#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kf3 s ILE 4 N 0.00 0.00 -0.03 2.52 2.07 -1.26 -5.05 121.20 119.45 2kf3 s ILE 4 Ca 0.00 0.00 0.18 0.00 -1.41 0.00 0.00 60.65 59.42 2kf3 s ILE 4 Cb 0.00 -1.00 0.31 0.00 0.13 0.00 0.00 42.46 41.90 2kf3 s ILE 4 CO 0.00 0.00 1.13 -0.46 -1.91 0.00 0.00 174.94 173.70 2kf3 n ASN 5 N -0.17 0.36 -4.79 4.50 0.23 -1.26 -4.90 115.26 109.22 2kf3 n ASN 5 Ca -0.06 -2.01 -0.25 0.00 -0.53 0.00 0.00 54.58 51.72 2kf3 n ASN 5 Cb 0.61 -0.10 -0.05 0.00 -2.08 0.00 0.00 39.78 38.15 2kf3 n ASN 5 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2kf3 s THR 6 N -0.27 4.42 0.05 5.53 -4.23 -1.26 0.30 115.64 120.19 2kf3 s THR 6 Ca 0.22 -1.17 -0.29 0.00 -1.18 0.00 0.00 61.69 59.27 2kf3 s THR 6 Cb 0.27 -3.28 -0.16 0.00 1.34 0.00 0.00 72.50 70.67 2kf3 s THR 6 CO -0.11 -0.16 1.44 2.19 -0.54 0.00 0.00 174.62 177.45 2kf3 h PHE 7 N 2.24 -1.03 -0.91 3.99 -0.00 -1.97 0.86 116.94 120.12 2kf3 h PHE 7 Ca -0.48 -0.01 0.04 0.00 -0.00 0.00 0.00 57.97 57.52 2kf3 h PHE 7 Cb 1.21 0.36 -0.06 0.00 -0.00 0.00 0.00 35.95 37.46 2kf3 h PHE 7 CO 0.58 -0.59 0.58 -0.44 -0.00 0.00 0.00 178.31 178.44 2kf3 h ASP 8 N -0.99 0.95 -0.61 -0.68 5.19 -1.98 0.37 116.42 118.66 2kf3 h ASP 8 Ca -0.09 0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.39 2kf3 h ASP 8 Cb 0.78 -0.20 -0.06 0.00 0.18 0.00 0.00 39.33 40.03 2kf3 h ASP 8 CO 0.11 0.64 0.30 1.23 -3.12 0.00 0.00 179.24 178.40 2kf3 h GLY 9 N 1.10 0.88 1.01 2.75 0.00 -1.92 0.59 103.07 107.49 2kf3 h GLY 9 Ca 0.37 -0.20 -0.10 0.00 0.00 0.00 0.00 47.33 47.40 2kf3 h GLY 9 CO -0.14 0.09 -0.15 -2.08 0.00 0.00 0.00 176.54 174.26 2kf3 h VAL 10 N 0.56 1.28 0.63 4.60 2.07 0.01 -0.98 116.25 124.41 2kf3 h VAL 10 Ca 0.29 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 2kf3 h VAL 10 Cb 0.24 1.25 0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2kf3 h VAL 10 CO -0.22 0.43 -0.30 0.00 0.02 0.00 0.00 177.57 177.50 2kf3 h ALA 11 N 0.83 -0.84 -0.23 1.67 0.00 0.03 0.56 119.26 121.27 2kf3 h ALA 11 Ca 0.10 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.86 2kf3 h ALA 11 Cb 0.70 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 2kf3 h ALA 11 CO 0.05 -0.91 -0.34 -0.44 0.00 0.00 0.00 179.25 177.61 2kf3 h ASP 12 N -0.97 -1.09 -0.19 0.00 5.19 0.15 2.70 116.42 122.22 2kf3 h ASP 12 Ca -0.09 0.17 0.04 0.00 -0.62 0.00 0.00 57.03 56.53 2kf3 h ASP 12 Cb 0.68 0.47 -0.03 0.00 0.18 0.00 0.00 39.33 40.63 2kf3 h ASP 12 CO 0.14 -0.36 -0.04 0.22 -3.12 0.00 0.00 179.24 176.09 2kf3 h TYR 13 N -0.36 -0.08 -0.09 4.55 3.20 -1.09 -0.52 116.97 122.58 2kf3 h TYR 13 Ca 0.12 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.88 2kf3 h TYR 13 Cb 0.56 0.06 0.01 0.00 1.54 0.00 0.00 36.73 38.89 2kf3 h TYR 13 CO -0.47 -0.07 -0.41 1.25 -1.64 0.00 0.00 178.16 176.82 2kf3 h LEU 14 N 0.01 0.52 -2.56 2.82 6.46 0.93 0.51 115.31 124.00 2kf3 h LEU 14 Ca 0.09 -0.64 -0.00 0.00 -0.12 0.00 0.00 57.88 57.21 2kf3 h LEU 14 Cb 0.13 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 39.91 2kf3 h LEU 14 CO -0.18 1.08 -0.01 1.56 -0.62 0.00 0.00 178.44 180.26 2kf3 h GLN 15 N 0.01 0.00 0.03 1.25 4.20 0.48 0.81 115.11 121.89 2kf3 h GLN 15 Ca -0.03 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 58.30 2kf3 h GLN 15 Cb 1.06 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.78 2kf3 h GLN 15 CO 0.09 0.01 -2.33 2.41 -0.67 0.00 0.00 178.83 178.34 2kf3 n THR 16 N -3.23 1.57 -0.55 -0.54 -1.04 -0.21 -4.52 114.28 105.76 2kf3 n THR 16 Ca -0.02 -0.57 0.07 0.00 -2.04 0.00 0.00 64.05 61.49 2kf3 n THR 16 Cb 0.13 -1.55 0.23 0.00 -1.82 0.00 0.00 70.33 67.32 2kf3 n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2kf3 