#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 2.59 -0.81 6.43 6.94 -1.26 -4.86 115.26 124.29 2knf n ASN -3 Ca 0.00 -2.16 -0.10 0.00 -0.02 0.00 0.00 54.58 52.30 2knf n ASN -3 Cb 0.00 -0.37 -0.04 0.00 -2.36 0.00 0.00 39.78 37.01 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 0.57 -0.17 -1.37 -2.53 0.00 -1.26 -4.88 120.51 110.86 2knf n ALA -2 Ca 0.14 0.15 -0.38 0.00 0.00 0.00 0.00 53.44 53.34 2knf n ALA -2 Cb 0.47 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 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 0.36 6.66 -3.55 0.00 2.03 -1.26 -3.23 116.55 117.56 2knf n ASP -1 Ca -0.10 -2.63 -0.16 0.00 0.52 0.00 0.00 54.79 52.42 2knf n ASP -1 Cb 0.37 -1.52 -0.05 0.00 -0.72 0.00 0.00 41.12 39.19 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 -1.92 3.54 -0.45 0.00 0.23 0.72 -4.12 119.30 117.29 2knf s MET 2 Ca -0.08 -0.19 -0.12 0.00 -1.03 0.00 0.00 55.69 54.28 2knf s MET 2 Cb -0.01 -3.04 0.09 0.00 -1.53 0.00 0.00 34.83 30.35 2knf s MET 2 CO 0.03 0.62 0.34 -0.06 -2.03 0.00 0.00 175.02 173.91 2knf s PHE 3 N -1.40 3.32 0.00 3.16 0.40 -1.26 0.14 117.98 122.33 2knf s PHE 3 Ca 0.31 -1.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.23 2knf s PHE 3 Cb -0.13 -3.20 0.00 0.00 0.51 0.00 0.00 43.02 40.20 2knf s PHE 3 CO 0.20 -0.88 0.00 0.41 0.70 0.00 0.00 175.22 175.65 2knf n GLY 4 N 5.02 1.51 0.08 4.36 0.00 -1.26 -2.57 105.19 112.33 2knf n GLY 4 Ca -0.11 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 0.20 0.00 1.61 2.35 -1.89 -3.45 115.58 114.40 2knf h ASN 5 Ca 0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 2knf h ASN 5 Cb 0.00 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.30 2knf h ASN 5 CO 0.00 1.18 0.00 0.61 -1.65 0.00 0.00 177.43 177.57 2knf n GLY 6 N 1.46 1.54 0.18 2.83 0.00 -1.06 -1.42 105.19 108.71 2knf n GLY 6 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.53 -0.70 1.61 1.57 -1.75 -2.55 116.57 115.29 2knf h LYS 7 Ca 0.00 -0.16 -0.30 0.00 -1.87 0.00 0.00 60.65 58.32 2knf h LYS 7 Cb 0.00 -0.05 -0.18 0.00 0.08 0.00 0.00 32.23 32.08 2knf h LYS 7 CO 0.00 0.67 0.30 0.41 -0.57 0.00 0.00 179.45 180.26 2knf n GLY 8 N -0.36 4.29 3.56 3.86 0.00 -1.26 -4.78 105.19 110.50 2knf n GLY 8 Ca -0.02 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.52 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 -3.15 1.41 -0.83 1.61 5.04 -0.97 -4.71 117.35 115.75 2knf s TYR 9 Ca 0.52 1.06 -0.01 0.00 -2.44 0.00 0.00 57.07 56.20 2knf s TYR 9 Cb 0.44 -3.88 0.35 0.00 0.35 0.00 0.00 41.96 39.22 2knf s TYR 9 CO 0.09 -2.59 1.90 0.54 -1.34 0.00 0.00 175.55 174.15 2knf n ARG 10 N 9.00 3.13 -0.55 4.97 3.00 -1.25 -4.90 116.66 130.05 2knf n ARG 10 Ca 0.28 -3.76 0.00 0.00 -0.01 0.00 0.00 57.85 54.35 2knf n ARG 10 Cb 0.52 -2.29 0.00 0.00 0.00 0.00 0.00 32.46 30.69 