#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 0.45 -0.90 6.43 5.15 -1.26 -4.88 115.26 120.26 2knf n ASN -3 Ca 0.00 0.56 -0.12 0.00 -0.60 0.00 0.00 54.58 54.42 2knf n ASN -3 Cb 0.00 -0.67 -0.05 0.00 -0.53 0.00 0.00 39.78 38.53 2knf n ASN -3 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2knf n ALA -2 N -1.66 -0.18 -1.79 5.20 0.00 -1.26 -4.90 120.51 115.92 2knf n ALA -2 Ca 0.05 0.19 -0.39 0.00 0.00 0.00 0.00 53.44 53.29 2knf n ALA -2 Cb 0.35 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.02 8.13 -3.53 0.00 2.03 -1.26 -3.28 116.55 118.62 2knf n ASP -1 Ca -0.12 -3.00 -0.13 0.00 0.52 0.00 0.00 54.79 52.07 2knf n ASP -1 Cb 0.40 -1.40 -0.04 0.00 -0.72 0.00 0.00 41.12 39.35 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 -3.04 3.50 -0.41 0.00 0.23 0.25 -4.12 119.30 115.70 2knf s MET 2 Ca -0.02 -0.40 -0.06 0.00 -1.03 0.00 0.00 55.69 54.18 2knf s MET 2 Cb -0.00 -2.87 0.10 0.00 -1.53 0.00 0.00 34.83 30.53 2knf s MET 2 CO -0.07 0.43 0.23 -0.06 -2.03 0.00 0.00 175.02 173.52 2knf s PHE 3 N -1.84 3.47 0.00 3.16 0.40 -1.26 0.16 117.98 122.07 2knf s PHE 3 Ca 0.37 -2.06 0.00 0.00 -0.60 0.00 0.00 56.93 54.65 2knf s PHE 3 Cb -0.11 -3.12 0.00 0.00 0.51 0.00 0.00 43.02 40.30 2knf s PHE 3 CO 0.29 -0.93 0.00 0.41 0.70 0.00 0.00 175.22 175.68 2knf n GLY 4 N 4.74 2.07 0.14 4.36 0.00 -1.26 -3.13 105.19 112.12 2knf n GLY 4 Ca -0.06 -0.30 0.03 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.47 115.58 114.16 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 0.48 0.00 0.61 -1.65 0.00 0.00 177.43 176.87 2knf n GLY 6 N 1.19 1.25 0.13 2.83 0.00 -1.18 -2.10 105.19 107.31 2knf n GLY 6 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 0.96 0.35 -0.88 1.61 1.57 -1.75 -2.53 116.57 115.90 2knf h LYS 7 Ca 0.00 -0.09 -0.41 0.00 -1.87 0.00 0.00 60.65 58.29 2knf h LYS 7 Cb 0.00 -0.05 -0.24 0.00 0.08 0.00 0.00 32.23 32.02 2knf h LYS 7 CO 0.00 0.48 0.49 0.41 -0.57 0.00 0.00 179.45 180.26 2knf n GLY 8 N -0.51 4.29 3.56 3.86 0.00 -1.26 -4.78 105.19 110.34 2knf n GLY 8 Ca -0.04 -1.07 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 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 -3.21 1.76 -0.42 1.61 5.04 -0.98 -4.53 117.35 116.63 2knf s TYR 9 Ca 0.56 0.71 0.05 0.00 -2.44 0.00 0.00 57.07 55.95 2knf s TYR 9 Cb 0.46 -4.14 0.56 0.00 0.35 0.00 0.00 41.96 39.20 2knf s TYR 9 CO 0.11 -2.36 1.73 0.54 -1.34 0.00 0.00 175.55 174.23 2knf n ARG 10 N 9.02 2.26 0.00 4.97 5.12 -1.26 -4.86 116.66 131.91 2knf n ARG 10 Ca 0.19 -3.20 0.00 0.00 -1.93 0.00 0.00 57.85 52.91 2knf n ARG 10 Cb 0.51 -2.07 0.00 0.00 -1.16 0.00 0.00 32.46 29.73 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 -1.08 0.48 0.85 -0.13 0.00 -1.20 -4.77 105.19 99.33 2knf n GLY 11 Ca 0.50 -1.64 -0.01 