#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 0.22 -1.01 6.43 5.15 -1.26 -4.89 115.26 119.90 2knf n ASN -3 Ca 0.00 -0.13 -0.12 0.00 -0.60 0.00 0.00 54.58 53.73 2knf n ASN -3 Cb 0.00 -0.21 -0.04 0.00 -0.53 0.00 0.00 39.78 39.00 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 -1.26 -0.21 -1.79 5.20 0.00 -1.26 -4.89 120.51 116.29 2knf n ALA -2 Ca 0.11 0.18 -0.40 0.00 0.00 0.00 0.00 53.44 53.34 2knf n ALA -2 Cb 0.29 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.03 8.19 -3.71 0.00 2.03 -1.26 -3.88 116.55 117.88 2knf n ASP -1 Ca -0.13 -2.97 -0.10 0.00 0.52 0.00 0.00 54.79 52.11 2knf n ASP -1 Cb 0.43 -1.42 -0.06 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 -3.62 3.54 -0.57 0.00 0.23 0.26 -4.07 119.30 115.07 2knf s MET 2 Ca 0.02 -0.28 -0.06 0.00 -1.03 0.00 0.00 55.69 54.34 2knf s MET 2 Cb 0.02 -2.87 0.15 0.00 -1.53 0.00 0.00 34.83 30.60 2knf s MET 2 CO -0.10 0.46 0.41 -0.06 -2.03 0.00 0.00 175.02 173.69 2knf s PHE 3 N -1.75 3.49 0.00 3.16 0.40 -1.26 0.16 117.98 122.19 2knf s PHE 3 Ca 0.39 -2.36 0.00 0.00 -0.60 0.00 0.00 56.93 54.36 2knf s PHE 3 Cb -0.12 -3.36 0.00 0.00 0.51 0.00 0.00 43.02 40.06 2knf s PHE 3 CO 0.27 -0.92 0.00 0.41 0.70 0.00 0.00 175.22 175.68 2knf n GLY 4 N 4.11 1.80 0.12 4.36 0.00 -1.26 -3.61 105.19 110.70 2knf n GLY 4 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 4.21 -1.91 -3.46 115.58 116.02 2knf h ASN 5 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2knf h ASN 5 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 2knf h ASN 5 CO 0.00 0.63 0.00 0.61 -1.29 0.00 0.00 177.43 177.38 2knf n GLY 6 N 1.22 1.26 0.30 2.83 0.00 -1.24 -2.19 105.19 107.37 2knf n GLY 6 Ca 0.01 0.00 -0.09 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 1.52 1.04 -0.52 1.61 1.57 -1.78 -2.30 116.57 117.72 2knf h LYS 7 Ca 0.00 -0.29 -0.19 0.00 -1.87 0.00 0.00 60.65 58.30 2knf h LYS 7 Cb 0.00 -0.12 -0.11 0.00 0.08 0.00 0.00 32.23 32.08 2knf h LYS 7 CO 0.00 0.98 0.13 0.41 -0.57 0.00 0.00 179.45 180.40 2knf n GLY 8 N -0.53 4.30 3.59 3.86 0.00 -1.26 -4.79 105.19 110.36 2knf n GLY 8 Ca 0.03 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.08 1.67 -0.44 1.61 5.04 -0.88 -4.54 117.35 116.73 2knf s TYR 9 Ca 0.49 0.66 0.04 0.00 -2.44 0.00 0.00 57.07 55.81 2knf s TYR 9 Cb 0.41 -4.07 0.45 0.00 0.35 0.00 0.00 41.96 39.10 2knf s TYR 9 CO 0.07 -3.08 1.50 0.54 -1.34 0.00 0.00 175.55 173.24 2knf n ARG 10 N 8.55 3.28 -0.15 4.97 5.12 -1.26 -4.87 116.66 132.30 2knf n ARG 10 Ca 0.24 -3.86 0.00 0.00 -1.93 0.00 0.00 57.85 52.30 2knf n ARG 10 Cb 0.47 -2.28 0.00 0.00 -1.16 0.00 0.00 32.46 29.49 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 -0.77 1.09 0.43 -0.13 0.00 -1.25 -4.73 105.19 99.82 2knf n GLY 11 Ca 0.51 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 