2knf n ARG 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2knf n GLY 11 N -0.48 3.83 0.34 -0.13 0.00 -1.20 -4.33 105.19 103.22 2knf n GLY 11 Ca 0.51 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.22 0.00 -1.98 1.61 2.85 -1.26 -4.78 118.16 114.38 2knf n LYS 12 Ca 0.00 -0.75 -0.41 0.00 -1.05 0.00 0.00 58.31 56.10 2knf n LYS 12 Cb 0.00 -0.44 -0.02 0.00 -0.65 0.00 0.00 35.03 33.92 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 4.25 -0.26 -1.58 1.81 -1.26 -4.78 118.95 117.13 2knf s ARG 13 Ca 0.00 2.35 0.22 0.00 -1.72 0.00 0.00 55.73 56.58 2knf s ARG 13 Cb 0.00 -3.07 0.51 0.00 -0.45 0.00 0.00 34.95 31.93 2knf s ARG 13 CO 0.00 -0.42 1.11 1.33 -0.68 0.00 0.00 175.30 176.65 2knf n VAL 14 N 1.78 1.35 -3.72 3.52 0.24 -1.26 0.81 118.33 121.06 2knf n VAL 14 Ca 0.05 -3.02 -0.12 0.00 -2.04 0.00 0.00 64.34 59.21 2knf n VAL 14 Cb 0.40 1.12 -0.11 0.00 -1.47 0.00 0.00 33.84 33.79 2knf n VAL 14 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2knf s THR 15 N -3.85 -0.01 0.07 3.34 -1.32 -1.26 -1.16 115.64 111.44 2knf s THR 15 Ca 0.29 0.05 -0.01 0.00 -1.21 0.00 0.00 61.69 60.81 2knf s THR 15 Cb 0.33 -0.56 0.02 0.00 -1.51 0.00 0.00 72.50 70.77 2knf s THR 15 CO -0.03 0.02 0.07 0.35 -2.21 0.00 0.00 174.62 172.82 2knf n THR 16 N 3.55 0.00 0.30 5.08 -2.24 0.79 -3.90 114.28 117.87 2knf n THR 16 Ca -0.18 -0.04 0.18 0.00 -2.27 0.00 0.00 64.05 61.74 2knf n THR 16 Cb 0.56 -1.40 0.87 0.00 -2.10 0.00 0.00 70.33 68.26 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 -1.36 0.00 0.00 2.28 -1.51 0.77 0.80 116.25 117.23 2knf h VAL 17 Ca -0.02 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 2knf h VAL 17 Cb 0.07 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 2knf h VAL 17 CO 0.02 0.00 -0.88 0.35 -1.23 0.00 0.00 177.57 175.83 2knf n THR 18 N -2.91 0.13 -1.00 7.19 -2.24 -1.26 -4.94 114.28 109.25 2knf n THR 18 Ca -0.01 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2knf n THR 18 Cb 0.18 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 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 1.41 0.41 3.68 3.38 0.00 0.27 -5.04 105.19 109.31 2knf n GLY 19 Ca 0.03 -1.03 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 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 4.30 0.21 2.61 2.01 -1.26 -4.57 115.64 116.93 2knf s THR 20 Ca 0.00 1.60 -0.32 0.00 0.31 0.00 0.00 61.69 63.28 2knf s THR 20 Cb 0.00 -4.03 -0.15 0.00 0.01 0.00 0.00 72.50 68.33 2knf s THR 20 CO 0.00 -0.05 1.20 -2.65 -0.69 0.00 0.00 174.62 172.43 2knf n PRO 21 N 5.72 1.41 -2.54 4.92 -0.02 -1.26 -0.15 135.00 143.09 2knf n PRO 21 Ca 0.12 0.50 -0.39 0.00 -2.02 0.00 0.00 63.50 61.71 2knf n PRO 21 Cb 0.46 -2.02 -0.05 0.00 -0.02 0.00 0.00 33.50 31.87 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 -1.65 1.84 -0.07 0.00 0.74 0.34 -4.61 119.66 116.25 2knf s GLN 23 Ca 0.47 0.87 -0.30 0.00 0.05 0.00 0.00 55.36 56.46 2knf s GLN 23 Cb -0.29 -1.87 -0.03 0.00 1.10 0.00 0.00 33.01 31.93 2knf s GLN 23 CO 0.36 -1.85 1.15 -0.51 -0.55 0.00 0.00 175.29 173.89 2knf s ASP 24 N -3.56 7.10 0.52 6.67 1.01 -1.26 -4.31 116.67 122.84 2knf s ASP 24 Ca 0.62 1.73 0.26 0.00 0.71 0.00 0.00 52.55 55.87 2knf s ASP 24 Cb -0.17 -2.56 1.38 0.00 1.01 0.00 0.00 42.92 42.59 2knf s ASP 24 CO 0.56 -0.55 1.95 -0.50 0.21 0.00 0.00 175.17 176.84 2knf h TRP 25 N 7.37 0.06 0.00 4.23 4.06 -0.38 0.49 115.95 131.77 2knf h TRP 25 Ca -0.33 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.62 2knf h TRP 25 Cb 1.16 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 2knf h TRP 25 CO 0.73 0.02 0.00 0.00 -3.56 0.00 0.00 178.44 175.63 2knf n ALA 26 N -2.65 2.13 -2.76 1.49 0.00 -1.25 -4.36 120.51 113.11 2knf n ALA 26 Ca 0.13 -0.01 -0.31 0.00 0.00 0.00 0.00 53.44 53.25 2knf n ALA 26 Cb 0.72 -1.44 -0.07 0.00 0.00 0.00 0.00 19.45 18.66 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 -3.13 3.51 -0.40 0.00 0.00 0.17 -4.96 121.76 116.94 2knf s ALA 27 Ca 0.10 -0.99 0.05 0.00 0.00 0.00 0.00 51.96 51.12 2knf s ALA 27 Cb 0.12 -1.42 0.63 0.00 0.00 0.00 0.00 23.12 22.45 2knf s ALA 27 CO 0.53 0.72 1.80 1.04 0.00 0.00 0.00 175.76 179.85 2knf n GLN 28 N 0.72 2.20 -3.71 0.00 1.13 -1.26 -4.64 117.38 111.82 2knf n GLN 28 Ca -0.10 -3.06 -0.13 0.00 -1.94 0.00 0.00 57.00 51.77 2knf n GLN 28 Cb 0.52 -2.09 -0.13 0.00 0.11 0.00 0.00 30.24 28.65 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 -3.28 0.19 -0.10 -1.09 2.02 -1.26 -0.58 118.70 114.60 2knf s GLU 29 Ca 0.54 0.60 0.02 0.00 0.02 0.00 0.00 54.97 56.15 2knf s GLU 29 Cb 0.46 -0.10 0.20 0.00 0.10 0.00 0.00 34.13 34.80 2knf s GLU 29 CO 0.08 -0.20 1.11 -0.35 0.02 0.00 0.00 175.26 175.92 2knf n PRO 30 N 4.56 1.63 -3.82 0.39 -0.05 -1.26 -4.65 135.00 131.80 2knf n PRO 30 Ca -0.20 -0.86 -0.30 0.00 -0.05 0.00 0.00 63.50 62.09 2knf n PRO 30 Cb 0.52 -1.47 -0.15 0.00 -0.05 0.00 0.00 33.50 32.34 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 -1.14 2.06 -0.20 0.54 3.76 -1.13 -5.02 115.29 114.15 2knf s HIS 31 Ca 0.16 -1.78 -0.29 0.00 -0.15 0.00 0.00 55.06 53.00 2knf s HIS 31 Cb 0.13 -1.74 -0.01 0.00 1.11 0.00 0.00 32.58 32.06 2knf s HIS 31 CO 0.04 -0.82 1.32 -0.98 -0.85 0.00 0.00 174.74 173.44 2knf s ARG 32 N 1.50 4.11 -0.34 1.40 3.03 0.25 -4.14 118.95 124.75 2knf s ARG 32 Ca 0.04 1.57 0.01 0.00 2.03 0.00 0.00 55.73 59.38 2knf s ARG 32 Cb -0.18 -3.83 0.14 0.00 -1.03 0.00 0.00 34.95 30.06 2knf s ARG 32 CO -0.15 -0.88 0.29 -3.38 -1.13 0.00 0.00 175.30 170.05 2knf s HIS 33 N 3.90 0.03 0.00 5.89 -3.43 -1.26 -4.97 115.29 115.44 2knf s HIS 33 Ca 0.57 -0.95 0.00 0.00 -0.80 0.00 0.00 55.06 53.88 2knf s HIS 