#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 0.85 -0.27 6.43 5.15 -1.26 -4.95 115.26 121.21 2knf n ASN -3 Ca 0.00 -0.82 -0.04 0.00 -0.60 0.00 0.00 54.58 53.12 2knf n ASN -3 Cb 0.00 1.05 -0.02 0.00 -0.53 0.00 0.00 39.78 40.29 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 -1.59 -0.05 -1.29 5.20 0.00 -1.26 -4.84 120.51 116.67 2knf n ALA -2 Ca 0.03 0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.32 2knf n ALA -2 Cb 0.36 -1.20 -0.10 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.65 5.98 -3.60 0.00 2.03 -1.26 -2.13 116.55 116.92 2knf n ASP -1 Ca -0.04 -2.91 -0.14 0.00 0.52 0.00 0.00 54.79 52.22 2knf n ASP -1 Cb 0.39 -1.31 -0.06 0.00 -0.72 0.00 0.00 41.12 39.42 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 -2.06 3.56 -0.47 0.00 0.23 0.71 -4.27 119.30 117.01 2knf s MET 2 Ca -0.07 -0.08 -0.13 0.00 -1.03 0.00 0.00 55.69 54.37 2knf s MET 2 Cb -0.01 -3.12 0.09 0.00 -1.53 0.00 0.00 34.83 30.26 2knf s MET 2 CO 0.01 0.68 0.37 -0.06 -2.03 0.00 0.00 175.02 173.99 2knf s PHE 3 N -1.23 3.28 0.00 3.16 0.40 -1.26 0.11 117.98 122.44 2knf s PHE 3 Ca 0.24 -1.21 0.00 0.00 -0.60 0.00 0.00 56.93 55.37 2knf s PHE 3 Cb -0.13 -3.22 0.00 0.00 0.51 0.00 0.00 43.02 40.18 2knf s PHE 3 CO 0.14 -0.85 0.00 0.41 0.70 0.00 0.00 175.22 175.61 2knf n GLY 4 N 5.11 1.76 0.12 4.36 0.00 -1.26 -2.84 105.19 112.44 2knf n GLY 4 Ca -0.12 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.89 -3.46 115.58 114.19 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 0.02 0.00 0.61 -1.65 0.00 0.00 177.43 176.41 2knf n GLY 6 N 1.18 1.32 0.32 2.83 0.00 -1.13 -1.09 105.19 108.62 2knf n GLY 6 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 0.99 1.00 -0.45 1.61 1.57 -1.75 -2.09 116.57 117.46 2knf h LYS 7 Ca 0.00 -0.21 -0.14 0.00 -1.87 0.00 0.00 60.65 58.43 2knf h LYS 7 Cb 0.00 -0.15 -0.08 0.00 0.08 0.00 0.00 32.23 32.08 2knf h LYS 7 CO 0.00 0.88 0.08 0.41 -0.57 0.00 0.00 179.45 180.25 2knf n GLY 8 N -0.80 4.24 3.57 3.86 0.00 -1.26 -4.77 105.19 110.02 2knf n GLY 8 Ca 0.05 -1.09 -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 -3.03 1.86 -0.57 1.61 5.04 -0.80 -4.61 117.35 116.85 2knf s TYR 9 Ca 0.47 0.66 0.02 0.00 -2.44 0.00 0.00 57.07 55.78 2knf s TYR 9 Cb 0.40 -4.18 0.41 0.00 0.35 0.00 0.00 41.96 38.93 2knf s TYR 9 CO 0.07 -2.36 1.55 0.54 -1.34 0.00 0.00 175.55 174.02 2knf n ARG 10 N 8.89 3.14 0.00 4.97 5.12 -1.24 -4.82 116.66 132.72 2knf n ARG 10 Ca 0.19 -3.95 0.00 0.00 -1.93 0.00 0.00 57.85 52.16 2knf n ARG 10 Cb 0.50 -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 -0.61 1.45 0.23 -0.13 0.00 -0.91 -4.51 105.19 100.71 2knf n GLY 11 Ca 0.48 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.10 1.61 2.85 -1.26 -4.79 118.16 114.46 2knf n LYS 12 Ca 