#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 2.90 0.00 4.04 5.15 -1.26 -4.86 115.26 121.23 2knf n ASN -3 Ca 0.00 -1.99 0.00 0.00 -0.60 0.00 0.00 54.58 51.99 2knf n ASN -3 Cb 0.00 -0.35 0.00 0.00 -0.53 0.00 0.00 39.78 38.90 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 1.09 0.00 -1.82 5.20 0.00 -1.26 -4.89 120.51 118.83 2knf n ALA -2 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.22 2knf n ALA -2 Cb 0.46 -0.53 -0.01 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.13 7.05 -3.52 0.00 2.03 -1.26 -1.96 116.55 118.76 2knf n ASP -1 Ca 0.00 -2.92 -0.17 0.00 0.52 0.00 0.00 54.79 52.22 2knf n ASP -1 Cb 0.07 -1.49 -0.06 0.00 -0.72 0.00 0.00 41.12 38.92 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 -1.31 3.53 -0.46 0.00 0.23 0.88 -3.93 119.30 118.24 2knf s MET 2 Ca -0.10 -0.30 -0.06 0.00 -1.03 0.00 0.00 55.69 54.20 2knf s MET 2 Cb -0.00 -2.87 0.12 0.00 -1.53 0.00 0.00 34.83 30.55 2knf s MET 2 CO 0.08 0.44 0.30 -0.06 -2.03 0.00 0.00 175.02 173.76 2knf s PHE 3 N -1.77 3.50 0.00 3.16 0.40 -1.26 0.18 117.98 122.18 2knf s PHE 3 Ca 0.38 -2.15 0.00 0.00 -0.60 0.00 0.00 56.93 54.57 2knf s PHE 3 Cb -0.11 -3.38 0.00 0.00 0.51 0.00 0.00 43.02 40.03 2knf s PHE 3 CO 0.28 -0.98 0.00 0.41 0.70 0.00 0.00 175.22 175.63 2knf n GLY 4 N 4.68 1.52 0.08 4.36 0.00 -1.26 -2.71 105.19 111.86 2knf n GLY 4 Ca -0.04 0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 0.04 0.00 1.61 2.35 -1.91 -3.46 115.58 114.22 2knf h ASN 5 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2knf h ASN 5 Cb 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.36 2knf h ASN 5 CO 0.00 0.94 0.00 0.61 -1.65 0.00 0.00 177.43 177.33 2knf n GLY 6 N 1.09 1.69 0.23 2.83 0.00 -1.10 -1.20 105.19 108.72 2knf n GLY 6 Ca -0.01 0.00 -0.15 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 0.79 -0.63 1.61 1.57 -1.75 -2.60 116.57 115.57 2knf h LYS 7 Ca 0.00 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 2knf h LYS 7 Cb 0.00 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2knf h LYS 7 CO 0.00 1.14 0.00 0.41 -0.57 0.00 0.00 179.45 180.43 2knf n GLY 8 N 0.41 2.83 3.57 3.86 0.00 -1.26 -4.82 105.19 109.78 2knf n GLY 8 Ca -0.05 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.29 1.27 -0.48 1.61 5.04 -1.00 -4.66 117.35 116.85 2knf s TYR 9 Ca 0.53 1.06 0.03 0.00 -2.44 0.00 0.00 57.07 56.25 2knf s TYR 9 Cb 0.37 -3.81 0.50 0.00 0.35 0.00 0.00 41.96 39.37 2knf s TYR 9 CO 0.20 -2.99 1.72 0.54 -1.34 0.00 0.00 175.55 173.69 2knf n ARG 10 N 8.90 2.64 -0.13 4.97 3.00 -1.23 -4.86 116.66 129.95 2knf n ARG 10 Ca 0.31 -3.41 0.00 0.00 -0.01 0.00 0.00 57.85 54.74 2knf n ARG 10 Cb 0.51 -2.18 0.00 0.00 0.00 0.00 0.00 32.46 30.79 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 -0.96 1.13 0.40 -0.13 0.00 -0.83 -4.42 105.19 100.38 2knf n GLY 11 Ca 0.53 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.18 0.00 -2.06 1.61 2.85 -1.26 -4.76 118.16 114.37 2knf n LYS 12 Ca 0.00 -0.84 -0.41 0.00 -1.05 0.00 0.00 58.31 56.01 2knf n LYS 12 Cb 0.00 -0.47 -0.02 0.00 -0.65 0.00 0.00 35.03 33.89 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 4.30 -0.27 -1.58 1.81 -1.26 -4.79 118.95 117.17 2knf s ARG 13 Ca 0.00 2.27 0.21 0.00 -1.72 0.00 0.00 55.73 56.49 2knf s ARG 13 Cb 0.00 -3.08 0.50 0.00 -0.45 0.00 0.00 34.95 31.92 2knf s ARG 13 CO 0.00 -0.30 1.10 1.33 -0.68 0.00 0.00 175.30 176.76 2knf n VAL 14 N 1.31 1.38 -3.72 3.52 0.24 -1.26 1.00 118.33 120.79 2knf n VAL 14 Ca 0.02 -3.08 -0.14 0.00 -2.04 0.00 0.00 64.34 59.11 2knf n VAL 14 Cb 0.41 0.99 -0.08 0.00 -1.47 0.00 0.00 33.84 33.69 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 -3.84 0.04 0.43 3.34 -4.23 -1.26 -1.95 115.64 108.16 2knf s THR 15 Ca 0.30 -0.36 -0.07 0.00 -1.18 0.00 0.00 61.69 60.38 2knf s THR 15 Cb 0.34 -0.66 0.10 0.00 1.34 0.00 0.00 72.50 73.62 2knf s THR 15 CO -0.03 -0.20 0.48 0.35 -0.54 0.00 0.00 174.62 174.69 2knf n THR 16 N 1.39 0.00 0.30 3.99 -2.24 0.12 -4.20 114.28 113.64 2knf n THR 16 Ca -0.20 -0.30 0.17 0.00 -2.27 0.00 0.00 64.05 61.45 2knf n THR 16 Cb 0.56 -1.49 0.84 0.00 -2.10 0.00 0.00 70.33 68.14 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 -1.60 0.00 0.00 2.28 -1.51 0.83 -0.56 116.25 115.69 2knf h VAL 17 Ca -0.17 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 2knf h VAL 17 Cb 0.48 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 2knf h VAL 17 CO 0.11 0.00 -0.96 0.35 -1.23 0.00 0.00 177.57 175.85 2knf n THR 18 N -2.79 0.20 -0.46 7.19 -2.24 -1.26 -4.93 114.28 109.99 2knf n THR 18 Ca -0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2knf n THR 18 Cb 0.15 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 1.36 0.76 3.67 3.38 0.00 -0.22 -5.05 105.19 109.10 2knf n GLY 19 Ca 0.02 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 4.39 -0.13 2.61 2.01 -1.26 -4.62 115.64 116.64 2knf s THR 20 Ca 0.00 1.68 -0.39 0.00 0.31 0.00 0.00 61.69 63.29 2knf s THR 20 Cb 0.00 -4.09 -0.17 0.00 0.01 0.00 0.00 72.50 68.26 2knf s THR 20 CO 0.00 -0.10 1.54 -2.65 -0.69 0.00 0.00 174.62 172.72 2knf n PRO 21 N 6.12 1.04 -2.07 4.92 -0.02 -1.26 0.14 135.00 143.87 2knf n PRO 21 Ca 0.12 0.38 -0.40 0.00 -2.02 0.00 0.00 63.50 61.58 2knf n PRO 21 Cb 0.46 -2.03 -0.01 0.00 -0.02 0.00 0.00 33.50 31.90 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 -2.01 1.31 0.02 0.00 0.74 0.36 -4.68 119.66 115.39 2knf s GLN 23 Ca 0.53 0.59 -0.30 0.00 0.05 0.00 0.00 55.36 56.23 2knf s GLN 23 Cb -0.39 -1.83 -0.04 0.00 1.10 0.00 0.00 33.01 31.84 2knf