#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 0.46 -4.32 1.53 4.77 -1.26 -4.95 117.00 113.23 2kfj n LEU 2 Ca 0.00 0.08 -0.36 0.00 -0.03 0.00 0.00 56.01 55.70 2kfj n LEU 2 Cb 0.00 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 40.77 2kfj n LEU 2 CO 0.00 -0.26 -0.17 0.61 -1.33 0.00 0.00 177.39 176.24 2kfj n GLY 3 N 2.06 -0.35 1.39 -0.72 0.00 -1.26 -4.83 105.19 101.48 2kfj n GLY 3 Ca 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 46.02 46.14 2kfj n GLY 3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kfj n SER 4 N -2.67 -0.57 -4.09 1.61 7.64 -1.26 -4.56 113.62 109.72 2kfj n SER 4 Ca -0.02 -1.26 -0.14 0.00 1.01 0.00 0.00 58.87 58.46 2kfj n SER 4 Cb 0.53 0.91 -0.11 0.00 -1.01 0.00 0.00 64.21 64.53 2kfj n SER 4 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2kfj s ILE 5 N -2.31 0.66 0.05 0.44 1.01 -1.05 -4.91 121.20 115.09 2kfj s ILE 5 Ca 0.09 -1.19 -0.01 0.00 0.00 0.00 0.00 60.65 59.54 2kfj s ILE 5 Cb -0.01 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 2kfj s ILE 5 CO 0.01 -0.39 0.21 -0.22 0.00 0.00 0.00 174.94 174.55 2kfj s LEU 6 N -1.73 4.36 -0.11 2.97 1.98 -0.82 -0.43 118.68 124.90 2kfj s LEU 6 Ca -0.07 0.31 0.02 0.00 -2.89 0.00 0.00 54.13 51.50 2kfj s LEU 6 Cb -0.09 -2.88 0.01 0.00 0.66 0.00 0.00 46.19 43.89 2kfj s LEU 6 CO 0.00 0.19 -0.17 -0.36 -1.89 0.00 0.00 176.35 174.12 2kfj s PHE 7 N -1.47 2.11 -1.01 5.38 0.40 -1.01 0.15 117.98 122.53 2kfj s PHE 7 Ca 0.33 -0.96 -0.14 0.00 -0.60 0.00 0.00 56.93 55.56 2kfj s PHE 7 Cb -0.13 -1.48 0.21 0.00 0.51 0.00 0.00 43.02 42.12 2kfj s PHE 7 CO 0.25 -0.47 1.08 1.03 0.70 0.00 0.00 175.22 177.82 2kfj s ARG 8 N 0.83 3.88 -0.30 0.44 3.00 -0.30 -2.30 118.95 124.20 2kfj s ARG 8 Ca -0.09 -2.56 -0.29 0.00 0.00 0.00 0.00 55.73 52.79 2kfj s ARG 8 Cb -0.16 -4.70 0.01 0.00 0.00 0.00 0.00 34.95 30.10 2kfj s ARG 8 CO 0.01 -1.48 1.22 0.42 0.00 0.00 0.00 175.30 175.47 2kfj s ILE 9 N 0.58 4.26 -0.10 1.52 1.09 0.14 -0.61 121.20 128.09 2kfj s ILE 9 Ca 0.30 1.44 -0.15 0.00 -1.10 0.00 0.00 60.65 61.15 2kfj s ILE 9 Cb -0.07 -4.24 -0.05 0.00 -1.06 0.00 0.00 42.46 37.04 2kfj s ILE 9 CO -0.07 -0.47 0.35 -0.94 -0.10 0.00 0.00 174.94 173.72 2kfj s SER 10 N 2.37 6.60 -0.28 3.58 1.04 0.13 0.76 113.70 127.90 2kfj s SER 10 Ca 0.53 0.70 -0.16 0.00 0.48 0.00 0.00 55.95 57.50 2kfj s SER 10 Cb -0.15 -2.22 0.09 0.00 0.10 0.00 0.00 66.02 63.84 2kfj s SER 10 CO 0.20 0.17 0.72 -0.47 0.98 0.00 0.00 173.24 174.84 2kfj s TYR 11 N -0.06 -1.03 -0.23 5.02 6.14 0.16 0.15 117.35 127.50 2kfj s TYR 11 Ca 0.21 2.05 0.00 0.00 0.64 0.00 0.00 57.07 59.97 2kfj s TYR 11 Cb -0.14 0.61 0.00 0.00 0.42 0.00 0.00 41.96 42.85 2kfj s TYR 11 CO 0.08 -0.51 0.00 -1.71 0.64 0.00 0.00 175.55 174.05 2kfj n ASN 12 N 4.27 -5.16 0.00 4.32 5.15 -1.26 -0.33 115.26 122.24 2kfj n ASN 12 Ca -0.20 0.05 0.00 0.00 -0.60 0.00 0.00 