -0.02 -0.53 0.25 0.00 -1.32 0.00 0.00 176.35 174.74 3knu s GLY 112 N 1.68 2.62 0.20 0.00 0.00 -1.26 -4.71 107.32 105.85 3knu s GLY 112 Ca 0.05 0.84 -0.08 0.00 0.00 0.00 0.00 44.72 45.53 3knu s GLY 112 CO 0.10 1.20 0.29 0.50 0.00 0.00 0.00 173.10 175.19 3knu s ARG 113 N -3.34 1.28 6.05 2.90 1.81 -1.26 -0.43 118.95 125.96 3knu s ARG 113 Ca 0.73 -1.34 0.00 0.00 -1.72 0.00 0.00 55.73 53.41 3knu s ARG 113 Cb -0.25 0.37 0.00 0.00 -0.45 0.00 0.00 34.95 34.63 3knu s ARG 113 CO 0.29 -0.48 0.00 1.19 -0.68 0.00 0.00 175.30 175.62 3knu n PHE 114 N -0.28 0.00 1.56 -0.53 3.72 -1.26 -2.47 117.46 118.20 3knu n PHE 114 Ca -0.03 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.51 3knu n PHE 114 Cb 0.63 0.00 0.60 0.00 -0.94 0.00 0.00 39.48 39.78 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 1.36 0.00 -1.08 -0.58 0.15 -4.98 120.64 129.51 3knu n GLU 115 Ca 0.00 -0.66 0.00 0.00 -0.42 0.00 0.00 57.16 56.08 3knu n GLU 115 Cb 0.00 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 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 1.17 0.32 3.19 0.62 0.00 -1.03 -5.00 105.19 104.46 3knu n GLY 116 Ca 0.19 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.35 0.96 0.11 -0.61 -4.36 -1.26 -1.72 121.20 112.98 3knu s ILE 117 Ca 0.00 -1.78 -0.33 0.00 -0.26 0.00 0.00 60.65 58.29 3knu s ILE 117 Cb 0.00 -1.52 -0.12 0.00 1.25 0.00 0.00 42.46 42.07 3knu s ILE 117 CO 0.00 -0.65 1.76 -0.67 0.24 0.00 0.00 174.94 175.62 3knu n ASP 118 N 0.30 3.69 0.29 4.36 2.03 -1.00 -4.87 116.55 121.35 3knu n ASP 118 Ca -0.14 1.02 0.14 0.00 0.52 0.00 0.00 54.79 56.33 3knu n ASP 118 Cb 0.59 -1.49 0.86 0.00 -0.72 0.00 0.00 41.12 40.36 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 7.68 0.00 -0.27 -0.67 4.57 -1.99 -1.39 114.58 122.50 3knu h GLU 119 Ca -0.46 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 57.74 3knu h GLU 119 Cb 1.24 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.81 3knu h GLU 119 CO 0.93 0.00 0.18 0.00 -1.18 0.00 0.00 179.01 178.95 3knu h ARG 120 N 0.00 0.28 -0.35 1.92 3.08 -1.99 -2.10 114.38 115.22 3knu h ARG 120 Ca -0.00 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 3knu h ARG 120 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3knu h ARG 120 CO 0.00 0.19 0.09 0.28 -1.07 0.00 0.00 179.97 179.46 3knu h VAL 121 N 0.29 1.22 -0.37 2.04 2.07 -1.62 0.38 116.25 120.25 3knu h VAL 121 Ca 0.11 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.91 3knu h VAL 121 Cb 0.08 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3knu h VAL 121 CO -0.02 0.25 0.24 0.58 0.02 0.00 0.00 177.57 178.63 3knu h VAL 122 N 0.41 1.08 -0.09 2.57 2.07 -1.54 -2.59 116.25 118.16 3knu h VAL 122 Ca 0.11 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 3knu h VAL 122 Cb 0.28 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3knu h VAL 122 CO -0.00 0.09 -0.26 0.44 0.02 0.00 0.00 177.57 