s GLN 23 CO 0.52 -2.15 1.12 0.34 -0.55 0.00 0.00 175.29 174.57 2knf s ASP 24 N -3.70 7.18 0.49 6.67 -1.08 -1.26 -4.33 116.67 120.63 2knf s ASP 24 Ca 0.63 1.85 0.17 0.00 -0.52 0.00 0.00 52.55 54.68 2knf s ASP 24 Cb -0.16 -2.57 1.19 0.00 -1.46 0.00 0.00 42.92 39.92 2knf s ASP 24 CO 0.55 -0.42 2.04 -0.50 0.52 0.00 0.00 175.17 177.37 2knf h TRP 25 N 6.91 0.19 0.00 -5.34 4.06 -1.10 0.23 115.95 120.90 2knf h TRP 25 Ca -0.40 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.56 2knf h TRP 25 Cb 1.21 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 2knf h TRP 25 CO 0.68 0.10 0.00 0.00 -3.56 0.00 0.00 178.44 175.66 2knf h ALA 26 N 1.80 1.00 -2.67 1.49 0.00 -1.86 -3.38 119.26 115.65 2knf h ALA 26 Ca 0.17 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.50 2knf h ALA 26 Cb 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2knf h ALA 26 CO -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 179.25 178.96 2knf s ALA 27 N -3.15 3.73 -0.59 0.00 0.00 0.81 -4.95 121.76 117.61 2knf s ALA 27 Ca 0.09 -0.43 0.16 0.00 0.00 0.00 0.00 51.96 51.77 2knf s ALA 27 Cb 0.10 -2.23 0.58 0.00 0.00 0.00 0.00 23.12 21.57 2knf s ALA 27 CO 0.60 0.60 1.49 1.04 0.00 0.00 0.00 175.76 179.49 2knf n GLN 28 N 0.51 3.42 -3.79 0.00 1.13 -1.26 -4.54 117.38 112.86 2knf n GLN 28 Ca -0.05 -2.75 -0.13 0.00 -1.94 0.00 0.00 57.00 52.14 2knf n GLN 28 Cb 0.52 -1.80 -0.11 0.00 0.11 0.00 0.00 30.24 28.96 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 -2.19 0.41 -0.03 -1.09 2.02 -1.26 -0.68 118.70 115.89 2knf s GLU 29 Ca 0.43 0.16 0.01 0.00 0.02 0.00 0.00 54.97 55.58 2knf s GLU 29 Cb 0.30 0.19 0.06 0.00 0.10 0.00 0.00 34.13 34.78 2knf s GLU 29 CO 0.15 -0.08 0.84 -0.35 0.02 0.00 0.00 175.26 175.84 2knf n PRO 30 N 2.39 1.19 -3.71 0.39 -0.04 -1.26 -4.73 135.00 129.23 2knf n PRO 30 Ca -0.16 -0.23 -0.28 0.00 -0.04 0.00 0.00 63.50 62.79 2knf n PRO 30 Cb 0.57 -1.32 -0.16 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.67 0.94 -0.22 0.54 3.76 -1.20 -5.00 115.29 113.44 2knf s HIS 31 Ca 0.04 -0.87 -0.29 0.00 -0.15 0.00 0.00 55.06 53.79 2knf s HIS 31 Cb 0.03 -1.04 -0.01 0.00 1.11 0.00 0.00 32.58 32.68 2knf s HIS 31 CO 0.01 -0.63 1.28 1.03 -0.85 0.00 0.00 174.74 175.58 2knf s ARG 32 N 1.89 4.09 -0.30 1.40 1.81 0.14 -4.17 118.95 123.82 2knf s ARG 32 Ca 0.01 1.48 -0.00 0.00 -1.72 0.00 0.00 55.73 55.50 2knf s ARG 32 Cb -0.17 -3.81 0.14 0.00 -0.45 0.00 0.00 34.95 30.65 2knf s ARG 32 CO -0.11 -0.89 0.30 -3.38 -0.68 0.00 0.00 175.30 170.54 2knf s HIS 33 N 3.88 -0.43 -0.23 -0.53 -3.43 -1.26 -4.98 115.29 108.32 2knf s HIS 33 Ca 0.55 -0.24 0.00 0.00 -0.80 0.00 0.00 55.06 54.57 2knf s HIS 33 Cb -0.19 -0.47 0.00 0.00 -1.43 0.00 0.00 32.58 30.48 2knf s HIS 33 CO 0.18 -0.92 0.79 0.43 -2.00 