#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfj s LEU 2 N 0.00 3.50 0.00 1.53 1.02 -1.26 -3.91 118.68 119.56 2kfj s LEU 2 Ca 0.00 1.04 0.00 0.00 0.02 0.00 0.00 54.13 55.19 2kfj s LEU 2 Cb 0.00 -4.01 0.00 0.00 0.02 0.00 0.00 46.19 42.20 2kfj s LEU 2 CO 0.00 -0.68 0.00 0.61 0.02 0.00 0.00 176.35 176.30 2kfj n GLY 3 N -2.40 2.92 3.10 -3.19 0.00 -1.26 -4.97 105.19 99.38 2kfj n GLY 3 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.46 0.88 0.03 1.61 1.04 -1.25 -2.32 113.70 112.23 2kfj s SER 4 Ca 0.00 -0.80 0.01 0.00 0.48 0.00 0.00 55.95 55.64 2kfj s SER 4 Cb 0.00 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.19 2kfj s SER 4 CO 0.00 -0.38 -0.05 -0.63 0.98 0.00 0.00 173.24 173.17 2kfj s ILE 5 N -2.67 0.29 -0.10 -1.02 1.01 -0.83 -4.83 121.20 113.05 2kfj s ILE 5 Ca 0.01 -0.99 -0.04 0.00 0.00 0.00 0.00 60.65 59.63 2kfj s ILE 5 Cb -0.01 -0.41 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 2kfj s ILE 5 CO -0.03 -0.46 0.08 -0.22 0.00 0.00 0.00 174.94 174.31 2kfj s LEU 6 N -1.52 4.01 -0.16 2.97 2.96 -1.25 0.15 118.68 125.84 2kfj s LEU 6 Ca -0.13 0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 2kfj s LEU 6 Cb -0.10 -1.98 0.01 0.00 0.50 0.00 0.00 46.19 44.61 2kfj s LEU 6 CO -0.00 0.38 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.86 2kfj s PHE 7 N -0.98 2.74 -0.83 5.38 0.40 0.16 0.11 117.98 124.95 2kfj s PHE 7 Ca 0.15 -1.28 -0.17 0.00 -0.60 0.00 0.00 56.93 55.03 2kfj s PHE 7 Cb -0.12 -1.87 0.16 0.00 0.51 0.00 0.00 43.02 41.70 2kfj s PHE 7 CO 0.04 -0.60 0.92 1.03 0.70 0.00 0.00 175.22 177.31 2kfj s ARG 8 N 0.93 3.51 -0.60 0.44 0.52 -0.97 0.93 118.95 123.71 2kfj s ARG 8 Ca -0.04 -1.96 -0.28 0.00 -0.52 0.00 0.00 55.73 52.93 2kfj s ARG 8 Cb -0.15 -4.61 0.02 0.00 0.52 0.00 0.00 34.95 30.72 2kfj s ARG 8 CO -0.03 -1.54 1.39 0.42 0.02 0.00 0.00 175.30 175.55 2kfj s ILE 9 N 1.69 3.78 -0.15 1.52 1.09 0.51 0.34 121.20 129.98 2kfj s ILE 9 Ca 0.23 0.63 -0.06 0.00 -1.10 0.00 0.00 60.65 60.35 2kfj s ILE 9 Cb -0.10 -4.52 -0.04 0.00 -1.06 0.00 0.00 42.46 36.74 2kfj s ILE 9 CO -0.07 -1.29 0.04 -0.55 -0.10 0.00 0.00 174.94 172.98 2kfj s SER 10 N 4.35 5.52 0.26 3.58 0.15 -0.84 -0.66 113.70 126.05 2kfj s SER 10 Ca 0.49 0.10 -0.00 0.00 0.70 0.00 0.00 55.95 57.24 2kfj s SER 10 Cb -0.10 -1.86 -0.03 0.00 -1.71 0.00 0.00 66.02 62.32 2kfj s SER 10 CO 0.23 0.23 0.25 -0.47 1.20 0.00 0.00 173.24 174.69 2kfj s TYR 11 N 0.00 1.22 0.57 3.44 5.04 -0.77 0.11 117.35 126.96 2kfj s TYR 11 Ca 0.05 -1.37 0.44 0.00 -2.44 0.00 0.00 57.07 53.75 2kfj s TYR 11 Cb -0.12 -0.46 1.53 0.00 0.35 0.00 0.00 41.96 43.26 2kfj s TYR 11 CO 0.01 -0.81 1.49 -1.71 -1.34 0.00 0.00 175.55 173.19 2kfj n ASN 12 N -0.77 0.00 0.00 4.32 5.15 -1.26 -2.66 115.26 120.04 2kfj n ASN 12 Ca 0.03 0.93 0.00 0.00 -0.60 0.00 0.00 54.58 54.94 2kfj n ASN 12 Cb 0.64 -0.44 0.00 0.00 -0.53 0.00 0.00 39.78 39.45 2kfj n ASN 12 