#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2knf n ASN -3 N 0.00 3.07 -1.92 4.04 6.94 -1.26 -4.88 115.26 121.25 2knf n ASN -3 Ca 0.00 -2.15 -0.14 0.00 -0.02 0.00 0.00 54.58 52.28 2knf n ASN -3 Cb 0.00 -0.41 0.02 0.00 -2.36 0.00 0.00 39.78 37.04 2knf n ASN -3 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2knf n ALA -2 N 0.86 -0.59 -0.93 -2.53 0.00 -1.26 -4.77 120.51 111.29 2knf n ALA -2 Ca 0.17 0.18 -0.10 0.00 0.00 0.00 0.00 53.44 53.69 2knf n ALA -2 Cb 0.54 -2.57 -0.13 0.00 0.00 0.00 0.00 19.45 17.29 2knf n ALA -2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2knf n ASP -1 N -0.83 5.31 -3.49 0.00 2.03 -1.26 -2.36 116.55 115.95 2knf n ASP -1 Ca -0.07 -2.50 -0.11 0.00 0.52 0.00 0.00 54.79 52.63 2knf n ASP -1 Cb 0.57 -1.36 -0.02 0.00 -0.72 0.00 0.00 41.12 39.59 2knf n ASP -1 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2knf s MET 2 N -3.77 3.62 -0.50 0.00 0.23 0.11 -3.86 119.30 115.13 2knf s MET 2 Ca 0.02 -0.05 -0.10 0.00 -1.03 0.00 0.00 55.69 54.53 2knf s MET 2 Cb -0.01 -3.01 0.13 0.00 -1.53 0.00 0.00 34.83 30.41 2knf s MET 2 CO -0.11 0.59 0.39 -0.06 -2.03 0.00 0.00 175.02 173.80 2knf s PHE 3 N -1.41 3.40 0.00 3.16 0.40 -1.26 0.16 117.98 122.43 2knf s PHE 3 Ca 0.32 -1.79 0.00 0.00 -0.60 0.00 0.00 56.93 54.86 2knf s PHE 3 Cb -0.13 -3.56 0.00 0.00 0.51 0.00 0.00 43.02 39.84 2knf s PHE 3 CO 0.19 -1.00 0.00 0.41 0.70 0.00 0.00 175.22 175.52 2knf n GLY 4 N 4.91 2.07 0.18 4.36 0.00 -1.26 -3.34 105.19 112.11 2knf n GLY 4 Ca -0.08 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.52 2knf n GLY 4 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2knf h ASN 5 N 0.00 0.00 0.00 1.61 2.35 -1.91 -3.46 115.58 114.17 2knf h ASN 5 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2knf h ASN 5 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2knf h ASN 5 CO 0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 2knf n GLY 6 N 1.14 1.25 0.32 2.83 0.00 -1.21 -1.44 105.19 108.08 2knf n GLY 6 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 2knf n GLY 6 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2knf h LYS 7 N 1.66 1.10 -0.46 1.61 1.57 -1.75 -2.11 116.57 118.19 2knf h LYS 7 Ca 0.00 -0.26 -0.10 0.00 -1.87 0.00 0.00 60.65 58.42 2knf h LYS 7 Cb 0.00 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.10 2knf h LYS 7 CO 0.00 0.97 0.08 0.41 -0.57 0.00 0.00 179.45 180.33 2knf n GLY 8 N -0.69 3.99 3.58 3.86 0.00 -1.26 -4.79 105.19 109.87 2knf n GLY 8 Ca 0.05 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 2knf n GLY 8 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2knf s TYR 9 N -2.96 1.66 -0.42 