#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 0.63 -1.79 6.43 5.15 -1.26 -4.90 115.26 119.52 2knf n ASN -3 Ca 0.00 -0.72 -0.14 0.00 -0.60 0.00 0.00 54.58 53.11 2knf n ASN -3 Cb 0.00 -0.03 0.01 0.00 -0.53 0.00 0.00 39.78 39.23 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 -0.81 -0.50 -1.20 5.20 0.00 -1.26 -4.86 120.51 117.07 2knf n ALA -2 Ca 0.15 0.14 -0.24 0.00 0.00 0.00 0.00 53.44 53.50 2knf n ALA -2 Cb 0.29 -2.08 -0.10 0.00 0.00 0.00 0.00 19.45 17.55 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 6.69 -3.70 0.00 2.03 -1.26 -3.24 116.55 116.23 2knf n ASP -1 Ca -0.13 -2.60 -0.11 0.00 0.52 0.00 0.00 54.79 52.47 2knf n ASP -1 Cb 0.61 -1.45 -0.06 0.00 -0.72 0.00 0.00 41.12 39.50 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 -3.26 3.57 -0.50 0.00 0.23 0.86 -4.19 119.30 116.00 2knf s MET 2 Ca -0.00 -0.04 -0.14 0.00 -1.03 0.00 0.00 55.69 54.47 2knf s MET 2 Cb 0.01 -3.14 0.10 0.00 -1.53 0.00 0.00 34.83 30.28 2knf s MET 2 CO -0.08 0.70 0.42 -0.06 -2.03 0.00 0.00 175.02 173.98 2knf s PHE 3 N -1.17 3.28 0.00 3.16 0.40 -1.26 0.12 117.98 122.50 2knf s PHE 3 Ca 0.22 -1.25 0.00 0.00 -0.60 0.00 0.00 56.93 55.30 2knf s PHE 3 Cb -0.13 -3.47 0.00 0.00 0.51 0.00 0.00 43.02 39.93 2knf s PHE 3 CO 0.12 -0.92 0.00 0.41 0.70 0.00 0.00 175.22 175.52 2knf n GLY 4 N 5.16 1.95 0.13 4.36 0.00 -1.26 -3.10 105.19 112.44 2knf n GLY 4 Ca -0.12 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.47 115.58 114.18 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 0.36 0.00 0.61 -1.65 0.00 0.00 177.43 176.75 2knf n GLY 6 N 1.25 1.38 0.25 2.83 0.00 -1.18 -1.20 105.19 108.52 2knf n GLY 6 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 0.94 0.61 -0.37 1.61 1.57 -1.74 -2.46 116.57 116.74 2knf h LYS 7 Ca 0.00 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 2knf h LYS 7 Cb 0.00 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 2knf h LYS 7 CO 0.00 0.82 0.00 0.41 -0.57 0.00 0.00 179.45 180.12 2knf n GLY 8 N -0.25 3.74 3.56 3.86 0.00 -1.26 -4.80 105.19 110.03 2knf n GLY 8 Ca -0.00 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.83 1.50 -0.66 1.61 5.04 -0.94 -4.63 117.35 116.44 2knf s TYR 9 Ca 0.46 0.98 0.00 0.00 -2.44 0.00 0.00 57.07 56.08 2knf s TYR 9 Cb 0.37 -3.95 0.40 0.00 0.35 0.00 0.00 41.96 39.13 2knf s TYR 9 CO 0.11 -2.52 1.75 0.54 -1.34 0.00 0.00 175.55 174.09 2knf n ARG 10 N 9.02 2.97 0.00 4.97 3.00 -1.26 -4.89 116.66 130.47 2knf n ARG 10 Ca 0.26 -3.74 0.00 0.00 -0.01 0.00 0.00 57.85 54.36 2knf n ARG 10 Cb 0.52 -2.27 0.00 0.00 0.00 0.00 0.00 32.46 30.71 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 -0.64 2.39 0.71 -0.13 0.00 -1.20 -4.59 105.19 101.73 2knf n GLY 11 Ca 0.52 -2.01 -0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.03 