#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 0.00 -2.98 1.53 4.77 -1.26 -4.88 117.00 114.17 2kfj n LEU 2 Ca 0.00 -1.46 -0.03 0.00 -0.03 0.00 0.00 56.01 54.48 2kfj n LEU 2 Cb 0.00 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2kfj n LEU 2 CO 0.00 -0.44 0.23 0.61 -1.33 0.00 0.00 177.39 176.45 2kfj n GLY 3 N 1.55 -1.27 3.30 -0.72 0.00 -1.26 -4.97 105.19 101.83 2kfj n GLY 3 Ca -0.00 0.79 -0.09 0.00 0.00 0.00 0.00 46.02 46.71 2kfj n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfj s SER 4 N -2.84 0.03 0.08 1.61 0.01 -1.26 -3.61 113.70 107.73 2kfj s SER 4 Ca 0.10 -0.75 0.09 0.00 1.31 0.00 0.00 55.95 56.71 2kfj s SER 4 Cb -0.03 0.41 -0.03 0.00 0.21 0.00 0.00 66.02 66.58 2kfj s SER 4 CO 0.76 -0.85 -0.25 -0.63 0.41 0.00 0.00 173.24 172.69 2kfj s ILE 5 N -3.92 2.04 0.05 1.44 1.01 0.60 -4.90 121.20 117.53 2kfj s ILE 5 Ca 0.12 -1.52 -0.18 0.00 0.00 0.00 0.00 60.65 59.07 2kfj s ILE 5 Cb 0.03 -1.79 -0.06 0.00 0.01 0.00 0.00 42.46 40.65 2kfj s ILE 5 CO -0.04 0.17 0.52 -0.22 0.00 0.00 0.00 174.94 175.37 2kfj s LEU 6 N -1.63 4.51 -0.21 2.97 2.96 -1.25 -1.07 118.68 124.97 2kfj s LEU 6 Ca 0.11 1.17 -0.01 0.00 -0.22 0.00 0.00 54.13 55.18 2kfj s LEU 6 Cb -0.10 -2.80 0.06 0.00 0.50 0.00 0.00 46.19 43.85 2kfj s LEU 6 CO 0.04 0.29 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.98 2kfj s PHE 7 N -1.10 1.79 -0.27 5.38 0.40 0.80 0.12 117.98 125.10 2kfj s PHE 7 Ca 0.27 -1.32 -0.22 0.00 -0.60 0.00 0.00 56.93 55.07 2kfj s PHE 7 Cb -0.19 -1.34 -0.01 0.00 0.51 0.00 0.00 43.02 42.00 2kfj s PHE 7 CO 0.17 -0.69 0.70 1.03 0.70 0.00 0.00 175.22 177.14 2kfj s ARG 8 N 1.60 4.07 -1.14 0.44 1.81 -1.21 -0.28 118.95 124.24 2kfj s ARG 8 Ca -0.03 0.60 -0.11 0.00 -1.72 0.00 0.00 55.73 54.47 2kfj s ARG 8 Cb -0.18 -3.67 0.23 0.00 -0.45 0.00 0.00 34.95 30.88 2kfj s ARG 8 CO -0.07 -0.51 1.22 0.42 -0.68 0.00 0.00 175.30 175.69 2kfj s ILE 9 N 2.68 5.61 -0.18 1.52 1.09 -0.92 0.16 121.20 131.15 2kfj s ILE 9 Ca 0.29 -3.07 -0.19 0.00 -1.10 0.00 0.00 60.65 56.57 2kfj s ILE 9 Cb -0.15 -4.72 -0.03 0.00 -1.06 0.00 0.00 42.46 36.50 2kfj s ILE 9 CO 0.09 -1.35 0.55 -0.44 -0.10 0.00 0.00 174.94 173.69 2kfj s SER 10 N 1.95 6.63 0.36 3.58 0.01 -1.02 -2.97 113.70 122.24 2kfj s SER 10 Ca 0.35 0.76 0.04 0.00 1.31 0.00 0.00 55.95 58.40 2kfj s SER 10 Cb -0.07 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 2kfj s SER 10 CO -0.05 -0.18 0.12 -0.47 0.41 0.00 0.00 173.24 173.08 2kfj s TYR 11 N 1.53 1.77 0.53 2.43 5.04 0.07 0.22 117.35 128.94 2kfj s TYR 11 Ca 0.26 -1.24 0.46 0.00 -2.44 0.00 0.00 57.07 54.11 2kfj s TYR 11 Cb -0.16 -1.10 1.57 0.00 0.35 0.00 0.00 41.96 42.62 2kfj s TYR 11 CO 0.10 -0.30 1.45 0.09 -1.34 0.00 0.00 175.55 175.56 2kfj n ASN 12 N -1.08 0.00 0.00 4.32 3.02 -1.26 -2.35 115.26 117.91 2kfj n ASN 12 Ca -0.03 0.92 0.00 0.00 -0.03 0.00 0.00 54.58 55.44 