#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 -2.13 1.53 -0.00 -1.26 -4.72 117.00 110.42 2kfj n LEU 2 Ca 0.00 0.50 -0.26 0.00 -0.00 0.00 0.00 56.01 56.24 2kfj n LEU 2 Cb 0.00 -1.00 0.03 0.00 -0.00 0.00 0.00 43.42 42.45 2kfj n LEU 2 CO 0.00 -0.00 0.43 0.61 -0.00 0.00 0.00 177.39 178.43 2kfj n GLY 3 N -0.50 6.27 3.04 1.47 0.00 -1.26 -5.00 105.19 109.20 2kfj n GLY 3 Ca -0.00 -2.61 -0.11 0.00 0.00 0.00 0.00 46.02 43.30 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 -3.24 0.59 0.09 1.61 1.04 -1.26 -1.95 113.70 110.58 2kfj s SER 4 Ca 0.53 -0.59 0.03 0.00 0.48 0.00 0.00 55.95 56.41 2kfj s SER 4 Cb 0.43 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 2kfj s SER 4 CO 0.00 -0.29 -0.09 -0.63 0.98 0.00 0.00 173.24 173.22 2kfj s ILE 5 N -1.71 0.83 0.16 -1.02 1.01 0.80 -4.86 121.20 116.40 2kfj s ILE 5 Ca -0.10 -1.65 0.04 0.00 0.00 0.00 0.00 60.65 58.94 2kfj s ILE 5 Cb -0.08 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 2kfj s ILE 5 CO -0.01 -0.62 0.22 -0.22 0.00 0.00 0.00 174.94 174.30 2kfj s LEU 6 N -2.50 4.09 -0.21 2.97 0.20 -1.26 0.12 118.68 122.10 2kfj s LEU 6 Ca 0.05 0.03 -0.04 0.00 0.69 0.00 0.00 54.13 54.86 2kfj s LEU 6 Cb -0.02 -2.68 0.08 0.00 -0.43 0.00 0.00 46.19 43.15 2kfj s LEU 6 CO -0.01 0.06 0.16 -0.36 -0.29 0.00 0.00 176.35 175.91 2kfj s PHE 7 N -1.75 -0.00 -0.24 5.38 0.40 0.17 0.05 117.98 121.99 2kfj s PHE 7 Ca 0.33 -0.21 -0.21 0.00 -0.60 0.00 0.00 56.93 56.24 2kfj s PHE 7 Cb -0.11 -0.59 -0.02 0.00 0.51 0.00 0.00 43.02 42.81 2kfj s PHE 7 CO 0.26 -0.63 0.68 1.03 0.70 0.00 0.00 175.22 177.26 2kfj s ARG 8 N 2.22 4.15 -0.69 0.44 0.52 -1.04 0.42 118.95 124.98 2kfj s ARG 8 Ca 0.05 0.66 -0.14 0.00 -0.52 0.00 0.00 55.73 55.79 2kfj s ARG 8 Cb -0.16 -3.63 0.18 0.00 0.52 0.00 0.00 34.95 31.86 2kfj s ARG 8 CO -0.17 -0.39 0.62 0.42 0.02 0.00 0.00 175.30 175.81 2kfj s ILE 9 N 2.42 5.25 -0.26 1.52 1.09 -0.90 0.57 121.20 130.89 2kfj s ILE 9 Ca 0.29 -2.11 -0.12 0.00 -1.10 0.00 0.00 60.65 57.61 2kfj s ILE 9 Cb -0.16 -4.31 -0.05 0.00 -1.06 0.00 0.00 42.46 36.89 2kfj s ILE 9 CO 0.09 -0.94 0.25 -0.44 -0.10 0.00 0.00 174.94 173.79 2kfj s SER 10 N 2.61 6.15 0.30 3.58 0.01 -1.09 -2.52 113.70 122.75 2kfj s SER 10 Ca 0.12 0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.56 2kfj s SER 10 Cb -0.19 -2.15 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 2kfj s SER 10 CO -0.04 -0.05 0.16 -0.47 0.41 0.00 0.00 173.24 173.25 2kfj s TYR 11 N 1.57 1.60 0.52 2.43 5.04 -0.62 -0.23 117.35 127.65 2kfj s TYR 11 Ca 0.10 -1.37 0.46 0.00 -2.44 0.00 0.00 57.07 53.82 2kfj s TYR 11 Cb -0.15 -0.86 1.58 0.00 0.35 0.00 0.00 41.96 42.89 2kfj s TYR 11 CO 0.08 -0.52 