#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 0.00 -0.25 6.43 6.94 -1.26 -4.83 115.26 122.29 2knf n ASN -3 Ca 0.00 -0.98 -0.03 0.00 -0.02 0.00 0.00 54.58 53.55 2knf n ASN -3 Cb 0.00 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 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 -0.94 -0.05 -2.23 -2.53 0.00 -1.26 -4.93 120.51 108.57 2knf n ALA -2 Ca 0.18 0.04 -0.41 0.00 0.00 0.00 0.00 53.44 53.25 2knf n ALA -2 Cb 0.08 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 1.52 7.33 -3.66 0.00 2.03 -1.26 -3.42 116.55 119.08 2knf n ASP -1 Ca -0.03 -3.25 -0.14 0.00 0.52 0.00 0.00 54.79 51.89 2knf n ASP -1 Cb 0.22 -1.34 -0.07 0.00 -0.72 0.00 0.00 41.12 39.21 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 -1.72 3.50 -0.45 0.00 0.23 0.54 -4.09 119.30 117.31 2knf s MET 2 Ca -0.10 -0.40 -0.03 0.00 -1.03 0.00 0.00 55.69 54.14 2knf s MET 2 Cb -0.02 -2.80 0.12 0.00 -1.53 0.00 0.00 34.83 30.60 2knf s MET 2 CO 0.03 0.34 0.25 -0.06 -2.03 0.00 0.00 175.02 173.55 2knf s PHE 3 N -1.99 3.55 0.00 3.16 0.40 -1.26 0.16 117.98 122.00 2knf s PHE 3 Ca 0.38 -2.51 0.00 0.00 -0.60 0.00 0.00 56.93 54.20 2knf s PHE 3 Cb -0.10 -3.20 0.00 0.00 0.51 0.00 0.00 43.02 40.22 2knf s PHE 3 CO 0.31 -0.94 0.00 0.41 0.70 0.00 0.00 175.22 175.70 2knf n GLY 4 N 4.32 1.96 0.15 4.36 0.00 -1.26 -3.20 105.19 111.51 2knf n GLY 4 Ca 0.00 -0.32 0.04 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.92 -3.46 115.58 114.16 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 0.45 0.00 0.61 -1.65 0.00 0.00 177.43 176.84 2knf n GLY 6 N 1.14 1.33 0.21 2.83 0.00 -1.20 -1.47 105.19 108.03 2knf n GLY 6 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 0.59 0.68 -0.65 1.61 1.57 -1.74 -2.31 116.57 116.31 2knf h LYS 7 Ca 0.00 -0.19 -0.22 0.00 -1.87 0.00 0.00 60.65 58.37 2knf h LYS 7 Cb 0.00 -0.07 -0.13 0.00 0.08 0.00 0.00 32.23 32.11 2knf h LYS 7 CO 0.00 0.73 0.23 0.41 -0.57 0.00 0.00 179.45 180.25 2knf n GLY 8 N -0.46 4.00 3.57 3.86 0.00 -1.26 -4.75 105.19 110.13 2knf n GLY 8 Ca -0.01 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.05 1.59 -0.60 1.61 5.04 -0.90 -4.58 117.35 116.47 2knf s TYR 9 Ca 0.52 0.86 0.01 0.00 -2.44 0.00 0.00 57.07 56.03 2knf s TYR 9 Cb 0.43 -4.01 0.42 0.00 0.35 0.00 0.00 41.96 39.14 2knf s TYR 9 CO 0.11 -2.60 1.67 0.54 -1.34 0.00 0.00 175.55 173.92 2knf n ARG 10 N 8.91 3.05 0.00 4.97 5.12 -1.26 -4.82 116.66 132.63 2knf n ARG 10 Ca 0.24 -3.80 0.00 0.00 -1.93 0.00 0.00 57.85 52.37 2knf n ARG 10 Cb 0.51 -2.27 0.00 0.00 -1.16 0.00 0.00 32.46 29.53 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 -0.67 1.49 0.50 -0.13 0.00 -1.22 -4.67 105.19 100.49 2knf n GLY 11 Ca 0.51 -1.88 -0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.11 1.61 2.85 -1.26 -4.77 118.16 114.48 2knf n LYS 12 Ca 0.00 -0.56 -0.41 0.00 -1.05 0.00 0.00 58.31 56.29 2knf n LYS 12 Cb 0.00 -0.28 -0.02 0.00 -0.65 0.00 0.00 35.03 34.08 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 4.35 -0.23 -1.58 1.81 -1.26 -4.81 118.95 117.23 2knf s ARG 13 Ca 0.00 2.22 0.21 0.00 -1.72 0.00 0.00 55.73 56.44 2knf s ARG 13 Cb 0.00 -3.08 0.49 0.00 -0.45 0.00 0.00 34.95 31.91 2knf s ARG 13 CO -0.00 -0.22 1.13 1.33 -0.68 0.00 0.00 175.30 176.86 2knf n VAL 14 N 1.09 1.30 -3.72 3.52 0.24 -1.26 0.86 118.33 120.35 2knf n VAL 14 Ca 0.01 -2.86 -0.14 0.00 -2.04 0.00 0.00 64.34 59.32 2knf n VAL 14 Cb 0.42 0.88 -0.09 0.00 -1.47 0.00 0.00 33.84 33.58 2knf n VAL 14 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2knf s THR 15 N -3.40 0.04 0.33 3.34 -4.23 -1.26 -0.87 115.64 109.58 2knf s THR 15 Ca 0.32 -0.31 -0.05 0.00 -1.18 0.00 0.00 61.69 60.46 2knf s THR 15 Cb 0.34 -0.66 0.08 0.00 1.34 0.00 0.00 72.50 73.60 2knf s THR 15 CO -0.05 -0.17 0.35 0.35 -0.54 0.00 0.00 174.62 174.56 2knf n THR 16 N 1.55 0.00 0.29 3.99 -2.24 0.92 -3.90 114.28 114.89 2knf n THR 16 Ca -0.19 -0.20 0.15 0.00 -2.27 0.00 0.00 64.05 61.53 2knf n THR 16 Cb 0.56 -1.41 0.70 0.00 -2.10 0.00 0.00 70.33 68.08 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 -1.58 0.00 0.00 2.28 -1.51 -0.05 -0.56 116.25 114.83 2knf h VAL 17 Ca -0.12 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 2knf h VAL 17 Cb 0.36 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.45 2knf h VAL 17 CO 0.08 0.00 -0.98 0.35 -1.23 0.00 0.00 177.57 175.80 2knf n THR 18 N -2.57 0.14 -0.65 7.19 -2.24 -1.26 -4.93 114.28 109.96 2knf n THR 18 Ca -0.00 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2knf n THR 18 Cb 0.16 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 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 1.39 0.64 3.66 3.38 0.00 -0.22 -5.04 105.19 109.00 2knf n GLY 19 Ca 0.02 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 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 4.31 0.06 2.61 2.01 -1.26 -4.65 115.64 116.71 2knf s THR 20 Ca 0.00 1.57 -0.37 0.00 0.31 0.00 0.00 61.69 63.20 2knf s THR 20 Cb 0.00 -4.05 -0.17 0.00 0.01 0.00 0.00 72.50 68.30 2knf s THR 20 CO 0.00 -0.17 1.37 -2.65 -0.69 0.00 0.00 174.62 172.48 2knf n PRO 21 N 6.65 1.14 -2.24 4.92 -0.02 -1.26 -0.06 135.00 144.13 2knf n PRO 21 Ca 0.14 0.41 -0.41 0.00 -2.02 0.00 0.00 63.50 61.62 2knf n PRO 21 Cb 0.45 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 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 -0.21 0.73 -0.05 0.00 0.74 0.38 -4.75 119.66 116.50 2knf s GLN 23 Ca 0.56 0.80 -0.30 0.00 0.05 0.00 0.00 55.36 56.47 2knf s GLN 23 Cb -0.36 -1.75 -0.03 0.00 1.10 0.00 0.00 33.01 31.97 2knf s GLN 23 CO 0.39 -2.60 1.17 -0.51 -0.55 0.00 0.00 175.29 173.19 2knf s ASP 24 N -3.25 7.09 0.50 6.67 1.11 -1.26 -4.37 116.67 123.16 2knf s ASP 24 Ca 0.65 1.79 0.23 0.00 0.18 0.00 0.00 52.55 55.40 2knf s ASP 24 Cb -0.19 -2.56 1.30 0.00 1.07 0.00 0.00 42.92 42.54 2knf s ASP 24 CO 0.58 -0.54 1.98 -0.50 1.18 0.00 0.00 175.17 177.87 2knf h TRP 25 N 7.31 0.12 0.00 4.23 4.06 -1.08 0.25 115.95 130.85 2knf h TRP 25 Ca -0.35 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.59 2knf h TRP 25 Cb 1.17 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 29.29 2knf h TRP 25 CO 0.72 0.05 -0.08 0.00 -3.56 0.00 0.00 178.44 175.57 2knf h ALA 26 N 1.72 0.97 -3.01 1.49 0.00 -1.86 -3.36 119.26 115.20 2knf h ALA 26 Ca 0.28 -0.07 -0.62 0.00 0.00 0.00 0.00 54.91 54.49 2knf h ALA 26 Cb 0.94 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 2knf h ALA 26 CO -0.03 0.10 -0.55 0.00 0.00 0.00 0.00 179.25 178.77 2knf s ALA 27 N -3.37 3.76 -0.52 0.00 0.00 0.87 -4.97 121.76 117.54 2knf s ALA 27 Ca 0.04 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.06 2knf s ALA 27 Cb 0.07 -1.60 0.54 0.00 0.00 0.00 0.00 23.12 22.13 2knf s ALA 27 CO 0.64 0.75 1.86 1.04 0.00 0.00 0.00 175.76 180.05 2knf n GLN 28 N 0.28 2.51 -3.66 0.00 1.13 -1.26 -4.62 117.38 111.77 2knf n GLN 28 Ca -0.07 -3.26 -0.15 0.00 -1.94 0.00 0.00 57.00 51.58 2knf n GLN 28 Cb 0.52 -2.20 -0.14 0.00 0.11 0.00 0.00 30.24 28.53 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 -3.56 0.10 -0.23 -1.09 2.02 -1.26 -1.78 118.70 112.90 2knf s GLU 29 Ca 0.59 0.65 0.01 0.00 0.02 0.00 0.00 54.97 56.24 2knf s GLU 29 Cb 0.48 -0.18 0.29 0.00 0.10 0.00 0.00 34.13 34.82 2knf s GLU 29 CO 0.04 -0.31 1.56 -0.35 0.02 0.00 0.00 175.26 176.21 2knf n PRO 30 N 5.34 1.63 -3.81 0.39 -0.04 -1.26 -4.63 135.00 132.62 2knf n PRO 30 Ca -0.05 -1.45 -0.29 0.00 -0.04 0.00 0.00 63.50 61.67 2knf n PRO 30 Cb 0.50 -1.57 -0.16 0.00 -0.04 0.00 0.00 33.50 32.23 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 -1.61 1.65 -0.07 0.54 3.76 -1.07 -5.03 115.29 113.46 2knf s HIS 31 Ca 0.28 -1.35 -0.30 0.00 -0.15 0.00 0.00 55.06 53.54 2knf s HIS 31 Cb 0.23 -1.37 -0.04 0.00 1.11 0.00 0.00 32.58 32.52 2knf s HIS 31 CO 0.04 -0.72 1.33 -0.98 -0.85 0.00 0.00 174.74 173.56 2knf s ARG 32 N 1.64 4.28 -0.34 1.40 3.03 -0.73 -4.11 118.95 124.12 2knf s ARG 32 Ca -0.00 1.82 0.03 0.00 2.03 0.00 0.00 55.73 59.61 2knf s ARG 32 Cb -0.18 -3.67 0.16 0.00 -1.03 0.00 0.00 34.95 30.23 2knf s ARG 32 CO -0.10 -0.61 0.43 -3.38 -1.13 0.00 0.00 175.30 170.51 2knf s HIS 33 N 2.86 -0.84 -0.04 5.89 -3.43 -1.26 -4.98 115.29 113.50 2knf s HIS 33 Ca 0.60 -0.15 0.00 0.00 -0.80 0.00 0.00 55.06 54.70 2knf s HIS 33 Cb -0.27 -0.19 0.00 0.00 -1.43 0.00 0.00 32.58 30.70 2knf s HIS 33 CO 0.22 -1.01 0.75 0.43 -2.00 0.00 0.00 174.74 173.13 2knf n SER 34 N 4.76 2.23 -3.95 7.38 7.64 -1.26 -4.71 113.62 125.71 2knf n SER 34 Ca 0.06 -1.52 -0.09 0.00 1.01 