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.35 1.61 0.00 -1.26 -4.85 118.16 111.30 2knf n LYS 12 Ca 0.00 -0.95 -0.41 0.00 -0.00 0.00 0.00 58.31 56.96 2knf n LYS 12 Cb 0.00 -0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 34.99 2knf n LYS 12 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2knf s ARG 13 N 0.00 4.52 -0.21 -1.58 1.81 -1.26 -4.87 118.95 117.35 2knf s ARG 13 Ca 0.08 1.93 0.22 0.00 -1.72 0.00 0.00 55.73 56.23 2knf s ARG 13 Cb 0.09 -3.18 0.49 0.00 -0.45 0.00 0.00 34.95 31.89 2knf s ARG 13 CO -0.04 -0.00 1.13 1.33 -0.68 0.00 0.00 175.30 177.04 2knf n VAL 14 N 1.69 1.15 -3.74 3.52 0.24 -1.26 0.22 118.33 120.14 2knf n VAL 14 Ca 0.02 -2.67 -0.13 0.00 -2.04 0.00 0.00 64.34 59.51 2knf n VAL 14 Cb 0.44 1.06 -0.10 0.00 -1.47 0.00 0.00 33.84 33.77 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 -3.17 0.02 0.68 3.34 -4.23 -1.26 -1.09 115.64 109.93 2knf s THR 15 Ca 0.30 -0.18 -0.12 0.00 -1.18 0.00 0.00 61.69 60.52 2knf s THR 15 Cb 0.34 -0.57 0.16 0.00 1.34 0.00 0.00 72.50 73.77 2knf s THR 15 CO -0.06 -0.10 0.77 0.35 -0.54 0.00 0.00 174.62 175.04 2knf n THR 16 N 2.21 0.00 0.29 3.99 -2.24 0.65 -3.87 114.28 115.32 2knf n THR 16 Ca -0.16 -0.48 0.14 0.00 -2.27 0.00 0.00 64.05 61.27 2knf n THR 16 Cb 0.57 -1.45 0.63 0.00 -2.10 0.00 0.00 70.33 67.98 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 -1.83 0.00 0.00 2.28 -1.51 0.49 0.01 116.25 115.68 2knf h VAL 17 Ca -0.26 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 2knf h VAL 17 Cb 0.76 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 2knf h VAL 17 CO 0.18 0.00 -1.03 0.35 -1.23 0.00 0.00 177.57 175.84 2knf n THR 18 N -2.45 0.23 -0.50 7.19 -2.24 -1.26 -4.93 114.28 110.32 2knf n THR 18 Ca 0.00 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2knf n THR 18 Cb 0.15 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 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 1.34 0.75 3.66 3.38 0.00 -0.01 -5.04 105.19 109.26 2knf n GLY 19 Ca 0.02 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 4.48 -0.07 2.61 2.01 -1.26 -4.63 115.64 116.78 2knf s THR 20 Ca 0.00 1.79 -0.37 0.00 0.31 0.00 0.00 61.69 63.43 2knf s THR 20 Cb 0.00 -4.16 -0.14 0.00 0.01 0.00 0.00 72.50 68.21 2knf s THR 20 CO 0.00 -0.14 1.67 -2.65 -0.69 0.00 0.00 174.62 172.81 2knf n PRO 21 N 6.29 1.61 -1.90 4.92 -0.02 -1.26 -0.25 135.00 144.39 2knf n PRO 21 Ca 0.13 0.59 -0.40 0.00 -2.02 0.00 0.00 63.50 61.79 2knf n PRO 21 Cb 0.46 -2.32 -0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 -2.13 1.79 -0.10 0.00 0.74 0.39 -4.64 119.66 115.70 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 -1.88 -0.02 0.00 1.10 0.00 0.00 33.01 31.78 2knf s GLN 23 CO 0.58 -1.84 1.12 -0.51 -0.55 0.00 0.00 175.29 174.08 2knf s ASP 24 N -3.74 7.12 0.50 6.67 