33 Cb -0.21 -0.61 0.00 0.00 -1.43 0.00 0.00 32.58 30.33 2knf s HIS 33 CO 0.19 -0.91 0.80 0.43 -2.00 0.00 0.00 174.74 173.25 2knf n SER 34 N 4.45 2.35 -3.87 7.38 7.64 -1.26 -4.66 113.62 125.65 2knf n SER 34 Ca 0.08 -1.49 -0.11 0.00 1.01 0.00 0.00 58.87 58.35 2knf n SER 34 Cb 0.43 -0.42 -0.12 0.00 -1.01 0.00 0.00 64.21 63.09 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 0.34 0.04 -1.36 0.44 -4.36 -1.26 -4.82 121.20 110.21 2knf s ILE 35 Ca 0.00 -0.30 -0.02 0.00 -0.26 0.00 0.00 60.65 60.07 2knf s ILE 35 Cb 0.00 -0.23 -0.00 0.00 1.25 0.00 0.00 42.46 43.48 2knf s ILE 35 CO 0.00 -0.17 0.50 0.49 0.24 0.00 0.00 174.94 176.01 2knf n PHE 36 N 2.44 -1.72 -3.29 1.37 3.72 -1.26 -5.01 117.46 113.71 2knf n PHE 36 Ca -0.17 0.74 -0.21 0.00 -0.05 0.00 0.00 57.45 57.77 2knf n PHE 36 Cb 0.58 -3.85 0.03 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 -3.86 2.20 -0.80 4.37 -4.23 -1.26 -4.84 115.64 107.21 2knf s THR 37 Ca 0.04 -1.15 0.14 0.00 -1.18 0.00 0.00 61.69 59.53 2knf s THR 37 Cb -0.01 -2.35 0.13 0.00 1.34 0.00 0.00 72.50 71.60 2knf s THR 37 CO 0.87 0.00 1.42 -2.65 -0.54 0.00 0.00 174.62 173.72 2knf n PRO 38 N -2.00 0.06 0.01 3.99 -0.02 -1.26 -0.57 135.00 135.20 2knf n PRO 38 Ca 0.09 0.39 -0.22 0.00 -2.02 0.00 0.00 63.50 61.75 2knf n PRO 38 Cb 0.62 -1.63 -0.14 0.00 -0.02 0.00 0.00 33.50 32.33 2knf n PRO 38 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2knf h GLU 39 N 0.00 0.27 0.00 -0.52 5.08 -1.93 -3.21 114.58 114.26 2knf h GLU 39 Ca 0.00 -0.46 -0.08 0.00 -1.00 0.00 0.00 59.36 57.83 2knf h GLU 39 Cb 0.19 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2knf h GLU 39 CO 0.00 1.22 -1.23 0.25 -1.00 0.00 0.00 179.01 178.25 2knf n THR 40 N -3.57 0.85 -3.16 1.13 -2.24 -1.14 -4.49 114.28 101.65 2knf n THR 40 Ca -0.31 -0.61 -0.20 0.00 -2.27 0.00 0.00 64.05 60.66 2knf n THR 40 Cb 1.03 -0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 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 -2.75 1.30 -0.52 3.42 4.13 0.26 -4.89 115.26 116.21 2knf n ASN 41 Ca -0.05 -3.08 0.00 0.00 1.68 0.00 0.00 54.58 53.13 2knf n ASN 41 Cb 0.68 -0.61 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 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 0.30 0.88 0.00 3.52 -0.04 -1.21 -2.99 135.00 135.45 2knf n PRO 42 Ca 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 2knf n PRO 42 Cb 0.61 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.08 5.00 -0.32 0.54 0.00 -1.26 -4.61 116.66 116.09 2knf n ARG 43 Ca 0.00 -0.05 0.09 0.00 -0.00 0.00 0.00 57.85 57.89 2knf n ARG 43 Cb 0.23 -0.47 0.25 0.00 -0.00 0.00 0.00 32.46 32.47 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 -0.73 2.39 -3.01 2.89 0.00 -1.16 -4.96 120.51 115.93 2knf n ALA 44 Ca 0.00 -1.31 -0.12 0.00 0.00 0.00 0.00 53.44 