0.00 -0.71 -0.41 0.00 -1.05 0.00 0.00 58.31 56.14 2knf n LYS 12 Cb 0.00 -0.48 -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 4.33 -0.24 -1.58 1.81 -1.26 -4.81 118.95 117.20 2knf s ARG 13 Ca 0.00 2.20 0.20 0.00 -1.72 0.00 0.00 55.73 56.41 2knf s ARG 13 Cb 0.00 -3.13 0.49 0.00 -0.45 0.00 0.00 34.95 31.86 2knf s ARG 13 CO 0.00 -0.32 1.13 1.33 -0.68 0.00 0.00 175.30 176.77 2knf n VAL 14 N 2.16 1.39 -3.73 3.52 0.24 -1.26 0.82 118.33 121.46 2knf n VAL 14 Ca 0.05 -2.97 -0.14 0.00 -2.04 0.00 0.00 64.34 59.25 2knf n VAL 14 Cb 0.41 0.83 -0.09 0.00 -1.47 0.00 0.00 33.84 33.53 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 -3.58 0.04 0.16 3.34 -4.23 -1.26 -1.49 115.64 108.62 2knf s THR 15 Ca 0.32 -0.35 -0.03 0.00 -1.18 0.00 0.00 61.69 60.45 2knf s THR 15 Cb 0.34 -0.65 0.04 0.00 1.34 0.00 0.00 72.50 73.57 2knf s THR 15 CO -0.04 -0.19 0.18 0.35 -0.54 0.00 0.00 174.62 174.37 2knf n THR 16 N 1.46 0.00 0.31 3.99 -2.24 0.84 -3.75 114.28 114.89 2knf n THR 16 Ca -0.20 -0.11 0.17 0.00 -2.27 0.00 0.00 64.05 61.64 2knf n THR 16 Cb 0.56 -1.50 0.76 0.00 -2.10 0.00 0.00 70.33 68.05 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 -1.38 0.00 0.00 2.28 -1.51 0.10 -1.56 116.25 114.18 2knf h VAL 17 Ca -0.06 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 2knf h VAL 17 Cb 0.18 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 2knf h VAL 17 CO 0.04 0.00 -0.86 0.35 -1.23 0.00 0.00 177.57 175.88 2knf n THR 18 N -2.82 0.11 -0.68 7.19 -2.24 -1.26 -4.91 114.28 109.67 2knf n THR 18 Ca -0.00 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2knf n THR 18 Cb 0.21 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 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 1.42 0.64 3.67 3.38 0.00 -0.59 -5.03 105.19 108.68 2knf n GLY 19 Ca 0.03 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 4.32 0.05 2.61 2.01 -1.26 -4.65 115.64 116.72 2knf s THR 20 Ca 0.00 1.61 -0.36 0.00 0.31 0.00 0.00 61.69 63.25 2knf s THR 20 Cb 0.00 -4.04 -0.16 0.00 0.01 0.00 0.00 72.50 68.31 2knf s THR 20 CO 0.00 -0.10 1.48 -2.65 -0.69 0.00 0.00 174.62 172.66 2knf n PRO 21 N 6.14 1.45 -2.21 4.92 -0.02 -1.26 -0.11 135.00 143.91 2knf n PRO 21 Ca 0.13 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.72 2knf n PRO 21 Cb 0.45 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 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 -1.02 1.15 -0.05 0.00 0.74 0.41 -4.72 119.66 116.16 2knf s GLN 23 Ca 0.52 0.75 -0.30 0.00 0.05 0.00 0.00 55.36 56.38 2knf s GLN 23 Cb -0.37 -1.80 -0.03 0.00 1.10 0.00 0.00 33.01 31.91 2knf s GLN 23 CO 0.45 -2.30 1.14 -0.51 -0.55 0.00 0.00 175.29 173.52 2knf s ASP 24 N -3.46 7.11 0.53 6.67 1.01 -1.26 -4.39 116.67 122.88 2knf s ASP 24 Ca 0.64 1.76 0.26 0.00 