0.01 -2.09 1.61 2.85 -1.26 -4.74 118.16 114.32 2knf n LYS 12 Ca 0.00 -0.95 -0.41 0.00 -1.05 0.00 0.00 58.31 55.90 2knf n LYS 12 Cb 0.00 -0.51 -0.02 0.00 -0.65 0.00 0.00 35.03 33.85 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 -0.03 4.32 -0.13 -1.58 1.81 -1.26 -4.81 118.95 117.28 2knf s ARG 13 Ca 0.00 2.21 0.23 0.00 -1.72 0.00 0.00 55.73 56.46 2knf s ARG 13 Cb 0.00 -3.13 0.46 0.00 -0.45 0.00 0.00 34.95 31.84 2knf s ARG 13 CO 0.00 -0.33 1.15 1.33 -0.68 0.00 0.00 175.30 176.78 2knf n VAL 14 N 2.12 0.75 -3.67 3.52 0.24 -1.26 0.85 118.33 120.87 2knf n VAL 14 Ca 0.05 -2.04 -0.09 0.00 -2.04 0.00 0.00 64.34 60.23 2knf n VAL 14 Cb 0.41 0.95 -0.10 0.00 -1.47 0.00 0.00 33.84 33.64 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 -1.90 -0.31 0.19 3.34 2.01 -1.26 -0.00 115.64 117.71 2knf s THR 15 Ca 0.32 0.11 -0.03 0.00 0.31 0.00 0.00 61.69 62.40 2knf s THR 15 Cb 0.36 -0.69 0.05 0.00 0.01 0.00 0.00 72.50 72.23 2knf s THR 15 CO -0.10 0.04 0.17 0.35 -0.69 0.00 0.00 174.62 174.39 2knf n THR 16 N 4.76 0.00 0.28 -0.82 -2.24 0.11 -4.16 114.28 112.22 2knf n THR 16 Ca -0.17 -0.08 0.16 0.00 -2.27 0.00 0.00 64.05 61.69 2knf n THR 16 Cb 0.53 -1.04 0.83 0.00 -2.10 0.00 0.00 70.33 68.55 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 -1.69 0.36 0.00 2.28 -1.51 0.96 0.24 116.25 116.89 2knf h VAL 17 Ca -0.06 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2knf h VAL 17 Cb 0.20 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 30.64 2knf h VAL 17 CO 0.04 0.07 -0.93 0.35 -1.23 0.00 0.00 177.57 175.87 2knf n THR 18 N -3.45 0.29 -0.68 7.19 -2.24 -1.26 -4.93 114.28 109.19 2knf n THR 18 Ca -0.02 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2knf n THR 18 Cb 0.21 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 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 1.33 0.58 3.67 3.38 0.00 0.07 -5.05 105.19 109.18 2knf n GLY 19 Ca 0.02 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 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 4.37 0.10 2.61 2.01 -1.26 -4.60 115.64 116.87 2knf s THR 20 Ca 0.00 1.67 -0.36 0.00 0.31 0.00 0.00 61.69 63.31 2knf s THR 20 Cb 0.00 -4.08 -0.16 0.00 0.01 0.00 0.00 72.50 68.28 2knf s THR 20 CO 0.00 -0.07 1.42 -2.65 -0.69 0.00 0.00 174.62 172.63 2knf n PRO 21 N 5.81 1.45 -2.20 4.92 -0.02 -1.26 0.08 135.00 143.78 2knf n PRO 21 Ca 0.12 0.52 -0.38 0.00 -2.02 0.00 0.00 63.50 61.74 2knf n PRO 21 Cb 0.46 -2.21 -0.01 0.00 -0.02 0.00 0.00 33.50 31.72 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 -2.39 1.89 0.01 0.00 0.74 0.37 -4.64 119.66 115.64 2knf s GLN 23 Ca 0.59 0.38 -0.30 0.00 0.05 0.00 0.00 55.36 56.08 2knf s GLN 23 Cb -0.33 -1.92 -0.04 0.00 1.10 0.00 0.00 33.01 31.83 2knf s GLN 23 CO 0.41 -1.70 1.10 0.34 -0.55 0.00 