177.86 3knu h ASP 123 N 0.49 0.38 -0.73 0.57 3.32 -1.24 -1.88 116.42 117.33 3knu h ASP 123 Ca 0.14 -0.60 -0.04 0.00 0.02 0.00 0.00 57.03 56.55 3knu h ASP 123 Cb -0.04 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 3knu h ASP 123 CO -0.04 0.91 0.31 0.15 -1.72 0.00 0.00 179.24 178.85 3knu h PHE 124 N -0.12 1.11 -0.03 4.55 3.57 -0.23 -3.06 116.94 122.72 3knu h PHE 124 Ca -0.01 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.42 3knu h PHE 124 Cb 0.87 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.27 3knu h PHE 124 CO 0.12 0.83 -0.01 0.66 -2.23 0.00 0.00 178.31 177.68 3knu n TYR 125 N -4.29 0.00 -3.74 0.41 4.01 -0.98 -4.97 117.16 107.59 3knu n TYR 125 Ca 0.07 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.56 3knu n TYR 125 Cb 0.17 -0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.25 3knu n TYR 125 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3knu n LYS 126 N 1.26 -6.01 -1.74 -0.72 4.76 -0.76 -4.87 118.16 110.09 3knu n LYS 126 Ca 0.14 0.68 -0.42 0.00 -2.87 0.00 0.00 58.31 55.84 3knu n LYS 126 Cb 0.58 -5.53 -0.02 0.00 -1.84 0.00 0.00 35.03 28.23 3knu n LYS 126 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3knu n LEU 127 N -4.59 4.21 -4.62 -0.35 4.77 -0.90 -4.93 117.00 110.59 3knu n LEU 127 Ca -0.09 1.13 -0.42 0.00 -0.03 0.00 0.00 56.01 56.59 3knu n LEU 127 Cb 0.59 -1.58 -0.04 0.00 -2.33 0.00 0.00 43.42 40.06 3knu n LEU 127 CO 0.70 0.12 0.74 -1.58 -1.33 0.00 0.00 177.39 176.04 3knu s GLN 128 N -0.17 3.97 0.14 3.23 0.74 -0.65 -4.89 119.66 122.02 3knu s GLN 128 Ca 0.66 0.74 -0.30 0.00 0.05 0.00 0.00 55.36 56.52 3knu s GLN 128 Cb -0.51 -3.75 -0.07 0.00 1.10 0.00 0.00 33.01 29.79 3knu s GLN 128 CO 0.45 -0.80 0.94 -1.21 -0.55 0.00 0.00 175.29 174.12 3knu s GLU 129 N 3.28 4.72 -0.01 1.67 2.02 -1.26 -0.85 118.70 128.27 3knu s GLU 129 Ca 0.38 1.43 0.02 0.00 0.02 0.00 0.00 54.97 56.82 3knu s GLU 129 Cb -0.13 -3.35 -0.00 0.00 0.10 0.00 0.00 34.13 30.75 3knu s GLU 129 CO 0.15 0.30 -0.08 0.54 0.02 0.00 0.00 175.26 176.18 3knu s VAL 130 N -0.30 0.65 -0.07 2.63 0.11 -0.42 -1.92 120.40 121.08 3knu s VAL 130 Ca 0.45 -0.33 0.05 0.00 -2.93 0.00 0.00 61.98 59.22 3knu s VAL 130 Cb -0.24 -0.56 -0.01 0.00 -1.53 0.00 0.00 36.38 34.05 3knu s VAL 130 CO 0.30 0.19 -0.23 -0.55 -3.33 0.00 0.00 175.10 171.48 3knu s SER 131 N -0.04 2.90 0.00 3.54 0.15 0.11 -1.70 113.70 118.66 3knu s SER 131 Ca 0.01 -0.49 0.28 0.00 0.70 0.00 0.00 55.95 56.45 3knu s SER 131 Cb -0.05 -0.95 1.09 0.00 -1.71 0.00 0.00 66.02 64.40 3knu s SER 131 CO -0.00 0.20 1.77 2.30 1.20 0.00 0.00 173.24 178.71 3knu n ILE 132 N 3.15 0.00 0.00 6.45 -5.35 -1.26 0.20 119.36 122.55 3knu n ILE 132 Ca -0.18 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 3knu n ILE 132 Cb 0.52 0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 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 1.28 1.01 2.95 3.28 