0.71 0.00 0.00 52.55 55.92 2knf s ASP 24 Cb -0.18 -2.56 1.40 0.00 1.01 0.00 0.00 42.92 42.59 2knf s ASP 24 CO 0.57 -0.53 1.97 -0.50 0.21 0.00 0.00 175.17 176.89 2knf h TRP 25 N 7.28 0.03 0.00 4.23 4.06 -1.27 0.38 115.95 130.66 2knf h TRP 25 Ca -0.34 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.61 2knf h TRP 25 Cb 1.17 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 29.32 2knf h TRP 25 CO 0.72 0.01 0.00 0.00 -3.56 0.00 0.00 178.44 175.61 2knf h ALA 26 N 1.69 1.00 -2.96 1.49 0.00 -1.87 -3.37 119.26 115.23 2knf h ALA 26 Ca 0.30 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.59 2knf h ALA 26 Cb 1.17 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 2knf h ALA 26 CO -0.01 0.00 -0.53 0.00 0.00 0.00 0.00 179.25 178.71 2knf s ALA 27 N -3.33 3.89 -0.29 0.00 0.00 0.13 -4.97 121.76 117.20 2knf s ALA 27 Ca 0.05 -0.90 0.11 0.00 0.00 0.00 0.00 51.96 51.23 2knf s ALA 27 Cb 0.06 -1.72 0.67 0.00 0.00 0.00 0.00 23.12 22.13 2knf s ALA 27 CO 0.64 0.79 1.68 1.04 0.00 0.00 0.00 175.76 179.90 2knf n GLN 28 N 0.29 3.32 -3.78 0.00 1.13 -1.26 -4.62 117.38 112.46 2knf n GLN 28 Ca -0.06 -3.06 -0.15 0.00 -1.94 0.00 0.00 57.00 51.80 2knf n GLN 28 Cb 0.51 -2.08 -0.16 0.00 0.11 0.00 0.00 30.24 28.63 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 -2.99 -0.02 -0.12 -1.09 2.02 -1.26 -1.66 118.70 113.59 2knf s GLU 29 Ca 0.51 0.20 0.02 0.00 0.02 0.00 0.00 54.97 55.72 2knf s GLU 29 Cb 0.41 -0.21 0.22 0.00 0.10 0.00 0.00 34.13 34.65 2knf s GLU 29 CO 0.11 -0.15 1.15 -0.35 0.02 0.00 0.00 175.26 176.03 2knf n PRO 30 N 4.08 1.66 -3.89 0.39 -0.04 -1.26 -4.69 135.00 131.25 2knf n PRO 30 Ca -0.26 -0.93 -0.30 0.00 -0.04 0.00 0.00 63.50 61.97 2knf n PRO 30 Cb 0.51 -1.49 -0.16 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.19 2.10 -0.33 0.54 3.76 -1.02 -5.01 115.29 114.15 2knf s HIS 31 Ca 0.17 -1.57 -0.29 0.00 -0.15 0.00 0.00 55.06 53.22 2knf s HIS 31 Cb 0.14 -1.47 -0.00 0.00 1.11 0.00 0.00 32.58 32.36 2knf s HIS 31 CO 0.04 -0.74 1.48 1.03 -0.85 0.00 0.00 174.74 175.70 2knf s ARG 32 N 1.49 3.67 -0.32 1.40 1.81 -0.66 -4.10 118.95 122.24 2knf s ARG 32 Ca -0.05 1.23 -0.01 0.00 -1.72 0.00 0.00 55.73 55.18 2knf s ARG 32 Cb -0.18 -4.01 0.13 0.00 -0.45 0.00 0.00 34.95 30.43 2knf s ARG 32 CO -0.07 -1.44 0.25 -3.38 -0.68 0.00 0.00 175.30 169.99 2knf s HIS 33 N 5.32 -0.02 -0.69 -0.53 -3.43 -1.26 -4.98 115.29 109.70 2knf s HIS 33 Ca 0.65 -0.75 0.00 0.00 -0.80 0.00 0.00 55.06 54.16 2knf s HIS 33 Cb -0.18 -0.64 0.00 0.00 -1.43 0.00 0.00 32.58 30.33 2knf s HIS 33 CO 0.30 -0.89 0.51 0.43 -2.00 0.00 0.00 174.74 173.09 2knf n SER 34 N 4.84 1.27 -4.04 7.38 7.64 -1.26 -4.76 113.62 124.69 2knf n SER 34 Ca 0.02 -1.57 -0.08 0.00 1.01 0.00 0.00 58.87 58.26 2knf n SER 34 Cb 0.43 -0.39 -0.10 0.00 -1.01 0.00 0.00 64.21 63.14 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 -0.63 0.19 -1.44 0.44 -4.36 -1.26 -4.82 121.20 109.33 2knf s ILE 35 Ca 0.00 -1.58 -0.05 0.00 -0.26 0.00 0.00 60.65 58.76 2knf s ILE 35 Cb 0.00 -1.29 0.04 0.00 1.25 0.00 0.00 42.46 42.45 2knf s ILE 35 CO 0.00 -0.88 0.65 0.49 0.24 0.00 0.00 174.94 175.45 2knf n PHE 36 N 0.34 -1.86 -3.02 1.37 3.72 -1.26 -5.01 117.46 111.73 2knf n PHE 36 Ca -0.16 0.81 -0.18 0.00 -0.05 0.00 0.00 57.45 57.87 2knf n PHE 36 Cb 0.60 -3.89 0.04 0.00 -0.94 0.00 0.00 39.48 35.29 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 -3.67 2.54 0.00 4.37 -4.23 -1.26 -4.75 115.64 108.64 2knf s THR 37 Ca 0.22 -1.00 0.30 0.00 -1.18 0.00 0.00 61.69 60.03 2knf s THR 37 Cb -0.11 -2.54 0.31 0.00 1.34 0.00 0.00 72.50 71.50 2knf s THR 37 CO 0.86 0.00 1.91 -0.65 -0.54 0.00 0.00 174.62 176.20 2knf h PRO 38 N 0.39 0.00 0.09 3.99 0.11 -1.77 -1.47 132.00 133.34 2knf h PRO 38 Ca -0.34 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.41 2knf h PRO 38 Cb 1.28 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 2knf h PRO 38 CO 0.43 0.00 -1.96 0.39 -0.21 0.00 0.00 178.00 176.64 2knf n GLU 39 N -2.60 0.73 0.12 1.05 1.02 -1.26 -3.72 120.64 115.98 2knf n GLU 39 Ca -0.01 0.26 0.12 0.00 -0.02 0.00 0.00 57.16 57.51 2knf n GLU 39 Cb 0.14 -1.72 0.02 0.00 -0.02 0.00 0.00 31.44 29.86 2knf n GLU 39 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2knf h THR 40 N 0.05 0.00 -2.06 2.62 1.35 -1.90 -3.39 112.91 109.58 2knf h THR 40 Ca -0.40 -0.99 -0.54 0.00 -0.55 0.00 0.00 66.41 63.92 2knf h THR 40 Cb 2.03 1.55 -0.40 0.00 -1.73 0.00 0.00 68.15 69.60 2knf h THR 40 CO 0.08 0.00 -1.01 0.59 -0.25 0.00 0.00 175.52 174.93 2knf n ASN 41 N -2.72 1.39 0.00 5.36 4.13 -0.56 -4.89 115.26 117.96 2knf n ASN 41 Ca 0.01 -3.01 0.01 0.00 1.68 0.00 0.00 54.58 53.27 2knf n ASN 41 Cb 0.55 -0.63 0.09 0.00 -1.54 0.00 0.00 39.78 38.24 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 0.79 0.68 -0.01 3.52 -0.04 -1.24 -2.87 135.00 135.83 2knf n PRO 42 Ca 0.25 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.80 2knf n PRO 42 Cb 0.54 -1.07 -0.13 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.57 0.67 -0.10 0.54 1.85 -1.26 -4.28 116.66 113.51 2knf n ARG 43 Ca 0.02 -0.12 0.06 0.00 -1.00 0.00 0.00 57.85 56.81 2knf n ARG 43 Cb 0.01 -1.43 0.11 0.00 -1.05 0.00 0.00 32.46 30.10 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 -1.94 2.33 -3.37 2.89 0.00 -1.14 -4.99 120.51 114.30 2knf n ALA 44 Ca -0.01 -0.89 -0.18 0.00 0.00 0.00 0.00 53.44 52.36 2knf n ALA 44 Cb 0.43 -0.45 0.08 0.00 0.00 0.00 0.00 19.45 19.50 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 0.67 -0.33 3.56 0.00 0.00 -1.26 -4.80 105.19 103.03 2knf n GLY 45 Ca 0.10 