1.61 5.04 -0.80 -4.36 117.35 117.11 2knf s TYR 9 Ca 0.48 0.78 0.04 0.00 -2.44 0.00 0.00 57.07 55.93 2knf s TYR 9 Cb 0.39 -4.05 0.46 0.00 0.35 0.00 0.00 41.96 39.12 2knf s TYR 9 CO 0.09 -2.70 1.51 0.54 -1.34 0.00 0.00 175.55 173.65 2knf n ARG 10 N 8.78 3.14 0.00 4.97 5.12 -1.24 -4.86 116.66 132.57 2knf n ARG 10 Ca 0.24 -3.78 0.00 0.00 -1.93 0.00 0.00 57.85 52.38 2knf n ARG 10 Cb 0.50 -2.24 0.00 0.00 -1.16 0.00 0.00 32.46 29.55 2knf n ARG 10 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2knf n GLY 11 N -0.82 1.26 0.45 -0.13 0.00 -1.00 -4.54 105.19 100.41 2knf n GLY 11 Ca 0.50 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.60 2knf n GLY 11 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2knf n LYS 12 N 0.00 0.00 -2.15 1.61 2.85 -1.26 -4.77 118.16 114.44 2knf n LYS 12 Ca 0.00 -0.93 -0.41 0.00 -1.05 0.00 0.00 58.31 55.92 2knf n LYS 12 Cb 0.00 -0.49 -0.03 0.00 -0.65 0.00 0.00 35.03 33.87 2knf n LYS 12 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2knf s ARG 13 N 0.00 4.37 -0.09 -1.58 3.00 -1.26 -4.84 118.95 118.55 2knf s ARG 13 Ca 0.00 2.15 0.25 0.00 0.00 0.00 0.00 55.73 58.13 2knf s ARG 13 Cb 0.00 -3.12 0.45 0.00 0.00 0.00 0.00 34.95 32.28 2knf s ARG 13 CO 0.00 -0.21 1.15 1.33 0.00 0.00 0.00 175.30 177.57 2knf n VAL 14 N 1.60 0.45 -3.74 3.52 0.24 -1.26 0.88 118.33 120.02 2knf n VAL 14 Ca 0.03 -1.68 -0.13 0.00 -2.04 0.00 0.00 64.34 60.52 2knf n VAL 14 Cb 0.42 1.11 -0.10 0.00 -1.47 0.00 0.00 33.84 33.79 2knf n VAL 14 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2knf s THR 15 N -1.36 -0.00 0.70 3.34 2.01 -1.26 -0.40 115.64 118.67 2knf s THR 15 Ca 0.31 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 62.20 2knf s THR 15 Cb 0.36 -0.54 0.17 0.00 0.01 0.00 0.00 72.50 72.50 2knf s THR 15 CO -0.12 0.00 0.77 0.35 -0.69 0.00 0.00 174.62 174.93 2knf n THR 16 N 3.00 0.00 0.30 -0.82 -2.24 0.10 -4.19 114.28 110.43 2knf n THR 16 Ca -0.14 -0.46 0.19 0.00 -2.27 0.00 0.00 64.05 61.37 2knf n THR 16 Cb 0.57 -1.41 0.90 0.00 -2.10 0.00 0.00 70.33 68.29 2knf n THR 16 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 2knf h VAL 17 N -1.89 0.05 0.00 2.28 -1.51 0.48 -0.81 116.25 114.85 2knf h VAL 17 Ca -0.27 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 2knf h VAL 17 Cb 0.77 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 2knf h VAL 17 CO 0.18 0.01 -0.85 0.35 -1.23 0.00 0.00 177.57 176.03 2knf n THR 18 N -3.13 0.21 -0.50 7.19 -2.24 -1.26 -4.92 114.28 109.62 2knf n THR 18 Ca -0.01 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2knf n THR 18 Cb 0.21 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 2knf