2kfj n ASN 12 Cb 0.65 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 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 -3.75 0.00 0.00 6.41 2.88 -1.26 -5.07 113.62 112.83 2kfj n SER 13 Ca 0.40 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 2kfj n SER 13 Cb 1.87 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 65.33 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 0.00 -4.94 -1.46 1.02 -0.99 -5.16 120.64 109.11 2kfj n GLU 14 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 2kfj n GLU 14 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.28 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 0.02 2.90 0.42 -3.67 1.09 -1.26 -0.75 121.20 119.95 2kfj s ILE 15 Ca 0.00 -0.77 0.03 0.00 -1.10 0.00 0.00 60.65 58.81 2kfj s ILE 15 Cb 0.00 -2.14 -0.02 0.00 -1.06 0.00 0.00 42.46 39.24 2kfj s ILE 15 CO 0.00 0.58 0.11 0.12 -0.10 0.00 0.00 174.94 175.65 2kfj s PHE 16 N -0.51 1.81 0.04 3.97 5.36 -1.16 -4.94 117.98 122.54 2kfj s PHE 16 Ca 0.07 -1.23 0.04 0.00 -0.96 0.00 0.00 56.93 54.85 2kfj s PHE 16 Cb -0.12 -1.22 -0.02 0.00 -0.34 0.00 0.00 43.02 41.32 2kfj s PHE 16 CO 0.01 -0.22 -0.12 0.95 -1.46 0.00 0.00 175.22 174.38 2kfj s THR 17 N -3.17 0.95 -0.16 0.12 -4.23 -1.26 -2.17 115.64 105.72 2kfj s THR 17 Ca 0.22 -0.96 -0.07 0.00 -1.18 0.00 0.00 61.69 59.70 2kfj s THR 17 Cb 0.03 -0.88 0.07 0.00 1.34 0.00 0.00 72.50 73.05 2kfj s THR 17 CO 0.13 -0.06 0.37 -0.22 -0.54 0.00 0.00 174.62 174.29 2kfj s LEU 18 N -1.15 -0.27 -0.36 4.79 0.20 0.62 -4.87 118.68 117.64 2kfj s LEU 18 Ca -0.01 0.83 -0.27 0.00 0.69 0.00 0.00 54.13 55.37 2kfj s LEU 18 Cb -0.08 1.15 0.02 0.00 -0.43 0.00 0.00 46.19 46.85 2kfj s LEU 18 CO 0.01 -0.21 0.97 -0.22 -0.29 0.00 0.00 176.35 176.61 2kfj s LEU 19 N 2.01 3.96 -0.15 -0.68 1.98 -1.26 -0.14 118.68 124.40 2kfj s LEU 19 Ca -0.05 0.69 0.01 0.00 -2.89 0.00 0.00 54.13 51.90 2kfj s LEU 19 Cb -0.11 -3.34 0.02 0.00 0.66 0.00 0.00 46.19 43.42 2kfj s LEU 19 CO -0.11 -0.87 -0.18 0.54 -1.89 0.00 0.00 176.35 173.83 2kfj s VAL 20 N 3.55 1.84 1.11 1.68 0.11 -0.24 -4.98 120.40 123.48 2kfj s VAL 20 Ca 0.40 -0.82 -0.13 0.00 -2.93 0.00 0.00 61.98 58.50 2kfj s VAL 20 Cb -0.12 -1.67 0.26 0.00 -1.53 0.00 0.00 36.38 33.32 2kfj s VAL 20 CO 0.18 0.51 1.05 -1.61 -3.33 0.00 0.00 175.10 171.90 2kfj s GLU 21 N 1.13 -0.52 -0.00 1.54 2.02 -1.26 -0.29 118.70 121.32 2kfj s GLU 21 Ca -0.01 0.78 0.09 0.00 0.02 0.00 0.00 54.97 55.85 2kfj s GLU 21 Cb -0.14 -1.60 0.26 0.00 0.10 0.00 0.00 34.13 32.75 2kfj s GLU 21 CO -0.07 -3.44 1.21 1.63 0.02 0.00 0.00 175.26 174.61 2kfj n LYS 22 N -4.71 1.70 -0.00 1.61 5.02 -1.24 -3.19 118.16 117.36 2kfj n LYS 22 Ca 0.04 -1.07 0.05 0.00 -2.02 0.00 0.00 58.31 55.30 2kfj n LYS 22 Cb 0.55 -1.24 -0.07 0.00 -0.02 0.00 0.00 35.03 34.25 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 0.37 0.00 -2.18 -0.18 3.14 -1.26 -4.84 118.33 113.37 2kfj n VAL 23 Ca 0.10 -0.23 -0.31 0.00 -2.96 0.00 0.00 64.34 60.94 2kfj n VAL 23 Cb 0.26 0.39 -0.05 0.00 -1.06 0.00 0.00 33.84 33.38 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 -2.55 2.05 1.13 1.45 0.52 -1.19 -4.94 118.94 115.41 2kfj s TRP 24 Ca -0.02 0.15 -0.17 0.00 0.02 0.00 0.00 56.10 56.08 2kfj s TRP 24 Cb 0.06 -4.20 0.20 0.00 -1.15 0.00 0.00 33.47 28.38 2kfj s TRP 24 CO 0.40 -1.64 0.36 0.27 0.02 0.00 0.00 176.95 176.35 2kfj n ASN 25 N 12.76 -2.98 -0.36 2.95 6.94 -1.26 -3.91 115.26 129.40 2kfj n ASN 25 Ca 0.41 -0.39 0.36 0.00 -0.02 0.00 0.00 54.58 54.93 2kfj n ASN 25 Cb 0.47 -0.88 0.73 0.00 -2.36 0.00 0.00 39.78 37.74 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 -2.69 0.07 0.05 -2.53 -5.15 -1.91 0.33 116.94 105.11 2kfj h PHE 26 Ca -0.38 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.39 2kfj h PHE 26 Cb 1.07 -0.02 0.00 0.00 0.22 0.00 0.00 35.95 37.21 2kfj h PHE 26 CO -2.10 -0.00 -0.03 0.22 -2.00 0.00 0.00 178.31 174.41 2kfj h ASP 27 N 0.04 -0.06 -0.88 -0.68 -0.00 -1.92 -0.82 116.42 112.10 2kfj h ASP 27 Ca 0.61 0.00 0.25 0.00 -0.00 0.00 0.00 57.03 57.89 2kfj h ASP 27 Cb 2.34 0.02 -0.04 0.00 -0.00 0.00 0.00 39.33 41.65 2kfj h ASP 27 CO -0.04 -0.03 0.63 0.44 -0.00 0.00 0.00 179.24 180.23 2kfj h ASP 28 N -0.09 0.02 0.72 2.28 3.45 -1.56 0.56 116.42 121.82 2kfj h ASP 28 Ca -0.01 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.42 2kfj h ASP 28 Cb 0.05 -0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.83 2kfj h ASP 28 CO 0.01 0.01 -0.35 0.25 -1.57 0.00 0.00 179.24 177.59 2kfj h LEU 29 N 0.02 -0.82 -2.02 1.55 5.85 -0.27 1.46 115.31 121.08 2kfj h LEU 29 Ca 0.42 0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.22 2kfj h LEU 29 Cb 1.65 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.89 2kfj h LEU 29 CO -0.02 -0.55 0.16 0.40 -0.34 0.00 0.00 178.44 178.09 2kfj h ILE 30 N -1.03 0.86 0.00 4.05 1.08 0.55 0.27 117.51 123.29 2kfj h ILE 30 Ca -0.10 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.32 2kfj h ILE 30 Cb 0.76 0.89 -0.01 0.00 -3.07 0.00 0.00 36.82 35.39 2kfj h ILE 30 CO 0.16 0.00 -0.47 0.24 -0.69 0.00 0.00 178.15 177.39 2kfj h MET 31 N 0.00 0.00 -0.00 2.37 2.86 -0.45 -2.36 114.93 117.35 2kfj h MET 31 Ca 0.10 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2kfj h MET 31 Cb 0.41 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 2kfj h MET 31 CO -0.00 0.17 -0.00 0.00 1.06 0.00 0.00 176.91 178.14 2kfj h ALA 32 N 1.80 0.00 -0.34 6.32 0.00 0.56 -0.85 119.26 126.75 2kfj h ALA 32 Ca -0.02 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 2kfj h ALA 32 Cb 1.17 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2kfj h ALA 32 CO 0.02 -0.27 -0.42 0.82 0.00 0.00 0.00 179.25 179.40 2kfj h ILE 33 N -0.45 1.28 0.00 0.00 5.03 -1.49 -2.13 117.51 119.75 