0.00 0.00 58.87 58.33 2knf n SER 34 Cb 0.49 -0.38 -0.10 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.19 0.11 -1.41 0.44 -4.36 -1.26 -4.82 121.20 110.09 2knf s ILE 35 Ca 0.00 -0.92 -0.04 0.00 -0.26 0.00 0.00 60.65 59.43 2knf s ILE 35 Cb 0.00 -0.44 0.03 0.00 1.25 0.00 0.00 42.46 43.30 2knf s ILE 35 CO 0.00 -0.51 0.69 0.49 0.24 0.00 0.00 174.94 175.85 2knf n PHE 36 N 1.40 -1.91 -2.97 1.37 3.72 -1.26 -5.01 117.46 112.79 2knf n PHE 36 Ca -0.23 0.83 -0.18 0.00 -0.05 0.00 0.00 57.45 57.82 2knf n PHE 36 Cb 0.56 -4.03 0.02 0.00 -0.94 0.00 0.00 39.48 35.09 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 -3.64 2.88 0.09 4.37 -4.23 -1.26 -4.71 115.64 109.14 2knf s THR 37 Ca 0.20 -0.96 0.31 0.00 -1.18 0.00 0.00 61.69 60.06 2knf s THR 37 Cb -0.10 -2.91 0.32 0.00 1.34 0.00 0.00 72.50 71.15 2knf s THR 37 CO 0.85 0.00 1.95 -0.65 -0.54 0.00 0.00 174.62 176.23 2knf h PRO 38 N 0.53 0.00 0.00 3.99 0.11 -1.78 -1.71 132.00 133.14 2knf h PRO 38 Ca -0.39 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 2knf h PRO 38 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 2knf h PRO 38 CO 0.45 0.00 -1.87 0.39 -0.21 0.00 0.00 178.00 176.76 2knf n GLU 39 N -2.65 0.59 0.00 1.05 1.02 -1.26 -3.34 120.64 116.06 2knf n GLU 39 Ca -0.01 -0.16 0.11 0.00 -0.02 0.00 0.00 57.16 57.07 2knf n GLU 39 Cb 0.12 -1.45 -0.11 0.00 -0.02 0.00 0.00 31.44 29.98 2knf n GLU 39 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2knf n THR 40 N -2.18 0.05 -2.89 2.62 -2.24 -1.14 -4.53 114.28 103.98 2knf n THR 40 Ca -0.05 -0.28 -0.16 0.00 -2.27 0.00 0.00 64.05 61.29 2knf n THR 40 Cb 0.52 0.37 -0.00 0.00 -2.10 0.00 0.00 70.33 69.11 2knf n THR 40 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2knf n ASN 41 N -1.95 1.86 -1.48 3.42 4.13 -0.66 -4.85 115.26 115.73 2knf n ASN 41 Ca 0.00 -3.04 0.00 0.00 1.68 0.00 0.00 54.58 53.22 2knf n ASN 41 Cb 0.46 -0.56 0.00 0.00 -1.54 0.00 0.00 39.78 38.14 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 0.01 0.56 0.00 3.52 -0.02 -1.21 -2.14 135.00 135.71 2knf n PRO 42 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2knf n PRO 42 Cb 0.69 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 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 1.38 1.82 -0.25 -0.52 0.00 -1.26 -4.80 116.66 113.03 2knf n ARG 43 Ca 0.00 -0.00 0.06 0.00 -0.00 0.00 0.00 57.85 57.91 2knf n ARG 43 Cb 0.28 -0.13 0.18 0.00 -0.00 0.00 0.00 32.46 32.79 2knf n ARG 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2knf n ALA 44 N -0.26 2.40 -3.52 2.89 0.00 -0.91 -4.98 120.51 116.12 2knf n ALA 44 Ca 0.00 -1.45 -0.21 0.00 0.00 0.00 0.00 53.44 51.78 2knf n ALA 44 Cb 0.00 -0.52 0.08 0.00 0.00 0.00 0.00 19.45 19.02 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 0.27 -0.46 3.61 0.00 0.00 -1.26 -4.71 105.19 102.64 