n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2knf n GLY 19 N 1.37 0.74 3.66 3.38 0.00 -0.31 -5.04 105.19 108.99 2knf n GLY 19 Ca 0.03 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2knf n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2knf s THR 20 N -2.00 4.39 -0.03 2.61 2.01 -1.26 -4.65 115.64 116.71 2knf s THR 20 Ca 0.00 1.68 -0.37 0.00 0.31 0.00 0.00 61.69 63.32 2knf s THR 20 Cb 0.00 -4.09 -0.15 0.00 0.01 0.00 0.00 72.50 68.27 2knf s THR 20 CO 0.00 -0.13 1.58 -2.65 -0.69 0.00 0.00 174.62 172.73 2knf n PRO 21 N 6.32 1.50 -1.98 4.92 -0.02 -1.26 0.01 135.00 144.48 2knf n PRO 21 Ca 0.13 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.74 2knf n PRO 21 Cb 0.45 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 2knf n PRO 21 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2knf s GLN 23 N -1.26 1.27 -0.06 0.00 0.74 0.38 -4.72 119.66 116.00 2knf s GLN 23 Ca 0.54 0.69 -0.30 0.00 0.05 0.00 0.00 55.36 56.35 2knf s GLN 23 Cb -0.43 -1.82 -0.03 0.00 1.10 0.00 0.00 33.01 31.83 2knf s GLN 23 CO 0.51 -2.20 1.18 -0.51 -0.55 0.00 0.00 175.29 173.73 2knf s ASP 24 N -3.57 7.07 0.54 6.67 1.11 -1.26 -4.38 116.67 122.86 2knf s ASP 24 Ca 0.63 1.78 0.26 0.00 0.18 0.00 0.00 52.55 55.40 2knf s ASP 24 Cb -0.17 -2.56 1.43 0.00 1.07 0.00 0.00 42.92 42.69 2knf s ASP 24 CO 0.56 -0.57 2.00 -0.50 1.18 0.00 0.00 175.17 177.84 2knf h TRP 25 N 7.43 0.00 0.00 4.23 4.06 -1.50 0.30 115.95 130.47 2knf h TRP 25 Ca -0.33 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.59 2knf h TRP 25 Cb 1.16 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.31 2knf h TRP 25 CO 0.73 0.00 -0.11 0.00 -3.56 0.00 0.00 178.44 175.50 2knf h ALA 26 N 1.72 0.95 -2.92 1.49 0.00 -1.84 -3.39 119.26 115.27 2knf h ALA 26 Ca 0.23 -0.10 -0.62 0.00 0.00 0.00 0.00 54.91 54.42 2knf h ALA 26 Cb 0.96 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2knf h ALA 26 CO -0.00 0.14 -0.51 0.00 0.00 0.00 0.00 179.25 178.88 2knf s ALA 27 N -3.32 3.95 -0.47 0.00 0.00 0.11 -4.96 121.76 117.07 2knf s ALA 27 Ca 0.04 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.16 2knf s ALA 27 Cb 0.07 -1.78 0.57 0.00 0.00 0.00 0.00 23.12 21.99 2knf s ALA 27 CO 0.65 0.80 1.83 1.04 0.00 0.00 0.00 175.76 180.08 2knf n GLN 28 N 0.25 2.35 -3.66 0.00 1.13 -1.26 -4.62 117.38 111.57 2knf n GLN 28 Ca -0.06 -3.18 -0.17 0.00 -1.94 0.00 0.00 57.00 51.66 2knf n GLN 28 Cb 0.51 -2.14 -0.16 0.00 0.11 0.00 0.00 30.24 28.56 2knf n GLN 28 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2knf s GLU 29 N -3.44 0.03 -0.25 -1.09 2.02 -1.26 -2.06 118.70 112.65 2knf s GLU 29 Ca 0.56 0.53 0.01 0.00 0.02 