0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -6.23 3.25 -0.12 0.99 1.02 -1.26 -4.94 118.68 111.39 2knf s LEU 46 Ca 0.22 -0.42 -0.03 0.00 0.02 0.00 0.00 54.13 53.92 2knf s LEU 46 Cb -0.10 -2.55 -0.03 0.00 0.02 0.00 0.00 46.19 43.53 2knf s LEU 46 CO 0.66 -2.35 -0.03 -1.83 0.02 0.00 0.00 176.35 172.82 2knf s GLU 47 N 6.59 3.34 4.80 1.70 -1.05 -1.26 -4.07 118.70 128.75 2knf s GLU 47 Ca 0.62 -0.48 0.00 0.00 -0.15 0.00 0.00 54.97 54.96 2knf s GLU 47 Cb -0.08 -2.84 0.00 0.00 -0.44 0.00 0.00 34.13 30.77 2knf s GLU 47 CO 0.07 0.45 0.00 1.63 0.95 0.00 0.00 175.26 178.36 2knf n LYS 48 N 2.91 0.00 -0.11 -4.83 4.76 -1.26 -1.95 118.16 117.68 2knf n LYS 48 Ca -0.18 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.27 2knf n LYS 48 Cb 0.53 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.73 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 9.38 0.55 -4.71 4.39 6.94 -1.26 -0.82 115.26 129.73 2knf n ASN 49 Ca 0.00 -1.56 -0.42 0.00 -0.02 0.00 0.00 54.58 52.58 2knf n ASN 49 Cb 0.00 -0.07 -0.03 0.00 -2.36 0.00 0.00 39.78 37.32 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 -0.40 2.88 0.78 -2.53 2.02 -0.82 -4.61 117.35 114.66 2knf s TYR 50 Ca 0.02 0.52 -0.15 0.00 -0.37 0.00 0.00 57.07 57.09 2knf s TYR 50 Cb 0.02 -3.96 -0.02 0.00 -0.40 0.00 0.00 41.96 37.60 2knf s TYR 50 CO 0.00 -3.62 0.47 0.00 -1.57 0.00 0.00 175.55 170.83 2knf s ARG 52 N -2.94 1.71 -0.58 0.00 1.81 -0.72 -4.70 118.95 113.53 2knf s ARG 52 Ca 0.63 -1.02 0.05 0.00 -1.72 0.00 0.00 55.73 53.67 2knf s ARG 52 Cb -0.31 0.58 0.18 0.00 -0.45 0.00 0.00 34.95 34.95 2knf s ARG 52 CO 0.61 -0.77 0.47 -1.71 -0.68 0.00 0.00 175.30 173.23 2knf n ASN 53 N -0.44 1.72 0.07 0.23 2.85 -1.13 -0.54 115.26 118.03 2knf n ASN 53 Ca -0.04 -2.92 0.09 0.00 -0.11 0.00 0.00 54.58 51.60 2knf n ASN 53 Cb 0.60 -0.67 0.40 0.00 1.24 0.00 0.00 39.78 41.35 2knf n ASN 53 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2knf n PRO 54 N 2.09 0.10 -0.04 1.20 -0.04 -1.26 -1.47 135.00 135.58 2knf n PRO 54 Ca 0.24 0.35 -0.04 0.00 -0.04 0.00 0.00 63.50 64.02 2knf n PRO 54 Cb 0.41 -1.70 -0.14 0.00 -0.04 0.00 0.00 33.50 32.03 2knf n PRO 54 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2knf n ASP 55 N -1.90 0.38 -3.07 3.54 2.03 -1.26 -4.94 116.55 111.32 2knf n ASP 55 Ca 0.03 0.17 -0.22 0.00 0.52 0.00 0.00 54.79 55.29 2knf n ASP 55 Cb 0.20 0.75 0.05 0.00 -0.72 0.00 0.00 41.12 41.40 2knf n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2knf n GLY 56 N 1.54 -0.44 3.55 0.27 0.00 -0.54 -4.93 105.19 104.64 2knf n GLY 56 Ca -0.19 0.13 -0.53 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.45 0.88 -1.24 1.61 2.03 -1.26 -4.79 116.55 111.34 2knf n ASP 57 Ca -0.06 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.39 