2knf n GLY 45 Ca 0.14 0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.92 2knf n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2knf s LEU 46 N -6.89 3.74 -0.05 0.99 1.02 -1.26 -5.00 118.68 111.22 2knf s LEU 46 Ca 0.35 0.59 0.05 0.00 0.02 0.00 0.00 54.13 55.14 2knf s LEU 46 Cb -0.15 -3.52 -0.00 0.00 0.02 0.00 0.00 46.19 42.54 2knf s LEU 46 CO 0.72 -1.14 -0.19 -1.83 0.02 0.00 0.00 176.35 173.94 2knf s GLU 47 N 4.19 2.03 2.96 1.70 -1.05 -1.26 -4.26 118.70 123.00 2knf s GLU 47 Ca 0.46 -0.68 0.00 0.00 -0.15 0.00 0.00 54.97 54.61 2knf s GLU 47 Cb -0.09 -1.72 0.00 0.00 -0.44 0.00 0.00 34.13 31.88 2knf s GLU 47 CO 0.27 0.25 0.00 1.63 0.95 0.00 0.00 175.26 178.36 2knf n LYS 48 N 3.17 0.00 -0.17 -4.83 4.76 -1.26 -1.80 118.16 118.02 2knf n LYS 48 Ca -0.18 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.26 2knf n LYS 48 Cb 0.53 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.72 2knf n LYS 48 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2knf n ASN 49 N 7.66 0.31 -4.72 4.39 6.94 -1.26 -0.51 115.26 128.07 2knf n ASN 49 Ca 0.00 -1.55 -0.42 0.00 -0.02 0.00 0.00 54.58 52.59 2knf n ASN 49 Cb 0.00 -0.09 -0.03 0.00 -2.36 0.00 0.00 39.78 37.30 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 -0.25 3.17 0.60 -2.53 2.02 -0.75 -4.58 117.35 115.03 2knf s TYR 50 Ca 0.02 0.90 -0.18 0.00 -0.37 0.00 0.00 57.07 57.43 2knf s TYR 50 Cb 0.02 -3.76 -0.05 0.00 -0.40 0.00 0.00 41.96 37.76 2knf s TYR 50 CO 0.00 -2.66 0.89 0.00 -1.57 0.00 0.00 175.55 172.21 2knf s ARG 52 N -2.65 1.39 -0.59 0.00 1.81 -0.49 -4.68 118.95 113.74 2knf s ARG 52 Ca 0.75 -0.99 0.05 0.00 -1.72 0.00 0.00 55.73 53.82 2knf s ARG 52 Cb -0.42 0.49 0.17 0.00 -0.45 0.00 0.00 34.95 34.75 2knf s ARG 52 CO 0.48 -0.58 0.45 -1.71 -0.68 0.00 0.00 175.30 173.26 2knf n ASN 53 N -0.33 1.69 -0.13 0.23 2.85 -1.05 -0.55 115.26 117.97 2knf n ASN 53 Ca -0.08 -2.90 0.04 0.00 -0.11 0.00 0.00 54.58 51.53 2knf n ASN 53 Cb 0.62 -0.68 0.35 0.00 1.24 0.00 0.00 39.78 41.32 2knf n ASN 53 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2knf h PRO 54 N 5.40 0.73 0.00 1.20 0.11 -1.87 -2.20 132.00 135.38 2knf h PRO 54 Ca 0.19 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2knf h PRO 54 Cb 0.81 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.75 2knf h PRO 54 CO 0.59 0.49 -1.00 -0.25 -0.21 0.00 0.00 178.00 177.62 2knf n ASP 55 N -4.46 0.68 -3.13 -2.05 9.92 -1.26 -4.93 116.55 111.33 2knf n ASP 55 Ca 0.08 0.10 -0.16 0.00 -0.53 0.00 0.00 54.79 54.28 2knf n ASP 55 Cb 0.12 0.59 0.08 0.00 -0.64 0.00 0.00 41.12 41.28 2knf n ASP 55 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2knf n GLY 56 N 1.28 -0.28 3.61 0.44 0.00 -0.83 -4.92 105.19 104.49 2knf n GLY 56 Ca 0.01 0.05 -0.49 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.75 1.90 0.00 