1.44 -1.71 -1.34 0.00 0.00 175.55 173.50 2kfj n ASN 12 N -0.93 0.00 0.00 4.32 2.85 -1.26 -2.10 115.26 118.14 2kfj n ASN 12 Ca 0.01 0.91 0.00 0.00 -0.11 0.00 0.00 54.58 55.39 2kfj n ASN 12 Cb 0.65 -0.45 0.00 0.00 1.24 0.00 0.00 39.78 41.22 2kfj n ASN 12 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2kfj n SER 13 N -3.75 0.00 -1.01 1.20 7.64 -1.26 -5.07 113.62 111.37 2kfj n SER 13 Ca 0.41 0.01 -0.00 0.00 1.01 0.00 0.00 58.87 60.29 2kfj n SER 13 Cb 1.86 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 65.06 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 -0.01 0.00 -3.89 1.43 1.02 -0.89 -5.15 120.64 113.15 2kfj n GLU 14 Ca 0.00 -0.02 -0.36 0.00 -0.02 0.00 0.00 57.16 56.77 2kfj n GLU 14 Cb 0.00 0.02 -0.12 0.00 -0.02 0.00 0.00 31.44 31.31 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 -2.50 4.22 0.37 -3.67 1.09 -1.26 -1.59 121.20 117.85 2kfj s ILE 15 Ca 0.00 -0.21 0.00 0.00 -1.10 0.00 0.00 60.65 59.34 2kfj s ILE 15 Cb -0.00 -2.95 0.00 0.00 -1.06 0.00 0.00 42.46 38.46 2kfj s ILE 15 CO 0.00 0.38 0.02 0.49 -0.10 0.00 0.00 174.94 175.73 2kfj n PHE 16 N 4.54 0.75 -4.23 3.97 3.72 -1.05 -4.96 117.46 120.20 2kfj n PHE 16 Ca -0.17 -1.80 -0.17 0.00 -0.05 0.00 0.00 57.45 55.27 2kfj n PHE 16 Cb 0.52 -0.25 -0.11 0.00 -0.94 0.00 0.00 39.48 38.70 2kfj n PHE 16 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2kfj s THR 17 N -2.30 1.23 -0.27 4.37 -4.23 -1.26 -2.13 115.64 111.05 2kfj s THR 17 Ca 0.01 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 2kfj s THR 17 Cb -0.00 -1.50 0.16 0.00 1.34 0.00 0.00 72.50 72.50 2kfj s THR 17 CO 0.01 -0.46 0.46 -0.22 -0.54 0.00 0.00 174.62 173.86 2kfj s LEU 18 N -2.48 -0.95 -0.48 4.79 1.98 0.17 -4.85 118.68 116.86 2kfj s LEU 18 Ca 0.08 0.17 -0.28 0.00 -2.89 0.00 0.00 54.13 51.21 2kfj s LEU 18 Cb -0.04 1.43 -0.01 0.00 0.66 0.00 0.00 46.19 48.23 2kfj s LEU 18 CO 0.02 -0.31 1.65 -0.22 -1.89 0.00 0.00 176.35 175.60 2kfj s LEU 19 N 2.64 3.43 -0.21 -0.68 1.98 -1.26 0.43 118.68 125.01 2kfj s LEU 19 Ca 0.13 0.69 -0.06 0.00 -2.89 0.00 0.00 54.13 52.00 2kfj s LEU 19 Cb -0.14 -3.13 -0.03 0.00 0.66 0.00 0.00 46.19 43.55 2kfj s LEU 19 CO -0.22 -1.84 0.02 0.54 -1.89 0.00 0.00 176.35 172.96 2kfj s VAL 20 N 7.00 4.12 1.14 1.68 0.11 0.34 -4.95 120.40 129.84 2kfj s VAL 20 Ca 0.66 -0.25 -0.13 0.00 -2.93 0.00 0.00 61.98 59.33 2kfj s VAL 20 Cb -0.15 -2.88 0.27 0.00 -1.53 0.00 0.00 36.38 32.09 2kfj s VAL 20 CO 0.28 0.41 1.04 -1.61 -3.33 0.00 0.00 175.10 171.88 2kfj s GLU 21 N 1.09 -0.75 -0.02 1.54 2.02 -1.26 -0.14 118.70 121.17 2kfj s GLU 21 Ca 0.03 0.84 0.08 0.00 0.02 0.00 0.00 54.97 55.94 2kfj s GLU 21 Cb -0.14 -1.57 0.27 0.00 