0.00 175.29 174.89 2knf s ASP 24 N -4.17 7.20 0.47 6.67 -1.08 -1.26 -4.29 116.67 120.22 2knf s ASP 24 Ca 0.62 1.81 0.17 0.00 -0.52 0.00 0.00 52.55 54.62 2knf s ASP 24 Cb -0.13 -2.57 1.14 0.00 -1.46 0.00 0.00 42.92 39.90 2knf s ASP 24 CO 0.52 -0.40 2.01 -0.50 0.52 0.00 0.00 175.17 177.32 2knf h TRP 25 N 6.91 0.28 0.00 -5.34 4.06 -1.14 0.16 115.95 120.88 2knf h TRP 25 Ca -0.40 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.56 2knf h TRP 25 Cb 1.20 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 29.27 2knf h TRP 25 CO 0.68 0.14 0.00 0.00 -3.56 0.00 0.00 178.44 175.70 2knf h ALA 26 N 1.74 1.00 -2.66 1.49 0.00 -1.87 -3.36 119.26 115.60 2knf h ALA 26 Ca 0.23 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.57 2knf h ALA 26 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2knf h ALA 26 CO -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 179.25 178.95 2knf s ALA 27 N -3.17 3.73 -0.41 0.00 0.00 0.56 -4.93 121.76 117.53 2knf s ALA 27 Ca 0.09 -0.44 0.06 0.00 0.00 0.00 0.00 51.96 51.66 2knf s ALA 27 Cb 0.10 -2.24 0.64 0.00 0.00 0.00 0.00 23.12 21.62 2knf s ALA 27 CO 0.61 0.60 1.82 1.04 0.00 0.00 0.00 175.76 179.82 2knf n GLN 28 N 0.37 2.31 -3.69 0.00 1.13 -1.26 -4.53 117.38 111.72 2knf n GLN 28 Ca -0.04 -3.05 -0.12 0.00 -1.94 0.00 0.00 57.00 51.85 2knf n GLN 28 Cb 0.52 -2.11 -0.12 0.00 0.11 0.00 0.00 30.24 28.64 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 -3.26 0.23 -0.09 -1.09 2.02 -1.26 -0.97 118.70 114.27 2knf s GLU 29 Ca 0.54 0.74 0.02 0.00 0.02 0.00 0.00 54.97 56.29 2knf s GLU 29 Cb 0.46 -0.00 0.19 0.00 0.10 0.00 0.00 34.13 34.88 2knf s GLU 29 CO 0.09 -0.23 1.06 -0.35 0.02 0.00 0.00 175.26 175.85 2knf n PRO 30 N 4.88 1.61 -3.76 0.39 -0.05 -1.26 -4.64 135.00 132.17 2knf n PRO 30 Ca -0.15 -0.78 -0.28 0.00 -0.05 0.00 0.00 63.50 62.24 2knf n PRO 30 Cb 0.51 -1.47 -0.16 0.00 -0.05 0.00 0.00 33.50 32.33 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 -1.10 1.25 0.04 0.54 3.76 -1.11 -5.02 115.29 113.65 2knf s HIS 31 Ca 0.14 -1.06 -0.30 0.00 -0.15 0.00 0.00 55.06 53.69 2knf s HIS 31 Cb 0.12 -1.16 -0.05 0.00 1.11 0.00 0.00 32.58 32.59 2knf s HIS 31 CO 0.03 -0.66 1.17 -0.98 -0.85 0.00 0.00 174.74 173.45 2knf s ARG 32 N 1.78 4.45 -0.29 1.40 1.04 -0.14 -4.11 118.95 123.08 2knf s ARG 32 Ca -0.00 1.71 0.03 0.00 -1.04 0.00 0.00 55.73 56.42 2knf s ARG 32 Cb -0.17 -3.38 0.17 0.00 -2.04 0.00 0.00 34.95 29.53 2knf s ARG 32 CO -0.10 -0.24 0.48 -3.38 -0.04 0.00 0.00 175.30 172.02 2knf s HIS 33 N 1.14 -1.33 -0.05 5.89 -3.43 -1.26 -4.98 115.29 111.28 2knf s HIS 33 Ca 0.57 0.75 0.00 0.00 -0.80 0.00 0.00 55.06 55.59 2knf s HIS 33 Cb -0.28 0.08 0.02 0.00 -1.43 0.00 0.00 32.58 30.98 2knf s HIS 33 CO 0.28 -0.98 1.02 0.45 -2.00 0.00 0.00 174.74 173.51 2knf n SER 34 N 