#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfj n LEU 2 N 0.00 1.92 -4.16 1.53 4.32 -1.26 -4.97 117.00 114.38 2kfj n LEU 2 Ca 0.00 0.38 -0.29 0.00 -0.02 0.00 0.00 56.01 56.08 2kfj n LEU 2 Cb 0.00 -0.86 -0.09 0.00 -1.62 0.00 0.00 43.42 40.86 2kfj n LEU 2 CO 0.00 0.32 -0.39 0.61 -1.22 0.00 0.00 177.39 176.71 2kfj n GLY 3 N 1.35 -0.14 3.14 -0.72 0.00 -1.26 -4.91 105.19 102.65 2kfj n GLY 3 Ca -0.40 0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 2kfj n GLY 3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kfj s SER 4 N -4.08 1.33 0.03 1.61 1.04 -1.26 -3.50 113.70 108.86 2kfj s SER 4 Ca 0.11 -0.69 0.05 0.00 0.48 0.00 0.00 55.95 55.89 2kfj s SER 4 Cb -0.06 0.00 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 2kfj s SER 4 CO 0.91 -0.20 -0.14 -0.63 0.98 0.00 0.00 173.24 174.16 2kfj s ILE 5 N -1.87 1.07 0.04 -1.02 1.01 -1.04 -4.92 121.20 114.47 2kfj s ILE 5 Ca -0.01 -0.92 -0.01 0.00 0.00 0.00 0.00 60.65 59.72 2kfj s ILE 5 Cb -0.07 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 2kfj s ILE 5 CO 0.01 0.04 0.19 -0.22 0.00 0.00 0.00 174.94 174.95 2kfj s LEU 6 N -1.00 4.30 -0.19 2.97 1.98 -0.95 -0.66 118.68 125.12 2kfj s LEU 6 Ca 0.02 0.27 0.01 0.00 -2.89 0.00 0.00 54.13 51.53 2kfj s LEU 6 Cb -0.07 -2.79 0.04 0.00 0.66 0.00 0.00 46.19 44.03 2kfj s LEU 6 CO 0.01 0.20 -0.10 -0.36 -1.89 0.00 0.00 176.35 174.21 2kfj s PHE 7 N -1.43 2.31 -1.14 5.38 0.40 0.13 0.11 117.98 123.75 2kfj s PHE 7 Ca 0.32 -1.50 -0.12 0.00 -0.60 0.00 0.00 56.93 55.03 2kfj s PHE 7 Cb -0.13 -1.60 0.21 0.00 0.51 0.00 0.00 43.02 42.01 2kfj s PHE 7 CO 0.24 -0.72 1.26 0.50 0.70 0.00 0.00 175.22 177.20 2kfj s ARG 8 N 1.43 4.09 1.01 0.44 3.52 0.13 0.86 118.95 130.43 2kfj s ARG 8 Ca -0.00 -2.78 -0.12 0.00 -0.13 0.00 0.00 55.73 52.70 2kfj s ARG 8 Cb -0.16 -4.83 0.20 0.00 -1.56 0.00 0.00 34.95 28.60 2kfj s ARG 8 CO -0.08 -1.54 1.08 0.42 -0.81 0.00 0.00 175.30 174.36 2kfj s ILE 9 N 0.47 2.24 -0.18 4.11 1.09 0.15 -0.21 121.20 128.87 2kfj s ILE 9 Ca 0.36 0.08 -0.28 0.00 -1.10 0.00 0.00 60.65 59.71 2kfj s ILE 9 Cb -0.06 -2.36 0.10 0.00 -1.06 0.00 0.00 42.46 39.08 2kfj s ILE 9 CO -0.04 -0.10 0.88 -0.55 -0.10 0.00 0.00 174.94 175.02 2kfj s SER 10 N -3.02 -0.53 0.35 3.58 0.15 0.43 0.37 113.70 115.03 2kfj s SER 10 Ca 0.66 0.79 -0.06 0.00 0.70 0.00 0.00 55.95 58.04 2kfj s SER 10 Cb -0.21 0.72 0.01 0.00 -1.71 0.00 0.00 66.02 64.83 2kfj s SER 10 CO 0.60 -0.34 0.54 -0.47 1.20 0.00 0.00 173.24 174.77 2kfj s TYR 11 N -0.51 0.83 0.56 3.44 5.04 -0.64 0.18 117.35 126.24 2kfj s TYR 11 Ca -0.02 -1.16 0.46 0.00 -2.44 0.00 0.00 57.07 53.91 2kfj s TYR 11 Cb -0.02 0.12 1.59 0.00 0.35 0.00 0.00 41.96 44.00 2kfj s TYR 11 CO 0.02 -1.22 1.51 0.09 -1.34 0.00 0.00 175.55 174.60 2kfj n ASN 12 N -1.36 0.00 0.00 4.32 3.02 -1.25 -2.65 115.26 117.34 2kfj n ASN 12 Ca -0.01 0.95 0.00 0.00 -0.03 0.00 0.00 54.58 55.49 2kfj n ASN 12 Cb 0.61 