0.00 -1.26 -4.75 105.19 107.70 3knu n GLY 133 Ca 0.14 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 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 5.29 -3.51 1.61 2.03 -1.26 -4.89 116.55 115.82 3knu n ASP 134 Ca 0.00 -3.14 -0.16 0.00 0.52 0.00 0.00 54.79 52.01 3knu n ASP 134 Cb 0.00 -1.46 -0.05 0.00 -0.72 0.00 0.00 41.12 38.89 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 0.02 -0.61 -0.27 -0.67 -0.85 -1.26 -5.15 117.35 108.56 3knu s TYR 135 Ca 0.39 0.95 -0.11 0.00 -0.52 0.00 0.00 57.07 57.77 3knu s TYR 135 Cb 0.08 0.44 -0.05 0.00 0.38 0.00 0.00 41.96 42.80 3knu s TYR 135 CO 0.02 -0.62 0.18 0.08 -1.52 0.00 0.00 175.55 173.69 3knu s VAL 136 N -1.60 5.29 0.38 -3.49 1.01 -1.26 -4.90 120.40 115.83 3knu s VAL 136 Ca -0.08 0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.13 3knu s VAL 136 Cb -0.00 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3knu s VAL 136 CO 0.05 0.27 0.53 -0.76 0.00 0.00 0.00 175.10 175.19 3knu s LEU 137 N 1.65 3.81 0.46 3.92 1.43 -1.26 -5.02 118.68 123.66 3knu s LEU 137 Ca 0.07 -0.25 0.26 0.00 -1.03 0.00 0.00 54.13 53.18 3knu s LEU 137 Cb -0.16 -2.74 0.99 0.00 0.03 0.00 0.00 46.19 44.31 3knu s LEU 137 CO 0.10 -0.60 1.85 0.28 0.23 0.00 0.00 176.35 178.21 3knu h SER 138 N 0.74 0.00 -5.48 2.29 0.02 -1.98 -3.47 113.55 105.67 3knu h SER 138 Ca -0.43 0.00 0.20 0.00 -0.84 0.00 0.00 61.79 60.72 3knu h SER 138 Cb 1.27 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.75 3knu h SER 138 CO 0.50 0.18 0.63 -0.83 -1.14 0.00 0.00 176.83 176.17 3knu s GLY 139 N -4.26 -0.02 0.00 -3.77 0.00 -1.26 -4.54 107.32 93.47 3knu s GLY 139 Ca 0.01 -0.13 0.28 0.00 0.00 0.00 0.00 44.72 44.88 3knu s GLY 139 CO 0.62 2.23 1.96 0.61 0.00 0.00 0.00 173.10 178.52 3knu n GLY 140 N -0.67 -1.28 0.25 0.20 0.00 0.43 -4.28 105.19 99.84 3knu n GLY 140 Ca -0.03 -0.12 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 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 0.82 -0.20 1.61 3.07 -1.91 0.83 114.58 118.79 3knu h GLU 141 Ca 0.00 -0.10 -0.13 0.00 -0.50 0.00 0.00 59.36 58.63 3knu h GLU 141 Cb 0.32 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 3knu h GLU 141 CO 0.00 0.62 -0.44 -0.07 -1.40 0.00 0.00 179.01 177.73 3knu h LEU 142 N 0.79 0.54 -0.51 1.33 3.38 -2.00 -0.64 115.31 118.19 3knu h LEU 142 Ca 0.21 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3knu h LEU 142 Cb 0.05 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3knu h LEU 142 CO -0.03 0.90 0.15 0.00 0.09 0.00 0.00 178.44 179.55 3knu h ALA 143 N 1.12 0.67 -0.45 1.53 0.00 -1.68 -0.83 119.26 119.62 3knu h ALA 143 Ca 0.03 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3knu h ALA 143 Cb 0.93 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3knu h ALA 143 CO 0.08 0.34 0.30 0.00 0.00 0.00 0.00 179.25 179.96 3knu h ALA 144 N 1.01 0.57 -0.60 0.00 0.00 -0.37 -1.62 119.26 118.26 3knu