5.38 2.96 -3.88 7.38 2.88 -1.26 -4.71 113.62 122.38 2knf n SER 34 Ca 0.01 -2.06 -0.11 0.00 -1.33 0.00 0.00 58.87 55.39 2knf n SER 34 Cb 0.51 -0.51 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 2knf n SER 34 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 2knf s ILE 35 N -0.15 0.04 -1.32 2.46 -4.36 -1.26 -4.82 121.20 111.80 2knf s ILE 35 Ca 0.02 -0.37 -0.02 0.00 -0.26 0.00 0.00 60.65 60.02 2knf s ILE 35 Cb 0.02 -0.22 0.01 0.00 1.25 0.00 0.00 42.46 43.51 2knf s ILE 35 CO 0.00 -0.20 0.77 0.49 0.24 0.00 0.00 174.94 176.25 2knf n PHE 36 N 2.35 -2.01 -3.17 1.37 3.72 -1.26 -5.03 117.46 113.43 2knf n PHE 36 Ca -0.17 0.86 -0.19 0.00 -0.05 0.00 0.00 57.45 57.90 2knf n PHE 36 Cb 0.58 -4.44 0.02 0.00 -0.94 0.00 0.00 39.48 34.69 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 -3.59 2.51 0.54 4.37 -4.23 -1.26 -4.75 115.64 109.24 2knf s THR 37 Ca 0.09 -1.09 0.22 0.00 -1.18 0.00 0.00 61.69 59.72 2knf s THR 37 Cb -0.04 -2.60 0.32 0.00 1.34 0.00 0.00 72.50 71.51 2knf s THR 37 CO 0.80 0.00 2.15 -0.65 -0.54 0.00 0.00 174.62 176.38 2knf h PRO 38 N 0.53 0.00 0.05 3.99 0.11 -1.78 -1.00 132.00 133.90 2knf h PRO 38 Ca -0.36 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.43 2knf h PRO 38 Cb 1.28 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.36 2knf h PRO 38 CO 0.46 0.00 -1.80 0.93 -0.21 0.00 0.00 178.00 177.38 2knf h GLU 39 N 0.00 0.11 0.00 1.05 3.07 -1.94 -3.06 114.58 113.80 2knf h GLU 39 Ca 0.04 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 2knf h GLU 39 Cb 0.20 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 2knf h GLU 39 CO -0.00 0.79 -0.52 1.79 -1.40 0.00 0.00 179.01 179.67 2knf h THR 40 N 0.03 0.00 -2.06 1.13 1.35 -1.88 -3.37 112.91 108.11 2knf h THR 40 Ca -0.33 -0.91 -0.54 0.00 -0.55 0.00 0.00 66.41 64.08 2knf h THR 40 Cb 2.02 1.64 -0.40 0.00 -1.73 0.00 0.00 68.15 69.68 2knf h THR 40 CO 0.09 0.00 -1.03 0.59 -0.25 0.00 0.00 175.52 174.91 2knf n ASN 41 N -2.75 1.35 -0.54 5.36 4.13 -0.39 -4.81 115.26 117.61 2knf n ASN 41 Ca 0.02 -3.02 0.00 0.00 1.68 0.00 0.00 54.58 53.26 2knf n ASN 41 Cb 0.52 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 38.14 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 0.69 0.81 -0.00 3.52 -0.04 -1.16 -2.68 135.00 136.14 2knf n PRO 42 Ca 0.25 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.74 2knf n PRO 42 Cb 0.55 -1.38 -0.04 0.00 -0.04 0.00 0.00 33.50 32.59 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 0.13 1.44 -0.14 0.54 1.85 -1.26 -4.58 116.66 114.64 2knf n ARG 43 Ca 0.00 -0.04 0.07 0.00 -1.00 0.00 0.00 57.85 56.88 2knf n ARG 43 Cb 0.22 -1.05 0.14 0.00 -1.05 0.00 0.00 32.46 30.72 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 -1.57 2.32 -3.30 2.89 0.00 -1.09 -4.98 120.51 114.78 2knf n ALA 44 