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 2kfj n ASN 12 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2kfj n SER 13 N -3.80 0.00 -1.36 6.41 2.88 -1.26 -5.08 113.62 111.42 2kfj n SER 13 Ca 0.41 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.92 2kfj n SER 13 Cb 1.94 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 65.38 2kfj n SER 13 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2kfj n GLU 14 N 0.00 0.08 -3.77 -1.46 -0.58 -1.08 -5.14 120.64 108.68 2kfj n GLU 14 Ca 0.00 -0.53 -0.36 0.00 -0.42 0.00 0.00 57.16 55.85 2kfj n GLU 14 Cb 0.00 0.44 -0.11 0.00 -0.57 0.00 0.00 31.44 31.20 2kfj n GLU 14 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2kfj s ILE 15 N -2.27 4.69 0.49 -3.67 1.01 -1.26 -1.63 121.20 118.56 2kfj s ILE 15 Ca 0.06 -0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.71 2kfj s ILE 15 Cb 0.00 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.27 2kfj s ILE 15 CO 0.04 0.34 0.14 -0.36 0.00 0.00 0.00 174.94 175.11 2kfj s PHE 16 N 1.37 2.02 0.14 3.97 0.08 0.16 -4.95 117.98 120.77 2kfj s PHE 16 Ca 0.06 -0.82 0.08 0.00 0.12 0.00 0.00 56.93 56.36 2kfj s PHE 16 Cb -0.15 -1.78 -0.04 0.00 -0.57 0.00 0.00 43.02 40.49 2kfj s PHE 16 CO 0.05 0.07 -0.17 0.95 -0.10 0.00 0.00 175.22 176.01 2kfj s THR 17 N -2.78 1.63 -0.24 0.64 -4.23 -1.26 0.32 115.64 109.73 2kfj s THR 17 Ca 0.23 -1.79 -0.10 0.00 -1.18 0.00 0.00 61.69 58.85 2kfj s THR 17 Cb 0.02 -1.69 0.09 0.00 1.34 0.00 0.00 72.50 72.27 2kfj s THR 17 CO 0.13 -0.31 0.55 -0.22 -0.54 0.00 0.00 174.62 174.23 2kfj s LEU 18 N -2.47 -0.76 -0.17 4.79 1.98 0.25 -4.88 118.68 117.42 2kfj s LEU 18 Ca 0.12 1.26 -0.29 0.00 -2.89 0.00 0.00 54.13 52.33 2kfj s LEU 18 Cb -0.06 1.86 -0.01 0.00 0.66 0.00 0.00 46.19 48.64 2kfj s LEU 18 CO 0.05 -0.22 1.12 -0.22 -1.89 0.00 0.00 176.35 175.19 2kfj s LEU 19 N 2.27 4.17 -0.19 -0.68 1.98 -1.26 0.22 118.68 125.19 2kfj s LEU 19 Ca -0.06 1.55 0.00 0.00 -2.89 0.00 0.00 54.13 52.73 2kfj s LEU 19 Cb -0.10 -3.54 0.04 0.00 0.66 0.00 0.00 46.19 43.25 2kfj s LEU 19 CO -0.16 -0.65 -0.09 0.54 -1.89 0.00 0.00 176.35 174.09 2kfj s VAL 20 N 2.98 1.49 1.15 1.68 0.11 0.16 -4.95 120.40 123.02 2kfj s VAL 20 Ca 0.49 -0.88 -0.15 0.00 -2.93 0.00 0.00 61.98 58.52 2kfj s VAL 20 Cb -0.19 -1.58 0.23 0.00 -1.53 0.00 0.00 36.38 33.31 2kfj s VAL 20 CO 0.12 0.18 0.68 -0.62 -3.33 0.00 0.00 175.10 172.13 2kfj n GLU 21 N 4.74 -2.14 -0.31 1.54 -0.58 -1.26 -2.49 120.64 120.14 2kfj n GLU 21 Ca -0.14 -0.60 0.05 0.00 -0.42 0.00 0.00 57.16 56.05 2kfj n GLU 21 Cb 0.47 -2.01 0.18 0.00 -0.57 0.00 0.00 31.44 29.51 2kfj n GLU 21 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2kfj n LYS 22 N -3.96 2.38 -0.04 3.49 5.02 -1.23 -3.62 118.16 120.19 2kfj n LYS 22 Ca 0.02 -1.41 -0.06 0.00 -2.02 0.00 0.00 58.31 54.85 2kfj n LYS 22 Cb 0.57 -1.59 -0.05 0.00 -0.02 0.00 0.00 35.03 33.94 2kfj n LYS 22 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2kfj