2kfj h ILE 33 Ca 0.00 -1.59 0.00 0.00 -0.12 0.00 0.00 64.86 63.15 2kfj h ILE 33 Cb 0.45 1.48 0.00 0.00 -3.03 0.00 0.00 36.82 35.72 2kfj h ILE 33 CO 0.00 0.53 0.00 0.78 -0.68 0.00 0.00 178.15 178.78 2kfj h ASN 34 N 0.69 0.00 0.08 1.72 -0.26 -1.42 0.14 115.58 116.52 2kfj h ASN 34 Ca 0.05 0.00 -0.22 0.00 -0.56 0.00 0.00 56.30 55.56 2kfj h ASN 34 Cb 1.01 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.27 2kfj h ASN 34 CO 0.10 0.00 -1.14 -1.28 -1.06 0.00 0.00 177.43 174.05 2kfj h SER 35 N 0.00 0.26 0.10 5.81 0.87 -0.53 -2.87 113.55 117.18 2kfj h SER 35 Ca 0.00 -0.81 -0.00 0.00 -1.23 0.00 0.00 61.79 59.74 2kfj h SER 35 Cb 0.18 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2kfj h SER 35 CO 0.00 1.49 -0.05 0.11 -0.53 0.00 0.00 176.83 177.85 2kfj h LYS 36 N -0.54 -0.13 0.00 2.24 6.56 -0.79 -2.34 116.57 121.57 2kfj h LYS 36 Ca -0.26 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.34 2kfj h LYS 36 Cb 1.56 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 33.24 2kfj h LYS 36 CO 0.00 0.22 0.00 -0.84 -2.06 0.00 0.00 179.45 176.77 2kfj h ILE 37 N -0.49 0.00 -0.49 1.86 3.07 -0.93 -2.13 117.51 118.40 2kfj h ILE 37 Ca -0.01 -0.10 0.14 0.00 1.55 0.00 0.00 64.86 66.44 2kfj h ILE 37 Cb 0.41 0.76 -0.02 0.00 -0.27 0.00 0.00 36.82 37.70 2kfj h ILE 37 CO 0.02 0.00 0.57 -1.28 -1.05 0.00 0.00 178.15 176.41 2kfj h SER 38 N 0.00 0.00 -1.66 2.16 0.87 -1.18 -0.07 113.55 113.67 2kfj h SER 38 Ca 0.00 0.00 0.52 0.00 -1.23 0.00 0.00 61.79 61.08 2kfj h SER 38 Cb 0.13 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 61.98 2kfj h SER 38 CO 0.00 0.00 1.15 -1.13 -0.53 0.00 0.00 176.83 176.32 2kfj h ASN 39 N 0.00 0.10 0.08 6.23 -1.24 -1.54 0.84 115.58 120.06 2kfj h ASN 39 Ca 0.23 0.07 -0.34 0.00 0.71 0.00 0.00 56.30 56.98 2kfj h ASN 39 Cb 1.36 0.08 -0.03 0.00 0.73 0.00 0.00 38.32 40.46 2kfj h ASN 39 CO -0.00 -0.12 -1.86 0.35 -1.29 0.00 0.00 177.43 174.51 2kfj n THR 40 N -4.33 1.69 -3.98 -3.57 -2.24 -0.04 -4.99 114.28 96.83 2kfj n THR 40 Ca 0.42 -0.48 -0.27 0.00 -2.27 0.00 0.00 64.05 61.46 2kfj n THR 40 Cb 1.77 -1.80 -0.03 0.00 -2.10 0.00 0.00 70.33 68.17 2kfj n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kfj n HIS 41 N -3.75 -1.61 0.00 4.78 1.44 0.29 -4.83 115.22 111.55 2kfj n HIS 41 Ca -0.34 0.71 0.00 0.00 -2.01 0.00 0.00 57.72 56.08 2kfj n HIS 41 Cb 0.94 -3.62 0.00 0.00 0.12 0.00 0.00 29.99 27.44 2kfj n HIS 41 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 2kfj n ILE 42 N -4.42 0.00 -3.16 0.61 -5.35 -1.26 -5.03 119.36 100.75 2kfj n ILE 42 Ca -0.30 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.20 2kfj n ILE 42 Cb 0.68 -0.85 -0.01 0.00 -1.74 0.00 0.00 39.64 37.72 2kfj n ILE 42 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2kfj s SER 43 N -4.52 -1.43 0.22 7.28 0.15 -1.26 -5.16 113.70 108.98 2kfj s SER 43 Ca 0.00 