0.00 0.00 174.74 173.21 2knf n SER 34 N 5.22 2.26 -3.96 7.38 7.64 -1.26 -4.73 113.62 126.18 2knf n SER 34 Ca -0.01 -1.77 -0.09 0.00 1.01 0.00 0.00 58.87 58.00 2knf n SER 34 Cb 0.46 -0.44 -0.11 0.00 -1.01 0.00 0.00 64.21 63.11 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 -0.14 0.10 -1.42 0.44 -4.36 -1.26 -4.81 121.20 109.75 2knf s ILE 35 Ca 0.00 -0.85 -0.04 0.00 -0.26 0.00 0.00 60.65 59.50 2knf s ILE 35 Cb 0.00 -0.29 0.03 0.00 1.25 0.00 0.00 42.46 43.45 2knf s ILE 35 CO 0.00 -0.47 0.65 0.49 0.24 0.00 0.00 174.94 175.85 2knf n PHE 36 N 1.61 -1.86 -3.08 1.37 3.72 -1.26 -5.00 117.46 112.95 2knf n PHE 36 Ca -0.23 0.81 -0.19 0.00 -0.05 0.00 0.00 57.45 57.79 2knf n PHE 36 Cb 0.55 -3.94 0.04 0.00 -0.94 0.00 0.00 39.48 35.19 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 -3.68 2.39 -1.07 4.37 -4.23 -1.26 -4.81 115.64 107.35 2knf s THR 37 Ca 0.19 -1.03 0.16 0.00 -1.18 0.00 0.00 61.69 59.83 2knf s THR 37 Cb -0.10 -2.42 0.16 0.00 1.34 0.00 0.00 72.50 71.48 2knf s THR 37 CO 0.86 0.00 1.51 -2.65 -0.54 0.00 0.00 174.62 173.80 2knf n PRO 38 N -2.09 0.04 -0.02 3.99 -0.02 -1.26 -1.06 135.00 134.58 2knf n PRO 38 Ca 0.12 0.21 -0.13 0.00 -2.02 0.00 0.00 63.50 61.68 2knf n PRO 38 Cb 0.61 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.45 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 -1.47 0.68 -0.03 -0.52 -0.58 -1.26 -3.69 120.64 113.77 2knf n GLU 39 Ca 0.05 0.26 -0.03 0.00 -0.42 0.00 0.00 57.16 57.02 2knf n GLU 39 Cb 0.18 -1.74 -0.13 0.00 -0.57 0.00 0.00 31.44 29.18 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 -3.18 1.08 -3.12 2.62 -2.24 -1.17 -4.63 114.28 103.65 2knf n THR 40 Ca -0.24 -0.73 -0.21 0.00 -2.27 0.00 0.00 64.05 60.60 2knf n THR 40 Cb 1.06 -0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 68.74 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 -2.73 2.03 -0.67 3.42 4.13 -0.22 -4.92 115.26 116.29 2knf n ASN 41 Ca -0.18 -3.22 0.00 0.00 1.68 0.00 0.00 54.58 52.85 2knf n ASN 41 Cb 0.93 -0.60 0.00 0.00 -1.54 0.00 0.00 39.78 38.57 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 0.16 0.89 -0.01 3.52 -0.04 -1.24 -3.00 135.00 135.28 2knf n PRO 42 Ca 0.27 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.76 2knf n PRO 42 Cb 0.56 -1.31 -0.07 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.23 0.78 -0.30 0.54 1.85 -1.26 -4.54 116.66 113.96 2knf n ARG 43 Ca 0.00 -0.07 0.10 0.00 -1.00 0.00 0.00 57.85 56.88 2knf n ARG 43 Cb 0.30 -1.22 0.27 0.00 -1.05 0.00 0.00 32.46 30.75 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 -3.26 2.89 0.00 -1.16 -4.96 120.51 114.41 2knf n ALA 44 Ca -0.04 -1.23 -0.16 0.00 0.00 0.00 0.00 53.44 52.01 2knf n ALA 44 Cb 0.36 -0.78 0.07 0.00 0.00 0.00 0.00 19.45 19.10 