n VAL 23 N 0.42 0.52 -1.54 -0.18 3.14 -1.26 -4.90 118.33 114.52 2kfj n VAL 23 Ca 0.13 -0.23 -0.25 0.00 -2.96 0.00 0.00 64.34 61.03 2kfj n VAL 23 Cb 0.51 -0.82 -0.08 0.00 -1.06 0.00 0.00 33.84 32.39 2kfj n VAL 23 CO 0.00 0.00 0.00 0.79 -6.46 0.00 0.00 176.83 171.16 2kfj n TRP 24 N -2.63 1.08 -0.48 1.45 7.02 -1.24 -4.88 117.44 117.77 2kfj n TRP 24 Ca -0.15 0.07 -0.25 0.00 -1.02 0.00 0.00 57.50 56.15 2kfj n TRP 24 Cb 0.69 -2.37 0.20 0.00 -2.42 0.00 0.00 31.31 27.41 2kfj n TRP 24 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 2kfj n ASN 25 N 15.56 -3.05 -0.27 -0.99 6.94 -1.26 -4.09 115.26 128.10 2kfj n ASN 25 Ca 0.48 -0.43 0.24 0.00 -0.02 0.00 0.00 54.58 54.84 2kfj n ASN 25 Cb 0.40 -0.91 0.57 0.00 -2.36 0.00 0.00 39.78 37.48 2kfj n ASN 25 CO 0.00 0.00 0.00 2.19 -1.03 0.00 0.00 177.26 178.42 2kfj h PHE 26 N -2.80 0.44 0.41 -2.53 -5.15 -1.90 0.47 116.94 105.89 2kfj h PHE 26 Ca -0.39 0.01 -0.02 0.00 -0.20 0.00 0.00 57.97 57.38 2kfj h PHE 26 Cb 1.10 -0.13 0.00 0.00 0.22 0.00 0.00 35.95 37.14 2kfj h PHE 26 CO -2.19 0.08 -0.20 0.22 -2.00 0.00 0.00 178.31 174.22 2kfj h ASP 27 N 0.30 -0.47 -0.17 -0.68 -0.00 -1.93 0.17 116.42 113.64 2kfj h ASP 27 Ca 0.51 0.02 0.05 0.00 -0.00 0.00 0.00 57.03 57.61 2kfj h ASP 27 Cb 1.48 0.12 -0.01 0.00 -0.00 0.00 0.00 39.33 40.93 2kfj h ASP 27 CO -0.17 -0.28 0.26 0.44 -0.00 0.00 0.00 179.24 179.49 2kfj h ASP 28 N -0.67 0.00 0.30 2.28 5.19 -1.62 0.18 116.42 122.08 2kfj h ASP 28 Ca -0.06 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.34 2kfj h ASP 28 Cb 0.43 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.94 2kfj h ASP 28 CO 0.09 0.00 -0.14 0.25 -3.12 0.00 0.00 179.24 176.32 2kfj h LEU 29 N 0.00 -0.34 -2.88 1.55 5.85 0.24 0.75 115.31 120.48 2kfj h LEU 29 Ca 0.08 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2kfj h LEU 29 Cb 0.60 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 2kfj h LEU 29 CO -0.00 0.12 -0.00 0.40 -0.34 0.00 0.00 178.44 178.62 2kfj h ILE 30 N -0.93 0.02 0.00 4.05 1.08 0.69 0.10 117.51 122.52 2kfj h ILE 30 Ca -0.04 -0.04 -0.12 0.00 -0.39 0.00 0.00 64.86 64.27 2kfj h ILE 30 Cb 0.51 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 35.27 2kfj h ILE 30 CO 0.07 0.00 -1.53 0.23 -0.69 0.00 0.00 178.15 176.23 2kfj n MET 31 N -3.10 0.63 -0.03 2.37 2.81 -0.08 -2.48 117.12 117.23 2kfj n MET 31 Ca -0.03 0.10 -0.14 0.00 -1.81 0.00 0.00 57.70 55.83 2kfj n MET 31 Cb 0.09 -1.73 -0.10 0.00 -0.71 0.00 0.00 33.22 30.77 2kfj n MET 31 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kfj h ALA 32 N 1.60 0.06 -0.13 3.04 0.00 0.31 -2.55 119.26 121.60 2kfj h ALA 32 Ca -0.14 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.26 2kfj h ALA 32 Cb 1.43 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.22 2kfj h ALA 32 CO 0.03 -0.07 -0.59 0.82 0.00 0.00 0.00 179.25 179.43 2kfj h ILE 33 N -0.40 1.33 -0.37 0.00 5.03 -1.47 -2.73 117.51 118.90 2kfj h ILE 