0.00 0.00 54.97 56.10 2knf s GLU 29 Cb 0.47 -0.34 0.31 0.00 0.10 0.00 0.00 34.13 34.68 2knf s GLU 29 CO 0.05 -0.32 1.57 -0.35 0.02 0.00 0.00 175.26 176.23 2knf n PRO 30 N 5.32 1.67 -3.82 0.39 -0.04 -1.26 -4.63 135.00 132.63 2knf n PRO 30 Ca -0.04 -1.54 -0.28 0.00 -0.04 0.00 0.00 63.50 61.60 2knf n PRO 30 Cb 0.50 -1.60 -0.16 0.00 -0.04 0.00 0.00 33.50 32.19 2knf n PRO 30 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2knf s HIS 31 N -1.71 1.39 -0.23 0.54 3.76 -0.99 -5.00 115.29 113.04 2knf s HIS 31 Ca 0.29 -0.97 -0.29 0.00 -0.15 0.00 0.00 55.06 53.94 2knf s HIS 31 Cb 0.24 -1.17 -0.01 0.00 1.11 0.00 0.00 32.58 32.75 2knf s HIS 31 CO 0.04 -0.60 1.39 1.03 -0.85 0.00 0.00 174.74 175.75 2knf s ARG 32 N 1.73 3.98 -0.38 1.40 3.00 -0.87 -4.06 118.95 123.75 2knf s ARG 32 Ca -0.00 1.50 0.03 0.00 0.00 0.00 0.00 55.73 57.27 2knf s ARG 32 Cb -0.16 -3.89 0.16 0.00 0.00 0.00 0.00 34.95 31.05 2knf s ARG 32 CO -0.07 -1.04 0.39 -3.38 0.00 0.00 0.00 175.30 171.20 2knf s HIS 33 N 4.33 -0.34 0.00 -0.53 -3.43 -1.26 -4.96 115.29 109.09 2knf s HIS 33 Ca 0.60 -0.83 0.00 0.00 -0.80 0.00 0.00 55.06 54.03 2knf s HIS 33 Cb -0.21 -0.38 0.00 0.00 -1.43 0.00 0.00 32.58 30.56 2knf s HIS 33 CO 0.23 -0.98 1.44 0.43 -2.00 0.00 0.00 174.74 173.86 2knf n SER 34 N 4.17 3.98 -3.88 7.38 7.64 -1.26 -4.68 113.62 126.97 2knf n SER 34 Ca 0.12 -2.09 -0.11 0.00 1.01 0.00 0.00 58.87 57.80 2knf n SER 34 Cb 0.46 -0.79 -0.11 0.00 -1.01 0.00 0.00 64.21 62.76 2knf n SER 34 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2knf s ILE 35 N 0.14 0.06 -1.38 0.44 -4.36 -1.26 -4.83 121.20 110.01 2knf s ILE 35 Ca 0.00 -0.51 -0.05 0.00 -0.26 0.00 0.00 60.65 59.84 2knf s ILE 35 Cb 0.00 -0.31 0.03 0.00 1.25 0.00 0.00 42.46 43.43 2knf s ILE 35 CO 0.00 -0.28 0.81 0.49 0.24 0.00 0.00 174.94 176.20 2knf n PHE 36 N 2.01 -2.07 -3.02 1.37 3.72 -1.26 -5.01 117.46 113.19 2knf n PHE 36 Ca -0.20 0.87 -0.19 0.00 -0.05 0.00 0.00 57.45 57.88 2knf n PHE 36 Cb 0.57 -4.29 0.05 0.00 -0.94 0.00 0.00 39.48 34.87 2knf n PHE 36 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2knf s THR 37 N -3.54 2.32 0.55 4.37 -4.23 -1.26 -4.80 115.64 109.05 2knf s THR 37 Ca 0.23 -0.99 0.38 0.00 -1.18 0.00 0.00 61.69 60.14 2knf s THR 37 Cb -0.12 -2.33 0.40 0.00 1.34 0.00 0.00 72.50 71.80 2knf s THR 37 CO 0.81 0.00 2.27 -0.65 -0.54 0.00 0.00 174.62 176.51 2knf h PRO 38 N 0.26 0.00 0.08 3.99 0.11 -1.79 -0.92 132.00 133.73 2knf h PRO 38 Ca -0.32 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.48 2knf h PRO 38 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 2knf h PRO 38 CO 0.42 0.02 -1.68 0.93 -0.21 0.00 0.00 178.00 