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 1.33 -0.24 3.17 0.00 0.00 -1.26 -4.79 105.19 103.39 2knf n GLY 45 Ca 0.21 0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.80 5.28 -4.81 0.99 4.32 -1.26 -4.92 117.00 112.80 2knf n LEU 46 Ca -0.16 -3.72 -0.37 0.00 -0.02 0.00 0.00 56.01 51.73 2knf n LEU 46 Cb 0.61 -1.60 -0.06 0.00 -1.62 0.00 0.00 43.42 40.75 2knf n LEU 46 CO 0.52 0.17 -0.06 -1.83 -1.22 0.00 0.00 177.39 174.96 2knf s GLU 47 N 4.27 3.85 3.60 3.23 -1.05 -1.26 -4.12 118.70 127.21 2knf s GLU 47 Ca 0.54 0.06 0.00 0.00 -0.15 0.00 0.00 54.97 55.42 2knf s GLU 47 Cb 0.09 -3.28 0.00 0.00 -0.44 0.00 0.00 34.13 30.50 2knf s GLU 47 CO 0.03 0.57 0.00 1.63 0.95 0.00 0.00 175.26 178.44 2knf n LYS 48 N 2.50 0.00 -0.37 -4.83 4.76 -1.26 -2.12 118.16 116.85 2knf n LYS 48 Ca -0.16 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.29 2knf n LYS 48 Cb 0.53 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.74 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 8.27 0.27 -4.72 4.39 6.94 -1.26 -0.50 115.26 128.65 2knf n ASN 49 Ca 0.00 -1.95 -0.42 0.00 -0.02 0.00 0.00 54.58 52.19 2knf n ASN 49 Cb 0.00 -0.19 -0.03 0.00 -2.36 0.00 0.00 39.78 37.20 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 -0.30 3.19 0.60 -2.53 2.02 -0.90 -4.55 117.35 114.87 2knf s TYR 50 Ca 0.03 0.86 -0.18 0.00 -0.37 0.00 0.00 57.07 57.41 2knf s TYR 50 Cb 0.03 -3.76 -0.05 0.00 -0.40 0.00 0.00 41.96 37.78 2knf s TYR 50 CO 0.00 -2.69 0.93 0.00 -1.57 0.00 0.00 175.55 172.22 2knf s ARG 52 N -2.69 1.60 -0.53 0.00 1.81 -0.44 -4.74 118.95 113.97 2knf s ARG 52 Ca 0.75 -1.23 0.05 0.00 -1.72 0.00 0.00 55.73 53.58 2knf s ARG 52 Cb -0.42 0.49 0.19 0.00 -0.45 0.00 0.00 34.95 34.76 2knf s ARG 52 CO 0.48 -0.68 0.46 -1.71 -0.68 0.00 0.00 175.30 173.17 2knf n ASN 53 N -0.43 1.25 0.09 0.23 2.85 -1.11 0.03 115.26 118.18 2knf n ASN 53 Ca -0.02 -2.82 0.10 0.00 -0.11 0.00 0.00 54.58 51.73 2knf n ASN 53 Cb 0.61 -0.65 0.43 0.00 1.24 0.00 0.00 39.78 41.42 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 2.12 0.13 -0.03 1.20 -0.04 -1.26 -1.33 135.00 135.79 2knf n PRO 54 Ca 0.25 0.41 -0.02 0.00 -0.04 0.00 0.00 63.50 64.10 2knf n PRO 54 Cb 0.44 -1.77 -0.14 0.00 -0.04 0.00 0.00 33.50 31.99 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 -2.02 0.28 -3.03 3.54 2.03 -1.26 -4.97 116.55 111.13 2knf n ASP 55 Ca 0.02 0.13 -0.20 0.00 0.52 0.00 0.00 54.79 55.26 2knf n ASP 55 Cb 0.18 0.97 0.06 0.00 -0.72 0.00 0.00 41.12 41.62 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 1.51 -0.32 3.53 0.27 0.00 -0.44 -4.94 105.19 104.80 2knf n GLY 56 Ca -0.18 0.09 -0.53 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.24 0.63 0.00 1.61 -0.08 -1.26 -4.80 116.55 110.40 2knf n ASP 57 Ca -0.01 1.14 