33 Ca -0.00 -1.86 0.11 0.00 -0.12 0.00 0.00 64.86 62.99 2kfj h ILE 33 Cb 0.69 2.08 -0.01 0.00 -3.03 0.00 0.00 36.82 36.54 2kfj h ILE 33 CO 0.02 0.57 0.40 0.78 -0.68 0.00 0.00 178.15 179.24 2kfj h ASN 34 N 0.29 0.00 0.06 1.72 -0.26 -1.55 0.27 115.58 116.12 2kfj h ASN 34 Ca -0.04 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.61 2kfj h ASN 34 Cb 1.23 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 38.50 2kfj h ASN 34 CO 0.12 0.00 -0.42 -1.28 -1.06 0.00 0.00 177.43 174.79 2kfj h SER 35 N 0.00 0.26 -0.87 5.81 0.87 -1.22 -1.09 113.55 117.31 2kfj h SER 35 Ca 0.17 -0.94 0.02 0.00 -1.23 0.00 0.00 61.79 59.81 2kfj h SER 35 Cb 0.96 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.79 2kfj h SER 35 CO -0.00 1.18 0.57 0.11 -0.53 0.00 0.00 176.83 178.16 2kfj h LYS 36 N -0.62 1.10 0.00 2.24 6.56 -0.57 0.14 116.57 125.42 2kfj h LYS 36 Ca -0.07 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.45 2kfj h LYS 36 Cb 1.30 -0.25 0.00 0.00 -0.57 0.00 0.00 32.23 32.71 2kfj h LYS 36 CO 0.08 0.73 -0.03 -0.84 -2.06 0.00 0.00 179.45 177.33 2kfj h ILE 37 N 1.14 0.00 -1.72 1.86 3.07 -0.66 -3.29 117.51 117.91 2kfj h ILE 37 Ca 0.33 -0.57 0.50 0.00 1.55 0.00 0.00 64.86 66.67 2kfj h ILE 37 Cb -0.07 1.55 -0.07 0.00 -0.27 0.00 0.00 36.82 37.96 2kfj h ILE 37 CO -0.08 0.00 1.33 -1.28 -1.05 0.00 0.00 178.15 177.07 2kfj h SER 38 N 0.00 0.00 -0.96 2.16 0.87 0.65 0.25 113.55 116.53 2kfj h SER 38 Ca 0.00 0.00 0.16 0.00 -1.23 0.00 0.00 61.79 60.72 2kfj h SER 38 Cb 0.78 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 62.58 2kfj h SER 38 CO 0.00 0.00 -0.36 -1.13 -0.53 0.00 0.00 176.83 174.81 2kfj h ASN 39 N 0.00 -1.34 -3.67 6.23 -1.24 -1.71 -3.37 115.58 110.48 2kfj h ASN 39 Ca 0.82 0.30 -0.51 0.00 0.71 0.00 0.00 56.30 57.61 2kfj h ASN 39 Cb 3.48 0.72 0.03 0.00 0.73 0.00 0.00 38.32 43.28 2kfj h ASN 39 CO -0.01 -0.29 0.55 0.28 -1.29 0.00 0.00 177.43 176.67 2kfj s THR 40 N -6.00 3.34 -0.47 -3.57 -1.32 0.88 -4.92 115.64 103.59 2kfj s THR 40 Ca -0.14 1.24 0.15 0.00 -1.21 0.00 0.00 61.69 61.74 2kfj s THR 40 Cb 0.21 -3.79 0.76 0.00 -1.51 0.00 0.00 72.50 68.17 2kfj s THR 40 CO 0.72 0.25 1.68 0.00 -2.21 0.00 0.00 174.62 175.07 2kfj n HIS 41 N 1.68 1.79 -0.07 9.09 1.44 -1.26 -4.37 115.22 123.52 2kfj n HIS 41 Ca 0.02 -0.71 -0.13 0.00 -2.01 0.00 0.00 57.72 54.88 2kfj n HIS 41 Cb 0.44 -0.42 -0.10 0.00 0.12 0.00 0.00 29.99 30.03 2kfj n HIS 41 CO 0.00 0.00 0.00 -0.84 -2.81 0.00 0.00 176.34 172.69 2kfj h ILE 42 N 3.75 1.31 0.00 0.61 3.07 -1.92 -3.50 117.51 120.83 2kfj h ILE 42 Ca 0.00 -2.06 0.00 0.00 1.55 0.00 0.00 64.86 64.35 2kfj h ILE 42 Cb 1.78 2.55 0.00 0.00 -0.27 0.00 0.00 36.82 40.87 2kfj h ILE 42 CO 0.39 0.44 0.00 -0.24 -1.05 0.00 0.00 178.15 177.69 2kfj n SER 43 N -4.61 0.00 -3.03 2.16 2.88 -1.26 -5.17 113.62 104.59 2kfj n SER 43 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 2kfj n SER 43 