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2kfj s SER 43 Cb 0.00 1.85 0.00 0.00 -1.71 0.00 0.00 66.02 66.16 2kfj s SER 43 CO 0.00 -0.20 0.00 -0.81 1.20 0.00 0.00 173.24 173.43 2kfj n PRO 44 N 4.74 0.67 -4.35 5.44 -0.04 -1.26 -5.10 135.00 135.09 2kfj n PRO 44 Ca 0.09 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.37 2kfj n PRO 44 Cb 0.56 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.92 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 1.18 0.00 0.52 -5.25 -1.26 -5.04 121.20 111.12 2kfj s ILE 45 Ca 0.00 -2.06 0.00 0.00 -0.99 0.00 0.00 60.65 57.60 2kfj s ILE 45 Cb 0.00 -2.34 0.00 0.00 2.95 0.00 0.00 42.46 43.07 2kfj s ILE 45 CO 0.00 -0.35 0.53 0.35 -1.79 0.00 0.00 174.94 173.68 2kfj n THR 46 N -0.44 0.27 -4.12 8.37 -2.24 -1.26 -4.88 114.28 109.98 2kfj n THR 46 Ca -0.05 -0.37 -0.15 0.00 -2.27 0.00 0.00 64.05 61.21 2kfj n THR 46 Cb 0.64 1.08 -0.14 0.00 -2.10 0.00 0.00 70.33 69.81 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 -0.27 0.40 -0.03 -0.78 1.02 -1.26 -4.90 119.74 113.91 2kfj s LYS 47 Ca 0.00 -0.23 -0.00 0.00 0.02 0.00 0.00 55.97 55.75 2kfj s LYS 47 Cb 0.00 -0.36 0.03 0.00 -0.52 0.00 0.00 37.83 36.98 2kfj s LYS 47 CO 0.00 0.09 0.02 0.96 -0.92 0.00 0.00 175.35 175.51 2kfj s ILE 48 N -0.25 0.06 -0.46 2.17 -4.36 -1.12 -4.74 121.20 112.50 2kfj s ILE 48 Ca 0.00 0.21 -0.16 0.00 -0.26 0.00 0.00 60.65 60.44 2kfj s ILE 48 Cb -0.03 -0.22 0.05 0.00 1.25 0.00 0.00 42.46 43.52 2kfj s ILE 48 CO -0.00 0.15 0.41 -0.75 0.24 0.00 0.00 174.94 174.99 2kfj s LYS 49 N 1.40 3.01 0.07 0.37 2.20 -0.46 0.10 119.74 126.43 2kfj s LYS 49 Ca -0.05 -1.16 -0.01 0.00 -0.36 0.00 0.00 55.97 54.39 2kfj s LYS 49 Cb -0.13 -4.08 -0.04 0.00 -1.51 0.00 0.00 37.83 32.07 2kfj s LYS 49 CO -0.03 -0.98 0.23 1.52 -0.36 0.00 0.00 175.35 175.73 2kfj s TYR 50 N 1.82 3.52 0.48 4.03 1.13 0.37 0.12 117.35 128.82 2kfj s TYR 50 Ca 0.06 0.29 -0.24 0.00 -1.41 0.00 0.00 57.07 55.78 2kfj s TYR 50 Cb -0.22 -1.79 -0.07 0.00 -1.10 0.00 0.00 41.96 38.78 2kfj s TYR 50 CO 0.09 0.58 1.35 -1.14 -2.51 0.00 0.00 175.55 173.91 2kfj s GLN 51 N -2.49 3.55 0.53 -3.49 0.74 -0.88 -0.33 119.66 117.30 2kfj s GLN 51 Ca 0.35 2.22 0.08 0.00 0.05 0.00 0.00 55.36 58.06 2kfj s GLN 51 Cb -0.13 -2.50 0.05 0.00 1.10 0.00 0.00 33.01 31.53 2kfj s GLN 51 CO 0.27 -0.86 0.56 0.34 -0.55 0.00 0.00 175.29 175.05 2kfj s ASP 52 N -0.82 4.91 0.51 6.67 -1.08 -0.69 -4.80 116.67 121.37 2kfj s ASP 52 Ca 0.64 -0.99 0.22 0.00 -0.52 0.00 0.00 52.55 51.90 2kfj s ASP 52 Cb -0.40 0.20 1.34 0.00 -1.46 0.00 0.00 42.92 42.61 2kfj s ASP 52 CO 0.49 -1.13 2.08 1.05 0.52 0.00 0.00 175.17 178.18 2kfj h GLU 53 N 0.55 0.00 -0.56 4.34 9.09 -1.94 0.12 114.58 126.18 2kfj h GLU 53 Ca -0.35 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.06 2kfj h GLU 53 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 2kfj