0.08 0.00 -1.51 0.00 0.00 54.79 54.49 2knf n ASP 57 Cb 0.56 -1.07 0.45 0.00 2.34 0.00 0.00 41.12 43.40 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 1.58 0.08 0.18 5.18 0.31 -1.26 -1.55 118.33 122.85 2knf n VAL 58 Ca 0.18 0.02 0.11 0.00 -0.01 0.00 0.00 64.34 64.64 2knf n VAL 58 Cb 0.17 -0.78 -0.05 0.00 -0.91 0.00 0.00 33.84 32.27 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 -0.03 -1.25 0.00 2.92 0.00 -1.26 -4.94 105.19 100.64 2knf n GLY 59 Ca 0.11 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 1.25 0.88 3.83 -0.02 0.00 -0.60 -5.06 105.19 105.48 2knf n GLY 60 Ca -0.01 -2.22 -0.32 0.00 0.00 0.00 0.00 46.02 43.47 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 3.38 0.03 1.61 0.04 -0.34 -4.56 135.00 134.19 2knf s PRO 61 Ca 0.00 0.95 -0.00 0.00 0.04 0.00 0.00 61.00 61.98 2knf s PRO 61 Cb 0.00 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2knf s PRO 61 CO 0.00 -0.75 0.04 -2.67 0.04 0.00 0.00 177.00 173.66 2knf n TRP 62 N -2.54 -0.59 -3.84 0.56 4.27 0.10 -0.64 117.44 114.77 2knf n TRP 62 Ca 0.07 -0.18 -0.02 0.00 -3.89 0.00 0.00 57.50 53.47 2knf n TRP 62 Cb 0.54 0.05 0.02 0.00 -1.36 0.00 0.00 31.31 30.55 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 -2.63 3.48 0.06 0.00 2.02 -1.26 -1.73 117.35 117.29 2knf s TYR 64 Ca 0.20 0.28 0.01 0.00 -0.37 0.00 0.00 57.07 57.20 2knf s TYR 64 Cb -0.02 -1.78 -0.04 0.00 -0.40 0.00 0.00 41.96 39.72 2knf s TYR 64 CO 0.05 0.61 0.12 0.95 -1.57 0.00 0.00 175.55 175.70 2knf s THR 65 N -1.38 4.84 -0.21 -0.71 -4.23 -0.51 0.13 115.64 113.58 2knf s THR 65 Ca 0.29 -0.58 0.01 0.00 -1.18 0.00 0.00 61.69 60.23 2knf s THR 65 Cb -0.13 -3.32 0.12 0.00 1.34 0.00 0.00 72.50 70.51 2knf s THR 65 CO 0.21 0.17 1.08 0.35 -0.54 0.00 0.00 174.62 175.89 2knf n THR 66 N 0.53 1.22 -3.87 3.99 -2.24 -0.61 -4.54 114.28 108.77 2knf n THR 66 Ca -0.08 -0.31 -0.36 0.00 -2.27 0.00 0.00 64.05 61.03 2knf n THR 66 Cb 0.52 -0.84 -0.13 0.00 -2.10 0.00 0.00 70.33 67.78 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 0.49 4.85 0.00 3.42 3.84 -1.26 -4.91 114.94 121.37 2knf s ASN 67 Ca 0.09 -0.25 0.10 0.00 0.21 0.00 0.00 52.86 53.02 2knf s ASN 67 Cb 0.08 -1.85 0.59 0.00 -0.55 0.00 0.00 41.25 39.52 2knf s ASN 67 CO 0.02 -0.01 1.08 -2.65 -2.79 0.00 0.00 177.10 172.75 2knf n PRO 68 N 4.73 0.29 0.04 0.43 -0.02 -1.26 -2.25 135.00 136.96 2knf n PRO 68 Ca -0.17 0.03 -0.13 0.00 -2.02 0.00 0.00 63.50 61.22 2knf n PRO 68 Cb 0.51 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.36 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 0.13 -3.09 -0.52 2.47 -1.97 -3.48 114.38 107.93 2knf h ARG 69 Ca 0.00 -0.22 -0.13 0.00 -1.26 0.00 0.00 59.98 58.37 2knf h ARG 69 Cb 0.02 0.08 -0.21 0.00 -1.65 0.00 0.00 29.97 28.21 2knf