1.61 -0.08 -1.26 -4.80 116.55 111.16 2knf n ASP 57 Ca -0.19 1.12 0.02 0.00 -1.51 0.00 0.00 54.79 54.23 2knf n ASP 57 Cb 0.63 -1.26 0.11 0.00 2.34 0.00 0.00 41.12 42.93 2knf n ASP 57 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2knf n VAL 58 N 2.26 0.00 0.09 5.18 0.31 -1.26 -1.54 118.33 123.37 2knf n VAL 58 Ca 0.16 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.60 2knf n VAL 58 Cb 0.24 -0.22 -0.16 0.00 -0.91 0.00 0.00 33.84 32.79 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 0.25 -0.97 0.00 2.92 0.00 -1.26 -4.97 105.19 101.16 2knf n GLY 59 Ca 0.03 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 1.32 1.04 3.80 -0.02 0.00 -0.59 -5.06 105.19 105.68 2knf n GLY 60 Ca -0.03 -2.13 -0.32 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.04 3.09 0.10 1.61 0.04 -0.54 -4.51 135.00 133.74 2knf s PRO 61 Ca 0.00 1.13 0.01 0.00 0.04 0.00 0.00 61.00 62.18 2knf s PRO 61 Cb 0.00 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.53 2knf s PRO 61 CO 0.00 -0.99 0.11 -2.67 0.04 0.00 0.00 177.00 173.49 2knf n TRP 62 N -2.51 -0.51 -3.86 0.56 4.27 0.29 -0.96 117.44 114.71 2knf n TRP 62 Ca 0.08 -0.73 -0.03 0.00 -3.89 0.00 0.00 57.50 52.94 2knf n TRP 62 Cb 0.53 0.13 0.02 0.00 -1.36 0.00 0.00 31.31 30.63 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 -2.43 3.52 0.00 0.00 2.02 -1.26 -1.70 117.35 117.50 2knf s TYR 64 Ca 0.21 0.37 -0.01 0.00 -0.37 0.00 0.00 57.07 57.27 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 0.05 0.65 0.12 0.95 -1.57 0.00 0.00 175.55 175.75 2knf s THR 65 N -1.24 4.96 -0.24 -0.71 -4.23 -0.26 0.15 115.64 114.06 2knf s THR 65 Ca 0.24 -0.36 0.01 0.00 -1.18 0.00 0.00 61.69 60.39 2knf s THR 65 Cb -0.12 -3.30 0.07 0.00 1.34 0.00 0.00 72.50 70.48 2knf s THR 65 CO 0.15 0.31 0.98 0.35 -0.54 0.00 0.00 174.62 175.87 2knf n THR 66 N 1.01 0.99 -3.66 3.99 -2.24 -0.56 -4.60 114.28 109.21 2knf n THR 66 Ca -0.12 -0.17 -0.37 0.00 -2.27 0.00 0.00 64.05 61.12 2knf n THR 66 Cb 0.52 -0.84 -0.11 0.00 -2.10 0.00 0.00 70.33 67.80 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 0.59 5.73 0.00 3.42 3.84 -1.26 -4.89 114.94 122.36 2knf s ASN 67 Ca 0.05 -0.06 0.09 0.00 0.21 0.00 0.00 52.86 53.15 2knf s ASN 67 Cb 0.04 -2.05 0.55 0.00 -0.55 0.00 0.00 41.25 39.24 2knf s ASN 67 CO 0.01 -0.03 0.99 -2.65 -2.79 0.00 0.00 177.10 172.63 2knf n PRO 68 N 4.93 0.29 -0.08 0.43 -0.02 -1.26 -2.71 135.00 136.58 2knf n PRO 68 Ca -0.15 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.21 2knf n PRO 68 Cb 0.52 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.42 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 0.00 -5.21 -0.52 2.47 -1.96 -3.48 114.38 105.68 2knf h ARG 69 Ca 0.00 0.00 -0.39 0.00 -1.26 0.00 0.00 59.98 58.33 2knf h ARG 69 Cb 0.00 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 