h ALA 144 Ca 0.16 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3knu h ALA 144 Cb 0.29 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3knu h ALA 144 CO -0.00 0.02 0.36 0.52 0.00 0.00 0.00 179.25 180.15 3knu h MET 145 N 0.61 0.69 -0.29 0.00 2.07 -0.96 -0.76 114.93 116.28 3knu h MET 145 Ca 0.17 -0.04 0.04 0.00 -2.07 0.00 0.00 59.70 57.79 3knu h MET 145 Cb -0.06 -0.16 -0.04 0.00 -1.87 0.00 0.00 31.60 29.47 3knu h MET 145 CO -0.04 0.46 0.06 0.28 1.07 0.00 0.00 176.91 178.74 3knu h VAL 146 N 0.71 0.87 -0.27 -2.22 2.07 -0.88 -0.05 116.25 116.48 3knu h VAL 146 Ca 0.24 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.70 3knu h VAL 146 Cb 0.03 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3knu h VAL 146 CO -0.11 0.03 0.16 0.40 0.02 0.00 0.00 177.57 178.07 3knu h ILE 147 N 0.17 1.11 -0.32 4.57 2.04 -0.89 -1.06 117.51 123.13 3knu h ILE 147 Ca 0.13 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 3knu h ILE 147 Cb 0.14 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3knu h ILE 147 CO -0.17 0.11 -0.08 0.40 0.00 0.00 0.00 178.15 178.40 3knu h ILE 148 N 0.33 1.28 -0.22 -0.67 2.04 -0.93 -1.19 117.51 118.17 3knu h ILE 148 Ca 0.10 -1.13 0.04 0.00 1.00 0.00 0.00 64.86 64.86 3knu h ILE 148 Cb 0.03 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 3knu h ILE 148 CO -0.02 0.37 -0.02 -0.78 0.00 0.00 0.00 178.15 177.70 3knu h ASP 149 N 0.39 -0.12 -0.20 1.72 3.58 -0.90 0.47 116.42 121.36 3knu h ASP 149 Ca 0.08 0.05 0.04 0.00 0.42 0.00 0.00 57.03 57.62 3knu h ASP 149 Cb 0.58 0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.69 3knu h ASP 149 CO 0.03 -0.03 -0.06 0.74 -2.88 0.00 0.00 179.24 177.04 3knu h THR 150 N 0.04 0.78 -0.25 2.25 2.02 -0.96 -2.40 112.91 114.39 3knu h THR 150 Ca 0.10 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.19 3knu h THR 150 Cb 0.14 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3knu h THR 150 CO -0.19 0.00 -0.19 0.00 0.37 0.00 0.00 175.52 175.51 3knu h VAL 152 N 0.28 1.22 -0.06 0.00 2.07 -0.80 -0.57 116.25 118.40 3knu h VAL 152 Ca 0.05 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.74 3knu h VAL 152 Cb 0.72 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3knu h VAL 152 CO 0.05 0.30 0.18 0.03 0.02 0.00 0.00 177.57 178.15 3knu h ARG 153 N 0.71 0.00 -0.04 1.57 3.08 -1.51 -0.25 114.38 117.94 3knu h ARG 153 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3knu h ARG 153 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3knu h ARG 153 CO 0.01 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.58 3knu n MET 154 N -3.24 2.09 -2.33 0.04 2.81 -0.22 -4.39 117.12 111.88 3knu n MET 154 Ca -0.01 -1.59 -0.42 0.00 -1.81 0.00 0.00 57.70 53.86 3knu n MET 154 Cb 0.26 -1.47 -0.03 0.00 -0.71 0.00 0.00 33.22 31.27 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 -1.98 3.94 0.11 2.03 1.01 -0.11 -4.97 120.40 120.43 