h GLU 53 CO 0.50 0.11 0.00 -3.47 0.05 0.00 0.00 179.01 176.21 2kfj n ASP 54 N -3.99 2.51 -1.39 3.06 2.03 -1.26 -4.85 116.55 112.67 2kfj n ASP 54 Ca -0.02 -2.21 -0.18 0.00 0.52 0.00 0.00 54.79 52.90 2kfj n ASP 54 Cb 0.20 -0.40 -0.08 0.00 -0.72 0.00 0.00 41.12 40.12 2kfj n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kfj n GLY 55 N 0.70 1.73 3.67 0.27 0.00 0.42 -4.94 105.19 107.02 2kfj n GLY 55 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.67 5.88 -0.01 1.61 2.15 -1.26 -4.73 116.67 117.63 2kfj s ASP 56 Ca 0.00 0.13 -0.32 0.00 0.43 0.00 0.00 52.55 52.79 2kfj s ASP 56 Cb 0.00 -2.02 -0.10 0.00 -0.30 0.00 0.00 42.92 40.49 2kfj s ASP 56 CO 0.00 0.16 1.92 2.22 -0.17 0.00 0.00 175.17 179.30 2kfj n PHE 57 N 3.66 2.43 -4.68 -5.34 1.16 -1.26 -1.71 117.46 111.73 2kfj n PHE 57 Ca -0.16 -0.19 -0.28 0.00 -1.87 0.00 0.00 57.45 54.95 2kfj n PHE 57 Cb 0.52 -2.73 -0.14 0.00 -1.61 0.00 0.00 39.48 35.52 2kfj n PHE 57 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 2kfj s VAL 58 N 4.15 1.94 0.61 1.97 -7.23 0.55 -4.93 120.40 117.47 2kfj s VAL 58 Ca 0.90 -1.38 -0.16 0.00 -1.81 0.00 0.00 61.98 59.53 2kfj s VAL 58 Cb -0.56 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 34.67 2kfj s VAL 58 CO 0.46 0.23 1.08 -0.69 -0.31 0.00 0.00 175.10 175.87 2kfj s VAL 59 N -0.87 3.62 -0.18 1.32 1.01 -1.26 0.14 120.40 124.18 2kfj s VAL 59 Ca 0.10 0.77 -0.06 0.00 0.00 0.00 0.00 61.98 62.78 2kfj s VAL 59 Cb -0.10 -3.29 0.08 0.00 0.00 0.00 0.00 36.38 33.07 2kfj s VAL 59 CO 0.03 -0.45 0.37 -0.22 0.00 0.00 0.00 175.10 174.82 2kfj s LEU 60 N -4.60 -0.51 0.00 3.92 2.96 0.28 -4.71 118.68 116.02 2kfj s LEU 60 Ca 0.65 0.86 0.00 0.00 -0.22 0.00 0.00 54.13 55.42 2kfj s LEU 60 Cb -0.18 1.15 0.00 0.00 0.50 0.00 0.00 46.19 47.66 2kfj s LEU 60 CO 0.38 -0.23 0.84 0.61 -1.32 0.00 0.00 176.35 176.63 2kfj n GLY 61 N 5.32 0.67 3.57 7.98 0.00 -1.26 -2.80 105.19 118.66 2kfj n GLY 61 Ca -0.09 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.68 0.02 0.41 1.61 0.01 -1.26 -5.01 113.70 108.80 2kfj s SER 62 Ca 0.00 -1.01 0.21 0.00 1.31 0.00 0.00 55.95 56.46 2kfj s SER 62 Cb 0.00 0.60 0.83 0.00 0.21 0.00 0.00 66.02 67.66 2kfj s SER 62 CO -0.00 -1.16 1.80 -0.78 0.41 0.00 0.00 173.24 173.51 2kfj h ASP 63 N 2.25 0.00 -0.05 2.44 -0.00 -1.96 -0.84 116.42 118.26 2kfj h ASP 63 Ca -0.27 0.00 -0.16 0.00 -0.00 0.00 0.00 57.03 56.61 2kfj h ASP 63 Cb 1.25 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.57 2kfj h ASP 63 CO 0.37 0.31 -0.50 1.05 -0.00 0.00 0.00 179.24 180.46 2kfj h GLU 64 N 0.00 0.61 -0.00 0.28 4.11 -1.97 0.37 114.58 117.98 2kfj h GLU 64 Ca -0.00 -0.36 0.00 0.00 0.07 0.00 0.00 59.36 59.06 2kfj h GLU 64 Cb 0.78 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2kfj h GLU 64 CO 0.04 0.97 -0.32 -0.25 0.07 0.00 0.00 179.01 179.52 2kfj n ASP 65 N -3.99 0.37 0.00 