0.10 0.00 0.00 34.13 32.78 2kfj s GLU 21 CO 0.02 -3.61 1.17 1.63 0.02 0.00 0.00 175.26 174.49 2kfj n LYS 22 N -4.84 1.84 -0.04 1.61 5.02 -0.82 -3.43 118.16 117.50 2kfj n LYS 22 Ca 0.04 -1.08 -0.05 0.00 -2.02 0.00 0.00 58.31 55.19 2kfj n LYS 22 Cb 0.54 -1.34 -0.06 0.00 -0.02 0.00 0.00 35.03 34.15 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 0.33 0.58 -1.56 -0.18 3.14 -1.26 -4.88 118.33 114.50 2kfj n VAL 23 Ca 0.10 -0.32 -0.13 0.00 -2.96 0.00 0.00 64.34 61.02 2kfj n VAL 23 Cb 0.32 -0.80 -0.08 0.00 -1.06 0.00 0.00 33.84 32.22 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 -2.42 1.08 -0.47 1.45 7.02 -1.22 -4.88 117.44 118.00 2kfj n TRP 24 Ca -0.15 -0.03 -0.23 0.00 -1.02 0.00 0.00 57.50 56.07 2kfj n TRP 24 Cb 0.75 -2.51 0.19 0.00 -2.42 0.00 0.00 31.31 27.33 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 18.16 -3.16 -0.35 -0.99 6.94 -1.26 -3.93 115.26 130.67 2kfj n ASN 25 Ca 0.47 -0.47 0.24 0.00 -0.02 0.00 0.00 54.58 54.81 2kfj n ASN 25 Cb 0.42 -0.87 0.49 0.00 -2.36 0.00 0.00 39.78 37.46 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 -2.85 0.80 0.00 -2.53 -5.15 -1.90 0.42 116.94 105.73 2kfj h PHE 26 Ca -0.33 0.03 0.00 0.00 -0.20 0.00 0.00 57.97 57.47 2kfj h PHE 26 Cb 0.99 -0.22 0.00 0.00 0.22 0.00 0.00 35.95 36.94 2kfj h PHE 26 CO -2.70 -0.03 0.00 -3.47 -2.00 0.00 0.00 178.31 170.10 2kfj n ASP 27 N -4.81 0.00 -0.33 -0.68 -0.08 -1.26 -1.19 116.55 108.20 2kfj n ASP 27 Ca 0.29 0.88 0.36 0.00 -1.51 0.00 0.00 54.79 54.81 2kfj n ASP 27 Cb 0.95 -0.42 0.75 0.00 2.34 0.00 0.00 41.12 44.74 2kfj n ASP 27 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2kfj h ASP 28 N 0.00 0.00 0.51 1.67 3.45 -1.65 0.39 116.42 120.79 2kfj h ASP 28 Ca 0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 2kfj h ASP 28 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2kfj h ASP 28 CO 0.00 0.00 -0.24 0.25 -1.57 0.00 0.00 179.24 177.68 2kfj h LEU 29 N 0.00 -0.58 -0.67 1.55 5.85 0.17 0.58 115.31 122.21 2kfj h LEU 29 Ca 0.58 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.34 2kfj h LEU 29 Cb 2.36 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 43.49 2kfj h LEU 29 CO -0.01 -0.37 0.39 0.40 -0.34 0.00 0.00 178.44 178.51 2kfj h ILE 30 N -0.74 1.00 0.00 4.05 1.08 0.12 0.78 117.51 123.81 2kfj h ILE 30 Ca -0.07 -0.25 -0.03 0.00 -0.39 0.00 0.00 64.86 64.12 2kfj h ILE 30 Cb 0.55 0.21 -0.00 0.00 -3.07 0.00 0.00 36.82 34.50 2kfj h ILE 30 CO 0.11 0.13 -0.14 0.24 -0.69 0.00 0.00 178.15 177.80 2kfj h MET 31 N 0.72 0.00 0.32 2.37 2.86 -0.93 0.21 114.93 120.48 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 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2kfj