52.01 2knf n ALA 44 Cb 0.01 -0.72 0.04 0.00 0.00 0.00 0.00 19.45 18.78 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 1.03 0.16 3.50 0.00 0.00 -1.26 -4.65 105.19 103.96 2knf n GLY 45 Ca 0.19 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.78 5.12 -4.78 0.99 4.32 -1.26 -4.93 117.00 113.68 2knf n LEU 46 Ca -0.02 -3.96 -0.36 0.00 -0.02 0.00 0.00 56.01 51.65 2knf n LEU 46 Cb 0.54 -1.74 -0.08 0.00 -1.62 0.00 0.00 43.42 40.53 2knf n LEU 46 CO 0.33 0.26 -0.21 -1.83 -1.22 0.00 0.00 177.39 174.72 2knf s GLU 47 N 4.02 3.59 2.24 3.23 -1.05 -1.26 -4.21 118.70 125.26 2knf s GLU 47 Ca 0.53 -0.23 0.00 0.00 -0.15 0.00 0.00 54.97 55.12 2knf s GLU 47 Cb 0.05 -3.17 0.00 0.00 -0.44 0.00 0.00 34.13 30.57 2knf s GLU 47 CO 0.06 0.59 0.00 1.63 0.95 0.00 0.00 175.26 178.50 2knf n LYS 48 N 2.55 0.00 -0.08 -4.83 5.02 -1.26 -2.32 118.16 117.24 2knf n LYS 48 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 2knf n LYS 48 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 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 6.53 0.00 -4.72 4.39 6.94 -1.26 0.39 115.26 127.53 2knf n ASN 49 Ca 0.00 -1.15 -0.42 0.00 -0.02 0.00 0.00 54.58 52.99 2knf n ASN 49 Cb 0.00 -0.03 -0.03 0.00 -2.36 0.00 0.00 39.78 37.36 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 3.09 0.44 -2.53 2.02 -0.98 -4.58 117.35 114.80 2knf s TYR 50 Ca 0.00 0.80 -0.23 0.00 -0.37 0.00 0.00 57.07 57.27 2knf s TYR 50 Cb 0.00 -3.85 -0.10 0.00 -0.40 0.00 0.00 41.96 37.61 2knf s TYR 50 CO 0.00 -3.01 0.95 0.00 -1.57 0.00 0.00 175.55 171.92 2knf s ARG 52 N -2.05 1.41 -0.56 0.00 1.81 0.13 -4.77 118.95 114.92 2knf s ARG 52 Ca 0.65 -1.28 0.05 0.00 -1.72 0.00 0.00 55.73 53.43 2knf s ARG 52 Cb -0.54 0.42 0.19 0.00 -0.45 0.00 0.00 34.95 34.57 2knf s ARG 52 CO 0.56 -0.56 0.47 -1.71 -0.68 0.00 0.00 175.30 173.38 2knf n ASN 53 N -0.33 1.52 0.00 0.23 2.85 -1.13 -0.01 115.26 118.39 2knf n ASN 53 Ca -0.03 -2.88 0.09 0.00 -0.11 0.00 0.00 54.58 51.66 2knf n ASN 53 Cb 0.63 -0.66 0.40 0.00 1.24 0.00 0.00 39.78 41.39 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 2.10 0.01 -0.02 1.20 -0.04 -1.26 -1.46 135.00 135.52 2knf n PRO 54 Ca 0.25 0.18 -0.12 0.00 -0.04 0.00 0.00 63.50 63.77 2knf n PRO 54 Cb 0.42 -1.51 -0.14 0.00 -0.04 0.00 0.00 33.50 32.23 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 -1.53 1.15 -2.61 3.54 -0.08 -1.26 -4.96 116.55 110.79 2knf n ASP 55 Ca 0.04 0.33 -0.18 0.00 -1.51 0.00 0.00 54.79 53.47 2knf n ASP 55 Cb 0.22 -0.20 0.04 0.00 2.34 0.00 0.00 41.12 43.52 2knf n ASP 55 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2knf n GLY 56 N 1.69 -0.28 3.56 0.27 0.00 -0.54 -4.95 105.19 104.93 2knf n GLY 56 Ca -0.22 -0.01 -0.50 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.81 1.02 0.00 1.61 -0.08 -1.26 -4.81 116.55 