n TYR 17 N -3.41 0.81 -1.91 -1.42 4.01 0.16 -4.94 117.16 110.46 2kf3 n TYR 17 Ca -0.43 -0.66 -0.07 0.00 -0.16 0.00 0.00 57.90 56.59 2kf3 n TYR 17 Cb 0.99 -0.17 -0.01 0.00 -0.31 0.00 0.00 39.34 39.84 2kf3 n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2kf3 n HIS 18 N 0.24 -1.23 -3.95 -0.72 8.25 0.28 -4.87 115.22 113.22 2kf3 n HIS 18 Ca 0.18 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.54 2kf3 n HIS 18 Cb 0.67 -1.90 -0.10 0.00 1.12 0.00 0.00 29.99 29.78 2kf3 n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2kf3 s LYS 19 N -3.94 0.46 0.45 -0.41 -2.85 -1.23 -5.03 119.74 107.19 2kf3 s LYS 19 Ca 0.00 -0.65 -0.21 0.00 -1.00 0.00 0.00 55.97 54.11 2kf3 s LYS 19 Cb 0.00 0.18 -0.09 0.00 -2.06 0.00 0.00 37.83 35.85 2kf3 s LYS 19 CO 0.00 -0.10 1.01 -0.51 0.10 0.00 0.00 175.35 175.85 2kf3 s LEU 20 N -1.75 3.93 0.54 2.77 1.02 -1.26 -3.19 118.68 120.74 2kf3 s LEU 20 Ca -0.11 1.86 -0.18 0.00 0.02 0.00 0.00 54.13 55.72 2kf3 s LEU 20 Cb -0.05 -4.49 -0.14 0.00 0.02 0.00 0.00 46.19 41.52 2kf3 s LEU 20 CO -0.02 -0.58 -0.11 -2.65 0.02 0.00 0.00 176.35 173.00 2kf3 n PRO 21 N -0.70 0.04 -0.11 1.29 -0.02 -1.26 -4.62 135.00 129.61 2kf3 n PRO 21 Ca 0.08 0.02 -0.01 0.00 -2.02 0.00 0.00 63.50 61.56 2kf3 n PRO 21 Cb 0.53 -1.06 -0.02 0.00 -0.02 0.00 0.00 33.50 32.93 2kf3 n PRO 21 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2kf3 n ASP 22 N 2.39 0.68 -0.60 2.55 5.68 -1.26 -2.31 116.55 123.69 2kf3 n ASP 22 Ca 0.08 -1.50 -0.03 0.00 -0.50 0.00 0.00 54.79 52.84 2kf3 n ASP 22 Cb 0.48 -0.17 -0.03 0.00 -1.14 0.00 0.00 41.12 40.26 2kf3 n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2kf3 n ASN 23 N 2.65 -0.36 -4.15 -1.12 6.94 -1.26 -4.69 115.26 113.27 2kf3 n ASN 23 Ca 0.04 -0.94 -0.34 0.00 -0.02 0.00 0.00 54.58 53.32 2kf3 n ASN 23 Cb 0.10 0.11 -0.14 0.00 -2.36 0.00 0.00 39.78 37.49 2kf3 n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2kf3 s TYR 24 N 0.00 3.14 -0.05 -2.53 2.02 -0.98 -0.53 117.35 118.42 2kf3 s TYR 24 Ca 0.00 -1.83 0.05 0.00 -0.37 0.00 0.00 57.07 54.91 2kf3 s TYR 24 Cb 0.00 -2.03 -0.02 0.00 -0.40 0.00 0.00 41.96 39.51 2kf3 s TYR 24 CO 0.00 -0.79 -0.18 0.96 -1.57 0.00 0.00 175.55 173.97 2kf3 s ILE 25 N 1.25 2.71 0.93 2.71 -4.36 0.08 -4.79 121.20 119.73 2kf3 s ILE 25 Ca -0.03 -0.85 -0.12 0.00 -0.26 0.00 0.00 60.65 59.39 2kf3 s ILE 25 Cb -0.18 -2.04 0.15 0.00 1.25 0.00 0.00 42.46 41.65 2kf3 s ILE 25 CO -0.05 0.58 1.09 0.42 0.24 0.00 0.00 174.94 177.23 2kf3 s THR 26 N -0.54 2.45 0.28 8.37 -4.23 -0.45 0.16 115.64 121.67 2kf3 s THR 26 Ca 0.07 0.14 0.01 0.00 -1.18 0.00 0.00 61.69 60.74 2kf3 s THR 26 Cb -0.11 -2.63 0.09 0.00 1.34 0.00 0.00 72.50 71.19 2kf3 s THR 26 CO 0.01 -0.19 1.75 0.11 -0.54 0.00 0.00 174.62 175.76 2kf3 h LYS 27 N -1.68 0.59 -0.30 3.99 1.57 -1.94 -1.20 116.57 117.60 2kf3 h LYS 27 Ca -0.51 -0.19 0.03 0.00 -1.87 0.00 0.00 60.65 58.11 2kf3 h LYS 27 Cb 1.30 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.52 2kf3 h LYS 27 CO 0.56 0.72 -0.21 0.77 -0.57 0.00 0.00 179.45 180.71 2kf3 h SER 28 N 0.53 -0.76 -0.05 0.86 0.02 -1.97 1.48 113.55 113.66 2kf3 h SER 28 Ca 0.09 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 2kf3 h SER 28 Cb 0.57 0.33 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 2kf3 h SER 28 CO 0.04 -0.11 0.01 -0.33 -1.14 0.00 0.00 176.83 175.30 2kf3 h GLU 29 N -0.05 0.08 -0.79 3.45 5.08 -1.89 -1.39 114.58 119.07 2kf3 h GLU 29 Ca 0.05 -0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.54 2kf3 h GLU 29 Cb 0.17 -0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.26 2kf3 h GLU 29 CO -0.30 0.32 -0.20 0.00 -1.00 0.00 