54.58 53.83 2kfj n ASN 12 Cb 0.59 -2.85 0.00 0.00 -0.53 0.00 0.00 39.78 36.99 2kfj n ASN 12 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2kfj n SER 13 N -0.70 -1.51 -4.34 1.20 2.88 -1.26 -5.06 113.62 104.82 2kfj n SER 13 Ca -0.02 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.20 2kfj n SER 13 Cb 0.39 -0.25 -0.15 0.00 -0.75 0.00 0.00 64.21 63.44 2kfj n SER 13 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2kfj s GLU 14 N -0.75 2.92 -0.02 -1.46 2.02 0.55 -5.11 118.70 116.84 2kfj s GLU 14 Ca 0.00 -0.78 -0.22 0.00 0.02 0.00 0.00 54.97 53.99 2kfj s GLU 14 Cb 0.00 -2.39 -0.05 0.00 0.10 0.00 0.00 34.13 31.79 2kfj s GLU 14 CO 0.00 0.34 0.65 0.42 0.02 0.00 0.00 175.26 176.69 2kfj s ILE 15 N -0.02 4.94 -0.00 -1.63 -1.09 -1.26 -0.67 121.20 121.47 2kfj s ILE 15 Ca -0.06 1.36 0.07 0.00 -2.23 0.00 0.00 60.65 59.80 2kfj s ILE 15 Cb -0.15 -3.99 -0.02 0.00 -1.58 0.00 0.00 42.46 36.72 2kfj s ILE 15 CO 0.05 0.35 -0.22 -0.36 -1.23 0.00 0.00 174.94 173.52 2kfj s PHE 16 N 0.22 1.96 -0.05 3.97 0.08 0.23 -4.93 117.98 119.47 2kfj s PHE 16 Ca 0.34 -0.37 -0.08 0.00 0.12 0.00 0.00 56.93 56.94 2kfj s PHE 16 Cb -0.18 -1.24 -0.05 0.00 -0.57 0.00 0.00 43.02 40.98 2kfj s PHE 16 CO 0.18 0.00 0.23 0.95 -0.10 0.00 0.00 175.22 176.48 2kfj s THR 17 N -0.59 5.36 -0.25 0.64 -4.23 -1.26 0.25 115.64 115.56 2kfj s THR 17 Ca 0.09 0.25 -0.03 0.00 -1.18 0.00 0.00 61.69 60.81 2kfj s THR 17 Cb -0.09 -3.52 0.14 0.00 1.34 0.00 0.00 72.50 70.38 2kfj s THR 17 CO -0.00 0.50 0.45 -0.22 -0.54 0.00 0.00 174.62 174.80 2kfj s LEU 18 N -1.38 -0.84 -0.03 4.79 1.98 -0.97 -4.97 118.68 117.26 2kfj s LEU 18 Ca 0.22 0.55 -0.30 0.00 -2.89 0.00 0.00 54.13 51.71 2kfj s LEU 18 Cb -0.13 1.45 -0.07 0.00 0.66 0.00 0.00 46.19 48.10 2kfj s LEU 18 CO 0.11 -0.28 1.95 -0.22 -1.89 0.00 0.00 176.35 176.02 2kfj s LEU 19 N 2.65 4.23 -0.39 -0.68 1.98 -1.26 -2.40 118.68 122.81 2kfj s LEU 19 Ca 0.12 2.43 -0.02 0.00 -2.89 0.00 0.00 54.13 53.77 2kfj s LEU 19 Cb -0.15 -3.53 0.10 0.00 0.66 0.00 0.00 46.19 43.28 2kfj s LEU 19 CO -0.17 -1.19 0.17 -0.69 -1.89 0.00 0.00 176.35 172.58 2kfj s VAL 20 N 5.06 3.11 1.01 1.68 1.01 0.42 -4.99 120.40 127.70 2kfj s VAL 20 Ca 0.87 -2.06 -0.13 0.00 0.00 0.00 0.00 61.98 60.66 2kfj s VAL 20 Cb -0.39 -3.13 0.10 0.00 0.00 0.00 0.00 36.38 32.96 2kfj s VAL 20 CO 0.38 -0.64 0.54 -0.62 0.00 0.00 0.00 175.10 174.76 2kfj n GLU 21 N 4.54 -0.85 -0.35 2.72 1.02 -1.26 -2.52 120.64 123.93 2kfj n GLU 21 Ca -0.02 -0.21 0.05 0.00 -0.02 0.00 0.00 57.16 56.96 2kfj n GLU 21 Cb 0.42 -1.97 0.19 0.00 -0.02 0.00 0.00 31.44 30.06 2kfj n GLU 21 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2kfj n LYS 22 N -2.68 2.53 -0.02 3.49 5.02 -1.26 -3.70 118.16 121.54 2kfj n LYS 22 Ca 0.06 -1.52 -0.03 0.00 -2.02 0.00 0.00 58.31 54.80 2kfj n LYS 22 Cb 0.55 -1.64 -0.02 0.00 -0.02 0.00 0.00 35.03 33.90 