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 2kfj n SER 43 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2kfj n PRO 44 N -1.01 0.67 -3.54 -1.46 -0.04 -1.26 -5.04 135.00 123.32 2kfj n PRO 44 Ca 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 2kfj n PRO 44 Cb 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.33 2kfj n PRO 44 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2kfj s ILE 45 N -0.22 -0.37 0.15 0.52 -5.25 -1.26 -5.01 121.20 109.75 2kfj s ILE 45 Ca 0.00 0.04 -0.01 0.00 -0.99 0.00 0.00 60.65 59.69 2kfj s ILE 45 Cb 0.00 -0.59 -0.16 0.00 2.95 0.00 0.00 42.46 44.66 2kfj s ILE 45 CO 0.00 -0.08 1.34 0.71 -1.79 0.00 0.00 174.94 175.13 2kfj h THR 46 N 6.30 1.45 -3.69 8.37 1.35 -1.98 -3.43 112.91 121.27 2kfj h THR 46 Ca -0.16 -2.53 -0.62 0.00 -0.55 0.00 0.00 66.41 62.54 2kfj h THR 46 Cb 1.14 2.44 -0.14 0.00 -1.73 0.00 0.00 68.15 69.85 2kfj h THR 46 CO 0.23 0.75 -0.25 -1.59 -0.25 0.00 0.00 175.52 174.40 2kfj s LYS 47 N -3.24 4.04 0.14 4.72 -2.85 -1.26 -4.82 119.74 116.47 2kfj s LYS 47 Ca -0.04 0.04 0.09 0.00 -1.00 0.00 0.00 55.97 55.06 2kfj s LYS 47 Cb 0.09 -3.64 -0.04 0.00 -2.06 0.00 0.00 37.83 32.19 2kfj s LYS 47 CO 0.85 -0.23 -0.17 0.96 0.10 0.00 0.00 175.35 176.85 2kfj s ILE 48 N 1.93 2.84 -0.28 3.79 -4.36 -1.14 -4.95 121.20 119.03 2kfj s ILE 48 Ca 0.15 -1.63 -0.02 0.00 -0.26 0.00 0.00 60.65 58.89 2kfj s ILE 48 Cb -0.16 -2.34 0.04 0.00 1.25 0.00 0.00 42.46 41.26 2kfj s ILE 48 CO 0.09 0.02 -0.02 -0.75 0.24 0.00 0.00 174.94 174.52 2kfj s LYS 49 N -2.39 2.58 0.13 0.37 2.20 -1.13 0.14 119.74 121.63 2kfj s LYS 49 Ca 0.20 -1.16 0.05 0.00 -0.36 0.00 0.00 55.97 54.70 2kfj s LYS 49 Cb -0.10 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.07 2kfj s LYS 49 CO 0.11 -0.54 0.06 1.52 -0.36 0.00 0.00 175.35 176.14 2kfj s TYR 50 N 1.28 3.05 0.39 4.03 1.13 0.30 -0.32 117.35 127.20 2kfj s TYR 50 Ca -0.03 -0.03 -0.24 0.00 -1.41 0.00 0.00 57.07 55.35 2kfj s TYR 50 Cb -0.19 -1.51 -0.09 0.00 -1.10 0.00 0.00 41.96 39.07 2kfj s TYR 50 CO -0.02 0.51 1.05 -1.14 -2.51 0.00 0.00 175.55 173.44 2kfj s GLN 51 N -2.71 4.21 0.53 -3.49 0.74 -1.11 -0.59 119.66 117.24 2kfj s GLN 51 Ca 0.28 1.53 0.05 0.00 0.05 0.00 0.00 55.36 57.28 2kfj s GLN 51 Cb -0.11 -2.60 0.05 0.00 1.10 0.00 0.00 33.01 31.46 2kfj s GLN 51 CO 0.21 -0.10 0.45 -0.40 -0.55 0.00 0.00 175.29 174.89 2kfj n ASP 52 N 0.05 2.59 -0.07 6.67 5.68 -0.29 -4.89 116.55 126.29 2kfj n ASP 52 Ca 0.04 -2.77 0.01 0.00 -0.50 0.00 0.00 54.79 51.58 2kfj n ASP 52 Cb 0.49 -0.09 0.32 0.00 -1.14 0.00 0.00 41.12 40.70 2kfj n ASP 52 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2kfj h GLU 53 N 0.00 0.68 0.00 0.11 -0.00 -1.92 0.11 114.58 113.56 2kfj h GLU 53 Ca -0.32 -0.08 0.00 0.00 -0.00 0.00 0.00 59.36 58.96 2kfj h GLU 53 Cb 1.22 -0.14 0.00 0.00 -0.00 0.00 0.00 28.75 29.83 2kfj h GLU 53 CO 0.50 0.53 0.00 0.22 -0.00 0.00 0.00 179.01 180.26 2kfj h ASP 54 N 0.69 0.00 0.00 3.06 1.82 -2.01 -3.45 116.42 116.53 2kfj h ASP 54 Ca 0.17 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 2kfj h ASP 54 Cb 0.06 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.07 2kfj h ASP 54 CO -0.02 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.22 2kfj n GLY 55 N -0.72 0.68 4.00 -0.78 0.00 0.37 -5.05 105.19 103.69 2kfj n GLY 55 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2kfj n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kfj s ASP 56 N -2.05 4.89 -0.25 1.61 1.11 -1.26 -4.78 116.67 115.94 2kfj s ASP 56 Ca 0.00 -0.45 -0.10 0.00 0.18 0.00 0.00 52.55 52.18 2kfj s ASP 56 Cb 0.00 -0.15 -0.05 0.00 1.07 0.00 0.00 42.92 43.80 2kfj s ASP 56 CO 0.00 -1.45 0.15 -0.36 1.18 0.00 0.00 175.17 174.69 2kfj s PHE 57 N -2.84 3.24 0.14 4.23 0.08 -1.26 -1.14 117.98 120.43 2kfj s PHE 57 Ca 0.62 0.08 0.08 0.00 0.12 0.00 0.00 56.93 57.84 2kfj s PHE 57 Cb -0.07 -2.30 -0.04 0.00 -0.57 0.00 0.00 43.02 40.04 2kfj s PHE 57 CO 0.40 -0.08 -0.19 0.14 -0.10 0.00 0.00 175.22 175.40 2kfj s VAL 58 N 1.38 1.74 0.66 -0.44 -7.23 0.24 -4.95 120.40 111.81 2kfj s VAL 58 Ca 0.07 -1.79 -0.12 0.00 -1.81 0.00 0.00 61.98 58.33 2kfj s VAL 58 Cb -0.15 -1.73 -0.01 0.00 0.56 0.00 0.00 36.38 35.05 2kfj s VAL 58 CO 0.07 -0.25 1.05 0.54 -0.31 0.00 0.00 175.10 176.20 2kfj s VAL 59 N -1.79 4.09 -0.21 1.32 0.11 -1.26 0.11 120.40 122.77 2kfj s VAL 59 Ca 0.12 0.76 -0.04 0.00 -2.93 0.00 0.00 61.98 59.88 2kfj s VAL 59 Cb -0.07 -3.47 0.10 0.00 -1.53 0.00 0.00 36.38 31.42 2kfj s VAL 59 CO 0.06 -0.82 0.35 -0.22 -3.33 0.00 0.00 175.10 171.14 2kfj s LEU 60 N -5.22 -0.52 0.00 2.54 2.96 0.37 -4.68 118.68 114.12 2kfj s LEU 60 Ca 0.59 0.46 0.03 0.00 -0.22 0.00 0.00 54.13 54.99 2kfj s LEU 60 Cb -0.14 1.03 0.04 0.00 0.50 0.00 0.00 46.19 47.62 2kfj s LEU 60 CO 0.50 -0.27 0.78 0.61 -1.32 0.00 0.00 176.35 176.65 2kfj n GLY 61 N 5.36 0.78 3.55 7.98 0.00 -1.26 -2.88 105.19 118.72 2kfj n GLY 61 Ca -0.06 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 2kfj n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kfj s SER 62 N -0.63 0.32 0.23 1.61 1.04 -1.26 -4.97 113.70 110.05 2kfj s SER 62 Ca 0.03 -1.19 0.09 0.00 0.48 0.00 0.00 55.95 55.37 2kfj s SER 62 Cb 0.04 0.63 0.21 0.00 0.10 0.00 0.00 66.02 66.99 2kfj s SER 62 CO -0.02 -1.23 1.53 -2.24 0.98 0.00 0.00 173.24 172.25 2kfj h ASP 63 N 2.20 0.00 0.75 7.02 2.03 -1.96 0.53 116.42 126.99 2kfj h ASP 63 Ca -0.28 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.02 2kfj h ASP 63 Cb 1.25 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2kfj h ASP 63 CO 0.38 0.72 0.00 -0.33 -1.03 0.00 0.00 179.24 178.98 2kfj h GLU 64 N 0.00 0.00 0.00 4.15 5.08 -1.97 0.70 114.58 122.53 2kfj h GLU 64 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2kfj h GLU 64 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2kfj h GLU 64 CO 0.09 0.00 -1.34 -0.25 -1.00 0.00 0.00 179.01 176.51 2kfj n ASP 65 N -2.54 1.72 