0.00 179.01 177.83 2kf3 h ALA 30 N 0.76 0.52 0.70 3.43 0.00 -0.40 0.98 119.26 125.25 2kf3 h ALA 30 Ca 0.01 0.31 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 2kf3 h ALA 30 Cb 0.28 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2kf3 h ALA 30 CO 0.00 -0.41 -0.38 1.96 0.00 0.00 0.00 179.25 180.43 2kf3 h GLN 31 N -0.00 -0.96 -0.09 0.00 4.20 0.24 -2.56 115.11 115.93 2kf3 h GLN 31 Ca 0.38 0.07 -0.00 0.00 0.06 0.00 0.00 58.65 59.15 2kf3 h GLN 31 Cb 0.58 0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 2kf3 h GLN 31 CO -0.81 -0.64 0.04 0.00 -0.67 0.00 0.00 178.83 176.75 2kf3 h ALA 32 N -0.73 1.91 0.00 3.87 0.00 -0.13 -0.97 119.26 123.19 2kf3 h ALA 32 Ca -0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2kf3 h ALA 32 Cb 0.79 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2kf3 h ALA 32 CO 0.13 0.08 -0.09 1.25 0.00 0.00 0.00 179.25 180.62 2kf3 h LEU 33 N 0.12 0.00 0.00 0.00 5.85 0.13 -3.45 115.31 117.97 2kf3 h LEU 33 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2kf3 h LEU 33 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2kf3 h LEU 33 CO -0.00 0.09 0.00 0.61 -0.34 0.00 0.00 178.44 178.80 2kf3 n GLY 34 N -0.94 0.84 3.79 3.75 0.00 -0.39 -5.07 105.19 107.16 2kf3 n GLY 34 Ca -0.02 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 2kf3 n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2kf3 s TRP 35 N 0.00 3.70 -0.06 1.61 -0.00 -1.00 -4.96 118.94 118.23 2kf3 s TRP 35 Ca 0.00 1.66 0.00 0.00 -0.00 0.00 0.00 56.10 57.76 2kf3 s TRP 35 Cb 0.00 -2.83 0.02 0.00 -0.00 0.00 0.00 33.47 30.67 2kf3 s TRP 35 CO 0.00 0.27 -0.03 0.08 -0.00 0.00 0.00 176.95 177.27 2kf3 s VAL 36 N -1.56 0.50 0.09 5.86 1.01 -1.26 -4.95 120.40 120.10 2kf3 s VAL 36 Ca 0.47 -0.04 -0.26 0.00 0.00 0.00 0.00 61.98 62.15 2kf3 s VAL 36 Cb -0.18 -0.58 -0.14 0.00 0.00 0.00 0.00 36.38 35.48 2kf3 s VAL 36 CO 0.23 0.25 1.68 0.00 0.00 0.00 0.00 175.10 177.26 2kf3 h ALA 37 N 7.69 -0.34 0.00 5.51 0.00 -1.99 0.72 119.26 130.84 2kf3 h ALA 37 Ca -0.30 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 2kf3 h ALA 37 Cb 1.14 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 2kf3 h ALA 37 CO 0.39 -0.71 0.16 -1.13 0.00 0.00 0.00 179.25 177.96 2kf3 n SER 38 N -5.27 2.27 0.00 0.00 3.41 -1.26 -2.94 113.62 109.83 2kf3 n SER 38 Ca -0.08 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 2kf3 n SER 38 Cb 0.19 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 2kf3 n SER 38 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2kf3 n LYS 39 N 2.82 0.00 -3.06 4.33 4.81 -1.04 -5.04 118.16 120.97 2kf3 n LYS 39 Ca 0.19 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.49 2kf3 n LYS 39 Cb 0.39 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.50 2kf3 n LYS 39 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kf3 n GLY 40 N -1.02 -0.67 3.80 3.14 0.00 0.25 -4.98 105.19 105.72 2kf3 n GLY 40 Ca 0.00 0.32 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 2kf3 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kf3 s ASN 41 N -3.59 4.74 0.03 1.61 4.22 -1.26 -4.48 114.94 116.20 2kf3 s ASN 41 Ca 0.27 1.47 0.00 0.00 -2.14 0.00 0.00 52.86 52.45 2kf3 s ASN 41 Cb -0.04 -2.24 0.00 0.00 1.28 0.00 0.00 41.25 40.25 2kf3 s ASN 41 CO 0.63 -1.83 0.00 -0.11 -2.04 0.00 0.00 177.10 173.75 2kf3 n LEU 42 N -3.36 -0.26 0.30 3.54 7.94 -1.26 -4.91 117.00 118.98 2kf3 n LEU 42 Ca 0.07 0.18 0.20 0.00 -1.11 0.00 0.00 56.01 55.35 2kf3 n LEU 42 Cb 0.55 0.43 1.06 0.00 0.53 0.00 0.00 43.42 45.99 2kf3 n LEU 42 CO 0.56 -0.05 1.10 0.00 -1.11 0.00 0.00 177.39 177.89 2kf3 h ALA 43 N 0.00 1.00 0.01 1.96 0.00 -1.80 0.69 119.26 