h MET 31 CO -0.16 0.14 -0.15 0.00 1.06 0.00 0.00 176.91 177.80 2kfj h ALA 32 N 1.86 -0.42 -0.19 6.32 0.00 0.26 -1.46 119.26 125.62 2kfj h ALA 32 Ca -0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2kfj h ALA 32 Cb 0.44 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2kfj h ALA 32 CO 0.02 -0.60 -0.03 0.82 0.00 0.00 0.00 179.25 179.46 2kfj h ILE 33 N -0.70 1.28 -0.09 0.00 5.03 -1.25 -2.08 117.51 119.70 2kfj h ILE 33 Ca -0.04 -0.97 0.03 0.00 -0.12 0.00 0.00 64.86 63.76 2kfj h ILE 33 Cb 0.48 1.53 -0.00 0.00 -3.03 0.00 0.00 36.82 35.80 2kfj h ILE 33 CO 0.07 0.29 0.36 0.78 -0.68 0.00 0.00 178.15 178.98 2kfj h ASN 34 N 0.08 0.00 0.06 1.72 -0.26 -0.96 0.74 115.58 116.96 2kfj h ASN 34 Ca 0.05 0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.59 2kfj h ASN 34 Cb 0.45 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.72 2kfj h ASN 34 CO 0.02 0.00 -0.73 -1.28 -1.06 0.00 0.00 177.43 174.37 2kfj h SER 35 N 0.00 0.70 -0.05 5.81 0.87 -0.52 0.73 113.55 121.09 2kfj h SER 35 Ca 0.04 -0.45 -0.11 0.00 -1.23 0.00 0.00 61.79 60.04 2kfj h SER 35 Cb 0.77 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 62.53 2kfj h SER 35 CO -0.00 1.21 -0.40 0.11 -0.53 0.00 0.00 176.83 177.23 2kfj h LYS 36 N 0.41 0.36 -0.00 2.24 6.56 0.47 -3.00 116.57 123.61 2kfj h LYS 36 Ca -0.04 -0.32 0.00 0.00 -1.06 0.00 0.00 60.65 59.24 2kfj h LYS 36 Cb 1.33 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 33.06 2kfj h LYS 36 CO 0.14 0.97 -0.04 0.44 -2.06 0.00 0.00 179.45 178.91 2kfj n ILE 37 N -4.36 0.00 -0.04 1.86 -5.35 -0.40 -3.78 119.36 107.29 2kfj n ILE 37 Ca -0.09 -0.03 0.24 0.00 -0.27 0.00 0.00 62.75 62.59 2kfj n ILE 37 Cb 0.55 -0.31 0.59 0.00 -1.74 0.00 0.00 39.64 38.73 2kfj n ILE 37 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2kfj h SER 38 N 0.32 0.00 -1.78 7.28 0.87 0.65 0.13 113.55 121.01 2kfj h SER 38 Ca 0.00 0.00 0.54 0.00 -1.23 0.00 0.00 61.79 61.10 2kfj h SER 38 Cb 0.24 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.10 2kfj h SER 38 CO 0.00 0.00 1.25 -1.13 -0.53 0.00 0.00 176.83 176.42 2kfj h ASN 39 N 0.00 0.06 -3.40 6.23 -1.24 -1.79 -3.33 115.58 112.12 2kfj h ASN 39 Ca 0.33 0.05 -0.66 0.00 0.71 0.00 0.00 56.30 56.73 2kfj h ASN 39 Cb 1.97 0.05 -0.26 0.00 0.73 0.00 0.00 38.32 40.81 2kfj h ASN 39 CO -0.00 -0.08 -0.76 0.28 -1.29 0.00 0.00 177.43 175.58 2kfj s THR 40 N -4.99 3.11 -0.29 -3.57 -1.32 0.45 -5.00 115.64 104.02 2kfj s THR 40 Ca -0.06 -0.65 0.08 0.00 -1.21 0.00 0.00 61.69 59.85 2kfj s THR 40 Cb 0.28 -2.30 0.46 0.00 -1.51 0.00 0.00 72.50 69.44 2kfj s THR 40 CO 0.87 0.53 1.19 1.41 -2.21 0.00 0.00 174.62 176.41 2kfj n HIS 41 N 3.37 