1.61 2.85 -1.26 -4.82 118.16 114.51 2knf n LYS 12 Ca 0.00 -0.79 -0.41 0.00 -1.05 0.00 0.00 58.31 56.06 2knf n LYS 12 Cb 0.00 -0.11 -0.02 0.00 -0.65 0.00 0.00 35.03 34.25 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 4.28 -0.03 -1.58 1.81 -1.26 -4.80 118.95 117.37 2knf s ARG 13 Ca 0.05 2.31 0.25 0.00 -1.72 0.00 0.00 55.73 56.62 2knf s ARG 13 Cb 0.06 -3.06 0.44 0.00 -0.45 0.00 0.00 34.95 31.94 2knf s ARG 13 CO -0.02 -0.31 1.17 1.33 -0.68 0.00 0.00 175.30 176.79 2knf n VAL 14 N 1.02 0.23 -3.75 3.52 0.24 -1.26 0.81 118.33 119.15 2knf n VAL 14 Ca 0.01 -1.29 -0.13 0.00 -2.04 0.00 0.00 64.34 60.90 2knf n VAL 14 Cb 0.41 0.94 -0.10 0.00 -1.47 0.00 0.00 33.84 33.62 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 -0.49 0.01 0.77 3.34 2.01 -1.26 -0.90 115.64 119.12 2knf s THR 15 Ca 0.34 -0.11 -0.13 0.00 0.31 0.00 0.00 61.69 62.10 2knf s THR 15 Cb 0.38 -0.55 0.18 0.00 0.01 0.00 0.00 72.50 72.53 2knf s THR 15 CO -0.15 -0.06 0.86 0.35 -0.69 0.00 0.00 174.62 174.93 2knf n THR 16 N 2.49 0.00 0.31 -0.82 -2.24 0.94 -3.96 114.28 111.00 2knf n THR 16 Ca -0.15 -0.53 0.20 0.00 -2.27 0.00 0.00 64.05 61.30 2knf n THR 16 Cb 0.57 -1.43 0.97 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.92 0.00 0.00 2.28 -1.51 0.42 -0.03 116.25 115.48 2knf h VAL 17 Ca -0.30 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 2knf h VAL 17 Cb 0.85 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 2knf h VAL 17 CO 0.20 0.00 -0.81 0.35 -1.23 0.00 0.00 177.57 176.09 2knf n THR 18 N -2.99 0.08 -0.66 7.19 -2.24 -1.26 -4.92 114.28 109.48 2knf n THR 18 Ca -0.01 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2knf n THR 18 Cb 0.15 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 1.44 0.65 3.66 3.38 0.00 -0.03 -5.03 105.19 109.26 2knf n GLY 19 Ca 0.04 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 4.41 -0.09 2.61 2.01 -1.26 -4.65 115.64 116.66 2knf s THR 20 Ca 0.00 1.69 -0.37 0.00 0.31 0.00 0.00 61.69 63.32 2knf s THR 20 Cb 0.00 -4.11 -0.15 0.00 0.01 0.00 0.00 72.50 68.25 2knf s THR 20 CO 0.00 -0.17 1.66 -2.65 -0.69 0.00 0.00 174.62 172.77 2knf n PRO 21 N 6.55 1.52 -1.99 4.92 -0.02 -1.26 -0.04 135.00 144.68 2knf n PRO 21 Ca 0.13 0.55 -0.41 0.00 -2.02 0.00 0.00 63.50 61.76 2knf n PRO 21 Cb 0.45 -2.28 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 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 -1.68 1.32 -0.03 0.00 0.74 0.41 -4.69 119.66 115.72 2knf s GLN 23 Ca 0.52 0.69 -0.30 0.00 0.05 0.00 0.00 55.36 56.32 2knf s GLN 23 Cb -0.43 -1.83 -0.03 0.00 1.10 0.00 0.00 33.01 31.83 2knf s GLN 23 CO 0.55 -2.16 1.11 0.34 -0.55 0.00 0.00 175.29 174.57 2knf s ASP 24 N -3.59 7.17 0.52 6.67 -1.08 -1.26 -4.37 116.67 120.74 2knf s ASP 24 Ca 0.63 1.76 0.21 0.00 -0.52 