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 0.45 0.26 -1.20 -0.18 3.14 -1.26 -5.04 118.33 114.51 2kfj n VAL 23 Ca 0.14 -0.11 -0.37 0.00 -2.96 0.00 0.00 64.34 61.04 2kfj n VAL 23 Cb 0.56 -0.70 0.05 0.00 -1.06 0.00 0.00 33.84 32.69 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 -2.57 -2.27 -3.94 1.45 8.01 -1.24 -4.99 117.44 111.89 2kfj n TRP 24 Ca -0.08 0.31 -0.15 0.00 -1.31 0.00 0.00 57.50 56.27 2kfj n TRP 24 Cb 0.59 -1.75 -0.01 0.00 -2.01 0.00 0.00 31.31 28.13 2kfj n TRP 24 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.69 176.95 2kfj n ASN 25 N 1.24 2.18 0.09 -0.99 6.94 -1.26 -4.89 115.26 118.56 2kfj n ASN 25 Ca 0.07 -2.03 0.17 0.00 -0.02 0.00 0.00 54.58 52.78 2kfj n ASN 25 Cb 0.50 0.05 0.71 0.00 -2.36 0.00 0.00 39.78 38.68 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 0.77 0.00 0.00 -2.53 -5.15 -1.90 0.23 116.94 108.36 2kfj h PHE 26 Ca -0.19 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.58 2kfj h PHE 26 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.82 2kfj h PHE 26 CO 0.00 0.00 0.00 -3.47 -2.00 0.00 0.00 178.31 172.84 2kfj n ASP 27 N -4.28 0.00 -0.41 -0.68 2.03 -1.26 -2.66 116.55 109.30 2kfj n ASP 27 Ca 0.06 0.44 0.34 0.00 0.52 0.00 0.00 54.79 56.15 2kfj n ASP 27 Cb 0.46 -0.31 0.62 0.00 -0.72 0.00 0.00 41.12 41.17 2kfj n ASP 27 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2kfj h ASP 28 N 0.00 0.29 0.23 1.67 5.19 -1.92 0.76 116.42 122.65 2kfj h ASP 28 Ca 0.00 0.17 0.01 0.00 -0.62 0.00 0.00 57.03 56.59 2kfj h ASP 28 Cb 0.00 0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.63 2kfj h ASP 28 CO 0.00 -0.23 -0.37 0.25 -3.12 0.00 0.00 179.24 175.78 2kfj h LEU 29 N 0.10 -1.04 -0.19 1.55 5.85 -0.63 1.45 115.31 122.41 2kfj h LEU 29 Ca 0.82 0.10 0.03 0.00 0.84 0.00 0.00 57.88 59.67 2kfj h LEU 29 Cb 2.40 0.37 -0.03 0.00 0.37 0.00 0.00 40.66 43.77 2kfj h LEU 29 CO -0.51 -0.48 -0.00 0.40 -0.34 0.00 0.00 178.44 177.51 2kfj h ILE 30 N -0.67 0.86 0.00 4.05 1.08 0.70 0.60 117.51 124.13 2kfj h ILE 30 Ca 0.00 -0.02 -0.01 0.00 -0.39 0.00 0.00 64.86 64.44 2kfj h ILE 30 Cb 0.65 0.80 -0.00 0.00 -3.07 0.00 0.00 36.82 35.20 2kfj h ILE 30 CO -0.15 0.01 -0.04 0.24 -0.69 0.00 0.00 178.15 177.53 2kfj h MET 31 N 0.06 0.00 0.08 2.37 2.86 -0.59 0.33 114.93 120.03 2kfj h MET 31 Ca 0.09 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2kfj h MET 31 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 2kfj h MET 31 CO -0.15 0.04 -0.04 0.00 1.06 0.00 0.00 176.91 177.82 2kfj h ALA 32 N 1.96 -0.10 -0.17 6.32 0.00 0.42 -3.09 119.26 124.59 2kfj h ALA 32 Ca -0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 2kfj h ALA 32 Cb 0.17 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2kfj h ALA 32 CO 0.00 -0.22 -0.31 0.82 0.00 0.00 0.00 179.25 179.54 2kfj h ILE 33 N -0.77 1.27 0.00 0.00 5.03 -0.69 -1.54 117.51 