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2kfj n SER 13 N -3.74 0.00 -1.36 1.20 7.64 -1.26 -5.08 113.62 111.01 2kfj n SER 13 Ca 0.39 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 60.24 2kfj n SER 13 Cb 1.90 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 65.08 2kfj n SER 13 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2kfj n GLU 14 N 0.00 0.08 -3.81 1.43 1.02 -1.09 -5.14 120.64 113.13 2kfj n GLU 14 Ca 0.00 -0.54 -0.36 0.00 -0.02 0.00 0.00 57.16 56.24 2kfj n GLU 14 Cb 0.00 0.46 -0.11 0.00 -0.02 0.00 0.00 31.44 31.76 2kfj n GLU 14 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2kfj s ILE 15 N -2.29 4.67 0.11 -3.67 1.01 -1.26 -1.85 121.20 117.92 2kfj s ILE 15 Ca 0.06 -0.06 0.10 0.00 0.00 0.00 0.00 60.65 60.76 2kfj s ILE 15 Cb 0.00 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 2kfj s ILE 15 CO 0.04 0.36 -0.26 -0.36 0.00 0.00 0.00 174.94 174.73 2kfj s PHE 16 N 1.24 2.22 0.19 3.97 0.08 0.16 -4.94 117.98 120.91 2kfj s PHE 16 Ca 0.05 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 56.69 2kfj s PHE 16 Cb -0.14 -1.23 -0.05 0.00 -0.57 0.00 0.00 43.02 41.03 2kfj s PHE 16 CO 0.04 0.28 0.39 0.95 -0.10 0.00 0.00 175.22 176.78 2kfj s THR 17 N -1.02 5.19 -0.26 0.64 -4.23 -1.26 0.19 115.64 114.89 2kfj s THR 17 Ca 0.12 -0.22 -0.01 0.00 -1.18 0.00 0.00 61.69 60.40 2kfj s THR 17 Cb -0.10 -3.70 0.15 0.00 1.34 0.00 0.00 72.50 70.19 2kfj s THR 17 CO 0.05 -0.11 0.40 -0.22 -0.54 0.00 0.00 174.62 174.20 2kfj s LEU 18 N -3.12 -0.72 -0.64 4.79 1.98 0.26 -4.87 118.68 116.35 2kfj s LEU 18 Ca 0.39 0.06 -0.26 0.00 -2.89 0.00 0.00 54.13 51.43 2kfj s LEU 18 Cb -0.11 1.17 -0.04 0.00 0.66 0.00 0.00 46.19 47.86 2kfj s LEU 18 CO 0.28 -0.32 2.00 -0.22 -1.89 0.00 0.00 176.35 176.20 2kfj s LEU 19 N 2.56 3.27 -0.40 -0.68 1.98 -1.26 0.36 118.68 124.51 2kfj s LEU 19 Ca 0.12 0.30 -0.13 0.00 -2.89 0.00 0.00 54.13 51.53 2kfj s LEU 19 Cb -0.14 -2.53 0.03 0.00 0.66 0.00 0.00 46.19 44.21 2kfj s LEU 19 CO -0.21 -2.60 0.26 0.54 -1.89 0.00 0.00 176.35 172.45 2kfj s VAL 20 N 10.06 4.85 1.11 1.68 0.11 0.40 -4.92 120.40 133.69 2kfj s VAL 20 Ca 0.74 -0.84 -0.16 0.00 -2.93 0.00 0.00 61.98 58.79 2kfj s VAL 20 Cb -0.12 -3.74 0.15 0.00 -1.53 0.00 0.00 36.38 31.13 2kfj s VAL 20 CO 0.18 -0.31 0.37 -0.62 -3.33 0.00 0.00 175.10 171.39 2kfj n GLU 21 N 5.07 -1.63 -0.23 1.54 -0.58 -1.26 -1.96 120.64 121.59 2kfj n GLU 21 Ca -0.11 -0.45 0.05 0.00 -0.42 0.00 0.00 57.16 56.22 2kfj n GLU 21 Cb 0.46 -1.87 0.15 0.00 -0.57 0.00 0.00 31.44 29.61 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 -2.89 2.00 -0.03 3.49 5.02 -0.98 -3.36 118.16 121.41 2kfj n LYS 22 Ca 0.02 -1.24 -0.01 0.00 -2.02 0.00 0.00 58.31 55.07 2kfj n LYS 22 Cb 0.58 -1.40 -0.08 0.00 -0.02 0.00 0.00 35.03 34.11 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 0.42 -1.60 -0.18 3.14 -1.26 -4.88 118.33 114.39 2kfj n VAL 23 Ca 0.11 -0.35 -0.18 0.00 -2.96 0.00 0.00 64.34 60.96 2kfj n VAL 23 Cb 0.38 -0.36 -0.06 0.00 -1.06 0.00 0.00 33.84 32.73 2kfj n VAL 23 CO 0.00 0.00 0.00 0.26 -6.46 0.00 0.00 176.83 170.63 2kfj s TRP 24 N -2.43 1.16 1.10 1.45 0.52 -1.21 -4.90 118.94 114.64 2kfj s TRP 24 Ca -0.04 1.85 -0.15 0.00 0.02 0.00 0.00 56.10 57.77 2kfj s TRP 24 Cb 0.04 -3.50 0.22 0.00 -1.15 0.00 0.00 33.47 29.08 2kfj s TRP 24 CO 0.42 -1.75 0.46 0.27 0.02 0.00 0.00 176.95 176.37 2kfj n ASN 25 N 17.94 -3.23 -0.22 2.95 6.94 -1.26 -3.96 115.26 134.41 2kfj n ASN 25 Ca 0.44 -0.48 0.18 0.00 -0.02 0.00 0.00 54.58 54.71 2kfj n ASN 25 Cb 0.45 -0.82 0.51 0.00 -2.36 0.00 0.00 39.78 37.57 2kfj n ASN 25 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 2kfj h PHE 26 N -2.90 0.52 0.31 -2.53 3.57 -1.90 0.42 116.94 114.43 2kfj h PHE 26 Ca -0.27 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.23 2kfj h PHE 26 Cb 0.87 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.45 2kfj h PHE 26 CO -3.18 0.15 -0.15 0.22 -2.23 0.00 0.00 178.31 173.12 2kfj h ASP 27 N 0.40 -0.35 -1.07 0.41 3.58 -1.98 -1.92 116.42 115.48 2kfj h ASP 27 Ca 0.45 0.01 0.30 0.00 0.42 0.00 0.00 57.03 58.21 2kfj h ASP 27 Cb 1.11 0.09 -0.06 0.00 1.72 0.00 0.00 39.33 42.19 2kfj h ASP 27 CO -0.16 -0.11 0.75 0.44 -2.88 0.00 0.00 179.24 177.28 2kfj h ASP 28 N -0.69 0.12 0.81 2.28 3.32 -1.71 0.17 116.42 120.72 2kfj h ASP 28 Ca -0.04 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 2kfj h ASP 28 Cb 0.32 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.88 2kfj h ASP 28 CO 0.07 0.02 -0.39 0.25 -1.72 0.00 0.00 179.24 177.47 2kfj h LEU 29 N 0.11 -0.93 -1.78 1.55 5.85 -0.11 1.04 115.31 121.04 2kfj h LEU 29 Ca 0.54 0.03 0.14 0.00 0.84 0.00 0.00 57.88 59.43 2kfj h LEU 29 Cb 1.92 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 43.15 2kfj h LEU 29 CO -0.08 -0.60 0.43 0.40 -0.34 0.00 0.00 178.44 178.25 2kfj h ILE 30 N -1.22 0.79 0.00 4.05 1.08 -0.14 0.56 117.51 122.63 2kfj h ILE 30 Ca -0.11 -0.08 -0.05 0.00 -0.39 0.00 0.00 64.86 64.23 2kfj h ILE 30 Cb 0.84 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 2kfj h ILE 30 CO 0.18 0.04 -0.23 0.24 -0.69 0.00 0.00 178.15 177.70 2kfj h MET 31 N 0.23 0.00 0.33 2.37 2.86 -0.40 -1.79 114.93 118.52 2kfj h MET 31 Ca 0.30 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.92 2kfj h MET 31 Cb 0.86 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.53 2kfj h MET 31 CO -0.06 0.23 -0.16 0.00 1.06 0.00 0.00 176.91 177.98 2kfj h ALA 32 N 1.77 -0.44 -0.38 6.32 0.00 0.66 -1.87 119.26 125.32 2kfj h ALA 32 Ca -0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2kfj h ALA 32 Cb 1.15 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2kfj h ALA 32 CO 0.03 -0.54 -0.06 0.82 0.00 0.00 0.00 179.25 179.50 2kfj h ILE 33 N -0.85 1.27 0.00 0.00 5.03 -1.48 -1.79 117.51 119.69 2kfj h ILE 33 Ca -0.04 -1.12 0.00 0.00 -0.12 0.00 0.00 64.86 63.58 2kfj h ILE 