2knf n ASP 57 Cb 0.59 -1.10 0.00 0.00 -0.72 0.00 0.00 41.12 39.89 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 1.82 1.16 0.00 5.18 0.31 -1.26 -1.62 118.33 123.92 2knf n VAL 58 Ca 0.18 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2knf n VAL 58 Cb 0.17 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 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 0.99 0.03 0.00 2.92 0.00 -1.26 -5.11 105.19 102.77 2knf n GLY 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.20 0.92 3.79 -0.02 0.00 -0.64 -5.07 105.19 106.38 2knf n GLY 60 Ca 0.00 -2.24 -0.34 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 -1.00 3.38 0.05 1.61 0.04 -0.25 -4.61 135.00 134.22 2knf s PRO 61 Ca 0.00 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.40 2knf s PRO 61 Cb 0.00 -2.03 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 2knf s PRO 61 CO 0.00 -0.78 0.07 -2.67 0.04 0.00 0.00 177.00 173.65 2knf n TRP 62 N -1.66 -0.45 -3.90 0.56 4.27 0.30 -0.90 117.44 115.65 2knf n TRP 62 Ca 0.10 -0.39 -0.03 0.00 -3.89 0.00 0.00 57.50 53.29 2knf n TRP 62 Cb 0.52 0.07 0.02 0.00 -1.36 0.00 0.00 31.31 30.57 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 -2.06 3.55 0.07 0.00 2.02 -1.26 -1.84 117.35 117.82 2knf s TYR 64 Ca 0.23 0.49 -0.03 0.00 -0.37 0.00 0.00 57.07 57.39 2knf s TYR 64 Cb -0.03 -1.93 -0.05 0.00 -0.40 0.00 0.00 41.96 39.56 2knf s TYR 64 CO 0.06 0.70 0.26 0.95 -1.57 0.00 0.00 175.55 175.94 2knf s THR 65 N -0.97 5.32 -0.92 -0.71 -4.23 -0.44 0.15 115.64 113.84 2knf s THR 65 Ca 0.15 -0.16 0.01 0.00 -1.18 0.00 0.00 61.69 60.50 2knf s THR 65 Cb -0.12 -3.61 0.04 0.00 1.34 0.00 0.00 72.50 70.15 2knf s THR 65 CO 0.04 0.17 0.58 0.35 -0.54 0.00 0.00 174.62 175.21 2knf n THR 66 N 0.43 0.18 -3.53 3.99 -2.24 -0.52 -4.57 114.28 108.02 2knf n THR 66 Ca -0.06 -0.07 -0.39 0.00 -2.27 0.00 0.00 64.05 61.27 2knf n THR 66 Cb 0.52 -0.51 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 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 0.00 6.08 0.00 3.42 3.84 -1.26 -4.84 114.94 122.19 2knf s ASN 67 Ca 0.03 -0.02 0.10 0.00 0.21 0.00 0.00 52.86 53.18 2knf s ASN 67 Cb 0.02 -2.15 0.59 0.00 -0.55 0.00 0.00 41.25 39.17 2knf s ASN 67 CO 0.01 -0.12 1.06 -2.65 -2.79 0.00 0.00 177.10 172.61 2knf n PRO 68 N 5.14 0.30 0.03 0.43 -0.02 -1.26 -2.40 135.00 137.22 2knf n PRO 68 Ca -0.12 0.02 -0.21 0.00 -2.02 0.00 0.00 63.50 61.16 2knf n PRO 68 Cb 0.51 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.35 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 0.27 -4.64 -0.52 2.47 -1.96 -3.48 114.38 106.52 2knf h ARG 69 Ca 0.00 -0.47 -0.29 0.00 -1.26 0.00 0.00 59.98 57.96 2knf h ARG 69 Cb 0.01 0.17 -0.22 0.00 -1.65 0.00 0.00 29.97 28.29 2knf h ARG 69 CO 0.00 1.22 -0.74 -1.59 