120.81 2kfj h ILE 33 Ca -0.01 -1.32 0.00 0.00 -0.12 0.00 0.00 64.86 63.41 2kfj h ILE 33 Cb 0.60 1.48 0.00 0.00 -3.03 0.00 0.00 36.82 35.87 2kfj h ILE 33 CO 0.02 0.41 0.01 0.78 -0.68 0.00 0.00 178.15 178.69 2kfj h ASN 34 N 0.30 0.00 0.69 1.72 -0.26 -0.39 0.33 115.58 117.97 2kfj h ASN 34 Ca 0.04 0.00 -0.26 0.00 -0.56 0.00 0.00 56.30 55.52 2kfj h ASN 34 Cb 0.70 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.93 2kfj h ASN 34 CO 0.05 0.00 -1.34 -1.28 -1.06 0.00 0.00 177.43 173.80 2kfj h SER 35 N 0.00 0.15 0.36 5.81 0.87 -1.19 -2.40 113.55 117.15 2kfj h SER 35 Ca 0.00 -0.20 -0.32 0.00 -1.23 0.00 0.00 61.79 60.04 2kfj h SER 35 Cb 0.03 -0.05 0.02 0.00 -0.44 0.00 0.00 62.40 61.95 2kfj h SER 35 CO 0.00 1.16 -1.51 0.11 -0.53 0.00 0.00 176.83 176.06 2kfj h LYS 36 N 0.03 0.40 -0.32 2.24 6.56 -0.54 -3.19 116.57 121.75 2kfj h LYS 36 Ca -0.15 -0.68 0.00 0.00 -1.06 0.00 0.00 60.65 58.75 2kfj h LYS 36 Cb 1.92 0.25 0.00 0.00 -0.57 0.00 0.00 32.23 33.83 2kfj h LYS 36 CO 0.13 1.31 0.00 0.44 -2.06 0.00 0.00 179.45 179.27 2kfj n ILE 37 N -3.60 0.41 -1.01 1.86 -5.35 0.73 -4.44 119.36 107.96 2kfj n ILE 37 Ca -0.17 -0.38 -0.18 0.00 -0.27 0.00 0.00 62.75 61.75 2kfj n ILE 37 Cb 1.07 0.14 -0.12 0.00 -1.74 0.00 0.00 39.64 38.99 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 0.29 5.80 0.00 7.28 2.88 -0.90 -3.49 113.62 125.48 2kfj n SER 38 Ca 0.09 -2.44 0.00 0.00 -1.33 0.00 0.00 58.87 55.19 2kfj n SER 38 Cb 0.26 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.35 2kfj n SER 38 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2kfj n ASN 39 N 2.87 2.97 -4.80 -3.46 6.94 -1.26 -5.04 115.26 113.48 2kfj n ASN 39 Ca 0.49 0.00 -0.31 0.00 -0.02 0.00 0.00 54.58 54.75 2kfj n ASN 39 Cb 0.67 0.00 0.07 0.00 -2.36 0.00 0.00 39.78 38.15 2kfj n ASN 39 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2kfj s THR 40 N -1.98 3.75 -0.20 5.53 -4.23 -1.23 -4.99 115.64 112.28 2kfj s THR 40 Ca 0.00 0.57 0.15 0.00 -1.18 0.00 0.00 61.69 61.23 2kfj s THR 40 Cb 0.00 -3.22 0.45 0.00 1.34 0.00 0.00 72.50 71.08 2kfj s THR 40 CO 0.00 -0.74 1.18 1.41 -0.54 0.00 0.00 174.62 175.93 2kfj n HIS 41 N -3.28 1.11 -0.04 3.99 8.25 -1.26 -4.70 115.22 119.29 2kfj n HIS 41 Ca 0.08 -1.66 -0.05 0.00 -0.26 0.00 0.00 57.72 55.83 2kfj n HIS 41 Cb 0.53 -0.25 -0.05 0.00 1.12 0.00 0.00 29.99 31.34 2kfj n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2kfj n ILE 42 N -0.56 0.50 0.00 1.59 -5.35 -1.26 -5.10 119.36 109.18 2kfj n ILE 42 Ca 0.21 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 2kfj n ILE 42 Cb 0.89 -0.82 0.00 0.00 -1.74 0.00 0.00 39.64 37.98 2kfj n ILE 42 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2kfj n SER 43 N -2.50 0.00 -3.05 7.28 2.88 -1.26 -5.17 113.62 111.79 2kfj n SER 43 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 2kfj n SER 43 Cb 0.70 