33 Cb 0.52 1.22 0.00 0.00 -3.03 0.00 0.00 36.82 35.53 2kfj h ILE 33 CO 0.07 0.37 0.14 0.78 -0.68 0.00 0.00 178.15 178.83 2kfj h ASN 34 N 0.53 0.00 0.18 1.72 -0.26 -1.36 0.21 115.58 116.60 2kfj h ASN 34 Ca 0.10 0.00 -0.24 0.00 -0.56 0.00 0.00 56.30 55.60 2kfj h ASN 34 Cb 0.57 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 37.85 2kfj h ASN 34 CO 0.03 0.00 -1.05 -1.28 -1.06 0.00 0.00 177.43 174.07 2kfj h SER 35 N 0.00 0.59 -0.21 5.81 0.87 -0.46 -1.65 113.55 118.51 2kfj h SER 35 Ca 0.00 -0.94 -0.08 0.00 -1.23 0.00 0.00 61.79 59.54 2kfj h SER 35 Cb 0.27 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2kfj h SER 35 CO 0.00 1.51 -0.18 0.11 -0.53 0.00 0.00 176.83 177.74 2kfj h LYS 36 N -0.20 0.49 0.00 2.24 6.56 -0.59 -2.37 116.57 122.70 2kfj h LYS 36 Ca -0.19 -0.25 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 2kfj h LYS 36 Cb 1.82 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.49 2kfj h LYS 36 CO 0.19 0.82 0.00 0.44 -2.06 0.00 0.00 179.45 178.84 2kfj n ILE 37 N -4.46 0.01 0.18 1.86 -5.35 0.47 -3.26 119.36 108.82 2kfj n ILE 37 Ca -0.05 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.54 2kfj n ILE 37 Cb 0.39 -0.55 0.57 0.00 -1.74 0.00 0.00 39.64 38.31 2kfj n ILE 37 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2kfj n SER 38 N -1.03 0.56 -0.69 7.28 2.88 -0.62 -2.44 113.62 119.56 2kfj n SER 38 Ca 0.21 0.75 0.53 0.00 -1.33 0.00 0.00 58.87 59.03 2kfj n SER 38 Cb 0.11 -0.83 0.82 0.00 -0.75 0.00 0.00 64.21 63.57 2kfj n SER 38 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 2kfj h ASN 39 N 0.00 0.00 0.00 -3.46 -1.24 -1.74 -0.03 115.58 109.11 2kfj h ASN 39 Ca 0.00 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.73 2kfj h ASN 39 Cb 0.03 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.04 2kfj h ASN 39 CO 0.00 -0.01 -1.99 1.07 -1.29 0.00 0.00 177.43 175.21 2kfj n THR 40 N -3.96 0.98 -3.13 -3.57 5.66 -1.02 -4.99 114.28 104.25 2kfj n THR 40 Ca 0.44 -0.30 -0.21 0.00 -3.05 0.00 0.00 64.05 60.93 2kfj n THR 40 Cb 1.99 -1.49 0.01 0.00 -1.55 0.00 0.00 70.33 69.28 2kfj n THR 40 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 2kfj n HIS 41 N -3.49 -1.77 -0.02 1.09 -0.00 -0.03 -4.78 115.22 106.22 2kfj n HIS 41 Ca -0.33 0.41 -0.03 0.00 -0.00 0.00 0.00 57.72 57.76 2kfj n HIS 41 Cb 0.78 -3.32 -0.02 0.00 -0.00 0.00 0.00 29.99 27.43 2kfj n HIS 41 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.34 176.78 2kfj n ILE 42 N -4.00 0.25 -3.18 3.57 -6.64 -1.26 -4.93 119.36 103.17 2kfj n ILE 42 Ca -0.06 -0.10 -0.16 0.00 -1.77 0.00 0.00 62.75 60.66 2kfj n ILE 42 Cb 0.57 -0.68 -0.05 0.00 -1.44 0.00 0.00 39.64 38.04 2kfj n ILE 42 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 2kfj s SER 43 N -4.33 0.32 0.22 7.28 0.01 -1.26 -5.14 113.70 110.80 2kfj s SER 43 Ca -0.05 -2.10 0.00 0.00 1.31 0.00 0.00 55.95 55.11 2kfj s SER 43 Cb 0.01 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.95 