177.47 2knf h GLU 39 N 0.00 0.16 0.00 1.05 3.07 -1.94 -3.03 114.58 113.90 2knf h GLU 39 Ca -0.00 -0.28 -0.11 0.00 -0.50 0.00 0.00 59.36 58.47 2knf h GLU 39 Cb 0.11 0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 2knf h GLU 39 CO 0.00 0.93 -1.20 1.79 -1.40 0.00 0.00 179.01 179.14 2knf h THR 40 N 0.04 0.38 -1.99 1.13 1.35 -1.90 -3.40 112.91 108.52 2knf h THR 40 Ca -0.29 -1.72 -0.49 0.00 -0.55 0.00 0.00 66.41 63.36 2knf h THR 40 Cb 2.01 1.92 -0.40 0.00 -1.73 0.00 0.00 68.15 69.94 2knf h THR 40 CO 0.12 0.22 -1.09 0.59 -0.25 0.00 0.00 175.52 175.10 2knf n ASN 41 N -2.86 1.60 0.00 5.36 4.13 -0.36 -4.91 115.26 118.22 2knf n ASN 41 Ca -0.06 -3.13 0.02 0.00 1.68 0.00 0.00 54.58 53.09 2knf n ASN 41 Cb 0.75 -0.60 0.12 0.00 -1.54 0.00 0.00 39.78 38.51 2knf n ASN 41 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 2knf n PRO 42 N 0.15 0.22 0.04 3.52 -0.02 -1.14 -2.56 135.00 135.22 2knf n PRO 42 Ca 0.25 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.85 2knf n PRO 42 Cb 0.62 -1.29 -0.08 0.00 -0.02 0.00 0.00 33.50 32.73 2knf n PRO 42 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2knf n ARG 43 N -0.79 0.59 -0.06 -0.52 1.85 -1.26 -4.13 116.66 112.34 2knf n ARG 43 Ca 0.03 -0.04 0.07 0.00 -1.00 0.00 0.00 57.85 56.91 2knf n ARG 43 Cb 0.01 -1.66 0.09 0.00 -1.05 0.00 0.00 32.46 29.85 2knf n ARG 43 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2knf n ALA 44 N -2.17 2.40 -3.20 2.89 0.00 -1.06 -4.99 120.51 114.38 2knf n ALA 44 Ca -0.02 -0.76 -0.15 0.00 0.00 0.00 0.00 53.44 52.52 2knf n ALA 44 Cb 0.55 -0.46 0.07 0.00 0.00 0.00 0.00 19.45 19.60 2knf n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2knf n GLY 45 N 0.72 -0.21 3.20 0.00 0.00 -1.26 -4.83 105.19 102.82 2knf n GLY 45 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2knf n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2knf n LEU 46 N -3.65 4.85 -4.93 0.99 4.32 -1.26 -4.92 117.00 112.40 2knf n LEU 46 Ca -0.17 -3.53 -0.28 0.00 -0.02 0.00 0.00 56.01 52.00 2knf n LEU 46 Cb 0.61 -1.54 -0.04 0.00 -1.62 0.00 0.00 43.42 40.84 2knf n LEU 46 CO 0.49 -0.13 -0.08 -1.83 -1.22 0.00 0.00 177.39 174.62 2knf s GLU 47 N 4.62 3.47 3.35 3.23 -1.05 -1.26 -4.00 118.70 127.07 2knf s GLU 47 Ca 0.56 -0.45 0.00 0.00 -0.15 0.00 0.00 54.97 54.93 2knf s GLU 47 Cb 0.09 -2.95 0.00 0.00 -0.44 0.00 0.00 34.13 30.83 2knf s GLU 47 CO 0.06 0.52 0.00 1.63 0.95 0.00 0.00 175.26 178.41 2knf n LYS 48 N -0.25 0.00 -0.48 -4.83 5.02 -1.26 -2.38 118.16 113.98 2knf n LYS 48 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 2knf n LYS 48 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 2knf