121.12 2kf3 h ALA 43 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kf3 h ALA 43 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2kf3 h ALA 43 CO 0.00 0.00 -0.01 0.38 0.00 0.00 0.00 179.25 179.62 2kf3 h ASP 44 N 0.00 -0.02 0.73 0.00 2.03 -1.94 -2.38 116.42 114.83 2kf3 h ASP 44 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2kf3 h ASP 44 Cb 0.03 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 2kf3 h ASP 44 CO 0.00 0.23 0.00 1.33 -1.03 0.00 0.00 179.24 179.77 2kf3 n VAL 45 N -3.37 0.68 -2.99 4.15 0.24 -1.15 -4.09 118.33 111.80 2kf3 n VAL 45 Ca -0.00 0.15 -0.16 0.00 -2.04 0.00 0.00 64.34 62.28 2kf3 n VAL 45 Cb 0.01 -0.86 -0.02 0.00 -1.47 0.00 0.00 33.84 31.50 2kf3 n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kf3 n ALA 46 N -1.55 0.53 -1.68 2.33 0.00 0.24 -5.05 120.51 115.33 2kf3 n ALA 46 Ca 0.04 -2.35 -0.45 0.00 0.00 0.00 0.00 53.44 50.68 2kf3 n ALA 46 Cb 0.24 -1.08 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 2kf3 n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2kf3 n PRO 47 N 1.78 2.49 -2.94 0.00 -0.02 -0.90 -2.48 135.00 132.94 2kf3 n PRO 47 Ca 0.17 0.91 -0.10 0.00 -2.02 0.00 0.00 63.50 62.46 2kf3 n PRO 47 Cb 0.57 -2.78 0.03 0.00 -0.02 0.00 0.00 33.50 31.30 2kf3 n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kf3 n GLY 48 N 4.28 0.33 3.33 -1.23 0.00 -1.26 -5.04 105.19 105.60 2kf3 n GLY 48 Ca 0.20 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 2kf3 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kf3 s LYS 49 N -5.52 1.66 0.09 1.61 -0.14 -1.04 -4.84 119.74 111.57 2kf3 s LYS 49 Ca 0.24 -1.96 -0.13 0.00 -1.36 0.00 0.00 55.97 52.76 2kf3 s LYS 49 Cb -0.10 -0.01 0.02 0.00 -1.68 0.00 0.00 37.83 36.05 2kf3 s LYS 49 CO 0.29 -0.51 0.29 -1.12 -0.76 0.00 0.00 175.35 173.55 2kf3 s SER 50 N -3.39 -0.07 -0.02 2.83 0.01 0.31 -4.84 113.70 108.54 2kf3 s SER 50 Ca 0.36 -0.42 -0.28 0.00 1.31 0.00 0.00 55.95 56.92 2kf3 s SER 50 Cb 0.04 0.39 -0.03 0.00 0.21 0.00 0.00 66.02 66.63 2kf3 s SER 50 CO 0.20 -0.75 0.87 -0.63 0.41 0.00 0.00 173.24 173.34 2kf3 s ILE 51 N -3.54 4.91 0.00 1.44 -1.09 -1.26 -0.74 121.20 120.93 2kf3 s ILE 51 Ca 0.02 1.83 0.00 0.00 -2.23 0.00 0.00 60.65 60.27 2kf3 s ILE 51 Cb 0.02 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 36.69 2kf3 s ILE 51 CO -0.10 0.21 0.00 0.61 -1.23 0.00 0.00 174.94 174.43 2kf3 n GLY 52 N 2.92 2.55 0.00 6.18 0.00 0.12 0.36 105.19 117.33 2kf3 n GLY 52 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2kf3 n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kf3 n GLY 53 N -0.68 1.97 0.00 -0.02 0.00 -0.69 -1.34 105.19 104.43 2kf3 n GLY 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kf3 n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kf3 n ASP 54 N 0.00 0.00 -4.10 1.61 9.92 -1.26 -4.88 116.55 117.84 2kf3 n ASP 54 Ca 0.00 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 54.03 2kf3 n ASP 54 Cb 0.00 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.33 2kf3 n ASP 54 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2kf3 s ILE 55 N 0.00 1.13 -0.76 0.53 1.09 -1.26 -4.02 121.20 117.91 2kf3 s ILE 55 Ca 0.00 -0.60 -0.10 0.00 -1.10 0.00 0.00 60.65 58.85 2kf3 s ILE 55 Cb 0.00 -0.95 0.20 0.00 -1.06 0.00 0.00 42.46 40.65 2kf3 s ILE 55 CO 0.00 0.32 0.66 0.12 -0.10 0.00 0.00 174.94 175.94 2kf3 s PHE 56 N -0.22 3.64 0.00 3.97 2.19 0.27 -4.80 117.98 123.03 2kf3 s PHE 56 Ca 0.03 -2.22 0.00 0.00 0.33 0.00 0.00 56.93 55.07 2kf3 s PHE 56 Cb -0.07 -3.62 0.00 0.00 -1.31 0.00 0.00 43.02 38.03 2kf3 s PHE 56 CO -0.00 -0.94 0.00 -1.13 1.83 0.00 0.00 175.22 174.98 2kf3 n SER 57 N 3.82 0.00 -3.73 6.13 