0.05 1.42 10.43 -1.02 -3.06 116.55 123.56 2kfj n ASP 65 Ca 0.01 -0.19 0.04 0.00 2.57 0.00 0.00 54.79 57.22 2kfj n ASP 65 Cb 0.23 1.44 -0.06 0.00 1.84 0.00 0.00 41.12 44.58 2kfj n ASP 65 CO 0.00 0.00 0.00 1.87 -1.07 0.00 0.00 177.20 178.00 2kfj n TRP 66 N -1.79 0.93 -0.09 1.24 -0.00 0.15 -2.91 117.44 114.97 2kfj n TRP 66 Ca -0.01 0.30 -0.23 0.00 -0.00 0.00 0.00 57.50 57.55 2kfj n TRP 66 Cb 0.30 -1.03 -0.12 0.00 -0.00 0.00 0.00 31.31 30.46 2kfj n TRP 66 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 2kfj n ASN 67 N -2.79 1.97 0.27 5.87 5.15 0.24 -3.55 115.26 122.41 2kfj n ASN 67 Ca -0.07 0.27 0.11 0.00 -0.60 0.00 0.00 54.58 54.30 2kfj n ASN 67 Cb 0.74 -0.83 0.73 0.00 -0.53 0.00 0.00 39.78 39.88 2kfj n ASN 67 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2kfj h VAL 68 N -0.60 0.76 -0.24 3.44 2.07 -1.69 -0.82 116.25 119.17 2kfj h VAL 68 Ca -0.48 -0.26 -0.20 0.00 0.82 0.00 0.00 66.70 66.58 2kfj h VAL 68 Cb 1.64 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 2kfj h VAL 68 CO -0.17 0.07 -0.64 0.00 0.02 0.00 0.00 177.57 176.85 2kfj h ALA 69 N 1.93 0.41 -0.67 1.67 0.00 -1.68 -3.03 119.26 117.89 2kfj h ALA 69 Ca -0.00 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 2kfj h ALA 69 Cb 0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2kfj h ALA 69 CO 0.01 0.68 0.24 0.87 0.00 0.00 0.00 179.25 181.05 2kfj h LYS 70 N 0.62 1.00 -0.26 0.00 1.57 -1.23 -1.29 116.57 116.97 2kfj h LYS 70 Ca -0.01 -0.18 0.08 0.00 -1.87 0.00 0.00 60.65 58.67 2kfj h LYS 70 Cb 1.25 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 2kfj h LYS 70 CO 0.14 0.83 0.22 0.93 -0.57 0.00 0.00 179.45 181.00 2kfj h GLU 71 N 0.97 0.00 -0.33 3.15 4.39 -1.21 -0.37 114.58 121.19 2kfj h GLU 71 Ca 0.22 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.80 2kfj h GLU 71 Cb 0.23 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2kfj h GLU 71 CO -0.02 0.00 -0.26 1.98 -1.16 0.00 0.00 179.01 179.56 2kfj h MET 72 N 0.00 0.76 -0.08 2.33 4.05 -1.20 -2.47 114.93 118.32 2kfj h MET 72 Ca 0.12 -0.37 0.01 0.00 -0.28 0.00 0.00 59.70 59.18 2kfj h MET 72 Cb 0.57 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.36 2kfj h MET 72 CO -0.00 1.00 0.04 -0.07 0.23 0.00 0.00 176.91 178.10 2kfj h LEU 73 N 0.53 0.05 -1.46 3.39 -0.00 -1.03 1.15 115.31 117.95 2kfj h LEU 73 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 2kfj h LEU 73 Cb 0.82 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.48 2kfj h LEU 73 CO 0.07 0.04 0.00 0.00 -0.00 0.00 0.00 178.44 178.55 2kfj h ALA 74 N 1.05 1.00 0.00 1.53 0.00 -1.42 0.68 119.26 122.10 2kfj h ALA 74 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 2kfj h ALA 74 Cb 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2kfj h ALA 74 CO -0.03 0.00 -2.09 0.39 0.00 0.00 0.00 179.25 177.52 2kfj n GLU 75 N -2.36 0.67 -0.42 0.00 -0.58 0.30 -4.06 120.64 114.19 2kfj n GLU 75 Ca -0.01 -0.01 0.07 0.00 -0.42 0.00 0.00 57.16 56.79 2kfj n GLU 75 Cb 0.08 -1.58 0.26 0.00 -0.57 0.00 0.00 31.44 29.63 2kfj n GLU 75 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2kfj n ASN 76 N -2.65 3.47 -2.50 1.62 5.03 0.37 -4.88 115.26 115.73 2kfj n ASN 76 Ca -0.20 -2.25 -0.01 0.00 0.87 0.00 0.00 54.58 52.99 2kfj n ASN 76 Cb 0.94 -0.46 -0.00 0.00 -1.02 0.00 0.00 39.78 39.23 2kfj n ASN 76 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2kfj n ASN 77 N 0.85 -1.12 -4.58 6.41 3.02 -0.19 -4.85 115.26 114.81 2kfj n ASN 77 Ca 0.19 0.49 -0.26 0.00 -0.03 0.00 0.00 54.58 54.97 2kfj n ASN 77 Cb 0.64 -1.09 -0.10 0.00 -0.61 0.00 0.00 39.78 38.61 2kfj n ASN 77 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2kfj s GLU 78 N -5.00 1.91 -0.05 3.52 -1.05 -0.92 -5.04 118.70 112.08 2kfj s GLU 78 Ca 0.00 -1.89 0.07 0.00 -0.15 0.00 0.00 54.97 53.01 2kfj s GLU 78 Cb -0.00 -1.77 0.11 0.00 -0.44 0.00 0.00 34.13 32.03 2kfj s GLU 78 CO 0.00 0.12 1.00 1.63 0.95 0.00 0.00 175.26 178.96 2kfj n LYS 79 N -0.86 1.51 -4.41 -4.83 5.02 -1.26 -4.43 118.16 108.90 2kfj n LYS 79 Ca -0.05 -1.72 -0.28 0.00 -2.02 0.00 0.00 58.31 54.25 2kfj n LYS 79 Cb 0.63 -1.06 -0.12 0.00 -0.02 0.00 0.00 35.03 34.46 2kfj n LYS 79 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2kfj s PHE 80 N -1.46 2.29 0.24 2.13 -0.12 -1.26 -2.24 117.98 117.56 2kfj s PHE 80 Ca 0.12 -0.37 0.01 0.00 -0.05 0.00 0.00 56.93 56.64 2kfj s PHE 80 Cb 0.11 -1.18 -0.05 0.00 -0.63 0.00 0.00 43.02 41.27 2kfj s PHE 80 CO 0.01 0.43 0.09 -1.17 -0.05 0.00 0.00 175.22 174.53 2kfj s LEU 81 N -2.42 1.62 -0.01 -1.99 0.20 0.30 -4.85 118.68 111.52 2kfj s LEU 81 Ca 0.18 -1.36 -0.00 0.00 0.69 0.00 0.00 54.13 53.64 2kfj s LEU 81 Cb -0.09 0.07 0.01 0.00 -0.43 0.00 0.00 46.19 45.76 2kfj s LEU 81 CO 0.08 -0.73 0.02 0.54 -0.29 0.00 0.00 176.35 175.98 2kfj s ASN 82 N -3.27 0.00 0.02 3.68 4.22 -1.26 0.17 114.94 118.51 2kfj s ASN 82 Ca 0.36 0.04 0.05 0.00 -2.14 0.00 0.00 52.86 51.18 2kfj s ASN 82 Cb 0.07 0.01 -0.02 0.00 1.28 0.00 0.00 41.25 42.60 2kfj s ASN 82 CO 0.12 -0.04 -0.15 -0.63 -2.04 0.00 0.00 177.10 174.36 2kfj s ILE 83 N 0.31 1.18 0.05 0.54 -1.09 0.71 -2.76 121.20 120.14 2kfj s ILE 83 Ca -0.03 -0.88 0.09 0.00 -2.23 0.00 0.00 60.65 57.60 2kfj s ILE 83 Cb -0.04 -1.04 -0.03 0.00 -1.58 0.00 0.00 42.46 39.78 2kfj s ILE 83 CO -0.01 0.14 -0.23 -0.60 -1.23 0.00 0.00 174.94 173.01 2kfj s ARG 84 N -0.86 1.88 -0.05 2.79 3.52 0.56 -0.43 118.95 126.36 2kfj s ARG 84 Ca 0.04 -1.08 0.02 0.00 -0.13 0.00 0.00 55.73 54.58 2kfj s ARG 84 Cb -0.07 -2.06 0.01 0.00 -1.56 0.00 0.00 34.95 31.28 2kfj s ARG 84 CO 0.01 0.52 -0.10 -0.51 -0.81 0.00 0.00 175.30 174.40 2kfj s LEU 85 N -1.37 1.61 0.00 -0.88 1.43 0.47 -2.84 118.68 117.09 2kfj s LEU 85 Ca 0.13 -0.25 0.17 0.00 -1.03 0.00 0.00 54.13 53.16 2kfj s LEU 85 Cb -0.10 -0.70 0.14 0.00 0.03 0.00 0.00 46.19 45.55 2kfj s LEU 85 CO 0.04 0.02 1.05 0.00 0.23 0.00 0.00 176.35 177.69