2kfj s SER 43 CO 0.10 -0.16 0.00 -0.81 0.41 0.00 0.00 173.24 172.78 2kfj n PRO 44 N 3.38 0.67 -4.18 12.44 -0.04 -1.26 -5.09 135.00 140.91 2kfj n PRO 44 Ca 0.20 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.48 2kfj n PRO 44 Cb 0.50 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.81 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 0.48 -0.03 0.52 -5.25 -1.26 -5.02 121.20 110.42 2kfj s ILE 45 Ca 0.00 -0.20 0.17 0.00 -0.99 0.00 0.00 60.65 59.62 2kfj s ILE 45 Cb 0.00 -0.44 -0.26 0.00 2.95 0.00 0.00 42.46 44.72 2kfj s ILE 45 CO 0.00 0.16 0.36 0.35 -1.79 0.00 0.00 174.94 174.02 2kfj n THR 46 N 3.30 0.03 -4.29 8.37 -2.24 -1.26 -4.83 114.28 113.37 2kfj n THR 46 Ca -0.17 -0.39 -0.34 0.00 -2.27 0.00 0.00 64.05 60.88 2kfj n THR 46 Cb 0.55 0.10 -0.14 0.00 -2.10 0.00 0.00 70.33 68.75 2kfj n THR 46 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2kfj s LYS 47 N -3.13 3.39 -0.08 -0.78 1.02 -1.26 -4.78 119.74 114.12 2kfj s LYS 47 Ca -0.06 -0.65 0.04 0.00 0.02 0.00 0.00 55.97 55.32 2kfj s LYS 47 Cb 0.10 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.58 2kfj s LYS 47 CO 0.69 0.00 -0.20 0.96 -0.92 0.00 0.00 175.35 175.88 2kfj s ILE 48 N 0.93 1.71 -0.51 2.17 -4.36 -1.04 -4.83 121.20 115.26 2kfj s ILE 48 Ca -0.01 -0.82 -0.17 0.00 -0.26 0.00 0.00 60.65 59.38 2kfj s ILE 48 Cb -0.15 -1.49 0.08 0.00 1.25 0.00 0.00 42.46 42.15 2kfj s ILE 48 CO 0.00 0.48 0.54 -0.75 0.24 0.00 0.00 174.94 175.45 2kfj s LYS 49 N 0.41 3.04 0.07 0.37 2.20 -0.99 0.15 119.74 124.99 2kfj s LYS 49 Ca -0.16 -1.24 -0.04 0.00 -0.36 0.00 0.00 55.97 54.17 2kfj s LYS 49 Cb -0.17 -4.17 -0.05 0.00 -1.51 0.00 0.00 37.83 31.94 2kfj s LYS 49 CO 0.07 -1.22 0.29 1.52 -0.36 0.00 0.00 175.35 175.65 2kfj s TYR 50 N 2.15 3.53 0.65 4.03 1.13 0.37 -0.76 117.35 128.44 2kfj s TYR 50 Ca 0.09 0.49 -0.12 0.00 -1.41 0.00 0.00 57.07 56.12 2kfj s TYR 50 Cb -0.23 -1.94 -0.02 0.00 -1.10 0.00 0.00 41.96 38.67 2kfj s TYR 50 CO 0.08 0.55 1.05 -1.14 -2.51 0.00 0.00 175.55 173.57 2kfj s GLN 51 N -2.24 3.22 0.20 -3.49 0.74 0.45 -0.26 119.66 118.28 2kfj s GLN 51 Ca 0.34 0.97 0.00 0.00 0.05 0.00 0.00 55.36 56.72 2kfj s GLN 51 Cb -0.13 -2.03 -0.00 0.00 1.10 0.00 0.00 33.01 31.95 2kfj s GLN 51 CO 0.22 -0.87 0.02 -3.47 -0.55 0.00 0.00 175.29 170.63 2kfj n ASP 52 N -2.71 2.20 -0.06 6.67 2.03 -0.86 -4.73 116.55 119.09 2kfj n ASP 52 Ca 0.07 -1.93 -0.10 0.00 0.52 0.00 0.00 54.79 53.34 2kfj n ASP 52 Cb 0.54 0.22 0.04 0.00 -0.72 0.00 0.00 41.12 41.19 2kfj n ASP 52 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2kfj h GLU 53 N 0.00 0.75 0.00 -0.67 -0.00 -1.92 -2.35 114.58 110.39 2kfj h GLU 53 Ca -0.17 -0.40 0.00 0.00 -0.00 0.00 0.00 59.36 58.79 2kfj h GLU 53 Cb 0.53 0.02 0.00 0.00 -0.00 0.00 0.00 28.75 29.30 2kfj h GLU 53 CO 0.27 1.02 0.06 0.22 -0.00 0.00 0.00 179.01 180.59 2kfj h ASP 54 N 0.61 0.00 0.00 3.06 3.58 -2.01 -3.44 116.42 118.22 2kfj h ASP 54 Ca 0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2kfj h ASP 54 Cb 0.97 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.02 2kfj h ASP 54 CO 0.09 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.06 2kfj n GLY 55 N -1.19 0.75 3.88 -0.78 0.00 -0.88 -5.05 105.19 101.92 2kfj n GLY 55 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2kfj n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kfj s ASP 56 N -2.49 6.16 0.36 1.61 2.15 -1.26 -4.81 116.67 118.39 2kfj s ASP 56 Ca 0.00 0.24 -0.25 0.00 0.43 0.00 0.00 52.55 52.97 2kfj s ASP 56 Cb 0.00 -1.87 -0.09 0.00 -0.30 0.00 0.00 42.92 40.66 2kfj s ASP 56 CO 0.00 0.22 1.03 0.72 -0.17 0.00 0.00 175.17 176.97 2kfj s PHE 57 N -1.39 3.41 0.00 -5.34 -0.12 -1.26 -2.03 117.98 111.26 2kfj s PHE 57 Ca 0.30 1.69 -0.02 0.00 -0.05 0.00 0.00 56.93 58.84 2kfj s PHE 57 Cb -0.13 -3.10 -0.01 0.00 -0.63 0.00 0.00 43.02 39.15 2kfj s PHE 57 CO 0.22 -0.42 0.03 0.14 -0.05 0.00 0.00 175.22 175.14 2kfj s VAL 58 N -1.58 0.07 0.60 -2.49 -7.23 0.63 -4.95 120.40 105.47 2kfj s VAL 58 Ca 0.54 -0.59 -0.16 0.00 -1.81 0.00 0.00 61.98 59.96 2kfj s VAL 58 Cb -0.23 -0.24 -0.03 0.00 0.56 0.00 0.00 36.38 36.44 2kfj s VAL 58 CO 0.29 -0.32 1.07 0.54 -0.31 0.00 0.00 175.10 176.37 2kfj s VAL 59 N -0.99 3.63 -0.10 1.32 0.11 -1.26 0.14 120.40 123.24 2kfj s VAL 59 Ca -0.11 0.79 -0.03 0.00 -2.93 0.00 0.00 61.98 59.70 2kfj s VAL 59 Cb -0.07 -3.31 0.05 0.00 -1.53 0.00 0.00 36.38 31.53 2kfj s VAL 59 CO -0.00 -0.44 0.16 -0.22 -3.33 0.00 0.00 175.10 171.27 2kfj s LEU 60 N -4.51 -0.05 0.00 2.54 2.96 0.40 -4.71 118.68 115.31 2kfj s LEU 60 Ca 0.65 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.80 2kfj s LEU 60 Cb -0.18 0.24 0.03 0.00 0.50 0.00 0.00 46.19 46.79 2kfj s LEU 60 CO 0.37 -0.26 0.90 0.61 -1.32 0.00 0.00 176.35 176.65 2kfj n GLY 61 N 5.32 0.65 3.49 7.98 0.00 -1.26 -2.50 105.19 118.86 2kfj n GLY 61 Ca -0.05 -0.06 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 2kfj n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfj s SER 62 N -0.86 -0.62 0.56 1.61 0.01 -1.26 -5.01 113.70 108.12 2kfj s SER 62 Ca 0.03 0.53 0.33 0.00 1.31 0.00 0.00 55.95 58.15 2kfj s SER 62 Cb 0.03 0.55 1.60 0.00 0.21 0.00 0.00 66.02 68.40 2kfj s SER 62 CO -0.01 -0.69 2.09 -0.78 0.41 0.00 0.00 173.24 174.26 2kfj h ASP 63 N 2.80 0.00 1.09 2.44 1.82 -1.96 0.50 116.42 123.11 2kfj h ASP 63 Ca -0.29 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.35 2kfj h ASP 63 Cb 1.