Ca -0.01 -0.96 -0.17 0.00 0.00 0.00 0.00 53.44 52.31 2knf n ALA 44 Cb 0.14 -0.53 0.07 0.00 0.00 0.00 0.00 19.45 19.14 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 0.80 -0.28 3.57 0.00 0.00 -1.26 -4.75 105.19 103.29 2knf n GLY 45 Ca 0.12 0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.98 3.39 -0.05 0.99 1.02 -1.26 -4.98 118.68 111.82 2knf s LEU 46 Ca 0.19 0.44 0.05 0.00 0.02 0.00 0.00 54.13 54.83 2knf s LEU 46 Cb -0.08 -3.02 -0.02 0.00 0.02 0.00 0.00 46.19 43.09 2knf s LEU 46 CO 0.62 -1.84 -0.22 -1.83 0.02 0.00 0.00 176.35 173.11 2knf s GLU 47 N 5.82 2.50 1.84 1.70 -1.05 -1.26 -4.22 118.70 124.03 2knf s GLU 47 Ca 0.59 -0.84 0.00 0.00 -0.15 0.00 0.00 54.97 54.57 2knf s GLU 47 Cb -0.13 -2.22 0.00 0.00 -0.44 0.00 0.00 34.13 31.34 2knf s GLU 47 CO 0.25 0.47 0.00 1.63 0.95 0.00 0.00 175.26 178.56 2knf n LYS 48 N 2.72 0.00 -0.31 -4.83 4.76 -1.26 -1.99 118.16 117.25 2knf n LYS 48 Ca -0.17 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.29 2knf n LYS 48 Cb 0.52 0.00 0.02 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 6.21 0.52 -4.72 4.39 6.94 -1.26 -0.59 115.26 126.74 2knf n ASN 49 Ca 0.00 -2.01 -0.42 0.00 -0.02 0.00 0.00 54.58 52.14 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 -0.55 3.30 0.48 -2.53 2.02 -0.84 -4.52 117.35 114.70 2knf s TYR 50 Ca 0.06 1.12 -0.22 0.00 -0.37 0.00 0.00 57.07 57.65 2knf s TYR 50 Cb 0.05 -3.59 -0.09 0.00 -0.40 0.00 0.00 41.96 37.93 2knf s TYR 50 CO 0.01 -1.97 0.99 0.00 -1.57 0.00 0.00 175.55 173.01 2knf s ARG 52 N -2.23 1.01 -0.67 0.00 1.81 -0.42 -4.74 118.95 113.70 2knf s ARG 52 Ca 0.67 -0.89 0.05 0.00 -1.72 0.00 0.00 55.73 53.84 2knf s ARG 52 Cb -0.51 0.41 0.17 0.00 -0.45 0.00 0.00 34.95 34.57 2knf s ARG 52 CO 0.54 -0.37 0.49 -1.71 -0.68 0.00 0.00 175.30 173.57 2knf n ASN 53 N -0.16 2.62 0.26 0.23 2.85 -1.14 -0.99 115.26 118.91 2knf n ASN 53 Ca -0.14 -3.12 0.11 0.00 -0.11 0.00 0.00 54.58 51.33 2knf n ASN 53 Cb 0.63 -0.73 0.69 0.00 1.24 0.00 0.00 39.78 41.61 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 5.37 0.00 0.00 1.20 0.11 -1.89 -1.53 132.00 135.26 2knf h PRO 54 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2knf h PRO 54 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2knf h PRO 54 CO 0.68 0.13 -0.94 -3.47 -0.21 0.00 0.00 178.00 174.18 2knf n ASP 55 N -3.78 0.71 -3.80 -2.05 -0.08 -1.26 -4.94 116.55 101.36 2knf n ASP 55 Ca -0.02 0.12 -0.28 0.00 -1.51 0.00 0.00 54.79 53.11 2knf n ASP 55 Cb 0.23 0.52 0.05 0.00 2.34 0.00 0.00 41.12 44.25 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 1.28 -0.51 3.56 0.27 0.00 -0.58 -4.91 105.19 104.30 2knf n GLY 56 Ca 0.01 0.21 -0.46 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.91 0.90 0.00 1.61 -0.08 -1.26 -4.81 116.55 110.01 2knf n ASP 57 Ca 0.01 