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.16 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 -1.02 0.71 -3.73 -1.46 -0.04 -1.26 -4.98 135.00 123.21 2kfj n PRO 44 Ca 0.00 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.10 2kfj n PRO 44 Cb 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.35 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 -0.20 4.99 -2.47 0.52 -4.36 -1.26 -4.94 121.20 113.47 2kfj s ILE 45 Ca 0.00 0.05 0.23 0.00 -0.26 0.00 0.00 60.65 60.67 2kfj s ILE 45 Cb 0.00 -3.33 0.41 0.00 1.25 0.00 0.00 42.46 40.79 2kfj s ILE 45 CO 0.00 0.34 1.39 1.07 0.24 0.00 0.00 174.94 177.98 2kfj n THR 46 N 4.49 0.48 -3.64 8.37 5.66 -1.26 -4.90 114.28 123.48 2kfj n THR 46 Ca -0.15 -0.74 -0.08 0.00 -3.05 0.00 0.00 64.05 60.03 2kfj n THR 46 Cb 0.52 1.01 -0.07 0.00 -1.55 0.00 0.00 70.33 70.24 2kfj n THR 46 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 2kfj s LYS 47 N -1.50 0.61 -0.06 1.09 -2.85 -1.26 -5.01 119.74 110.75 2kfj s LYS 47 Ca 0.38 0.92 0.05 0.00 -1.00 0.00 0.00 55.97 56.31 2kfj s LYS 47 Cb 0.22 0.19 -0.01 0.00 -2.06 0.00 0.00 37.83 36.18 2kfj s LYS 47 CO 0.31 -0.10 -0.22 0.96 0.10 0.00 0.00 175.35 176.40 2kfj s ILE 48 N 1.05 1.86 -0.47 3.79 -4.36 -1.14 -4.93 121.20 117.00 2kfj s ILE 48 Ca -0.05 -0.94 -0.13 0.00 -0.26 0.00 0.00 60.65 59.27 2kfj s ILE 48 Cb -0.05 -1.59 0.09 0.00 1.25 0.00 0.00 42.46 42.16 2kfj s ILE 48 CO -0.12 0.52 0.36 -0.75 0.24 0.00 0.00 174.94 175.19 2kfj s LYS 49 N 0.04 2.78 0.07 0.37 2.20 -1.18 0.12 119.74 124.15 2kfj s LYS 49 Ca -0.08 -1.51 -0.08 0.00 -0.36 0.00 0.00 55.97 53.95 2kfj s LYS 49 Cb -0.14 -4.01 -0.05 0.00 -1.51 0.00 0.00 37.83 32.11 2kfj s LYS 49 CO 0.05 -1.08 0.35 1.52 -0.36 0.00 0.00 175.35 175.83 2kfj s TYR 50 N 1.52 3.56 0.80 4.03 1.13 0.78 -1.38 117.35 127.80 2kfj s TYR 50 Ca 0.04 0.68 -0.11 0.00 -1.41 0.00 0.00 57.07 56.26 2kfj s TYR 50 Cb -0.25 -2.08 0.07 0.00 -1.10 0.00 0.00 41.96 38.61 2kfj s TYR 50 CO 0.03 0.53 1.09 -1.14 -2.51 0.00 0.00 175.55 173.56 2kfj s GLN 51 N -2.00 2.02 0.27 -3.49 0.74 -0.24 -0.17 119.66 116.79 2kfj s GLN 51 Ca 0.33 0.80 0.00 0.00 0.05 0.00 0.00 55.36 56.54 2kfj s GLN 51 Cb -0.13 -1.90 0.00 0.00 1.10 0.00 0.00 33.01 32.08 2kfj s GLN 51 CO 0.19 -1.70 0.04 -3.47 -0.55 0.00 0.00 175.29 169.79 2kfj n ASP 52 N -3.51 2.59 0.02 6.67 -0.08 -1.02 -4.79 116.55 116.43 2kfj n ASP 52 Ca 0.07 -2.12 -0.13 0.00 -1.51 0.00 0.00 54.79 51.10 2kfj n ASP 52 Cb 0.55 0.15 -0.02 0.00 2.34 0.00 0.00 41.12 44.14 2kfj n ASP 52 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2kfj h GLU 53 N 0.00 0.58 0.00 -0.67 4.11 -1.96 -2.74 114.58 113.90 2kfj h GLU 53 Ca -0.21 -0.48 0.00 0.00 0.07 0.00 0.00 59.36 58.74 2kfj h GLU 53 Cb 0.66 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2kfj h GLU 53 CO 0.35 1.11 0.00 0.22 0.07 0.00 0.00 179.01 180.75 2kfj h ASP 54 