1.11 -1.26 -4.39 116.67 122.67 2knf s ASP 24 Ca 0.62 1.65 0.23 0.00 0.18 0.00 0.00 52.55 55.23 2knf s ASP 24 Cb -0.16 -2.55 1.29 0.00 1.07 0.00 0.00 42.92 42.57 2knf s ASP 24 CO 0.55 -0.55 1.96 -0.50 1.18 0.00 0.00 175.17 177.81 2knf h TRP 25 N 7.38 0.16 0.00 4.23 4.06 -1.26 0.45 115.95 130.98 2knf h TRP 25 Ca -0.31 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.65 2knf h TRP 25 Cb 1.14 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 29.25 2knf h TRP 25 CO 0.73 0.06 0.00 0.00 -3.56 0.00 0.00 178.44 175.67 2knf n ALA 26 N -2.61 2.24 -2.65 1.49 0.00 -1.26 -4.32 120.51 113.40 2knf n ALA 26 Ca 0.12 -0.10 -0.31 0.00 0.00 0.00 0.00 53.44 53.15 2knf n ALA 26 Cb 0.61 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.54 2knf n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2knf s ALA 27 N -2.93 3.18 -0.46 0.00 0.00 0.16 -4.97 121.76 116.73 2knf s ALA 27 Ca 0.15 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 51.07 2knf s ALA 27 Cb 0.18 -1.17 0.61 0.00 0.00 0.00 0.00 23.12 22.73 2knf s ALA 27 CO 0.47 0.66 1.86 1.04 0.00 0.00 0.00 175.76 179.80 2knf n GLN 28 N 1.01 2.30 -3.68 0.00 1.13 -1.26 -4.66 117.38 112.21 2knf n GLN 28 Ca -0.13 -3.11 -0.13 0.00 -1.94 0.00 0.00 57.00 51.68 2knf n GLN 28 Cb 0.52 -2.15 -0.13 0.00 0.11 0.00 0.00 30.24 28.59 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 -3.39 0.15 -0.13 -1.09 2.02 -1.26 -1.48 118.70 113.52 2knf s GLU 29 Ca 0.57 0.69 0.02 0.00 0.02 0.00 0.00 54.97 56.26 2knf s GLU 29 Cb 0.47 -0.07 0.24 0.00 0.10 0.00 0.00 34.13 34.87 2knf s GLU 29 CO 0.07 -0.26 1.18 -0.35 0.02 0.00 0.00 175.26 175.92 2knf n PRO 30 N 5.10 1.70 -3.92 0.39 -0.05 -1.26 -4.66 135.00 132.29 2knf n PRO 30 Ca -0.10 -1.01 -0.30 0.00 -0.05 0.00 0.00 63.50 62.04 2knf n PRO 30 Cb 0.50 -1.51 -0.16 0.00 -0.05 0.00 0.00 33.50 32.29 2knf n PRO 30 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 175.50 174.44 2knf s HIS 31 N -1.25 2.27 -0.29 0.54 3.76 -1.02 -5.00 115.29 114.31 2knf s HIS 31 Ca 0.19 -1.69 -0.29 0.00 -0.15 0.00 0.00 55.06 53.12 2knf s HIS 31 Cb 0.15 -1.54 -0.01 0.00 1.11 0.00 0.00 32.58 32.29 2knf s HIS 31 CO 0.04 -0.76 1.48 0.50 -0.85 0.00 0.00 174.74 175.15 2knf s ARG 32 N 1.44 3.76 -0.35 1.40 6.06 -0.55 -4.09 118.95 126.61 2knf s ARG 32 Ca -0.05 1.35 0.01 0.00 -2.50 0.00 0.00 55.73 54.54 2knf s ARG 32 Cb -0.19 -3.99 0.14 0.00 0.06 0.00 0.00 34.95 30.98 2knf s ARG 32 CO -0.07 -1.33 0.28 -3.38 -2.50 0.00 0.00 175.30 168.31 2knf s HIS 33 N 5.08 0.20 0.00 5.12 -3.43 -1.26 -4.97 115.29 116.03 2knf s HIS 33 Ca 0.65 -1.18 0.00 0.00 -0.80 0.00 0.00 55.06 53.73 2knf s HIS 33 Cb -0.20 -0.66 0.00 0.00 -1.43 0.00 0.00 32.58 30.29 2knf s HIS 33 CO 0.28 -0.90 1.16 0.43 -2.00 0.00 0.00 174.74 173.71 2knf n SER 34 N 4.24 3.23 -3.84 7.38 7.64 -1.26 -4.64 113.62 126.37 2knf n SER 34 Ca 0.10 -1.82 -0.12 0.00 1.01 0.00 0.00 58.87 58.04 2knf n SER 34 Cb 0.41 -0.63 -0.12 0.00 -1.01 0.00 0.00 64.21 62.86 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 0.33 0.02 -1.34 0.44 -4.36 -1.26 -4.83 121.20 110.20 2knf s ILE 35 Ca 0.00 -0.16 -0.05 0.00 -0.26 0.00 0.00 60.65 60.18 2knf s ILE 35 Cb 0.00 -0.24 0.02 0.00 1.25 0.00 0.00 42.46 43.49 2knf s ILE 35 CO 0.00 -0.09 0.97 0.49 0.24 0.00 0.00 174.94 176.55 2knf n PHE 36 N 2.68 -2.33 -3.34 1.37 3.72 -1.26 -5.02 117.46 113.28 2knf n PHE 36 Ca -0.15 0.93 -0.20 0.00 -0.05 0.00 0.00 57.45 57.98 2knf n PHE 36 Cb 0.58 -4.66 0.01 0.00 -0.94 0.00 0.00 39.48 34.47 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 -3.42 2.46 0.63 4.37 -4.23 -1.26 -4.79 115.64 109.41 2knf s THR 37 Ca 0.30 -1.19 0.37 0.00 -1.18 0.00 0.00 61.69 59.99 2knf s THR 37 Cb -0.14 -2.65 0.40 0.00 1.34 0.00 0.00 72.50 71.45 2knf s THR 37 CO 0.77 0.00 2.29 -0.65 -0.54 0.00 0.00 174.62 176.49 2knf h PRO 38 N 0.67 0.00 0.16 3.99 0.11 -1.78 0.19 132.00 135.34 2knf h PRO 38 Ca -0.37 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.39 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 0.50 0.00 -1.78 0.93 -0.21 0.00 0.00 178.00 177.43 2knf h GLU 39 N 0.00 0.34 0.00 1.05 3.07 -1.94 -3.17 114.58 113.93 2knf h GLU 39 Ca 0.01 -0.58 -0.00 0.00 -0.50 0.00 0.00 59.36 58.28 2knf h GLU 39 Cb 0.07 0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 28.20 2knf h GLU 39 CO -0.00 1.25 -1.03 0.25 -1.40 0.00 0.00 179.01 178.08 2knf n THR 40 N -3.53 0.62 -3.19 1.13 -2.24 -1.09 -4.42 114.28 101.56 2knf n THR 40 Ca -0.25 -0.55 -0.22 0.00 -2.27 0.00 0.00 64.05 60.75 2knf n THR 40 Cb 1.07 -0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 68.90 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 -2.67 1.32 -1.13 3.42 4.13 0.65 -4.79 115.26 116.19 2knf n ASN 41 Ca -0.00 -3.01 0.00 0.00 1.68 0.00 0.00 54.58 53.25 2knf n ASN 41 Cb 0.56 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 38.17 2knf n ASN 41 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2knf n PRO 42 N 0.74 0.98 0.00 3.52 -0.04 -1.20 -3.17 135.00 135.82 2knf n PRO 42 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2knf n PRO 42 Cb 0.55 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 2knf n PRO 42 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2knf n ARG 43 N 0.77 2.06 -0.05 0.54 1.85 -1.26 -4.74 116.66 115.84 2knf n ARG 43 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.87 2knf n ARG 43 Cb 0.49 -0.85 0.05 0.00 -1.05 0.00 0.00 32.46 31.10 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 -1.33 2.09 -3.27 2.89 0.00 -1.19 -5.00 120.51 114.69 2knf n ALA 44 Ca 0.00 -1.24 -0.17 0.00 0.00 0.00 0.00 53.44 52.04 2knf n ALA 44 