3.41 -1.26 -4.38 113.62 117.61 2kf3 n SER 57 Ca 0.11 -0.60 -0.30 0.00 -0.26 0.00 0.00 58.87 57.83 2kf3 n SER 57 Cb 0.44 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.33 2kf3 n SER 57 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2kf3 n ASN 58 N 1.59 -1.41 -1.69 4.04 5.15 -1.26 -4.66 115.26 117.02 2kf3 n ASN 58 Ca 0.00 -0.80 0.00 0.00 -0.60 0.00 0.00 54.58 53.18 2kf3 n ASN 58 Cb 0.00 -1.25 0.00 0.00 -0.53 0.00 0.00 39.78 38.00 2kf3 n ASN 58 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2kf3 n ARG 59 N -3.23 0.48 0.00 1.20 1.74 -1.26 -1.99 116.66 113.59 2kf3 n ARG 59 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2kf3 n ARG 59 Cb 0.38 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 2kf3 n ARG 59 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2kf3 n GLU 60 N 1.67 0.30 -2.73 5.56 1.02 -1.26 -5.02 120.64 120.17 2kf3 n GLU 60 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 2kf3 n GLU 60 Cb 0.24 -0.02 0.02 0.00 -0.02 0.00 0.00 31.44 31.65 2kf3 n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kf3 n GLY 61 N 0.00 -0.42 0.32 0.62 0.00 -0.84 -4.86 105.19 100.01 2kf3 n GLY 61 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2kf3 n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kf3 n LYS 62 N -3.41 2.50 -4.31 1.61 5.02 -1.26 -4.99 118.16 113.31 2kf3 n LYS 62 Ca -0.15 -1.66 -0.18 0.00 -2.02 0.00 0.00 58.31 54.30 2kf3 n LYS 62 Cb 0.63 -1.14 -0.14 0.00 -0.02 0.00 0.00 35.03 34.37 2kf3 n LYS 62 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kf3 s LEU 63 N -0.93 2.09 0.12 -0.35 1.43 -1.26 -5.02 118.68 114.76 2kf3 s LEU 63 Ca 0.11 -0.29 -0.31 0.00 -1.03 0.00 0.00 54.13 52.61 2kf3 s LEU 63 Cb 0.06 -0.45 -0.10 0.00 0.03 0.00 0.00 46.19 45.73 2kf3 s LEU 63 CO 0.08 0.04 1.75 -2.16 0.23 0.00 0.00 176.35 176.30 2kf3 s PRO 64 N -0.65 4.16 0.06 1.29 0.04 -1.26 -5.02 135.00 133.62 2kf3 s PRO 64 Ca 0.01 2.51 0.01 0.00 0.04 0.00 0.00 61.00 63.57 2kf3 s PRO 64 Cb -0.05 -3.51 0.01 0.00 0.04 0.00 0.00 34.50 30.98 2kf3 s PRO 64 CO 0.00 -0.79 0.08 0.41 0.04 0.00 0.00 177.00 176.74 2kf3 n GLY 65 N 4.11 2.04 0.00 0.56 0.00 -1.26 -5.02 105.19 105.62 2kf3 n GLY 65 Ca 0.17 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 44.04 2kf3 n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kf3 n LYS 66 N -1.08 0.00 -0.37 1.61 4.81 -1.26 -5.00 118.16 116.87 2kf3 n LYS 66 Ca 0.01 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.36 2kf3 n LYS 66 Cb 0.06 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.09 2kf3 n LYS 66 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2kf3 n SER 67 N 0.00 2.36 0.00 3.14 3.41 -1.26 -3.62 113.62 117.65 2kf3 n SER 67 Ca 0.00 -2.06 0.00 0.00 -0.26 0.00 0.00 58.87 56.55 2kf3 n SER 67 Cb 0.00 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 2kf3 n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kf3 n GLY 68 N 3.57 -0.60 3.63 5.00 0.00 -1.26 -5.19 105.19 110.35 2kf3 n GLY 68 Ca 0.21 0.27 -0.01 0.00 0.00 0.00 0.00 46.02 46.49 2kf3 n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kf3 s ARG 69 N 0.00 0.54 0.05 1.61 3.52 -1.24 -5.02 118.95 118.41 2kf3 s ARG 69 Ca 0.00 -0.28 -0.06 0.00 -0.13 0.00 0.00 55.73 55.26 2kf3 s ARG 69 Cb 0.00 0.20 -0.01 0.00 -1.56 0.00 0.00 34.95 33.58 2kf3 s ARG 69 CO 0.00 -0.25 0.11 0.99 -0.81 0.00 0.00 175.30 175.35 2kf3 s THR 70 N -2.61 0.14 -0.02 4.11 2.01 -1.26 -4.93 115.64 113.08 2kf3 s THR 70 Ca 0.13 -1.13 0.05 0.00 0.31 0.00 0.00 61.69 61.05 2kf3 s THR 70 Cb 0.02 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.52 2kf3 s THR 70 CO -0.03 -0.62 -0.17 0.26 -0.69 0.00 0.00 174.62 