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.19 2kfj h ASP 63 CO 0.39 0.06 0.00 1.21 -1.61 0.00 0.00 179.24 179.29 2kfj n GLU 64 N -3.30 0.23 -0.00 0.28 4.07 -1.26 0.10 120.64 120.76 2kfj n GLU 64 Ca -0.01 0.33 0.06 0.00 -0.06 0.00 0.00 57.16 57.47 2kfj n GLU 64 Cb 0.24 -1.85 -0.08 0.00 -0.06 0.00 0.00 31.44 29.69 2kfj n GLU 64 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2kfj n ASP 65 N -2.27 1.90 0.03 4.31 -0.08 -0.17 -3.23 116.55 117.05 2kfj n ASP 65 Ca 0.04 -0.21 0.04 0.00 -1.51 0.00 0.00 54.79 53.15 2kfj n ASP 65 Cb 0.33 1.37 -0.08 0.00 2.34 0.00 0.00 41.12 45.08 2kfj n ASP 65 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19 2kfj n TRP 66 N -1.71 0.74 -0.05 -0.67 -0.00 -0.01 -2.95 117.44 112.79 2kfj n TRP 66 Ca -0.01 0.24 -0.15 0.00 -0.00 0.00 0.00 57.50 57.58 2kfj n TRP 66 Cb 0.26 -0.96 -0.14 0.00 -0.00 0.00 0.00 31.31 30.47 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 -2.72 1.35 0.25 5.87 5.15 0.12 -3.01 115.26 122.26 2kfj n ASN 67 Ca -0.08 0.16 0.14 0.00 -0.60 0.00 0.00 54.58 54.20 2kfj n ASN 67 Cb 0.75 -0.21 0.51 0.00 -0.53 0.00 0.00 39.78 40.30 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 0.02 0.13 0.06 3.44 2.07 -1.70 -2.84 116.25 117.43 2kfj h VAL 68 Ca -0.44 -0.79 -0.15 0.00 0.82 0.00 0.00 66.70 66.15 2kfj h VAL 68 Cb 2.04 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 33.50 2kfj h VAL 68 CO 0.04 0.06 -0.74 0.00 0.02 0.00 0.00 177.57 176.95 2kfj h ALA 69 N 1.94 0.07 -0.26 1.67 0.00 -1.66 -3.33 119.26 117.69 2kfj h ALA 69 Ca -0.00 -0.81 0.06 0.00 0.00 0.00 0.00 54.91 54.15 2kfj h ALA 69 Cb 0.69 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.68 2kfj h ALA 69 CO 0.01 0.40 -0.40 0.87 0.00 0.00 0.00 179.25 180.13 2kfj h LYS 70 N -0.71 -0.38 -0.98 0.00 1.57 -1.47 0.70 116.57 115.30 2kfj h LYS 70 Ca -0.17 0.03 0.28 0.00 -1.87 0.00 0.00 60.65 58.92 2kfj h LYS 70 Cb 1.37 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.72 2kfj h LYS 70 CO 0.00 -0.25 0.94 0.93 -0.57 0.00 0.00 179.45 180.50 2kfj h GLU 71 N -0.39 0.00 -0.22 3.15 5.08 -1.66 1.35 114.58 121.89 2kfj h GLU 71 Ca 0.11 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.27 2kfj h GLU 71 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2kfj h GLU 71 CO -0.47 0.00 -0.64 1.98 -1.00 0.00 0.00 179.01 178.88 2kfj h MET 72 N 0.00 0.81 -0.71 2.33 4.05 0.31 -3.21 114.93 118.51 2kfj h MET 72 Ca 0.47 -0.57 0.14 0.00 -0.28 0.00 0.00 59.70 59.46 2kfj h MET 72 Cb 2.34 0.09 -0.13 0.00 -0.80 0.00 0.00 31.60 33.10 2kfj h MET 72 CO -0.00 1.19 -0.21 -0.07 0.23 0.00 0.00 176.91 178.05 2kfj h LEU 73 N 0.59 -0.76 -1.01 3.39 3.38 0.21 1.38 115.31 122.50 2kfj h LEU 73 Ca -0.01 0.22 0.12 0.00 0.09 0.00 0.00 57.88 58.29 2kfj h LEU 73 Cb 1.25 0.47 -0.08 0.00 0.09 0.00 0.00 40.66 42.39 2kfj h LEU 73 CO 0.14 -0.25 0.64 0.00 0.09 0.00 0.00 178.44 179.05 2kfj h ALA 74 N 1.61 1.51 0.00 1.53 0.00 -1.55 1.00 119.26 123.36 2kfj h ALA 74 Ca 0.33 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2kfj h ALA 74 Cb 0.53 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2kfj h ALA 74 CO -0.74 0.24 0.00 0.93 0.00 0.00 0.00 179.25 179.68 2kfj h GLU 75 N 1.01 0.00 0.00 0.00 5.08 0.99 -2.79 114.58 118.87 2kfj h GLU 75 Ca 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 2kfj h