n LYS 48 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2knf n ASN 49 N 7.07 0.00 -4.71 4.39 6.94 -1.26 -1.32 115.26 126.37 2knf n ASN 49 Ca 0.00 -1.93 -0.42 0.00 -0.02 0.00 0.00 54.58 52.21 2knf n ASN 49 Cb 0.00 -0.19 -0.03 0.00 -2.36 0.00 0.00 39.78 37.20 2knf n ASN 49 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2knf s TYR 50 N 0.00 2.79 0.47 -2.53 2.02 -1.00 -4.50 117.35 114.60 2knf s TYR 50 Ca 0.00 0.37 -0.23 0.00 -0.37 0.00 0.00 57.07 56.84 2knf s TYR 50 Cb 0.00 -4.06 -0.09 0.00 -0.40 0.00 0.00 41.96 37.41 2knf s TYR 50 CO 0.00 -4.08 1.02 0.00 -1.57 0.00 0.00 175.55 170.91 2knf s ARG 52 N -2.22 1.28 -0.60 0.00 1.81 -0.46 -4.76 118.95 113.99 2knf s ARG 52 Ca 0.66 -0.97 0.04 0.00 -1.72 0.00 0.00 55.73 53.74 2knf s ARG 52 Cb -0.51 0.46 0.16 0.00 -0.45 0.00 0.00 34.95 34.62 2knf s ARG 52 CO 0.54 -0.51 0.43 1.21 -0.68 0.00 0.00 175.30 176.29 2knf s ASN 53 N -2.90 3.89 0.47 0.23 3.84 -1.15 -1.01 114.94 118.30 2knf s ASN 53 Ca 0.12 -3.53 0.13 0.00 0.21 0.00 0.00 52.86 49.79 2knf s ASN 53 Cb 0.01 -1.30 1.10 0.00 -0.55 0.00 0.00 41.25 40.51 2knf s ASN 53 CO -0.02 -0.13 2.09 -0.65 -2.79 0.00 0.00 177.10 175.60 2knf h PRO 54 N 5.62 0.24 0.00 0.43 0.11 -1.93 -2.04 132.00 134.43 2knf h PRO 54 Ca 0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2knf h PRO 54 Cb 0.81 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.87 2knf h PRO 54 CO 0.61 0.16 -0.98 -0.44 -0.21 0.00 0.00 178.00 177.15 2knf h ASP 55 N 0.25 0.00 -5.77 -2.05 3.32 -1.98 -3.48 116.42 106.71 2knf h ASP 55 Ca 0.11 -0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.78 2knf h ASP 55 Cb 0.12 0.00 0.15 0.00 0.22 0.00 0.00 39.33 39.82 2knf h ASP 55 CO -0.02 0.00 -0.72 0.61 -1.72 0.00 0.00 179.24 177.39 2knf n GLY 56 N 1.18 -0.47 3.57 2.75 0.00 -0.77 -4.91 105.19 106.54 2knf n GLY 56 Ca 0.00 0.19 -0.49 0.00 0.00 0.00 0.00 46.02 45.73 2knf n GLY 56 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2knf n ASP 57 N -3.06 1.20 0.00 1.61 2.03 -1.26 -4.79 116.55 112.27 2knf n ASP 57 Ca -0.11 1.15 0.03 0.00 0.52 0.00 0.00 54.79 56.37 2knf n ASP 57 Cb 0.60 -1.20 0.18 0.00 -0.72 0.00 0.00 41.12 39.98 2knf n ASP 57 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2knf n VAL 58 N 1.32 0.00 0.15 5.18 0.31 -1.26 -1.48 118.33 122.54 2knf n VAL 58 Ca 0.15 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.56 2knf n VAL 58 Cb 0.25 -0.37 -0.12 0.00 -0.91 0.00 0.00 33.84 32.69 2knf n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2knf n GLY 59 N 0.11 -0.67 0.00 2.92 0.00 -1.26 -5.02 105.19 101.27 2knf n GLY 59 Ca 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2knf