111.22 2knf n ASP 57 Ca -0.07 1.14 0.08 0.00 -1.51 0.00 0.00 54.79 54.43 2knf n ASP 57 Cb 0.59 -1.16 0.46 0.00 2.34 0.00 0.00 41.12 43.35 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 1.46 0.00 0.09 5.18 0.31 -1.26 -1.36 118.33 122.75 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 0.22 -0.73 -0.03 0.00 -0.91 0.00 0.00 33.84 32.40 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 0.01 -1.40 0.00 2.92 0.00 -1.26 -4.94 105.19 100.52 2knf n GLY 59 Ca 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 1.19 0.88 3.80 -0.02 0.00 -0.47 -5.05 105.19 105.52 2knf n GLY 60 Ca -0.01 -2.28 -0.32 0.00 0.00 0.00 0.00 46.02 43.42 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 2.88 0.00 1.61 0.04 -0.51 -4.56 135.00 133.48 2knf s PRO 61 Ca 0.00 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.12 2knf s PRO 61 Cb 0.00 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2knf s PRO 61 CO 0.00 -1.15 0.00 -2.67 0.04 0.00 0.00 177.00 173.22 2knf n TRP 62 N -2.92 -0.49 -3.74 0.56 4.27 0.99 -0.92 117.44 115.19 2knf n TRP 62 Ca 0.08 0.00 -0.02 0.00 -3.89 0.00 0.00 57.50 53.67 2knf n TRP 62 Cb 0.53 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 30.50 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 -3.39 3.52 0.06 0.00 2.02 -1.26 -1.65 117.35 116.65 2knf s TYR 64 Ca 0.15 0.31 0.00 0.00 -0.37 0.00 0.00 57.07 57.17 2knf s TYR 64 Cb -0.02 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.70 2knf s TYR 64 CO 0.04 0.62 0.19 0.95 -1.57 0.00 0.00 175.55 175.78 2knf s THR 65 N -1.37 5.30 -0.52 -0.71 -4.23 -0.80 0.13 115.64 113.44 2knf s THR 65 Ca 0.29 -0.41 0.01 0.00 -1.18 0.00 0.00 61.69 60.40 2knf s THR 65 Cb -0.13 -3.57 0.09 0.00 1.34 0.00 0.00 72.50 70.23 2knf s THR 65 CO 0.21 0.15 0.86 0.35 -0.54 0.00 0.00 174.62 175.66 2knf n THR 66 N 0.36 0.77 -3.78 3.99 -2.24 0.14 -4.37 114.28 109.14 2knf n THR 66 Ca -0.06 -0.20 -0.36 0.00 -2.27 0.00 0.00 64.05 61.15 2knf n THR 66 Cb 0.51 -0.68 -0.13 0.00 -2.10 0.00 0.00 70.33 67.93 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 0.27 4.97 0.00 3.42 3.84 -1.26 -4.94 114.94 121.24 2knf s ASN 67 Ca 0.07 -0.41 0.06 0.00 0.21 0.00 0.00 52.86 52.78 2knf s ASN 67 Cb 0.06 -1.87 0.33 0.00 -0.55 0.00 0.00 41.25 39.22 2knf s ASN 67 CO 0.02 -0.08 0.76 -2.65 -2.79 0.00 0.00 177.10 172.36 2knf n PRO 68 N 4.88 0.43 -0.07 0.43 -0.02 -1.26 -2.56 135.00 136.83 2knf n PRO 68 Ca -0.16 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.13 2knf n PRO 68 Cb 0.50 -1.20 -0.12 0.00 -0.02 0.00 0.00 33.50 32.65 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 0.03 -5.31 -0.52 2.47 -1.97 -3.48 114.38 105.61 2knf h ARG 69 Ca 0.00 -0.06 -0.41 0.00 -1.26 0.00 0.00 59.98 58.25 2knf h ARG 69 Cb 0.00 0.02 -0.22 0.00 -1.65 0.00 0.00 29.97 28.12 2knf h