0.00 0.00 52.55 54.63 2knf s ASP 24 Cb -0.17 -2.56 1.34 0.00 -1.46 0.00 0.00 42.92 40.06 2knf s ASP 24 CO 0.56 -0.46 2.07 -0.50 0.52 0.00 0.00 175.17 177.36 2knf h TRP 25 N 7.09 0.00 0.00 -5.34 4.06 -1.55 0.25 115.95 120.47 2knf h TRP 25 Ca -0.36 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.59 2knf h TRP 25 Cb 1.18 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.34 2knf h TRP 25 CO 0.70 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 175.58 2knf h ALA 26 N 1.86 1.00 -2.73 1.49 0.00 -1.83 -3.37 119.26 115.68 2knf h ALA 26 Ca 0.14 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.47 2knf h ALA 26 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2knf h ALA 26 CO -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 179.25 178.92 2knf s ALA 27 N -3.22 3.81 -0.45 0.00 0.00 0.88 -4.95 121.76 117.83 2knf s ALA 27 Ca 0.07 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 51.48 2knf s ALA 27 Cb 0.08 -2.10 0.58 0.00 0.00 0.00 0.00 23.12 21.67 2knf s ALA 27 CO 0.63 0.67 1.80 1.04 0.00 0.00 0.00 175.76 179.90 2knf n GLN 28 N 0.06 2.31 -3.68 0.00 1.13 -1.26 -4.59 117.38 111.36 2knf n GLN 28 Ca -0.03 -3.17 -0.14 0.00 -1.94 0.00 0.00 57.00 51.72 2knf n GLN 28 Cb 0.52 -2.12 -0.14 0.00 0.11 0.00 0.00 30.24 28.61 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 -3.41 0.13 -0.12 -1.09 2.02 -1.26 -1.31 118.70 113.66 2knf s GLU 29 Ca 0.55 0.65 0.03 0.00 0.02 0.00 0.00 54.97 56.23 2knf s GLU 29 Cb 0.47 -0.11 0.25 0.00 0.10 0.00 0.00 34.13 34.84 2knf s GLU 29 CO 0.05 -0.27 1.12 -0.35 0.02 0.00 0.00 175.26 175.84 2knf n PRO 30 N 5.11 1.85 -3.88 0.39 -0.05 -1.26 -4.63 135.00 132.53 2knf n PRO 30 Ca -0.10 -1.03 -0.30 0.00 -0.05 0.00 0.00 63.50 62.02 2knf n PRO 30 Cb 0.50 -1.57 -0.16 0.00 -0.05 0.00 0.00 33.50 32.23 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 -1.34 2.06 -0.14 0.54 3.76 -1.08 -5.01 115.29 114.08 2knf s HIS 31 Ca 0.19 -1.59 -0.29 0.00 -0.15 0.00 0.00 55.06 53.21 2knf s HIS 31 Cb 0.15 -1.51 -0.02 0.00 1.11 0.00 0.00 32.58 32.31 2knf s HIS 31 CO 0.04 -0.75 1.32 -0.98 -0.85 0.00 0.00 174.74 173.52 2knf s ARG 32 N 1.51 4.24 -0.31 1.40 1.04 -0.42 -4.08 118.95 122.32 2knf s ARG 32 Ca -0.03 1.75 0.01 0.00 -1.04 0.00 0.00 55.73 56.42 2knf s ARG 32 Cb -0.18 -3.77 0.15 0.00 -2.04 0.00 0.00 34.95 29.10 2knf s ARG 32 CO -0.08 -0.70 0.34 -3.38 -0.04 0.00 0.00 175.30 171.44 2knf s HIS 33 N 3.44 -0.59 -0.15 5.89 -3.43 -1.26 -4.99 115.29 114.21 2knf s HIS 33 Ca 0.58 -0.16 0.00 0.00 -0.80 0.00 0.00 55.06 54.67 2knf s HIS 33 Cb -0.24 -0.37 0.00 0.00 -1.43 0.00 0.00 32.58 30.55 2knf s HIS 33 CO 0.18 -0.95 0.82 0.43 -2.00 0.00 0.00 174.74 173.22 2knf n SER 34 N 5.12 2.40 -3.96 7.38 7.64 -1.26 -4.74 113.62 126.20 2knf n SER 34 Ca 0.01 -1.78 -0.09 