3knu s VAL 155 Ca 0.32 1.32 -0.36 0.00 0.00 0.00 0.00 61.98 63.26 3knu s VAL 155 Cb 0.20 -3.85 -0.16 0.00 0.00 0.00 0.00 36.38 32.58 3knu s VAL 155 CO 0.31 0.01 1.40 -2.65 0.00 0.00 0.00 175.10 174.17 3knu n PRO 156 N 5.07 1.39 0.00 2.72 -0.02 -1.26 -1.59 135.00 141.31 3knu n PRO 156 Ca 0.12 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3knu n PRO 156 Cb 0.45 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3knu n PRO 156 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knu n GLY 157 N 2.73 2.76 0.11 -1.23 0.00 -0.37 -4.94 105.19 104.24 3knu n GLY 157 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 0.87 0.00 1.61 2.07 -1.59 -3.42 116.25 115.79 3knu h VAL 158 Ca 0.00 -1.35 -0.19 0.00 0.82 0.00 0.00 66.70 65.98 3knu h VAL 158 Cb 0.00 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 3knu h VAL 158 CO 0.00 0.26 -1.70 -0.38 0.02 0.00 0.00 177.57 175.76 3knu n ILE 159 N -4.84 0.70 -3.90 4.57 2.08 -1.26 -4.83 119.36 111.89 3knu n ILE 159 Ca -0.07 -0.24 -0.09 0.00 0.56 0.00 0.00 62.75 62.92 3knu n ILE 159 Cb 0.26 -1.18 -0.04 0.00 -0.75 0.00 0.00 39.64 37.92 3knu n ILE 159 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 3knu s GLY 160 N -5.20 0.20 0.42 7.39 0.00 -1.26 -5.19 107.32 103.68 3knu s GLY 160 Ca -0.17 -0.55 0.17 0.00 0.00 0.00 0.00 44.72 44.16 3knu s GLY 160 CO 0.26 -0.38 1.91 3.45 0.00 0.00 0.00 173.10 178.34 3knu h ASN 161 N 2.17 0.00 0.00 1.64 7.08 -1.93 -0.98 115.58 123.55 3knu h ASN 161 Ca -0.25 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.97 3knu h ASN 161 Cb 1.25 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.49 3knu h ASN 161 CO 0.32 0.28 0.00 0.00 -2.08 0.00 0.00 177.43 175.95 3knu n LEU 174 N -3.99 0.00 0.00 6.14 -0.00 -1.26 -4.80 117.00 113.08 3knu n LEU 174 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 3knu n LEU 174 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.76 3knu n LEU 174 CO 0.36 0.00 0.35 -0.62 -0.00 0.00 0.00 177.39 177.48 3knu n GLU 175 N 0.28 0.80 -1.28 1.47 1.02 -1.26 -5.11 120.64 116.57 3knu n GLU 175 Ca 0.00 -0.90 -0.34 0.00 -0.02 0.00 0.00 57.16 55.90 3knu n GLU 175 Cb 0.00 -0.96 0.11 0.00 -0.02 0.00 0.00 31.44 30.57 3knu n GLU 175 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 3knu s TYR 176 N -0.43 1.92 0.58 -0.32 1.13 -1.26 -4.89 117.35 114.07 3knu s TYR 176 Ca 0.00 1.63 -0.20 0.00 -1.41 0.00 0.00 57.07 57.09 3knu s TYR 176 Cb 0.00 -3.49 -0.04 0.00 -1.10 0.00 0.00 41.96 37.33 3knu s TYR 176 CO 0.00 -2.76 1.23 -1.25 -2.51 0.00 0.00 175.55 170.26 3knu s PRO 177 N -4.01 3.05 0.16 -3.49 0.04 -1.26 -5.05 135.00 124.44 3knu s PRO 177 Ca 0.74 1.90 0.09 0.00 0.04 0.00 0.00 61.00 63.77 3knu s PRO 177 Cb -0.29 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 3knu s PRO 177 CO 0.48 -1.16 -0.19 -0.65 0.04 0.00 0.00 177.00 175.51 3knu s GLN 178 N -3.20 1.29 0.01 4.56 -0.21 -1.26 -5.08 119.66 115.77 3knu s GLN 178 Ca 0.76 -1.40 -0.08 0.00 0.02 0.00 0.00 55.36 54.65 3knu s GLN 178 Cb -0.32 -1.39 0.00 0.00 1.00 0.00 0.00 33.01 32.30 3knu s GLN 178 CO 0.36 0.29 0.17 0.71 -2.12 0.00 0.00 175.29 174.69 3knu s TYR 179 N -1.95 0.03 0.34 0.91 1.51 -1.26 -5.17 117.35 111.77 3knu s TYR 179 Ca 0.16 -0.15 -0.01 0.00 -1.01 0.00 0.00 57.07 56.06 3knu s TYR 179 Cb -0.06 -0.04 -0.00 0.00 -0.11 0.00 0.00 41.96 41.75 3knu s TYR 179 CO 0.07 -0.33 0.45 -0.08 -1.11 0.00 0.00 175.55 174.54 3knu s THR 180 N -1.71 0.00 0.75 -0.71 -1.32 -1.26 -5.15 115.64 106.25 3knu s THR 180 Ca -0.12 -1.65 -0.15 0.00 -1.21 0.00 0.00 61.69 58.56 3knu s THR 180 Cb -0.06 -2.61 0.05 0.00 -1.51 0.00 0.00 72.50 68.37 3knu s THR 180 CO 0.00 0.00 1.24 0.00 -2.21 0.00 0.00 174.62 173.65 3knu s ARG 181 N -3.14 1.96 0.58 7.08 1.70 -1.26 -4.60 118.95 121.28 3knu s ARG 181 Ca 0.32 1.86 -0.11 0.00 -0.47 0.00 0.00 55.73 57.33 3knu s ARG 181 Cb 0.00 -1.80 -0.04 0.00 -0.57 0.00 0.00 34.95 32.54 3knu s ARG 181 CO 0.21 -2.00 0.98 -1.25 -1.08 0.00 0.00 175.30 172.16 3knu s PRO 182 N -3.87 3.63 0.50 3.89 0.04 -1.26 -5.08 135.00 132.85 3knu s PRO 182 Ca 0.76 0.68 0.22 0.00 0.04 0.00 0.00 61.00 62.70 3knu s PRO 182 Cb -0.32 -2.14 1.32 0.00 0.04 0.00 0.00 34.50 33.41 3knu s PRO 182 CO 0.47 -0.47 2.07 0.00 0.04 0.00 0.00 177.00 179.11 3knu h ALA 183 N -0.09 1.53 -3.84 8.56 0.00 -1.93 -3.42 119.26 120.08 3knu h ALA 183 Ca -0.45 -0.11 -0.31 0.00 0.00 0.00 0.00 54.91 54.04 3knu h ALA 183 Cb 1.19 -0.02 -0.29 0.00 0.00 0.00 0.00 17.79 18.67 3knu h ALA 183 CO 0.62 0.15 -0.75 0.45 0.00 0.00 0.00 179.25 179.72 3knu s SER 184 N -6.55 0.50 -0.27 0.00 0.15 -1.26 -2.33 113.70 103.95 3knu s SER 184 Ca -0.04 -0.07 -0.10 0.00 0.70 0.00 0.00 55.95 56.44 3knu s SER 184 Cb 0.15 -0.08 0.11 0.00 -1.71 0.00 0.00 66.02 64.49 3knu s SER 184 CO 0.63 0.04 0.59 0.86 1.20 0.00 0.00 173.24 176.56 3knu s TRP 185 N -0.00 -1.17 -1.37 3.44 -0.00 -1.02 -4.88 118.94 113.95 3knu s TRP 185 Ca 0.00 2.09 -0.10 0.00 -0.00 0.00 0.00 56.10 58.10 3knu s TRP 185 Cb -0.03 0.66 0.07 0.00 -0.00 0.00 0.00 33.47 34.17 3knu s TRP 185 CO -0.00 -0.60 0.57 1.63 -0.00 0.00 0.00 176.95 178.55 3knu n LYS 186 N 5.31 -3.79 -1.00 5.86 5.02 -1.26 -1.11 118.16 127.20 3knu n LYS 186 Ca -0.12 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 3knu n LYS 186 Cb 0.50 -5.28 0.00 0.00 -0.02 0.00 0.00 35.03 30.23 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 -1.28 0.53 3.38 0.72 0.00 -1.26 -5.02 105.19 102.25 3knu n GLY 187 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.13 3.51 0.12 1.61 -1.94 -0.26 -5.10 119.30 117.11 3knu s MET 188 Ca 0.00 -0.56 -0.14 0.00 -1.71 0.00 0.00 55.69 53.28 3knu s MET 188 Cb 0.00 -3.11 -0.07 0.00 2.01 0.00 0.00 34.83 33.67 3knu s MET 188 CO 0.00 -0.14 0.53 -1.21 -0.01 0.00 0.00 175.02 174.19 3knu s GLU 189 N 1.39 3.98 0.36 2.03 8.01 -1.26 -2.43 118.70 130.78 3knu s GLU 189 Ca 0.05 0.48 -0.28 0.00 0.01 0.00 0.00 54.97 55.23 3knu s GLU 189 Cb -0.15 -2.99 -0.10 0.00 -4.31 0.00 0.00 34.13 26.58 3knu s GLU 189 CO -0.00 0.52 1.40 0.08 0.01 0.00 0.00 175.26 177.26 3knu s VAL 190 N -1.40 2.36 -0.05 2.63 1.01 -0.98 -4.91 120.40 119.06 3knu s VAL 190 Ca 0.35 0.36 -0.36 0.00 0.00 0.00 0.00 61.98 62.34 3knu s VAL 190 Cb -0.15 -3.23 -0.14 0.00 0.00 0.00 0.00 36.38 32.86 3knu s VAL 190 CO 0.19 0.08 1.69 -2.65 0.00 0.00 0.00 175.10 174.40 3knu n PRO 191 N 0.53 1.72 -0.05 2.72 -0.02 -1.26 -4.82 135.00 133.82 3knu n PRO 191 Ca 0.01 0.63 0.10 0.00 -2.02 0.00 0.00 63.50 62.22 3knu n PRO 191 Cb 0.41 -2.38 0.49 0.00 -0.02 0.00 0.00 33.50 31.99 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 7.17 0.42 -0.58 -0.52 4.81 -2.01 -1.43 114.58 122.43 3knu h GLU 192 Ca -0.47 -0.03 0.15 0.00 -0.13 0.00 0.00 59.36 58.89 3knu h GLU 192 Cb 1.29 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 3knu h GLU 192 CO 0.91 0.28 0.41 -0.24 -0.73 0.00 0.00 179.01 179.64 3knu h VAL 193 N 0.43 0.75 0.00 0.32 3.04 -1.98 0.11 116.25 118.92 3knu h VAL 193 Ca 0.24 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.89 3knu h VAL 193 Cb 0.39 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 30.31 3knu h VAL 193 CO -0.06 0.02 0.00 0.18 -1.01 0.00 0.00 177.57 176.69 3knu n LEU 194 N -4.40 0.29 -0.70 3.16 4.77 -0.54 -2.51 117.00 117.07 3knu n LEU 194 Ca 0.11 0.57 0.08 0.00 -0.03 0.00 0.00 56.01 56.74 3knu n LEU 194 Cb 0.58 -0.53 0.11 0.00 -2.33 0.00 0.00 43.42 41.25 3knu n LEU 194 CO 0.36 -0.38 0.55 0.18 -1.33 0.00 0.00 177.39 176.77 3knu n LEU 195 N -1.82 2.59 -0.11 2.23 4.77 0.37 -4.54 117.00 120.50 3knu n LEU 195 Ca 0.03 -1.30 0.12 0.00 -0.03 0.00 0.00 56.01 54.83 3knu n LEU 195 Cb 0.20 -0.10 0.25 0.00 -2.33 0.00 0.00 43.42 41.44 3knu n LEU 195 CO 0.17 0.53 0.47 0.35 -1.33 0.00 0.00 177.39 177.58 3knu n THR 196 N 0.89 0.00 -1.33 -5.08 -2.24 -1.04 -4.94 114.28 100.54 3knu n THR 196 Ca 0.11 -0.06 -0.12 0.00 -2.27 0.00 0.00 64.05 61.72 3knu n THR 196 Cb 0.42 0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 69.01 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 1.44 1.13 3.45 3.38 0.00 -1.26 -4.93 105.19 108.40 3knu n GLY 197 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.39 6.48 0.23 1.61 3.84 -1.26 -4.89 114.94 118.56 3knu s ASN 198 Ca 0.00 -1.72 -0.07 0.00 0.21 0.00 0.00 52.86 51.28 3knu s ASN 198 Cb 0.00 -2.40 0.27 0.00 -0.55 0.00 0.00 41.25 38.57 3knu s ASN 198 CO 0.00 -1.17 1.85 -0.74 -2.79 0.00 0.00 177.10 174.25 3knu h HIS 199 N 9.07 0.92 -0.21 0.43 -0.00 -1.95 -0.76 115.15 122.63 3knu h HIS 199 Ca 0.01 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.42 3knu h HIS 199 Cb 1.04 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 28.13 3knu h HIS 199 CO 1.10 0.49 0.10 0.78 -0.00 0.00 0.00 177.93 180.39 3knu h GLY 