n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2knf n GLY 60 N 1.55 0.81 3.80 -0.02 0.00 -0.55 -5.07 105.19 105.70 2knf n GLY 60 Ca -0.02 -2.25 -0.32 0.00 0.00 0.00 0.00 46.02 43.43 2knf n GLY 60 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2knf s PRO 61 N -0.89 2.94 0.07 1.61 0.04 -0.52 -4.52 135.00 133.74 2knf s PRO 61 Ca 0.00 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.15 2knf s PRO 61 Cb 0.00 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.55 2knf s PRO 61 CO 0.00 -1.11 0.09 -2.67 0.04 0.00 0.00 177.00 173.35 2knf n TRP 62 N -2.79 -0.48 -3.90 0.56 4.27 -0.18 -1.11 117.44 113.81 2knf n TRP 62 Ca 0.08 -0.54 -0.03 0.00 -3.89 0.00 0.00 57.50 53.12 2knf n TRP 62 Cb 0.53 0.10 0.02 0.00 -1.36 0.00 0.00 31.31 30.60 2knf n TRP 62 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2knf s TYR 64 N -2.12 3.55 0.02 0.00 2.02 -1.26 -1.81 117.35 117.74 2knf s TYR 64 Ca 0.23 0.37 -0.00 0.00 -0.37 0.00 0.00 57.07 57.29 2knf s TYR 64 Cb -0.03 -1.84 -0.04 0.00 -0.40 0.00 0.00 41.96 39.66 2knf s TYR 64 CO 0.06 0.65 0.12 0.95 -1.57 0.00 0.00 175.55 175.76 2knf s THR 65 N -1.30 4.97 -0.63 -0.71 -4.23 -0.42 0.14 115.64 113.47 2knf s THR 65 Ca 0.26 -0.40 0.01 0.00 -1.18 0.00 0.00 61.69 60.37 2knf s THR 65 Cb -0.13 -3.33 0.04 0.00 1.34 0.00 0.00 72.50 70.43 2knf s THR 65 CO 0.17 0.28 0.73 0.35 -0.54 0.00 0.00 174.62 175.61 2knf n THR 66 N 0.88 0.49 -3.75 3.99 -2.24 -0.51 -4.59 114.28 108.53 2knf n THR 66 Ca -0.11 -0.08 -0.37 0.00 -2.27 0.00 0.00 64.05 61.23 2knf n THR 66 Cb 0.52 -0.66 -0.12 0.00 -2.10 0.00 0.00 70.33 67.97 2knf n THR 66 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2knf s ASN 67 N 0.29 5.47 0.00 3.42 3.84 -1.26 -4.86 114.94 121.84 2knf s ASN 67 Ca 0.03 -0.10 0.12 0.00 0.21 0.00 0.00 52.86 53.11 2knf s ASN 67 Cb 0.02 -1.99 0.68 0.00 -0.55 0.00 0.00 41.25 39.42 2knf s ASN 67 CO 0.01 -0.00 1.13 -2.65 -2.79 0.00 0.00 177.10 172.80 2knf n PRO 68 N 4.72 0.35 -0.00 0.43 -0.02 -1.26 -2.46 135.00 136.76 2knf n PRO 68 Ca -0.16 0.01 -0.21 0.00 -2.02 0.00 0.00 63.50 61.13 2knf n PRO 68 Cb 0.52 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.36 2knf n PRO 68 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2knf h ARG 69 N 0.00 0.21 -4.87 -0.52 2.47 -1.96 -3.48 114.38 106.23 2knf h ARG 69 Ca 0.00 -0.36 -0.37 0.00 -1.26 0.00 0.00 59.98 57.99 2knf h ARG 69 Cb 0.01 0.13 -0.25 0.00 -1.65 0.00 0.00 29.97 28.21 2knf h ARG 69 CO 0.00 1.17 -0.77 -1.59 0.56 0.00 0.00 179.97 179.35 2knf s LYS 70 N -2.44 0.70 0.08 0.04 0.00 -1.03 -5.05 119.74 112.05 2knf s LYS 70 Ca -0.19 -0.62 -0.16 0.00 0.00 0.00 0.00 55.97 