0.00 1.01 0.00 0.00 58.87 58.02 2knf n SER 34 Cb 0.47 -0.44 -0.10 0.00 -1.01 0.00 0.00 64.21 63.12 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 -0.05 0.12 -1.38 0.44 -4.36 -1.26 -4.84 121.20 109.86 2knf s ILE 35 Ca 0.00 -0.96 -0.03 0.00 -0.26 0.00 0.00 60.65 59.40 2knf s ILE 35 Cb 0.00 -0.48 0.02 0.00 1.25 0.00 0.00 42.46 43.25 2knf s ILE 35 CO 0.00 -0.53 0.68 0.49 0.24 0.00 0.00 174.94 175.82 2knf n PHE 36 N 1.34 -1.91 -3.06 1.37 3.72 -1.26 -5.01 117.46 112.65 2knf n PHE 36 Ca -0.22 0.83 -0.19 0.00 -0.05 0.00 0.00 57.45 57.81 2knf n PHE 36 Cb 0.56 -4.13 0.04 0.00 -0.94 0.00 0.00 39.48 35.02 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 2.38 -0.82 4.37 -4.23 -1.26 -4.79 115.64 107.61 2knf s THR 37 Ca 0.14 -1.02 0.18 0.00 -1.18 0.00 0.00 61.69 59.81 2knf s THR 37 Cb -0.07 -2.39 0.17 0.00 1.34 0.00 0.00 72.50 71.55 2knf s THR 37 CO 0.84 0.00 1.57 -2.65 -0.54 0.00 0.00 174.62 173.84 2knf n PRO 38 N -2.11 0.07 -0.04 3.99 -0.02 -1.24 -1.32 135.00 134.33 2knf n PRO 38 Ca 0.13 0.29 -0.10 0.00 -2.02 0.00 0.00 63.50 61.80 2knf n PRO 38 Cb 0.61 -1.63 -0.14 0.00 -0.02 0.00 0.00 33.50 32.32 2knf n PRO 38 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2knf n GLU 39 N -1.76 0.66 0.00 -0.52 -0.58 -1.26 -3.78 120.64 113.40 2knf n GLU 39 Ca 0.03 0.22 0.11 0.00 -0.42 0.00 0.00 57.16 57.10 2knf n GLU 39 Cb 0.20 -1.71 -0.15 0.00 -0.57 0.00 0.00 31.44 29.21 2knf n GLU 39 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2knf n THR 40 N -3.02 0.06 -3.03 2.62 -2.24 -1.17 -4.64 114.28 102.86 2knf n THR 40 Ca -0.23 -0.50 -0.19 0.00 -2.27 0.00 0.00 64.05 60.87 2knf n THR 40 Cb 1.08 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.27 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 -2.29 1.75 -0.30 3.42 4.13 -0.43 -4.90 115.26 116.64 2knf n ASN 41 Ca -0.03 -3.11 0.00 0.00 1.68 0.00 0.00 54.58 53.11 2knf n ASN 41 Cb 0.56 -0.59 0.00 0.00 -1.54 0.00 0.00 39.78 38.22 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 0.10 0.49 -0.00 3.52 -0.02 -1.25 -2.69 135.00 135.15 2knf n PRO 42 Ca 0.24 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.83 2knf n PRO 42 Cb 0.64 -1.15 -0.15 0.00 -0.02 0.00 0.00 33.50 32.82 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 -0.05 0.52 -0.01 -0.52 1.85 -1.26 -4.36 116.66 112.82 2knf n ARG 43 Ca 0.00 -0.15 0.01 0.00 -1.00 0.00 0.00 57.85 56.71 2knf n ARG 43 Cb 0.07 -1.53 0.02 0.00 -1.05 0.00 0.00 32.46 29.97 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 -2.09 2.34 -3.22 2.89 0.00 -1.09 -5.01 120.51 114.32 2knf n ALA 44 Ca -0.02 -0.69 -0.15 0.00 0.00 0.00 0.00 53.44 52.57 2knf n ALA 44 Cb 0.52 -0.08 0.07 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.02 -0.21 2.73 0.00 0.00 -1.25 -4.85 105.19 101.59 