ARG 69 CO 0.00 1.03 -0.78 -1.59 0.56 0.00 0.00 179.97 179.19 2knf s LYS 70 N -2.32 0.83 0.01 0.04 0.00 -1.06 -5.05 119.74 112.18 2knf s LYS 70 Ca -0.24 -0.90 -0.19 0.00 0.00 0.00 0.00 55.97 54.64 2knf s LYS 70 Cb 0.02 -0.83 -0.24 0.00 0.00 0.00 0.00 37.83 36.78 2knf s LYS 70 CO 0.66 0.19 1.09 1.25 0.00 0.00 0.00 175.35 178.53 2knf h LEU 71 N 4.44 0.57 -7.91 2.77 5.85 -1.91 -3.40 115.31 115.72 2knf h LEU 71 Ca -0.40 -0.78 -0.14 0.00 0.84 0.00 0.00 57.88 57.40 2knf h LEU 71 Cb 1.19 -0.18 -0.19 0.00 0.37 0.00 0.00 40.66 41.86 2knf h LEU 71 CO 0.41 1.28 -0.56 -0.72 -0.34 0.00 0.00 178.44 178.51 2knf s TYR 72 N -3.13 0.21 0.18 1.25 1.13 -1.26 -1.90 117.35 113.83 2knf s TYR 72 Ca -0.13 -0.48 -0.15 0.00 -1.41 0.00 0.00 57.07 54.90 2knf s TYR 72 Cb 0.04 -0.15 0.02 0.00 -1.10 0.00 0.00 41.96 40.76 2knf s TYR 72 CO 0.84 -0.32 0.44 0.34 -2.51 0.00 0.00 175.55 174.34 2knf s ASP 73 N -1.93 -0.16 0.32 -0.18 -1.08 -0.66 -4.89 116.67 108.10 2knf s ASP 73 Ca -0.08 -0.61 -0.03 0.00 -0.52 0.00 0.00 52.55 51.31 2knf s ASP 73 Cb -0.03 0.53 -0.04 0.00 -1.46 0.00 0.00 42.92 41.91 2knf s ASP 73 CO -0.03 -1.00 0.57 -0.31 0.52 0.00 0.00 175.17 174.92 2knf s TYR 74 N -3.90 3.49 0.45 -5.34 1.51 -1.26 -1.23 117.35 111.07 2knf s TYR 74 Ca 0.12 0.57 0.08 0.00 -1.01 0.00 0.00 57.07 56.83 2knf s TYR 74 Cb 0.00 -2.06 0.00 0.00 -0.11 0.00 0.00 41.96 39.80 2knf s TYR 74 CO -0.02 0.12 0.48 0.00 -1.11 0.00 0.00 175.55 175.02 2knf n ASP 76 N -1.72 4.63 -4.68 0.00 2.03 -1.25 -4.56 116.55 110.99 2knf n ASP 76 Ca 0.06 -3.67 -0.35 0.00 0.52 0.00 0.00 54.79 51.35 2knf n ASP 76 Cb 0.61 -0.61 -0.09 0.00 -0.72 0.00 0.00 41.12 40.32 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 -4.33 5.03 0.94 5.18 0.11 -1.26 -5.06 120.40 121.01 2knf s VAL 77 Ca 0.48 0.05 -0.10 0.00 -2.93 0.00 0.00 61.98 59.48 2knf s VAL 77 Cb 0.27 -3.27 0.16 0.00 -1.53 0.00 0.00 36.38 32.00 2knf s VAL 77 CO -0.13 0.46 1.14 -2.16 -3.33 0.00 0.00 175.10 171.08 2knf s PRO 78 N 0.30 0.77 -0.37 1.54 0.04 -1.26 -4.48 135.00 131.53 2knf s PRO 78 Ca 0.05 1.50 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 2knf s PRO 78 Cb -0.12 -1.70 0.01 0.00 0.04 0.00 0.00 34.50 32.73 2knf s PRO 78 CO -0.01 -2.78 1.35 -1.14 0.04 0.00 0.00 177.00 174.46 2knf s GLN 79 N -4.62 3.72 0.05 4.56 2.00 -1.26 -0.20 119.66 123.90 2knf s GLN 79 Ca 0.67 1.03 -0.16 0.00 -2.00 0.00 0.00 55.36 54.90 2knf s GLN 79 Cb -0.23 -3.96 -0.24 0.00 0.80 0.00 0.00 33.01 29.38 2knf s GLN 79 CO 0.59 -1.38 1.15 0.00 -0.50 0.00 0.00 175.29 175.15 2knf n ALA 81 N -2.63 6.72 0.84 0.00 0.00 -1.19 -4.96 120.51 119.29 2knf n ALA 81 Ca -0.11 -3.95 0.10 0.00 0.00 0.00 0.00 53.44 49.48 2knf n ALA 81 Cb 0.81 -3.03 0.08 0.00 0.00 0.00 0.00 19.45 17.32 2knf n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50