3.06 10.43 -1.04 -0.01 116.55 125.37 2kfj n ASP 65 Ca -0.03 -0.07 0.06 0.00 2.57 0.00 0.00 54.79 57.32 2kfj n ASP 65 Cb 0.58 0.01 -0.13 0.00 1.84 0.00 0.00 41.12 43.43 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 -1.44 0.31 -0.12 1.24 -0.00 -0.35 -3.35 117.44 113.74 2kfj n TRP 66 Ca 0.07 0.10 -0.23 0.00 -0.00 0.00 0.00 57.50 57.44 2kfj n TRP 66 Cb 0.33 -0.75 -0.11 0.00 -0.00 0.00 0.00 31.31 30.78 2kfj n TRP 66 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 2kfj n ASN 67 N -2.51 1.98 0.00 5.87 3.02 0.13 -3.67 115.26 120.08 2kfj n ASN 67 Ca -0.09 0.10 0.09 0.00 -0.03 0.00 0.00 54.58 54.65 2kfj n ASN 67 Cb 0.71 -0.64 0.47 0.00 -0.61 0.00 0.00 39.78 39.71 2kfj n ASN 67 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2kfj n VAL 68 N -3.71 0.46 -0.02 2.41 0.31 0.98 -1.77 118.33 116.99 2kfj n VAL 68 Ca -0.47 0.11 0.01 0.00 -0.01 0.00 0.00 64.34 63.99 2kfj n VAL 68 Cb 0.94 -0.80 -0.13 0.00 -0.91 0.00 0.00 33.84 32.94 2kfj n VAL 68 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kfj n ALA 69 N -1.30 2.14 0.06 3.52 0.00 -1.21 -4.16 120.51 119.55 2kfj n ALA 69 Ca 0.09 -0.75 -0.14 0.00 0.00 0.00 0.00 53.44 52.64 2kfj n ALA 69 Cb 0.16 -0.67 -0.04 0.00 0.00 0.00 0.00 19.45 18.90 2kfj n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2kfj h LYS 70 N 0.00 0.46 -0.47 0.00 1.57 -1.42 -3.07 116.57 113.63 2kfj h LYS 70 Ca -0.21 -0.46 0.10 0.00 -1.87 0.00 0.00 60.65 58.21 2kfj h LYS 70 Cb 1.55 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.96 2kfj h LYS 70 CO 0.02 1.11 0.33 1.05 -0.57 0.00 0.00 179.45 181.39 2kfj h GLU 71 N 0.27 0.18 -0.21 3.15 4.11 -1.66 -1.26 114.58 119.15 2kfj h GLU 71 Ca -0.07 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.32 2kfj h GLU 71 Cb 1.53 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 2kfj h GLU 71 CO 0.16 0.12 0.05 1.98 0.07 0.00 0.00 179.01 181.39 2kfj h MET 72 N 0.19 0.35 -0.76 1.06 4.05 -1.71 -1.80 114.93 116.30 2kfj h MET 72 Ca 0.22 -0.09 0.17 0.00 -0.28 0.00 0.00 59.70 59.72 2kfj h MET 72 Cb 0.63 -0.04 -0.11 0.00 -0.80 0.00 0.00 31.60 31.28 2kfj h MET 72 CO -0.04 0.47 0.22 -0.07 0.23 0.00 0.00 176.91 177.73 2kfj h LEU 73 N 0.16 0.09 -1.09 3.39 3.38 -1.29 1.67 115.31 121.61 2kfj h LEU 73 Ca 0.07 0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 2kfj h LEU 73 Cb 0.29 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2kfj h LEU 73 CO 0.00 -0.02 -0.14 0.00 0.09 0.00 0.00 178.44 178.38 2kfj h ALA 74 N 1.62 1.24 0.00 1.53 0.00 -1.36 0.83 119.26 123.12 2kfj h ALA 74 Ca 0.44 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2kfj h ALA 74 Cb 0.75 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2kfj h ALA 74 CO -0.50 0.49 0.00 0.93 0.00 0.00 0.00 179.25 180.17 2kfj h GLU 75 N 0.44 0.00 -0.58 0.00 5.08 0.14 -2.89 114.58 116.77 2kfj h GLU 75 