173.36 2kf3 s TRP 71 N -2.86 1.61 0.11 4.92 0.52 -1.26 -0.07 118.94 121.91 2kf3 s TRP 71 Ca -0.03 -0.35 0.05 0.00 0.02 0.00 0.00 56.10 55.80 2kf3 s TRP 71 Cb 0.00 -1.05 -0.04 0.00 -1.15 0.00 0.00 33.47 31.23 2kf3 s TRP 71 CO -0.06 -0.06 -0.13 1.03 0.02 0.00 0.00 176.95 177.75 2kf3 s ARG 72 N -0.29 0.96 0.37 4.98 0.52 -0.37 0.95 118.95 126.06 2kf3 s ARG 72 Ca 0.04 -1.19 0.08 0.00 -0.52 0.00 0.00 55.73 54.14 2kf3 s ARG 72 Cb -0.08 -0.81 -0.07 0.00 0.52 0.00 0.00 34.95 34.52 2kf3 s ARG 72 CO 0.00 0.15 -0.01 -1.83 0.02 0.00 0.00 175.30 173.64 2kf3 s GLU 73 N -2.60 1.97 -0.28 3.54 -1.05 -1.26 -1.33 118.70 117.69 2kf3 s GLU 73 Ca 0.07 -1.93 -0.22 0.00 -0.15 0.00 0.00 54.97 52.74 2kf3 s GLU 73 Cb -0.05 -1.77 0.11 0.00 -0.44 0.00 0.00 34.13 31.98 2kf3 s GLU 73 CO 0.02 0.05 0.89 0.00 0.95 0.00 0.00 175.26 177.18 2kf3 s ALA 74 N -2.62 -1.98 0.69 -0.84 0.00 -0.64 -1.71 121.76 114.66 2kf3 s ALA 74 Ca 0.35 2.08 -0.17 0.00 0.00 0.00 0.00 51.96 54.22 2kf3 s ALA 74 Cb 0.04 -1.44 0.01 0.00 0.00 0.00 0.00 23.12 21.74 2kf3 s ALA 74 CO 0.18 -0.31 1.26 -0.51 0.00 0.00 0.00 175.76 176.39 2kf3 s ASP 75 N 0.74 4.37 0.01 0.00 1.11 0.16 -1.43 116.67 121.64 2kf3 s ASP 75 Ca -0.02 2.53 0.01 0.00 0.18 0.00 0.00 52.55 55.25 2kf3 s ASP 75 Cb -0.05 -2.61 -0.01 0.00 1.07 0.00 0.00 42.92 41.32 2kf3 s ASP 75 CO -0.09 -2.16 -0.05 -0.63 1.18 0.00 0.00 175.17 173.43 2kf3 s ILE 76 N -1.62 0.34 -0.85 0.77 -1.09 -0.92 -4.74 121.20 113.08 2kf3 s ILE 76 Ca 0.80 -0.49 -0.02 0.00 -2.23 0.00 0.00 60.65 58.70 2kf3 s ILE 76 Cb -0.35 -0.35 -0.03 0.00 -1.58 0.00 0.00 42.46 40.16 2kf3 s ILE 76 CO 0.42 -0.11 0.78 0.59 -1.23 0.00 0.00 174.94 175.39 2kf3 n ASN 77 N 2.42 -7.29 -4.36 3.58 3.02 0.15 -4.60 115.26 108.17 2kf3 n ASN 77 Ca -0.17 -0.32 -0.19 0.00 -0.03 0.00 0.00 54.58 53.88 2kf3 n ASN 77 Cb 0.57 -5.23 -0.10 0.00 -0.61 0.00 0.00 39.78 34.42 2kf3 n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2kf3 s TYR 78 N -3.15 1.75 0.00 3.10 5.04 -1.26 -4.96 117.35 117.86 2kf3 s TYR 78 Ca 0.18 -0.64 0.00 0.00 -2.44 0.00 0.00 57.07 54.17 2kf3 s TYR 78 Cb -0.02 -0.88 0.00 0.00 0.35 0.00 0.00 41.96 41.41 2kf3 s TYR 78 CO 0.74 0.30 0.00 0.25 -1.34 0.00 0.00 175.55 175.50 2kf3 n THR 79 N -0.43 0.00 -3.38 4.34 -2.24 -1.26 -4.95 114.28 106.36 2kf3 n THR 79 Ca -0.07 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.58 2kf3 n THR 79 Cb 0.61 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.75 2kf3 n THR 79 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2kf3 s SER 80 N 0.56 0.82 0.00 3.42 0.15 -1.26 -4.53 113.70 112.86 2kf3 s SER 80 Ca 0.00 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2kf3 s SER 80 Cb 0.00 0.83 0.00 0.00 -1.71 0.00 0.00 66.02 65.14 2kf3 s SER 80 CO 0.00 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.72 2kf3 n GLY 81 N 5.34 -0.99 0.00 9.45 0.00 -1.26 -4.97 105.19 112.76 2kf3 n GLY 81 Ca -0.03 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2kf3 n GLY 81 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2kf3 n PHE 82 N 0.00 0.00 0.00 1.61 7.35 -1.26 -4.30 117.46 120.85 2kf3 n PHE 82 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2kf3 n PHE 82 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 2kf3 n PHE 82 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2kf3 n ARG 83 N 0.00 2.22 0.00 -4.13 1.74 -1.26 -4.87 116.66 110.37 2kf3 n ARG 83 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2kf3 n ARG 83 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2kf3 n ARG 83 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2kf3 n ASN 84 N 0.00 0.00 -0.15 0.55 0.23 -1.26 -5.03 115.26 109.60 