2knf n GLY 45 Ca 0.02 0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.70 6.47 -4.94 0.99 4.32 -1.26 -4.92 117.00 113.96 2knf n LEU 46 Ca -0.15 -3.83 -0.24 0.00 -0.02 0.00 0.00 56.01 51.77 2knf n LEU 46 Cb 0.61 -1.49 -0.02 0.00 -1.62 0.00 0.00 43.42 40.90 2knf n LEU 46 CO 0.50 0.93 0.03 -1.83 -1.22 0.00 0.00 177.39 175.80 2knf s GLU 47 N 3.42 3.48 4.83 3.23 -1.05 -1.26 -3.59 118.70 127.75 2knf s GLU 47 Ca 0.53 -0.48 0.00 0.00 -0.15 0.00 0.00 54.97 54.86 2knf s GLU 47 Cb 0.14 -2.82 0.00 0.00 -0.44 0.00 0.00 34.13 31.02 2knf s GLU 47 CO -0.04 0.35 0.00 1.63 0.95 0.00 0.00 175.26 178.16 2knf n LYS 48 N -1.16 0.00 -0.51 -4.83 4.76 -1.26 -2.14 118.16 113.02 2knf n LYS 48 Ca -0.06 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.43 2knf n LYS 48 Cb 0.55 0.00 0.09 0.00 -1.84 0.00 0.00 35.03 33.83 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 4.67 1.31 -4.68 4.39 6.94 -1.26 -1.52 115.26 125.11 2knf n ASN 49 Ca 0.00 -2.73 -0.42 0.00 -0.02 0.00 0.00 54.58 51.40 2knf n ASN 49 Cb 0.00 -0.36 -0.03 0.00 -2.36 0.00 0.00 39.78 37.04 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 -1.62 2.24 0.63 -2.53 2.02 -0.91 -4.49 117.35 112.68 2knf s TYR 50 Ca 0.23 0.27 -0.17 0.00 -0.37 0.00 0.00 57.07 57.03 2knf s TYR 50 Cb 0.22 -3.94 -0.07 0.00 -0.40 0.00 0.00 41.96 37.77 2knf s TYR 50 CO -0.03 -3.86 0.55 0.00 -1.57 0.00 0.00 175.55 170.65 2knf s ARG 52 N -2.37 1.77 -0.53 0.00 1.81 -0.38 -4.79 118.95 114.47 2knf s ARG 52 Ca 0.68 -1.12 0.05 0.00 -1.72 0.00 0.00 55.73 53.63 2knf s ARG 52 Cb -0.41 0.57 0.20 0.00 -0.45 0.00 0.00 34.95 34.86 2knf s ARG 52 CO 0.55 -0.79 0.48 -1.71 -0.68 0.00 0.00 175.30 173.14 2knf n ASN 53 N -0.55 1.26 0.18 0.23 2.85 -1.10 -0.01 115.26 118.11 2knf n ASN 53 Ca -0.04 -2.83 0.13 0.00 -0.11 0.00 0.00 54.58 51.74 2knf n ASN 53 Cb 0.60 -0.64 0.60 0.00 1.24 0.00 0.00 39.78 41.57 2knf n ASN 53 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2knf h PRO 54 N 5.06 0.00 0.00 1.20 0.13 -1.92 -1.21 132.00 135.25 2knf h PRO 54 Ca 0.19 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.12 2knf h PRO 54 Cb 0.82 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.92 2knf h PRO 54 CO 0.55 0.00 -1.90 -3.47 -0.23 0.00 0.00 178.00 172.96 2knf n ASP 55 N -2.44 0.36 -3.03 1.44 -0.08 -1.26 -4.97 116.55 106.57 2knf n ASP 55 Ca 0.01 0.16 -0.20 0.00 -1.51 0.00 0.00 54.79 53.25 2knf n ASP 55 Cb 0.18 0.87 0.06 0.00 2.34 0.00 0.00 41.12 44.58 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 1.49 -0.31 3.54 0.27 0.00 -0.46 -4.93 105.19 104.80 2knf n GLY 56 Ca -0.17 0.09 -0.54 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.23 0.83 -1.30 1.61 2.03 -1.26 -4.78 116.55 111.44 2knf n ASP 57 Ca -0.00 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.45 