1.16 0.02 0.00 -1.51 0.00 0.00 54.79 54.48 2knf n ASP 57 Cb 0.54 -1.21 0.13 0.00 2.34 0.00 0.00 41.12 42.93 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 0.56 0.00 0.29 5.18 0.31 -1.26 -1.78 118.33 121.62 2knf n VAL 58 Ca 0.12 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.55 2knf n VAL 58 Cb 0.29 -0.23 -0.14 0.00 -0.91 0.00 0.00 33.84 32.85 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 0.28 -0.86 0.00 2.92 0.00 -1.26 -5.00 105.19 101.28 2knf n GLY 59 Ca 0.03 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 1.41 0.94 3.77 -0.02 0.00 -0.73 -5.05 105.19 105.51 2knf n GLY 60 Ca -0.01 -2.30 -0.31 0.00 0.00 0.00 0.00 46.02 43.40 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 -1.03 2.25 0.01 1.61 0.04 -0.93 -4.56 135.00 132.38 2knf s PRO 61 Ca 0.00 1.03 -0.00 0.00 0.04 0.00 0.00 61.00 62.07 2knf s PRO 61 Cb 0.00 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2knf s PRO 61 CO 0.00 -1.61 0.02 -2.67 0.04 0.00 0.00 177.00 172.78 2knf n TRP 62 N -3.48 -0.57 -3.84 0.56 4.27 -0.16 -1.08 117.44 113.14 2knf n TRP 62 Ca 0.08 -0.07 -0.02 0.00 -3.89 0.00 0.00 57.50 53.60 2knf n TRP 62 Cb 0.54 0.02 0.02 0.00 -1.36 0.00 0.00 31.31 30.52 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 -2.70 3.43 0.03 0.00 2.02 -1.26 -1.84 117.35 117.04 2knf s TYR 64 Ca 0.20 0.26 0.01 0.00 -0.37 0.00 0.00 57.07 57.17 2knf s TYR 64 Cb -0.02 -1.77 -0.04 0.00 -0.40 0.00 0.00 41.96 39.73 2knf s TYR 64 CO 0.04 0.60 0.08 0.95 -1.57 0.00 0.00 175.55 175.65 2knf s THR 65 N -1.34 4.62 -1.60 -0.71 -4.23 -0.67 0.14 115.64 111.85 2knf s THR 65 Ca 0.28 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 2knf s THR 65 Cb -0.12 -3.16 0.02 0.00 1.34 0.00 0.00 72.50 70.57 2knf s THR 65 CO 0.20 0.26 0.82 0.35 -0.54 0.00 0.00 174.62 175.71 2knf n THR 66 N 0.89 0.04 -3.33 3.99 -2.24 -0.58 -4.58 114.28 108.46 2knf n THR 66 Ca -0.11 -0.02 -0.39 0.00 -2.27 0.00 0.00 64.05 61.26 2knf n THR 66 Cb 0.52 -0.19 -0.08 0.00 -2.10 0.00 0.00 70.33 68.49 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 -0.61 6.43 0.00 3.42 3.84 -1.26 -4.84 114.94 121.92 2knf s ASN 67 Ca 0.01 0.51 0.08 0.00 0.21 0.00 0.00 52.86 53.67 2knf s ASN 67 Cb 0.01 -2.25 0.45 0.00 -0.55 0.00 0.00 41.25 38.91 2knf s ASN 67 CO 0.01 -0.15 0.86 -0.81 -2.79 0.00 0.00 177.10 174.22 2knf n PRO 68 N 4.86 0.33 -0.02 0.43 -0.04 -1.26 -2.23 135.00 137.06 2knf n PRO 68 Ca -0.07 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.20 2knf n PRO 68 Cb 0.51 -1.36 -0.13 0.00 -0.04 0.00 0.00 33.50 32.47 2knf n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2knf h ARG 69 N 0.00 0.16 -4.73 0.54 2.47 -1.96 -3.48 114.38 107.37 2knf h ARG 69 Ca 0.00 -0.27 -0.27 0.00 -1.26 0.00 0.00 59.98 58.18 2knf h ARG 69 Cb 0.00 0.10 -0.18 0.00 -1.65 