Cb 0.00 -0.14 0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.42 -0.23 3.56 0.00 0.00 -1.26 -4.76 105.19 102.07 2knf n GLY 45 Ca 0.04 0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -5.79 3.40 -0.04 0.99 1.02 -1.26 -4.96 118.68 112.04 2knf s LEU 46 Ca 0.24 -1.18 0.01 0.00 0.02 0.00 0.00 54.13 53.22 2knf s LEU 46 Cb -0.11 -2.57 -0.03 0.00 0.02 0.00 0.00 46.19 43.50 2knf s LEU 46 CO 0.59 -1.80 -0.03 -1.83 0.02 0.00 0.00 176.35 173.30 2knf s GLU 47 N 5.49 2.78 7.36 1.70 -1.05 -1.26 -4.21 118.70 129.51 2knf s GLU 47 Ca 0.50 -0.56 0.00 0.00 -0.15 0.00 0.00 54.97 54.76 2knf s GLU 47 Cb -0.02 -2.65 0.00 0.00 -0.44 0.00 0.00 34.13 31.02 2knf s GLU 47 CO -0.06 0.65 0.00 1.63 0.95 0.00 0.00 175.26 178.44 2knf n LYS 48 N 1.83 0.00 -0.21 -4.83 4.76 -1.26 -2.69 118.16 115.76 2knf n LYS 48 Ca -0.17 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.31 2knf n LYS 48 Cb 0.53 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 33.77 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 7.07 1.08 -4.72 4.39 6.94 -1.26 -0.77 115.26 127.99 2knf n ASN 49 Ca 0.00 -2.22 -0.42 0.00 -0.02 0.00 0.00 54.58 51.92 2knf n ASN 49 Cb 0.00 -0.22 -0.03 0.00 -2.36 0.00 0.00 39.78 37.17 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 -1.13 3.13 0.54 -2.53 2.02 -1.10 -4.59 117.35 113.70 2knf s TYR 50 Ca 0.11 0.85 -0.20 0.00 -0.37 0.00 0.00 57.07 57.46 2knf s TYR 50 Cb 0.10 -3.81 -0.08 0.00 -0.40 0.00 0.00 41.96 37.77 2knf s TYR 50 CO 0.01 -2.84 0.82 0.00 -1.57 0.00 0.00 175.55 171.97 2knf s ARG 52 N -2.32 1.04 -0.71 0.00 1.81 -0.77 -4.79 118.95 113.21 2knf s ARG 52 Ca 0.70 -0.64 0.05 0.00 -1.72 0.00 0.00 55.73 54.12 2knf s ARG 52 Cb -0.47 0.46 0.18 0.00 -0.45 0.00 0.00 34.95 34.67 2knf s ARG 52 CO 0.52 -0.40 0.54 -1.71 -0.68 0.00 0.00 175.30 173.57 2knf n ASN 53 N -0.08 3.18 0.23 0.23 2.85 -1.08 -1.42 115.26 119.17 2knf n ASN 53 Ca -0.17 -3.24 0.15 0.00 -0.11 0.00 0.00 54.58 51.22 2knf n ASN 53 Cb 0.63 -0.76 0.82 0.00 1.24 0.00 0.00 39.78 41.70 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 5.27 0.00 0.00 1.20 0.11 -1.88 -1.21 132.00 135.49 2knf h PRO 54 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2knf h PRO 54 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2knf h PRO 54 CO 0.74 0.00 -1.04 -0.25 -0.21 0.00 0.00 178.00 177.24 2knf n ASP 55 N -3.97 0.83 -3.54 -2.05 9.92 -1.26 -4.85 116.55 111.63 2knf n ASP 55 Ca 0.00 -0.78 -0.21 0.00 -0.53 0.00 0.00 54.79 53.27 2knf n ASP 55 Cb 0.24 1.14 0.08 0.00 -0.64 0.00 0.00 41.12 41.94 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 1.43 -0.44 3.63 0.44 0.00 -0.46 -4.90 105.19 104.90 2knf n GLY 56 Ca 0.02 0.17 -0.47 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.07 2.20 -0.75 1.61 2.03 -1.26 -4.80 116.55 112.52 2knf