200 N 0.93 0.28 2.00 5.26 0.00 -2.00 -1.07 103.07 108.47 3knu h GLY 200 Ca 0.34 -0.07 -0.13 0.00 0.00 0.00 0.00 47.33 47.47 3knu h GLY 200 CO -0.15 0.06 -0.62 0.83 0.00 0.00 0.00 176.54 176.66 3knu h GLU 201 N 0.21 0.00 -0.09 4.80 4.39 -1.85 -2.18 114.58 119.86 3knu h GLU 201 Ca 0.09 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 3knu h GLU 201 Cb 0.03 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3knu h GLU 201 CO -0.07 0.62 -0.04 0.82 -1.16 0.00 0.00 179.01 179.18 3knu h ILE 202 N 0.00 1.32 0.05 3.13 2.04 -0.95 -0.51 117.51 122.60 3knu h ILE 202 Ca -0.01 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 64.82 3knu h ILE 202 Cb 1.11 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 39.01 3knu h ILE 202 CO 0.08 0.29 -0.13 -0.33 0.00 0.00 0.00 178.15 178.07 3knu h GLU 203 N -0.18 -0.24 -0.54 2.37 5.08 -1.15 -0.66 114.58 119.26 3knu h GLU 203 Ca 0.02 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.50 3knu h GLU 203 Cb 0.49 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.68 3knu h GLU 203 CO 0.01 -0.16 -0.26 -0.22 -1.00 0.00 0.00 179.01 177.39 3knu h LYS 204 N -0.24 -0.12 -0.82 2.33 3.64 -1.41 -0.57 116.57 119.37 3knu h LYS 204 Ca 0.03 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 3knu h LYS 204 Cb 0.27 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 3knu h LYS 204 CO -0.09 -0.08 0.38 2.35 -2.27 0.00 0.00 179.45 179.73 3knu h TRP 205 N -0.13 1.20 0.13 1.91 7.01 -0.65 -1.55 115.95 123.87 3knu h TRP 205 Ca 0.24 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 3knu h TRP 205 Cb 0.51 -0.37 0.00 0.00 -2.10 0.00 0.00 29.16 27.20 3knu h TRP 205 CO -0.55 0.87 -0.06 0.00 -2.79 0.00 0.00 178.44 175.91 3knu h ARG 206 N 1.18 -0.16 -0.62 2.65 3.08 -0.74 -1.96 114.38 117.81 3knu h ARG 206 Ca 0.28 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.45 3knu h ARG 206 Cb 0.14 0.04 -0.12 0.00 0.08 0.00 0.00 29.97 30.11 3knu h ARG 206 CO -0.03 0.21 -0.30 0.00 -1.07 0.00 0.00 179.97 178.77 3knu h ARG 207 N -0.57 -0.12 -0.43 0.04 3.08 -1.03 -2.02 114.38 113.33 3knu h ARG 207 Ca -0.02 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.11 3knu h ARG 207 Cb 0.45 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.46 3knu h ARG 207 CO 0.03 -0.08 0.07 -0.91 -1.07 0.00 0.00 179.97 178.00 3knu h ASN 208 N -0.13 -0.03 0.53 7.04 2.35 -1.19 -2.55 115.58 121.60 3knu h ASN 208 Ca 0.26 0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 56.05 3knu h ASN 208 Cb 0.54 0.12 -0.00 0.00 0.05 0.00 0.00 38.32 39.03 3knu h ASN 208 CO -0.69 0.02 -0.15 0.00 -1.65 0.00 0.00 177.43 174.95 3knu h ALA 209 N 1.34 1.20 -0.01 -0.83 0.00 -0.67 -3.52 119.26 116.76 3knu h ALA 209 Ca 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3knu h ALA 209 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3knu h ALA 209 CO -0.29 0.19 0.00 -1.13 0.00 0.00 0.00 179.25 178.02