h ARG 69 CO 0.00 0.95 -0.32 -1.59 0.56 0.00 0.00 179.97 179.56 2knf s LYS 70 N -2.63 0.57 0.02 0.04 0.00 -0.95 -5.06 119.74 111.73 2knf s LYS 70 Ca -0.06 -0.08 -0.20 0.00 0.00 0.00 0.00 55.97 55.63 2knf s LYS 70 Cb 0.08 0.26 -0.18 0.00 0.00 0.00 0.00 37.83 37.99 2knf s LYS 70 CO 0.84 -0.14 1.23 1.25 0.00 0.00 0.00 175.35 178.53 2knf h LEU 71 N 4.33 0.43 -8.15 2.77 5.85 -1.90 -3.40 115.31 115.24 2knf h LEU 71 Ca -0.29 -0.60 -0.13 0.00 0.84 0.00 0.00 57.88 57.70 2knf h LEU 71 Cb 1.18 -0.13 -0.14 0.00 0.37 0.00 0.00 40.66 41.94 2knf h LEU 71 CO 0.38 0.96 -0.51 -0.72 -0.34 0.00 0.00 178.44 178.21 2knf s TYR 72 N -3.82 0.50 0.30 1.25 1.13 -1.26 -1.42 117.35 114.03 2knf s TYR 72 Ca -0.14 -0.92 -0.19 0.00 -1.41 0.00 0.00 57.07 54.41 2knf s TYR 72 Cb 0.04 -0.25 0.02 0.00 -1.10 0.00 0.00 41.96 40.67 2knf s TYR 72 CO 0.78 -0.54 0.70 0.34 -2.51 0.00 0.00 175.55 174.32 2knf s ASP 73 N -2.95 -0.16 0.29 -0.18 -1.08 -0.70 -4.85 116.67 107.04 2knf s ASP 73 Ca 0.14 -0.78 -0.01 0.00 -0.52 0.00 0.00 52.55 51.38 2knf s ASP 73 Cb 0.06 0.74 -0.04 0.00 -1.46 0.00 0.00 42.92 42.22 2knf s ASP 73 CO -0.04 -1.40 0.50 -0.31 0.52 0.00 0.00 175.17 174.44 2knf s TYR 74 N -3.57 3.49 0.46 -5.34 1.51 -1.26 -1.19 117.35 111.45 2knf s TYR 74 Ca 0.14 0.42 0.08 0.00 -1.01 0.00 0.00 57.07 56.69 2knf s TYR 74 Cb -0.05 -1.93 0.01 0.00 -0.11 0.00 0.00 41.96 39.88 2knf s TYR 74 CO 0.08 0.22 0.49 0.00 -1.11 0.00 0.00 175.55 175.23 2knf n ASP 76 N -1.76 3.35 -4.71 0.00 2.03 -1.26 -4.59 116.55 109.60 2knf n ASP 76 Ca 0.06 -3.37 -0.35 0.00 0.52 0.00 0.00 54.79 51.65 2knf n ASP 76 Cb 0.62 -0.66 -0.08 0.00 -0.72 0.00 0.00 41.12 40.27 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 -2.49 5.09 0.64 5.18 0.11 -1.26 -5.06 120.40 122.60 2knf s VAL 77 Ca 0.40 0.07 -0.18 0.00 -2.93 0.00 0.00 61.98 59.34 2knf s VAL 77 Cb 0.17 -3.28 -0.03 0.00 -1.53 0.00 0.00 36.38 31.71 2knf s VAL 77 CO -0.03 0.49 0.97 -0.81 -3.33 0.00 0.00 175.10 172.39 2knf n PRO 78 N 3.16 0.79 -2.44 1.54 -0.04 -1.26 -4.48 135.00 132.27 2knf n PRO 78 Ca -0.17 0.32 -0.43 0.00 -0.04 0.00 0.00 63.50 63.18 2knf n PRO 78 Cb 0.53 -2.20 -0.02 0.00 -0.04 0.00 0.00 33.50 31.77 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 -2.95 3.61 0.09 0.54 2.00 -1.26 -0.08 119.66 121.61 2knf s GLN 79 Ca 0.76 0.78 -0.10 0.00 -2.00 0.00 0.00 55.36 54.80 2knf s GLN 79 Cb -0.39 -3.99 -0.19 0.00 0.80 0.00 0.00 33.01 29.24 2knf s GLN 79 CO 0.47 -1.53 1.23 0.00 -0.50 0.00 0.00 175.29 174.96 2knf n ALA 81 N -2.61 6.58 1.23 0.00 0.00 -0.98 -4.97 120.51 119.75 2knf n ALA 81 Ca -0.10 -4.16 0.10 0.00 0.00 0.00 0.00 53.44 49.29 2knf n ALA 81 Cb 0.88 -2.75 0.58 0.00 0.00 0.00 0.00 19.45 18.16 2knf n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50