0.00 0.00 29.97 28.24 2knf h ARG 69 CO 0.00 1.13 -0.72 -1.59 0.56 0.00 0.00 179.97 179.35 2knf s LYS 70 N -2.39 0.73 -0.01 0.04 -2.85 -0.95 -5.05 119.74 109.27 2knf s LYS 70 Ca -0.20 -1.07 -0.09 0.00 -1.00 0.00 0.00 55.97 53.60 2knf s LYS 70 Cb 0.02 -0.35 -0.31 0.00 -2.06 0.00 0.00 37.83 35.14 2knf s LYS 70 CO 0.73 0.04 0.82 1.25 0.10 0.00 0.00 175.35 178.29 2knf h LEU 71 N 3.70 0.59 -8.16 2.77 5.85 -1.88 -3.40 115.31 114.78 2knf h LEU 71 Ca -0.36 -0.78 -0.12 0.00 0.84 0.00 0.00 57.88 57.45 2knf h LEU 71 Cb 1.19 -0.19 -0.14 0.00 0.37 0.00 0.00 40.66 41.88 2knf h LEU 71 CO 0.52 1.65 -0.56 -0.72 -0.34 0.00 0.00 178.44 178.99 2knf s TYR 72 N -2.60 0.49 0.13 1.25 1.13 -1.26 -1.66 117.35 114.83 2knf s TYR 72 Ca -0.12 -0.95 -0.25 0.00 -1.41 0.00 0.00 57.07 54.34 2knf s TYR 72 Cb 0.06 -0.29 0.07 0.00 -1.10 0.00 0.00 41.96 40.69 2knf s TYR 72 CO 0.88 -0.49 0.88 0.34 -2.51 0.00 0.00 175.55 174.65 2knf s ASP 73 N -2.94 -0.27 0.32 -0.18 2.15 -0.77 -4.81 116.67 110.18 2knf s ASP 73 Ca 0.11 -0.29 -0.00 0.00 0.43 0.00 0.00 52.55 52.80 2knf s ASP 73 Cb 0.07 0.50 -0.04 0.00 -0.30 0.00 0.00 42.92 43.15 2knf s ASP 73 CO -0.07 -0.90 0.53 -0.31 -0.17 0.00 0.00 175.17 174.26 2knf s TYR 74 N -3.37 3.50 0.41 -5.34 1.51 -1.26 -1.19 117.35 111.60 2knf s TYR 74 Ca 0.09 0.38 0.08 0.00 -1.01 0.00 0.00 57.07 56.61 2knf s TYR 74 Cb -0.02 -1.91 -0.02 0.00 -0.11 0.00 0.00 41.96 39.90 2knf s TYR 74 CO -0.01 0.16 0.40 0.00 -1.11 0.00 0.00 175.55 174.98 2knf n ASP 76 N -1.57 3.35 -4.74 0.00 2.03 -1.26 -4.59 116.55 109.78 2knf n ASP 76 Ca 0.03 -3.38 -0.35 0.00 0.52 0.00 0.00 54.79 51.61 2knf n ASP 76 Cb 0.61 -0.64 -0.08 0.00 -0.72 0.00 0.00 41.12 40.29 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 -2.69 5.40 0.90 5.18 0.11 -1.26 -5.04 120.40 123.00 2knf s VAL 77 Ca 0.41 0.24 -0.11 0.00 -2.93 0.00 0.00 61.98 59.59 2knf s VAL 77 Cb 0.18 -3.49 0.13 0.00 -1.53 0.00 0.00 36.38 31.67 2knf s VAL 77 CO -0.05 0.44 1.10 -0.81 -3.33 0.00 0.00 175.10 172.45 2knf n PRO 78 N 3.47 -0.31 -2.42 1.54 -0.04 -1.26 -4.49 135.00 131.49 2knf n PRO 78 Ca -0.16 -0.02 -0.43 0.00 -0.04 0.00 0.00 63.50 62.85 2knf n PRO 78 Cb 0.52 -2.35 -0.02 0.00 -0.04 0.00 0.00 33.50 31.61 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 -4.44 3.73 0.09 0.54 2.00 -1.26 -0.57 119.66 119.74 2knf s GLN 79 Ca 0.68 1.01 -0.12 0.00 -2.00 0.00 0.00 55.36 54.92 2knf s GLN 79 Cb -0.24 -3.95 -0.20 0.00 0.80 0.00 0.00 33.01 29.42 2knf s GLN 79 CO 0.57 -1.36 1.22 0.00 -0.50 0.00 0.00 175.29 175.22 2knf n ALA 81 N -2.63 5.50 0.75 0.00 0.00 -1.09 -4.97 120.51 118.08 2knf n ALA 81 Ca -0.10 -1.73 0.09 0.00 0.00 0.00 0.00 53.44 51.70 2knf n ALA 81 Cb 0.86 -1.69 0.08 0.00 0.00 0.00 0.00 19.45 18.70 2knf n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50