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2kfj h GLU 75 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2kfj h GLU 75 CO 0.03 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.13 2kfj n ASN 76 N -2.91 4.59 -2.44 1.42 5.03 0.50 -4.91 115.26 116.55 2kfj n ASN 76 Ca 0.04 -2.50 -0.01 0.00 0.87 0.00 0.00 54.58 52.98 2kfj n ASN 76 Cb 0.48 -0.55 -0.00 0.00 -1.02 0.00 0.00 39.78 38.68 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 0.87 -1.20 -4.55 6.41 3.02 -0.45 -4.85 115.26 114.51 2kfj n ASN 77 Ca 0.24 0.46 -0.24 0.00 -0.03 0.00 0.00 54.58 55.01 2kfj n ASN 77 Cb 0.87 -1.17 -0.09 0.00 -0.61 0.00 0.00 39.78 38.78 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 -4.89 1.90 -0.14 3.52 -1.05 0.16 -5.03 118.70 113.18 2kfj s GLU 78 Ca 0.00 -1.71 0.15 0.00 -0.15 0.00 0.00 54.97 53.25 2kfj s GLU 78 Cb 0.00 -1.87 0.33 0.00 -0.44 0.00 0.00 34.13 32.15 2kfj s GLU 78 CO 0.00 0.28 1.17 1.63 0.95 0.00 0.00 175.26 179.29 2kfj n LYS 79 N -0.76 1.15 -4.30 -4.83 5.02 -1.26 -4.17 118.16 109.00 2kfj n LYS 79 Ca -0.05 -2.67 -0.16 0.00 -2.02 0.00 0.00 58.31 53.41 2kfj n LYS 79 Cb 0.61 -1.29 -0.10 0.00 -0.02 0.00 0.00 35.03 34.23 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 -2.44 1.46 0.29 2.13 -0.12 -1.26 -3.78 117.98 114.27 2kfj s PHE 80 Ca 0.32 -1.03 0.02 0.00 -0.05 0.00 0.00 56.93 56.19 2kfj s PHE 80 Cb 0.30 -0.85 -0.04 0.00 -0.63 0.00 0.00 43.02 41.80 2kfj s PHE 80 CO -0.04 -0.18 0.12 -1.17 -0.05 0.00 0.00 175.22 173.90 2kfj s LEU 81 N -3.27 1.72 -0.19 -1.99 0.20 0.32 -4.82 118.68 110.65 2kfj s LEU 81 Ca 0.30 -1.47 -0.04 0.00 0.69 0.00 0.00 54.13 53.61 2kfj s LEU 81 Cb 0.07 0.04 0.08 0.00 -0.43 0.00 0.00 46.19 45.95 2kfj s LEU 81 CO 0.09 -0.79 0.20 0.21 -0.29 0.00 0.00 176.35 175.77 2kfj s ASN 82 N -3.37 1.38 0.32 3.68 2.47 -1.26 -3.33 114.94 114.82 2kfj s ASN 82 Ca 0.36 -0.18 -0.02 0.00 0.42 0.00 0.00 52.86 53.44 2kfj s ASN 82 Cb 0.06 0.32 -0.04 0.00 -1.45 0.00 0.00 41.25 40.14 2kfj s ASN 82 CO 0.15 -0.32 0.55 -0.63 -3.72 0.00 0.00 177.10 173.13 2kfj s ILE 83 N 2.31 5.08 -0.17 -5.21 -1.09 0.41 -2.07 121.20 120.46 2kfj s ILE 83 Ca 0.06 -0.23 -0.05 0.00 -2.23 0.00 0.00 60.65 58.20 2kfj s ILE 83 Cb -0.15 -3.80 0.06 0.00 -1.58 0.00 0.00 42.46 36.98 2kfj s ILE 83 CO -0.11 -0.45 0.09 -0.60 -1.23 0.00 0.00 174.94 172.64 2kfj s ARG 84 N -3.97 0.06 0.02 2.79 6.06 0.32 -2.44 118.95 121.79 2kfj s ARG 84 Ca 0.42 -0.08 -0.19 0.00 -2.50 0.00 0.00 55.73 53.38 2kfj s ARG 84 Cb -0.10 -1.82 -0.06 0.00 0.06 0.00 0.00 34.95 33.03 2kfj s ARG 84 CO 0.34 -0.67 0.56 -0.51 -2.50 0.00 0.00 175.30 172.52 2kfj s LEU 85 N 2.14 4.46 0.00 -0.88 1.02 0.13 -1.35 118.68 124.21 2kfj s LEU 85 Ca 0.02 1.17 0.00 0.00 0.02 0.00 0.00 54.13 55.34 2kfj s LEU 85 Cb -0.16 -2.86 0.00 0.00 0.02 0.00 0.00 46.19 43.19 2kfj s LEU 85 CO -0.09 0.19 0.00 -1.22 0.02 0.00 0.00 176.35 175.25