n ASP 57 Ca -0.16 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.28 2knf n ASP 57 Cb 0.62 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.70 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 2.14 0.39 0.04 5.18 0.31 -1.26 -1.45 118.33 123.69 2knf n VAL 58 Ca 0.15 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.50 2knf n VAL 58 Cb 0.27 -0.64 -0.03 0.00 -0.91 0.00 0.00 33.84 32.53 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 0.35 0.00 0.00 2.92 0.00 -1.26 -5.09 105.19 102.12 2knf n GLY 59 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 2.00 0.88 3.80 -0.02 0.00 -0.53 -5.07 105.19 106.26 2knf n GLY 60 Ca -0.00 -2.26 -0.32 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.97 2.96 0.15 1.61 0.04 -0.89 -4.53 135.00 133.36 2knf s PRO 61 Ca 0.00 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.13 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 -1.09 0.19 -2.67 0.04 0.00 0.00 177.00 173.47 2knf n TRP 62 N -2.79 -0.77 -3.88 0.56 4.27 -0.51 -0.78 117.44 113.55 2knf n TRP 62 Ca 0.08 -1.05 -0.03 0.00 -3.89 0.00 0.00 57.50 52.61 2knf n TRP 62 Cb 0.53 0.22 0.02 0.00 -1.36 0.00 0.00 31.31 30.71 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 -2.23 3.53 0.04 0.00 2.02 -1.26 -1.97 117.35 117.47 2knf s TYR 64 Ca 0.22 0.36 -0.00 0.00 -0.37 0.00 0.00 57.07 57.28 2knf s TYR 64 Cb -0.02 -1.83 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 2knf s TYR 64 CO 0.04 0.65 0.15 0.95 -1.57 0.00 0.00 175.55 175.77 2knf s THR 65 N -1.28 5.10 -1.08 -0.71 -4.23 -0.10 0.15 115.64 113.49 2knf s THR 65 Ca 0.25 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 2knf s THR 65 Cb -0.12 -3.43 0.00 0.00 1.34 0.00 0.00 72.50 70.28 2knf s THR 65 CO 0.17 0.21 0.53 0.35 -0.54 0.00 0.00 174.62 175.34 2knf n THR 66 N 0.62 0.00 -3.58 3.99 -2.24 -0.24 -4.53 114.28 108.30 2knf n THR 66 Ca -0.08 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.31 2knf n THR 66 Cb 0.52 -0.45 -0.11 0.00 -2.10 0.00 0.00 70.33 68.18 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 -0.09 5.99 0.00 3.42 3.84 -1.26 -4.84 114.94 121.99 2knf s ASN 67 Ca 0.00 -0.17 0.09 0.00 0.21 0.00 0.00 52.86 52.98 2knf s ASN 67 Cb 0.00 -2.12 0.52 0.00 -0.55 0.00 0.00 41.25 39.10 2knf s ASN 67 CO 0.00 -0.12 0.94 -2.65 -2.79 0.00 0.00 177.10 172.48 2knf n PRO 68 N 5.07 0.43 0.01 0.43 -0.02 -1.26 -2.45 135.00 137.20 2knf n PRO 68 Ca -0.14 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.14 2knf n PRO 68 Cb 0.51 -1.32 -0.14 0.00 -0.02 0.00 0.00 33.50 32.53 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 0.23 -3.35 -0.52 2.47 -1.96 -3.48 114.38 107.77 2knf h ARG 69 Ca 0.00 -0.40 -0.17 0.00 -1.26 0.00 0.00 59.98 58.15 2knf h ARG 69 Cb 0.00 0.15 -0.25 0.00 -1.65 0.00 0.00 29.97 28.22 