N 0.40 0.00 0.00 3.06 1.82 -2.03 -3.45 116.42 116.21 2kfj h ASP 54 Ca -0.04 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 2kfj h ASP 54 Cb 1.36 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.37 2kfj h ASP 54 CO 0.14 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.38 2kfj n GLY 55 N -0.19 0.77 3.57 -0.78 0.00 -1.03 -5.06 105.19 102.46 2kfj n GLY 55 Ca 0.01 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.24 5.42 0.37 1.61 1.11 -1.26 -4.79 116.67 116.90 2kfj s ASP 56 Ca 0.00 -0.02 -0.28 0.00 0.18 0.00 0.00 52.55 52.43 2kfj s ASP 56 Cb 0.00 -1.94 -0.11 0.00 1.07 0.00 0.00 42.92 41.94 2kfj s ASP 56 CO 0.00 0.11 1.43 0.72 1.18 0.00 0.00 175.17 178.61 2kfj s PHE 57 N 0.74 2.72 -0.01 4.23 -0.12 -1.26 -2.43 117.98 121.85 2kfj s PHE 57 Ca 0.03 1.25 -0.01 0.00 -0.05 0.00 0.00 56.93 58.15 2kfj s PHE 57 Cb -0.13 -3.91 0.01 0.00 -0.63 0.00 0.00 43.02 38.35 2kfj s PHE 57 CO 0.02 -2.64 0.02 0.14 -0.05 0.00 0.00 175.22 172.71 2kfj s VAL 58 N -1.13 -0.01 0.68 -2.49 -7.23 0.76 -4.93 120.40 106.05 2kfj s VAL 58 Ca 0.52 0.03 -0.17 0.00 -1.81 0.00 0.00 61.98 60.55 2kfj s VAL 58 Cb -0.44 -0.04 0.01 0.00 0.56 0.00 0.00 36.38 36.46 2kfj s VAL 58 CO 0.60 0.01 1.24 -0.69 -0.31 0.00 0.00 175.10 175.95 2kfj s VAL 59 N 0.15 2.25 -0.17 1.32 1.01 -1.26 -0.16 120.40 123.54 2kfj s VAL 59 Ca -0.01 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 2kfj s VAL 59 Cb -0.02 -2.89 0.08 0.00 0.00 0.00 0.00 36.38 33.55 2kfj s VAL 59 CO -0.00 -0.05 0.21 -0.22 0.00 0.00 0.00 175.10 175.04 2kfj s LEU 60 N -4.70 -0.11 0.00 3.92 2.96 0.33 -4.72 118.68 116.37 2kfj s LEU 60 Ca 0.78 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.70 2kfj s LEU 60 Cb -0.32 0.38 0.04 0.00 0.50 0.00 0.00 46.19 46.79 2kfj s LEU 60 CO 0.41 -0.30 0.79 0.61 -1.32 0.00 0.00 176.35 176.54 2kfj n GLY 61 N 5.32 0.78 3.54 7.98 0.00 -1.26 -2.91 105.19 118.64 2kfj n GLY 61 Ca -0.05 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.65 0.04 0.22 1.61 0.01 -1.26 -4.98 113.70 108.70 2kfj s SER 62 Ca 0.03 -1.04 0.09 0.00 1.31 0.00 0.00 55.95 56.35 2kfj s SER 62 Cb 0.04 0.58 0.18 0.00 0.21 0.00 0.00 66.02 67.02 2kfj s SER 62 CO -0.02 -1.14 1.51 -2.24 0.41 0.00 0.00 173.24 171.76 2kfj h ASP 63 N 2.27 0.00 0.77 2.44 3.04 -1.96 -1.27 116.42 121.71 2kfj h ASP 63 Ca -0.27 -0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.51 2kfj h ASP 63 Cb 1.25 -0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 2kfj h ASP 63 CO 0.38 0.74 0.00 1.21 -2.04 0.00 0.00 179.24 179.53 2kfj n GLU 64 N -3.66 0.02 -0.01 4.15 2.13 -1.26 0.10 120.64 122.11 2kfj n GLU 64 Ca -0.01 0.10 0.07 0.00 0.66 0.00 0.00 57.16 57.99 2kfj n GLU 64 Cb 0.72 -1.50 -0.11 0.00 0.27 0.00 0.00 31.44 30.82 2kfj n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2kfj n ASP 65 N -1.49 1.49 -0.03 4.31 9.92 -1.01 -3.11 116.55 