2kf3 n ASN 84 Ca 0.00 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.15 2kf3 n ASN 84 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.62 2kf3 n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2kf3 n SER 85 N 0.00 1.28 -4.61 0.53 3.41 -1.26 -4.72 113.62 108.24 2kf3 n SER 85 Ca 0.00 -1.14 -0.42 0.00 -0.26 0.00 0.00 58.87 57.05 2kf3 n SER 85 Cb 0.00 0.84 -0.05 0.00 -0.26 0.00 0.00 64.21 64.74 2kf3 n SER 85 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2kf3 s ASP 86 N -2.75 6.66 0.02 4.04 2.15 -1.26 -1.38 116.67 124.15 2kf3 s ASP 86 Ca 0.11 0.63 0.00 0.00 0.43 0.00 0.00 52.55 53.72 2kf3 s ASP 86 Cb 0.16 -2.41 -0.02 0.00 -0.30 0.00 0.00 42.92 40.35 2kf3 s ASP 86 CO 0.74 -0.64 -0.04 -0.13 -0.17 0.00 0.00 175.17 174.93 2kf3 s ARG 87 N 3.00 0.34 -0.05 4.34 1.81 -1.17 -2.16 118.95 125.06 2kf3 s ARG 87 Ca 0.33 -0.61 0.06 0.00 -1.72 0.00 0.00 55.73 53.79 2kf3 s ARG 87 Cb -0.14 0.03 -0.01 0.00 -0.45 0.00 0.00 34.95 34.37 2kf3 s ARG 87 CO 0.13 -0.03 -0.25 -1.50 -0.68 0.00 0.00 175.30 172.98 2kf3 s ILE 88 N -1.37 2.12 -0.18 1.52 2.07 -0.51 -1.12 121.20 123.72 2kf3 s ILE 88 Ca -0.14 -1.05 -0.02 0.00 -1.41 0.00 0.00 60.65 58.02 2kf3 s ILE 88 Cb -0.09 -1.76 -0.01 0.00 0.13 0.00 0.00 42.46 40.72 2kf3 s ILE 88 CO -0.01 0.57 -0.08 -0.76 -1.91 0.00 0.00 174.94 172.76 2kf3 s LEU 89 N -0.24 2.84 -0.13 8.50 2.01 0.43 -1.62 118.68 130.46 2kf3 s LEU 89 Ca -0.01 -0.35 0.01 0.00 0.01 0.00 0.00 54.13 53.79 2kf3 s LEU 89 Cb -0.13 -1.69 -0.00 0.00 0.01 0.00 0.00 46.19 44.38 2kf3 s LEU 89 CO 0.03 0.07 -0.17 -0.72 1.01 0.00 0.00 176.35 176.57 2kf3 s TYR 90 N 0.94 2.73 0.33 0.29 1.13 -0.45 0.96 117.35 123.29 2kf3 s TYR 90 Ca -0.01 -0.94 -0.01 0.00 -1.41 0.00 0.00 57.07 54.70 2kf3 s TYR 90 Cb -0.15 -1.83 -0.04 0.00 -1.10 0.00 0.00 41.96 38.85 2kf3 s TYR 90 CO 0.00 -0.39 0.55 -1.54 -2.51 0.00 0.00 175.55 171.66 2kf3 s SER 91 N 0.56 6.32 0.56 -0.18 1.04 0.24 -1.24 113.70 121.01 2kf3 s SER 91 Ca -0.10 0.52 0.35 0.00 0.48 0.00 0.00 55.95 57.19 2kf3 s SER 91 Cb -0.16 -2.06 1.45 0.00 0.10 0.00 0.00 66.02 65.35 2kf3 s SER 91 CO 0.04 -0.28 2.01 0.77 0.98 0.00 0.00 173.24 176.76 2kf3 h SER 92 N 0.96 0.00 -0.06 7.02 4.64 -0.82 -1.99 113.55 123.31 2kf3 h SER 92 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2kf3 h SER 92 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2kf3 h SER 92 CO 0.63 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 177.06 2kf3 n ASP 93 N -3.08 0.34 -0.29 4.97 8.00 -1.26 -4.84 116.55 120.40 2kf3 n ASP 93 Ca 0.00 -1.93 -0.02 0.00 0.71 0.00 0.00 54.79 53.55 2kf3 n ASP 93 Cb 0.29 -0.04 -0.00 0.00 -0.02 0.00 0.00 41.12 41.34 2kf3 n ASP 93 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 2kf3 n TRP 94 N -0.35 -0.12 -4.05 1.24 -0.00 -0.75 -5.04 117.44 108.37 2kf3 n TRP 94 Ca 0.04 0.00 -0.36 0.00 -0.00 0.00 0.00 57.50 57.18 2kf3 n TRP 94 Cb 0.06 -1.34 -0.08 0.00 -0.00 0.00 0.00 31.31 29.96 2kf3 n TRP 94 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2kf3 s LEU 95 N -0.71 4.02 -0.24 5.87 1.43 -1.24 -4.92 118.68 122.89 2kf3 s LEU 95 Ca 0.00 0.28 -0.05 0.00 -1.03 0.00 0.00 54.13 53.34 2kf3 s LEU 95 Cb -0.00 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 2kf3 s LEU 95 CO 0.00 0.34 -0.00 -0.63 0.23 0.00 0.00 176.35 176.29 2kf3 s ILE 96 N -0.65 3.62 -0.00 -0.59 -1.09 -1.26 -0.59 121.20 120.64 2kf3 s ILE 96 Ca 0.12 -0.49 0.08 0.00 -2.23 0.00 0.00 60.65 58.13 2kf3 s ILE 96 Cb -0.12 -2.70 -0.02 0.00 -1.58 0.00 0.00 42.46 38.03 2kf3 s ILE 96 CO 0.02 0.34 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.52 2kf3 s TYR 97 N 1.50 2.38 0.05 3.97 1.51 0.27 -2.17 117.35 