2knf h ARG 69 CO 0.00 1.19 -0.50 -1.59 0.56 0.00 0.00 179.97 179.63 2knf s LYS 70 N -2.45 0.28 0.06 0.04 0.00 -1.03 -5.08 119.74 111.56 2knf s LYS 70 Ca -0.19 0.08 -0.18 0.00 0.00 0.00 0.00 55.97 55.68 2knf s LYS 70 Cb 0.03 0.13 -0.13 0.00 0.00 0.00 0.00 37.83 37.86 2knf s LYS 70 CO 0.77 -0.05 1.34 1.25 0.00 0.00 0.00 175.35 178.66 2knf h LEU 71 N 5.45 0.55 -8.04 2.77 5.85 -1.90 -3.41 115.31 116.59 2knf h LEU 71 Ca -0.27 -0.52 -0.11 0.00 0.84 0.00 0.00 57.88 57.83 2knf h LEU 71 Cb 1.20 -0.16 -0.13 0.00 0.37 0.00 0.00 40.66 41.94 2knf h LEU 71 CO 0.40 0.96 -0.36 -0.72 -0.34 0.00 0.00 178.44 178.38 2knf s TYR 72 N -4.16 0.37 0.29 1.25 1.13 -1.26 -0.93 117.35 114.04 2knf s TYR 72 Ca -0.13 -0.75 -0.06 0.00 -1.41 0.00 0.00 57.07 54.71 2knf s TYR 72 Cb 0.06 -0.09 0.03 0.00 -1.10 0.00 0.00 41.96 40.86 2knf s TYR 72 CO 0.79 -0.65 0.49 -0.25 -2.51 0.00 0.00 175.55 173.42 2knf n ASP 73 N -0.16 -1.40 -4.94 -0.18 8.00 -0.83 -4.87 116.55 112.16 2knf n ASP 73 Ca -0.09 -2.36 -0.24 0.00 0.71 0.00 0.00 54.79 52.81 2knf n ASP 73 Cb 0.63 2.45 0.00 0.00 -0.02 0.00 0.00 41.12 44.18 2knf n ASP 73 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2knf s TYR 74 N -3.56 3.37 0.44 1.24 1.51 -1.26 -1.60 117.35 117.49 2knf s TYR 74 Ca 0.18 0.34 0.08 0.00 -1.01 0.00 0.00 57.07 56.65 2knf s TYR 74 Cb -0.02 -2.13 -0.00 0.00 -0.11 0.00 0.00 41.96 39.69 2knf s TYR 74 CO 0.13 -0.15 0.43 0.00 -1.11 0.00 0.00 175.55 174.86 2knf n ASP 76 N -1.66 4.09 -4.47 0.00 2.03 -1.25 -4.59 116.55 110.70 2knf n ASP 76 Ca 0.04 -3.43 -0.34 0.00 0.52 0.00 0.00 54.79 51.58 2knf n ASP 76 Cb 0.62 -0.75 -0.12 0.00 -0.72 0.00 0.00 41.12 40.14 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 -2.48 3.78 0.87 5.18 0.11 -1.26 -5.06 120.40 121.54 2knf s VAL 77 Ca 0.38 -0.39 -0.11 0.00 -2.93 0.00 0.00 61.98 58.93 2knf s VAL 77 Cb 0.13 -2.66 0.12 0.00 -1.53 0.00 0.00 36.38 32.44 2knf s VAL 77 CO -0.00 0.48 1.15 -2.16 -3.33 0.00 0.00 175.10 171.24 2knf s PRO 78 N 0.51 1.33 -0.31 1.54 0.04 -1.26 -4.55 135.00 132.29 2knf s PRO 78 Ca -0.04 1.54 -0.29 0.00 0.04 0.00 0.00 61.00 62.25 2knf s PRO 78 Cb -0.14 -1.76 -0.00 0.00 0.04 0.00 0.00 34.50 32.63 2knf s PRO 78 CO 0.03 -2.40 1.39 -1.14 0.04 0.00 0.00 177.00 174.92 2knf s GLN 79 N -4.58 3.81 0.05 4.56 2.00 -1.26 -0.58 119.66 123.66 2knf s GLN 79 Ca 0.67 1.26 -0.16 0.00 -2.00 0.00 0.00 55.36 55.13 2knf s GLN 79 Cb -0.23 -3.94 -0.21 0.00 0.80 0.00 0.00 33.01 29.43 2knf s GLN 79 CO 0.56 -1.26 1.19 0.00 -0.50 0.00 0.00 175.29 175.28 2knf n ALA 81 N -2.60 6.70 -0.16 0.00 0.00 -1.12 -4.99 120.51 118.33 2knf n ALA 81 Ca -0.10 -3.79 0.00 0.00 0.00 0.00 0.00 53.44 49.55 2knf n ALA 81 Cb 0.73 -3.28 0.00 0.00 0.00 0.00 0.00 19.45 16.90 2knf n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50