28.10 2knf h ARG 69 CO 0.00 0.66 -0.77 -1.59 0.56 0.00 0.00 179.97 178.83 2knf s LYS 70 N -2.13 0.77 0.05 0.04 0.00 -1.10 -5.06 119.74 112.31 2knf s LYS 70 Ca -0.17 -0.91 -0.20 0.00 0.00 0.00 0.00 55.97 54.69 2knf s LYS 70 Cb 0.01 -0.74 -0.14 0.00 0.00 0.00 0.00 37.83 36.96 2knf s LYS 70 CO 0.46 0.16 1.35 1.25 0.00 0.00 0.00 175.35 178.57 2knf h LEU 71 N 4.36 0.43 -8.18 2.77 5.85 -1.89 -3.40 115.31 115.25 2knf h LEU 71 Ca -0.40 -0.49 -0.13 0.00 0.84 0.00 0.00 57.88 57.71 2knf h LEU 71 Cb 1.19 -0.12 -0.14 0.00 0.37 0.00 0.00 40.66 41.96 2knf h LEU 71 CO 0.40 0.83 -0.55 -0.72 -0.34 0.00 0.00 178.44 178.06 2knf s TYR 72 N -4.29 0.52 0.31 1.25 1.13 -1.26 -1.10 117.35 113.91 2knf s TYR 72 Ca -0.14 -0.97 -0.09 0.00 -1.41 0.00 0.00 57.07 54.46 2knf s TYR 72 Cb 0.06 -0.29 0.04 0.00 -1.10 0.00 0.00 41.96 40.66 2knf s TYR 72 CO 0.76 -0.51 0.57 -3.47 -2.51 0.00 0.00 175.55 170.40 2knf n ASP 73 N -0.03 -1.66 -4.94 -0.18 2.03 -0.69 -4.85 116.55 106.24 2knf n ASP 73 Ca -0.11 -2.36 -0.26 0.00 0.52 0.00 0.00 54.79 52.58 2knf n ASP 73 Cb 0.62 2.82 -0.03 0.00 -0.72 0.00 0.00 41.12 43.82 2knf n ASP 73 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2knf s TYR 74 N -3.44 3.48 0.48 -0.67 1.51 -1.26 -1.36 117.35 116.10 2knf s TYR 74 Ca 0.16 0.23 0.08 0.00 -1.01 0.00 0.00 57.07 56.53 2knf s TYR 74 Cb -0.03 -1.77 0.03 0.00 -0.11 0.00 0.00 41.96 40.08 2knf s TYR 74 CO 0.12 0.41 0.54 0.00 -1.11 0.00 0.00 175.55 175.51 2knf n ASP 76 N -1.85 3.71 -4.51 0.00 2.03 -1.25 -4.53 116.55 110.15 2knf n ASP 76 Ca 0.07 -3.42 -0.34 0.00 0.52 0.00 0.00 54.79 51.63 2knf n ASP 76 Cb 0.61 -0.69 -0.12 0.00 -0.72 0.00 0.00 41.12 40.20 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 -2.35 3.98 0.75 5.18 0.11 -1.26 -5.05 120.40 121.76 2knf s VAL 77 Ca 0.38 -0.33 -0.15 0.00 -2.93 0.00 0.00 61.98 58.95 2knf s VAL 77 Cb 0.12 -2.75 0.04 0.00 -1.53 0.00 0.00 36.38 32.26 2knf s VAL 77 CO -0.03 0.49 1.15 -0.81 -3.33 0.00 0.00 175.10 172.57 2knf n PRO 78 N 3.52 0.47 -2.40 1.54 -0.04 -1.26 -4.55 135.00 132.28 2knf n PRO 78 Ca -0.17 0.23 -0.43 0.00 -0.04 0.00 0.00 63.50 63.08 2knf n PRO 78 Cb 0.52 -2.39 -0.02 0.00 -0.04 0.00 0.00 33.50 31.57 2knf n PRO 78 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2knf s GLN 79 N -3.73 3.75 0.07 0.54 2.00 -1.26 -0.34 119.66 120.69 2knf s GLN 79 Ca 0.75 1.08 -0.15 0.00 -2.00 0.00 0.00 55.36 55.05 2knf s GLN 79 Cb -0.32 -3.95 -0.22 0.00 0.80 0.00 0.00 33.01 29.32 2knf s GLN 79 CO 0.49 -1.33 1.19 0.00 -0.50 0.00 0.00 175.29 175.14 2knf n ALA 81 N -2.63 7.27 -0.75 0.00 0.00 -1.03 -4.99 120.51 118.38 2knf n ALA 81 Ca -0.10 -3.66 0.00 0.00 0.00 0.00 0.00 53.44 49.67 2knf n ALA 81 Cb 0.82 -3.12 0.00 0.00 0.00 0.00 0.00 19.45 17.15 2knf n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50