2knf n ASP 57 Cb 0.56 -1.08 0.00 0.00 -0.72 0.00 0.00 41.12 39.87 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 1.21 0.00 5.18 0.31 -1.26 -1.58 118.33 124.00 2knf n VAL 58 Ca 0.18 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2knf n VAL 58 Cb 0.16 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 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 1.11 0.17 0.00 2.92 0.00 -1.26 -5.13 105.19 102.99 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 1.56 0.90 3.79 -0.02 0.00 -0.62 -5.07 105.19 105.73 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 -0.98 3.60 0.02 1.61 0.04 -0.34 -4.57 135.00 134.38 2knf s PRO 61 Ca 0.00 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.42 2knf s PRO 61 Cb 0.00 -2.06 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 2knf s PRO 61 CO 0.00 -0.60 0.02 -2.67 0.04 0.00 0.00 177.00 173.79 2knf n TRP 62 N -1.26 -0.28 -3.88 0.56 4.27 0.99 -1.35 117.44 116.49 2knf n TRP 62 Ca 0.10 -0.13 -0.03 0.00 -3.89 0.00 0.00 57.50 53.55 2knf n TRP 62 Cb 0.52 0.02 0.02 0.00 -1.36 0.00 0.00 31.31 30.51 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 -2.34 3.47 0.00 0.00 2.02 -1.26 -1.72 117.35 117.52 2knf s TYR 64 Ca 0.22 0.29 -0.01 0.00 -0.37 0.00 0.00 57.07 57.20 2knf s TYR 64 Cb -0.03 -1.79 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 2knf s TYR 64 CO 0.05 0.61 0.12 0.95 -1.57 0.00 0.00 175.55 175.71 2knf s THR 65 N -1.33 4.96 -0.92 -0.71 -4.23 -0.32 0.15 115.64 113.25 2knf s THR 65 Ca 0.28 -0.36 0.01 0.00 -1.18 0.00 0.00 61.69 60.44 2knf s THR 65 Cb -0.13 -3.30 0.05 0.00 1.34 0.00 0.00 72.50 70.46 2knf s THR 65 CO 0.19 0.32 0.60 0.35 -0.54 0.00 0.00 174.62 175.54 2knf n THR 66 N 1.02 0.21 -3.57 3.99 -2.24 -0.38 -4.58 114.28 108.73 2knf n THR 66 Ca -0.12 -0.09 -0.38 0.00 -2.27 0.00 0.00 64.05 61.20 2knf n THR 66 Cb 0.52 -0.51 -0.10 0.00 -2.10 0.00 0.00 70.33 68.14 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 -0.01 6.07 0.00 3.42 3.84 -1.26 -4.84 114.94 122.15 2knf s ASN 67 Ca 0.03 0.05 0.06 0.00 0.21 0.00 0.00 52.86 53.21 2knf s ASN 67 Cb 0.03 -2.13 0.34 0.00 -0.55 0.00 0.00 41.25 38.94 2knf s ASN 67 CO 0.01 -0.05 0.74 -2.65 -2.79 0.00 0.00 177.10 172.36 2knf n PRO 68 N 4.97 0.35 -0.06 0.43 -0.02 -1.26 -2.54 135.00 136.86 2knf n PRO 68 Ca -0.13 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.30 2knf n PRO 68 Cb 0.52 -1.26 -0.03 0.00 -0.02 0.00 0.00 33.50 32.72 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 -6.26 -0.52 2.47 -1.96 -3.49 114.38 104.62 2knf h ARG 69 Ca 0.00 0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 58.11 2knf h ARG 69 Cb 0.00 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 28.18 2knf h ARG 69 CO 0.00 0.17 -0.76 -1.59 0.56 0.00 0.00 179.97 