0.56 0.00 0.00 179.97 179.42 2knf s LYS 70 N -2.48 0.56 -0.01 0.04 0.00 -1.01 -5.06 119.74 111.78 2knf s LYS 70 Ca -0.18 -0.75 -0.20 0.00 0.00 0.00 0.00 55.97 54.84 2knf s LYS 70 Cb 0.04 -0.36 -0.30 0.00 0.00 0.00 0.00 37.83 37.21 2knf s LYS 70 CO 0.79 0.07 0.98 1.25 0.00 0.00 0.00 175.35 178.44 2knf h LEU 71 N 4.54 0.61 -8.20 2.77 5.85 -1.89 -3.41 115.31 115.58 2knf h LEU 71 Ca -0.36 -0.89 -0.13 0.00 0.84 0.00 0.00 57.88 57.33 2knf h LEU 71 Cb 1.20 -0.19 -0.14 0.00 0.37 0.00 0.00 40.66 41.90 2knf h LEU 71 CO 0.41 1.45 -0.52 -0.72 -0.34 0.00 0.00 178.44 178.72 2knf s TYR 72 N -2.69 0.55 0.38 1.25 1.13 -1.26 -1.33 117.35 115.39 2knf s TYR 72 Ca -0.12 -0.97 -0.15 0.00 -1.41 0.00 0.00 57.07 54.42 2knf s TYR 72 Cb 0.03 -0.28 0.05 0.00 -1.10 0.00 0.00 41.96 40.66 2knf s TYR 72 CO 0.86 -0.56 0.77 0.34 -2.51 0.00 0.00 175.55 174.46 2knf s ASP 73 N -2.97 0.06 0.32 -0.18 -1.08 -0.77 -4.86 116.67 107.20 2knf s ASP 73 Ca 0.16 -1.16 -0.01 0.00 -0.52 0.00 0.00 52.55 51.02 2knf s ASP 73 Cb 0.06 0.84 -0.04 0.00 -1.46 0.00 0.00 42.92 42.32 2knf s ASP 73 CO -0.03 -1.66 0.54 -0.31 0.52 0.00 0.00 175.17 174.24 2knf s TYR 74 N -2.40 3.50 0.35 -5.34 1.51 -1.26 -1.49 117.35 112.22 2knf s TYR 74 Ca 0.16 0.44 0.07 0.00 -1.01 0.00 0.00 57.07 56.74 2knf s TYR 74 Cb -0.05 -1.96 -0.02 0.00 -0.11 0.00 0.00 41.96 39.82 2knf s TYR 74 CO 0.12 0.14 0.35 0.00 -1.11 0.00 0.00 175.55 175.06 2knf n ASP 76 N -1.48 6.01 -4.59 0.00 2.03 -1.25 -4.57 116.55 112.71 2knf n ASP 76 Ca -0.00 -3.69 -0.35 0.00 0.52 0.00 0.00 54.79 51.28 2knf n ASP 76 Cb 0.60 -0.89 -0.10 0.00 -0.72 0.00 0.00 41.12 40.01 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 -4.37 4.62 0.94 5.18 0.11 -1.26 -5.04 120.40 120.57 2knf s VAL 77 Ca 0.44 -0.09 -0.11 0.00 -2.93 0.00 0.00 61.98 59.29 2knf s VAL 77 Cb 0.23 -3.09 0.16 0.00 -1.53 0.00 0.00 36.38 32.15 2knf s VAL 77 CO -0.13 0.45 1.12 -2.16 -3.33 0.00 0.00 175.10 171.04 2knf s PRO 78 N 0.53 0.83 -0.41 1.54 0.04 -1.26 -4.50 135.00 131.77 2knf s PRO 78 Ca 0.02 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.13 2knf s PRO 78 Cb -0.13 -1.72 0.01 0.00 0.04 0.00 0.00 34.50 32.70 2knf s PRO 78 CO 0.01 -2.70 1.37 -1.14 0.04 0.00 0.00 177.00 174.58 2knf s GLN 79 N -4.66 3.62 0.10 4.56 2.00 -1.26 -0.21 119.66 123.82 2knf s GLN 79 Ca 0.66 0.91 -0.10 0.00 -2.00 0.00 0.00 55.36 54.83 2knf s GLN 79 Cb -0.22 -4.00 -0.16 0.00 0.80 0.00 0.00 33.01 29.43 2knf s GLN 79 CO 0.59 -1.50 1.27 0.00 -0.50 0.00 0.00 175.29 175.14 2knf n ALA 81 N -2.60 6.48 -0.38 0.00 0.00 -1.19 -4.95 120.51 117.86 2knf n ALA 81 Ca -0.09 -4.14 0.00 0.00 0.00 0.00 0.00 53.44 49.21 2knf n ALA 81 Cb 0.82 -2.82 0.00 0.00 0.00 0.00 0.00 19.45 17.46 2knf n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50