54.99 2knf s LYS 70 Cb 0.03 -0.63 -0.13 0.00 0.00 0.00 0.00 37.83 37.10 2knf s LYS 70 CO 0.76 0.15 1.34 1.25 0.00 0.00 0.00 175.35 178.85 2knf h LEU 71 N 5.07 0.69 -8.23 2.77 5.85 -1.89 -3.40 115.31 116.16 2knf h LEU 71 Ca -0.35 -0.54 -0.14 0.00 0.84 0.00 0.00 57.88 57.69 2knf h LEU 71 Cb 1.19 -0.20 -0.14 0.00 0.37 0.00 0.00 40.66 41.88 2knf h LEU 71 CO 0.44 1.10 -0.51 -0.72 -0.34 0.00 0.00 178.44 178.42 2knf s TYR 72 N -4.08 0.60 0.32 1.25 1.13 -1.26 -1.30 117.35 114.01 2knf s TYR 72 Ca -0.12 -0.99 -0.16 0.00 -1.41 0.00 0.00 57.07 54.38 2knf s TYR 72 Cb 0.07 -0.28 0.03 0.00 -1.10 0.00 0.00 41.96 40.68 2knf s TYR 72 CO 0.83 -0.58 0.69 0.34 -2.51 0.00 0.00 175.55 174.32 2knf s ASP 73 N -2.99 -0.05 0.34 -0.18 2.15 -0.75 -4.83 116.67 110.36 2knf s ASP 73 Ca 0.18 -0.92 -0.01 0.00 0.43 0.00 0.00 52.55 52.23 2knf s ASP 73 Cb 0.06 0.75 -0.04 0.00 -0.30 0.00 0.00 42.92 43.39 2knf s ASP 73 CO -0.01 -1.44 0.56 -0.31 -0.17 0.00 0.00 175.17 173.79 2knf s TYR 74 N -3.28 3.50 0.44 -5.34 1.51 -1.26 -1.37 117.35 111.55 2knf s TYR 74 Ca 0.16 0.44 0.08 0.00 -1.01 0.00 0.00 57.07 56.73 2knf s TYR 74 Cb -0.05 -1.96 -0.01 0.00 -0.11 0.00 0.00 41.96 39.84 2knf s TYR 74 CO 0.10 0.12 0.41 0.00 -1.11 0.00 0.00 175.55 175.07 2knf n ASP 76 N -1.62 3.36 -4.63 0.00 2.03 -1.26 -4.62 116.55 109.80 2knf n ASP 76 Ca 0.04 -3.37 -0.35 0.00 0.52 0.00 0.00 54.79 51.64 2knf n ASP 76 Cb 0.62 -0.66 -0.10 0.00 -0.72 0.00 0.00 41.12 40.26 2knf n ASP 76 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2knf s VAL 77 N -2.46 4.54 0.89 5.18 0.11 -1.26 -5.06 120.40 122.35 2knf s VAL 77 Ca 0.40 -0.13 -0.11 0.00 -2.93 0.00 0.00 61.98 59.21 2knf s VAL 77 Cb 0.16 -3.00 0.13 0.00 -1.53 0.00 0.00 36.38 32.14 2knf s VAL 77 CO -0.03 0.51 1.10 -2.16 -3.33 0.00 0.00 175.10 171.19 2knf s PRO 78 N 0.01 1.25 -0.45 1.54 0.04 -1.26 -4.49 135.00 131.64 2knf s PRO 78 Ca 0.04 1.17 -0.29 0.00 0.04 0.00 0.00 61.00 61.97 2knf s PRO 78 Cb -0.12 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.65 2knf s PRO 78 CO 0.01 -2.35 1.40 -1.14 0.04 0.00 0.00 177.00 174.96 2knf s GLN 79 N -4.78 3.52 0.13 4.56 2.00 -1.26 0.05 119.66 123.89 2knf s GLN 79 Ca 0.64 0.80 -0.08 0.00 -2.00 0.00 0.00 55.36 54.73 2knf s GLN 79 Cb -0.20 -4.04 -0.06 0.00 0.80 0.00 0.00 33.01 29.51 2knf s GLN 79 CO 0.58 -1.64 1.37 0.00 -0.50 0.00 0.00 175.29 175.09 2knf n ALA 81 N -2.57 6.60 -1.03 0.00 0.00 -1.12 -4.97 120.51 117.43 2knf n ALA 81 Ca -0.06 -2.53 0.00 0.00 0.00 0.00 0.00 53.44 50.85 2knf n ALA 81 Cb 0.72 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.72 2knf n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50