178.35 2knf s LYS 70 N -1.95 1.70 -0.15 0.04 -2.85 -1.05 -5.06 119.74 110.42 2knf s LYS 70 Ca -0.10 -1.72 -0.17 0.00 -1.00 0.00 0.00 55.97 52.98 2knf s LYS 70 Cb 0.01 -1.81 -0.24 0.00 -2.06 0.00 0.00 37.83 33.74 2knf s LYS 70 CO 0.20 0.34 0.41 1.25 0.10 0.00 0.00 175.35 177.65 2knf h LEU 71 N 2.36 0.22 -7.97 2.77 5.85 -1.89 -3.41 115.31 113.24 2knf h LEU 71 Ca -0.41 -0.75 -0.12 0.00 0.84 0.00 0.00 57.88 57.43 2knf h LEU 71 Cb 1.25 -0.07 -0.17 0.00 0.37 0.00 0.00 40.66 42.04 2knf h LEU 71 CO 0.59 1.58 -0.55 -0.72 -0.34 0.00 0.00 178.44 178.99 2knf s TYR 72 N -2.43 0.27 0.30 1.25 1.13 -1.26 -1.17 117.35 115.44 2knf s TYR 72 Ca -0.24 -0.65 -0.13 0.00 -1.41 0.00 0.00 57.07 54.65 2knf s TYR 72 Cb 0.05 -0.19 0.01 0.00 -1.10 0.00 0.00 41.96 40.73 2knf s TYR 72 CO 0.70 -0.38 0.59 0.34 -2.51 0.00 0.00 175.55 174.28 2knf s ASP 73 N -2.36 0.08 0.33 -0.18 2.15 -0.70 -4.87 116.67 111.12 2knf s ASP 73 Ca -0.02 -1.01 -0.02 0.00 0.43 0.00 0.00 52.55 51.93 2knf s ASP 73 Cb 0.01 0.68 -0.04 0.00 -0.30 0.00 0.00 42.92 43.27 2knf s ASP 73 CO -0.06 -1.32 0.56 -0.31 -0.17 0.00 0.00 175.17 173.86 2knf s TYR 74 N -3.47 3.50 0.29 -5.34 1.51 -1.26 -0.86 117.35 111.71 2knf s TYR 74 Ca 0.20 0.48 0.07 0.00 -1.01 0.00 0.00 57.07 56.82 2knf s TYR 74 Cb -0.03 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.80 2knf s TYR 74 CO 0.11 0.12 0.26 0.00 -1.11 0.00 0.00 175.55 174.94 2knf n ASP 76 N -1.30 4.35 -4.67 0.00 5.75 -1.25 -4.62 116.55 114.81 2knf n ASP 76 Ca -0.05 -3.30 -0.43 0.00 -0.01 0.00 0.00 54.79 51.01 2knf n ASP 76 Cb 0.59 -0.82 -0.02 0.00 -1.03 0.00 0.00 41.12 39.83 2knf n ASP 76 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2knf s VAL 77 N -2.81 4.74 0.95 2.12 0.11 -1.26 -5.00 120.40 119.25 2knf s VAL 77 Ca 0.45 1.99 -0.11 0.00 -2.93 0.00 0.00 61.98 61.39 2knf s VAL 77 Cb 0.38 -4.29 0.16 0.00 -1.53 0.00 0.00 36.38 31.10 2knf s VAL 77 CO 0.07 -0.08 1.11 -2.16 -3.33 0.00 0.00 175.10 170.70 2knf s PRO 78 N 2.60 0.78 -0.37 1.54 0.04 -1.26 -4.45 135.00 133.87 2knf s PRO 78 Ca 0.45 1.24 -0.29 0.00 0.04 0.00 0.00 61.00 62.45 2knf s PRO 78 Cb -0.17 -1.72 -0.00 0.00 0.04 0.00 0.00 34.50 32.65 2knf s PRO 78 CO 0.12 -2.69 1.54 -1.14 0.04 0.00 0.00 177.00 174.86 2knf s GLN 79 N -4.68 3.52 0.05 4.56 2.00 -1.26 -0.10 119.66 123.75 2knf s GLN 79 Ca 0.66 1.13 -0.16 0.00 -2.00 0.00 0.00 55.36 54.99 2knf s GLN 79 Cb -0.22 -4.08 -0.22 0.00 0.80 0.00 0.00 33.01 29.30 2knf s GLN 79 CO 0.59 -1.63 1.18 0.00 -0.50 0.00 0.00 175.29 174.93 2knf n ALA 81 N -2.61 5.71 1.65 0.00 0.00 -1.19 -4.95 120.51 119.12 2knf n ALA 81 Ca -0.10 -1.86 0.15 0.00 0.00 0.00 0.00 53.44 51.63 2knf n ALA 81 Cb 0.77 -1.82 0.66 0.00 0.00 0.00 0.00 19.45 19.05 2knf n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50