GLU 75 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2kfj h GLU 75 CO -0.26 0.00 -0.77 0.09 -1.00 0.00 0.00 179.01 177.07 2kfj n ASN 76 N -2.92 0.63 -2.66 1.42 3.02 0.39 -4.94 115.26 110.19 2kfj n ASN 76 Ca 0.03 -0.16 -0.21 0.00 -0.03 0.00 0.00 54.58 54.22 2kfj n ASN 76 Cb 0.45 0.48 0.01 0.00 -0.61 0.00 0.00 39.78 40.11 2kfj n ASN 76 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2kfj n ASN 77 N -1.87 -5.96 -4.64 6.41 5.03 0.30 -4.98 115.26 109.54 2kfj n ASN 77 Ca 0.03 -0.15 -0.24 0.00 0.87 0.00 0.00 54.58 55.09 2kfj n ASN 77 Cb 0.41 -4.87 -0.08 0.00 -1.02 0.00 0.00 39.78 34.22 2kfj n ASN 77 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 2kfj s GLU 78 N -5.36 2.18 -0.15 3.52 -1.05 -0.98 -5.04 118.70 111.82 2kfj s GLU 78 Ca 0.15 -1.59 0.15 0.00 -0.15 0.00 0.00 54.97 53.53 2kfj s GLU 78 Cb -0.07 -2.05 0.34 0.00 -0.44 0.00 0.00 34.13 31.91 2kfj s GLU 78 CO 0.19 0.23 1.17 1.63 0.95 0.00 0.00 175.26 179.43 2kfj n LYS 79 N -0.94 1.29 -3.26 -4.83 4.01 -1.26 -4.62 118.16 108.56 2kfj n LYS 79 Ca -0.05 -2.78 -0.09 0.00 -0.51 0.00 0.00 58.31 54.88 2kfj n LYS 79 Cb 0.61 -1.44 -0.00 0.00 -0.51 0.00 0.00 35.03 33.68 2kfj n LYS 79 CO 0.00 0.00 0.00 1.97 -1.11 0.00 0.00 177.40 178.26 2kfj n PHE 80 N -1.16 -1.56 -4.14 2.13 -1.74 -1.26 -3.86 117.46 105.87 2kfj n PHE 80 Ca 0.16 -1.62 -0.11 0.00 -0.56 0.00 0.00 57.45 55.33 2kfj n PHE 80 Cb 0.68 0.54 -0.09 0.00 1.52 0.00 0.00 39.48 42.13 2kfj n PHE 80 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2kfj s LEU 81 N 0.00 1.26 -0.22 5.98 0.20 0.29 -4.83 118.68 121.36 2kfj s LEU 81 Ca 0.18 -1.22 0.01 0.00 0.69 0.00 0.00 54.13 53.79 2kfj s LEU 81 Cb -0.02 0.58 0.05 0.00 -0.43 0.00 0.00 46.19 46.37 2kfj s LEU 81 CO 0.13 -0.84 -0.10 0.21 -0.29 0.00 0.00 176.35 175.46 2kfj s ASN 82 N -3.09 3.73 0.21 3.68 2.47 -1.26 -2.29 114.94 118.40 2kfj s ASN 82 Ca 0.30 -1.06 0.04 0.00 0.42 0.00 0.00 52.86 52.56 2kfj s ASN 82 Cb 0.06 -1.32 -0.03 0.00 -1.45 0.00 0.00 41.25 38.51 2kfj s ASN 82 CO 0.07 -0.17 0.34 -0.63 -3.72 0.00 0.00 177.10 173.00 2kfj s ILE 83 N 1.32 5.27 0.01 -5.21 -1.09 0.15 -0.41 121.20 121.24 2kfj s ILE 83 Ca -0.04 -0.87 -0.03 0.00 -2.23 0.00 0.00 60.65 57.49 2kfj s ILE 83 Cb -0.17 -3.82 -0.01 0.00 -1.58 0.00 0.00 42.46 36.87 2kfj s ILE 83 CO -0.07 -0.26 0.04 -0.60 -1.23 0.00 0.00 174.94 172.81 2kfj s ARG 84 N -3.75 0.32 -0.05 2.79 6.06 0.06 -1.99 118.95 122.39 2kfj s ARG 84 Ca 0.34 -0.41 -0.00 0.00 -2.50 0.00 0.00 55.73 53.16 2kfj s ARG 84 Cb -0.10 0.12 0.03 0.00 0.06 0.00 0.00 34.95 35.06 2kfj s ARG 84 CO 0.29 -0.06 0.00 -0.51 -2.50 0.00 0.00 175.30 172.52 2kfj s LEU 85 N -1.15 0.87 0.00 -0.88 1.43 0.31 -2.33 118.68 116.93 2kfj s LEU 85 Ca -0.13 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 2kfj s LEU 85 Cb -0.07 -0.31 0.00 0.00 0.03 0.00 0.00 46.19 45.83 2kfj s LEU 85 CO -0.00 -0.14 0.00 -1.22 0.23 0.00 0.00 176.35 175.22