124.87 2kf3 s TYR 97 Ca 0.05 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.77 2kf3 s TYR 97 Cb -0.15 -1.48 -0.03 0.00 -0.11 0.00 0.00 41.96 40.19 2kf3 s TYR 97 CO -0.01 0.05 -0.13 0.21 -1.11 0.00 0.00 175.55 174.56 2kf3 s LYS 98 N -0.86 0.80 0.35 -0.62 2.47 0.13 0.16 119.74 122.18 2kf3 s LYS 98 Ca 0.11 -0.84 0.04 0.00 -1.56 0.00 0.00 55.97 53.72 2kf3 s LYS 98 Cb -0.10 -0.78 -0.05 0.00 -1.46 0.00 0.00 37.83 35.44 2kf3 s LYS 98 CO 0.00 0.18 0.08 -0.08 0.16 0.00 0.00 175.35 175.69 2kf3 s THR 99 N -1.11 0.99 0.00 3.43 -1.32 -0.28 -0.47 115.64 116.89 2kf3 s THR 99 Ca -0.02 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.46 2kf3 s THR 99 Cb -0.09 -2.64 0.00 0.00 -1.51 0.00 0.00 72.50 68.26 2kf3 s THR 99 CO 0.02 0.00 0.00 0.35 -2.21 0.00 0.00 174.62 172.78 2kf3 n THR 100 N -0.76 0.00 -1.16 5.08 -2.24 -1.22 -3.02 114.28 110.97 2kf3 n THR 100 Ca -0.04 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.81 2kf3 n THR 100 Cb 0.66 1.10 0.20 0.00 -2.10 0.00 0.00 70.33 70.19 2kf3 n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2kf3 n ASP 101 N 0.00 2.88 -1.86 3.42 5.68 -1.14 -4.26 116.55 121.27 2kf3 n ASP 101 Ca 0.00 -3.25 -0.02 0.00 -0.50 0.00 0.00 54.79 51.01 2kf3 n ASP 101 Cb 0.17 -0.52 0.01 0.00 -1.14 0.00 0.00 41.12 39.65 2kf3 n ASP 101 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kf3 n ALA 102 N -1.02 -1.09 0.00 2.12 0.00 -0.48 -3.67 120.51 116.37 2kf3 n ALA 102 Ca 0.21 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2kf3 n ALA 102 Cb 0.80 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.91 2kf3 n ALA 102 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2kf3 n TYR 103 N -1.71 0.00 0.00 0.00 4.01 -1.26 -4.86 117.16 113.33 2kf3 n TYR 103 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2kf3 n TYR 103 Cb 0.52 -0.50 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 2kf3 n TYR 103 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2kf3 n GLN 104 N -1.95 0.00 -2.67 -0.72 6.02 -1.24 -4.74 117.38 112.07 2kf3 n GLN 104 Ca 0.00 0.54 -0.17 0.00 -0.01 0.00 0.00 57.00 57.36 2kf3 n GLN 104 Cb 0.00 -1.36 0.06 0.00 1.02 0.00 0.00 30.24 29.97 2kf3 n GLN 104 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2kf3 n THR 105 N -1.88 0.00 -3.64 5.09 -2.24 -1.26 -5.06 114.28 105.29 2kf3 n THR 105 Ca 0.00 -1.65 -0.09 0.00 -2.27 0.00 0.00 64.05 60.04 2kf3 n THR 105 Cb 0.00 -0.61 -0.07 0.00 -2.10 0.00 0.00 70.33 67.55 2kf3 n THR 105 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2kf3 s PHE 106 N -2.15 -0.94 0.00 4.78 0.08 -1.26 -4.60 117.98 113.89 2kf3 s PHE 106 Ca 0.53 2.00 0.05 0.00 0.12 0.00 0.00 56.93 59.63 2kf3 s PHE 106 Cb -0.04 0.50 -0.02 0.00 -0.57 0.00 0.00 43.02 42.89 2kf3 s PHE 106 CO 0.34 -0.46 -0.17 0.99 -0.10 0.00 0.00 175.22 175.82 2kf3 s THR 107 N 1.18 1.33 0.10 0.64 2.01 0.38 -4.98 115.64 116.31 2kf3 s THR 107 Ca -0.06 -0.82 -0.22 0.00 0.31 0.00 0.00 61.69 60.90 2kf3 s THR 107 Cb -0.05 -1.13 -0.07 0.00 0.01 0.00 0.00 72.50 71.26 2kf3 s THR 107 CO -0.13 0.30 0.67 -0.75 -0.69 0.00 0.00 174.62 174.02 2kf3 s LYS 108 N -0.60 4.38 -0.08 4.92 2.20 -1.26 -0.69 119.74 128.60 2kf3 s LYS 108 Ca 0.06 0.93 0.06 0.00 -0.36 0.00 0.00 55.97 56.66 2kf3 s LYS 108 Cb -0.07 -3.27 -0.09 0.00 -1.51 0.00 0.00 37.83 32.89 2kf3 s LYS 108 CO -0.00 0.56 0.00 0.44 -0.36 0.00 0.00 175.35 175.99 2kf3 n ILE 109 N 1.86 0.56 -1.28 5.43 -5.35 -0.92 -4.91 119.36 114.75 2kf3 n ILE 109 Ca -0.07 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 2kf3 n ILE 109 Cb 0.50 -0.80 0.00 0.00 -1.74 0.00 0.00 39.64 37.59 2kf3 n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33