126.64 2kfj n ASP 65 Ca 0.06 -0.13 0.07 0.00 -0.53 0.00 0.00 54.79 54.25 2kfj n ASP 65 Cb 0.26 1.56 -0.17 0.00 -0.64 0.00 0.00 41.12 42.14 2kfj n ASP 65 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 2kfj n TRP 66 N -1.90 0.00 -0.03 1.24 -0.00 -0.51 -3.85 117.44 112.38 2kfj n TRP 66 Ca -0.02 0.00 -0.22 0.00 -0.00 0.00 0.00 57.50 57.27 2kfj n TRP 66 Cb 0.36 -0.58 -0.13 0.00 -0.00 0.00 0.00 31.31 30.95 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 -2.34 2.06 0.28 5.87 5.15 0.28 -2.81 115.26 123.75 2kfj n ASN 67 Ca -0.09 0.25 0.12 0.00 -0.60 0.00 0.00 54.58 54.26 2kfj n ASN 67 Cb 0.67 -0.88 0.78 0.00 -0.53 0.00 0.00 39.78 39.82 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 -0.22 0.76 0.06 3.44 2.07 -1.69 -0.62 116.25 120.05 2kfj h VAL 68 Ca -0.42 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 2kfj h VAL 68 Cb 1.84 1.02 0.01 0.00 -1.52 0.00 0.00 31.29 32.64 2kfj h VAL 68 CO -0.00 0.01 -0.35 0.00 0.02 0.00 0.00 177.57 177.25 2kfj h ALA 69 N 1.99 -0.04 0.17 1.67 0.00 -1.69 -3.24 119.26 118.12 2kfj h ALA 69 Ca -0.00 -0.58 0.01 0.00 0.00 0.00 0.00 54.91 54.34 2kfj h ALA 69 Cb 0.02 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2kfj h ALA 69 CO 0.00 0.16 -0.46 0.87 0.00 0.00 0.00 179.25 179.82 2kfj h LYS 70 N -0.71 -0.68 -0.83 0.00 1.57 -1.19 0.31 116.57 115.05 2kfj h LYS 70 Ca -0.06 0.05 0.24 0.00 -1.87 0.00 0.00 60.65 59.01 2kfj h LYS 70 Cb 1.26 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.69 2kfj h LYS 70 CO 0.07 -0.45 0.92 0.93 -0.57 0.00 0.00 179.45 180.34 2kfj h GLU 71 N -0.71 0.00 0.15 3.15 4.39 -1.29 1.02 114.58 121.29 2kfj h GLU 71 Ca -0.01 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.46 2kfj h GLU 71 Cb 0.69 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.36 2kfj h GLU 71 CO -0.22 0.00 -0.98 1.98 -1.16 0.00 0.00 179.01 178.64 2kfj h MET 72 N 0.00 0.39 -0.48 2.33 4.05 -0.50 -3.30 114.93 117.42 2kfj h MET 72 Ca 0.39 -0.63 0.09 0.00 -0.28 0.00 0.00 59.70 59.28 2kfj h MET 72 Cb 2.23 0.23 -0.08 0.00 -0.80 0.00 0.00 31.60 33.17 2kfj h MET 72 CO -0.00 1.29 -0.06 -0.07 0.23 0.00 0.00 176.91 178.29 2kfj h LEU 73 N -0.18 -0.33 -1.96 3.39 4.07 0.30 1.10 115.31 121.69 2kfj h LEU 73 Ca -0.17 0.13 0.16 0.00 0.08 0.00 0.00 57.88 58.08 2kfj h LEU 73 Cb 1.75 0.25 -0.02 0.00 1.08 0.00 0.00 40.66 43.72 2kfj h LEU 73 CO 0.18 -0.12 0.50 0.00 -1.08 0.00 0.00 178.44 177.93 2kfj h ALA 74 N 1.45 2.34 0.00 1.53 0.00 -1.54 1.28 119.26 124.32 2kfj h ALA 74 Ca 0.23 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 2kfj h ALA 74 Cb 0.36 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2kfj h ALA 74 CO -0.45 -0.78 -1.65 0.39 0.00 0.00 0.00 179.25 176.76 2kfj n GLU 75 N -3.90 0.64 0.11 0.00 -0.58 0.27 -3.85 120.64 113.33 2kfj n GLU 75 Ca 0.10 0.16 0.13 0.00 -0.42 0.00 0.00 57.16 57.13 2kfj n GLU 75 Cb 0.72 -1.74 0.32 0.00 -0.57 0.00 0.00 31.44 30.17 2kfj n GLU 75 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 2kfj h ASN 76 N 0.00 0.00 -5.76 1.62 2.35 0.68 -3.47 115.58 111.00 2kfj h ASN 76 Ca -0.22 -0.05 -0.38 0.00 -0.55 0.00 0.00 56.30 55.10 2kfj h ASN 76 Cb 1.69 0.00 0.15 0.00 0.05 0.00 0.00 38.32 40.20 2kfj h ASN 76 CO 0.04 0.03 -0.70 0.59 -1.65 0.00 0.00 177.43 175.74 2kfj n ASN 77 N -2.32 -5.26 -4.37 5.81 3.02 0.38 -4.99 115.26 107.53 2kfj n ASN 77 Ca 0.05 -0.56 -0.31 0.00 -0.03 0.00 0.00 54.58 53.73 2kfj n ASN 77 Cb 0.45 -5.03 -0.15 0.00 -0.61 0.00 0.00 39.78 34.44 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 -6.06 2.20 -0.15 3.52 -1.05 -1.16 -5.00 118.70 110.99 2kfj s GLU 78 Ca 0.43 -0.88 0.16 0.00 -0.15 0.00 0.00 54.97 54.54 2kfj s GLU 78 Cb -0.19 -2.14 0.63 0.00 -0.44 0.00 0.00 34.13 31.99 2kfj s GLU 78 CO 0.72 0.57 1.54 1.63 0.95 0.00 0.00 175.26 180.68 2kfj n LYS 79 N 2.31 3.64 -4.27 -4.83 4.76 -1.26 -4.74 118.16 113.77 2kfj n LYS 79 Ca -0.16 -2.84 -0.18 0.00 -2.87 0.00 0.00 58.31 52.26 2kfj n LYS 79 Cb 0.51 -1.89 -0.09 0.00 -1.84 0.00 0.00 35.03 31.73 2kfj n LYS 79 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 2kfj s PHE 80 N -2.30 1.65 0.18 2.13 -0.71 -1.26 -1.95 117.98 115.71 2kfj s PHE 80 Ca 0.45 -1.61 -0.08 0.00 -1.04 0.00 0.00 56.93 54.66 2kfj s PHE 80 Cb 0.33 -0.69 -0.01 0.00 -1.21 0.00 0.00 43.02 41.43 2kfj s PHE 80 CO 0.16 -0.82 0.27 -1.17 -1.34 0.00 0.00 175.22 172.33 2kfj s LEU 81 N -3.34 0.96 -0.10 -1.99 0.20 0.39 -4.79 118.68 110.02 2kfj s LEU 81 Ca 0.40 -0.96 0.02 0.00 0.69 0.00 0.00 54.13 54.28 2kfj s LEU 81 Cb 0.03 1.11 0.01 0.00 -0.43 0.00 0.00 46.19 46.91 2kfj s LEU 81 CO 0.25 -0.91 -0.15 0.21 -0.29 0.00 0.00 176.35 175.46 2kfj s ASN 82 N -3.00 2.37 0.04 3.68 2.47 -1.26 -1.15 114.94 118.08 2kfj s ASN 82 Ca 0.21 -0.41 0.05 0.00 0.42 0.00 0.00 52.86 53.12 2kfj s ASN 82 Cb 0.03 -1.06 -0.02 0.00 -1.45 0.00 0.00 41.25 38.75 2kfj s ASN 82 CO 0.03 0.02 -0.14 -0.63 -3.72 0.00 0.00 177.10 172.65 2kfj s ILE 83 N 0.95 1.12 -0.01 -5.21 -1.09 0.22 -1.07 121.20 116.10 2kfj s ILE 83 Ca -0.08 -0.99 0.07 0.00 -2.23 0.00 0.00 60.65 57.42 2kfj s ILE 83 Cb -0.15 -1.01 -0.02 0.00 -1.58 0.00 0.00 42.46 39.70 2kfj s ILE 83 CO -0.01 0.02 -0.21 -0.60 -1.23 0.00 0.00 174.94 172.92 2kfj s ARG 84 N -1.10 1.69 -0.06 2.79 3.52 -0.48 0.19 118.95 125.49 2kfj s ARG 84 Ca 0.02 -0.76 -0.06 0.00 -0.13 0.00 0.00 55.73 54.79 2kfj s ARG 84 Cb -0.08 -1.64 0.02 0.00 -1.56 0.00 0.00 34.95 31.69 2kfj s ARG 84 CO 0.01 0.45 0.18 -0.51 -0.81 0.00 0.00 175.30 174.62 2kfj s LEU 85 N -0.54 1.33 0.00 -0.88 2.01 0.40 -3.10 118.68 117.91 2kfj s LEU 85 Ca 0.08 0.31 0.00 0.00 0.01 0.00 0.00 54.13 54.54 2kfj s LEU 85 Cb -0.08 0.63 0.00 0.00 0.01 0.00 0.00 46.19 46.74 2kfj s LEU 85 CO -0.01 -0.09 0.00 0.00 1.01 0.00 0.00 176.35 177.26