2.69 -0.08 9.09 8.25 -1.25 -4.62 115.22 132.67 2kfj n HIS 41 Ca -0.18 -2.22 -0.10 0.00 -0.26 0.00 0.00 57.72 54.96 2kfj n HIS 41 Cb 0.53 -0.34 -0.09 0.00 1.12 0.00 0.00 29.99 31.21 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 -0.71 0.97 0.00 1.59 -5.35 -1.26 -4.97 119.36 109.63 2kfj n ILE 42 Ca 0.43 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 2kfj n ILE 42 Cb 0.96 -0.92 0.00 0.00 -1.74 0.00 0.00 39.64 37.94 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 -2.80 0.00 -3.03 7.28 2.88 -1.26 -5.18 113.62 111.51 2kfj n SER 43 Ca -0.27 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 2kfj n SER 43 Cb 0.88 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.34 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 0.00 0.66 -3.75 -1.46 -0.04 -1.26 -5.05 135.00 124.10 2kfj n PRO 44 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 2kfj n PRO 44 Cb 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.31 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 -0.23 1.05 -1.50 0.52 -5.25 -1.26 -4.95 121.20 109.58 2kfj s ILE 45 Ca 0.00 -1.64 0.21 0.00 -0.99 0.00 0.00 60.65 58.23 2kfj s ILE 45 Cb 0.00 -1.78 0.39 0.00 2.95 0.00 0.00 42.46 44.02 2kfj s ILE 45 CO 0.00 -0.71 1.65 0.35 -1.79 0.00 0.00 174.94 174.44 2kfj n THR 46 N 4.61 0.33 -5.10 8.37 -2.24 -1.26 -4.59 114.28 114.39 2kfj n THR 46 Ca 0.00 0.08 -0.31 0.00 -2.27 0.00 0.00 64.05 61.55 2kfj n THR 46 Cb 0.41 -0.74 -0.17 0.00 -2.10 0.00 0.00 70.33 67.72 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 -2.50 2.83 -0.02 -0.78 -0.14 -1.26 -4.84 119.74 113.04 2kfj s LYS 47 Ca 0.21 -0.80 0.04 0.00 -1.36 0.00 0.00 55.97 54.06 2kfj s LYS 47 Cb 0.14 -2.16 -0.01 0.00 -1.68 0.00 0.00 37.83 34.12 2kfj s LYS 47 CO 0.30 0.15 -0.15 0.96 -0.76 0.00 0.00 175.35 175.85 2kfj s ILE 48 N 0.41 1.18 -0.39 2.17 -5.25 -1.18 -4.97 121.20 113.17 2kfj s ILE 48 Ca -0.18 -0.63 -0.19 0.00 -0.99 0.00 0.00 60.65 58.67 2kfj s ILE 48 Cb -0.18 -0.99 0.01 0.00 2.95 0.00 0.00 42.46 44.25 2kfj s ILE 48 CO 0.08 0.34 0.56 -0.75 -1.79 0.00 0.00 174.94 173.37 2kfj s LYS 49 N -0.25 3.44 0.02 0.37 2.20 -1.05 0.75 119.74 125.21 2kfj s LYS 49 Ca 0.04 -0.29 -0.00 0.00 -0.36 0.00 0.00 55.97 55.35 2kfj s LYS 49 Cb -0.07 -3.88 -0.04 0.00 -1.51 0.00 0.00 37.83 32.34 2kfj s LYS 49 CO -0.00 -0.80 0.12 1.52 -0.36 0.00 0.00 175.35 175.83 2kfj s TYR 50 N 2.53 3.35 0.38 4.03 1.13 0.35 0.10 117.35 129.23 2kfj s TYR 50 Ca 0.20 0.22 -0.24 0.00 -1.41 0.00 0.00 57.07 55.83 2kfj s TYR 50 Cb -0.15 -1.73 -0.09 0.00 -1.10 0.00 0.00 41.96 38.88 2kfj s TYR 50 CO 0.15 0.57 1.02 -1.14 -2.51 0.00 0.00 175.55 173.64 2kfj s GLN 51 N -2.03 4.27 0.09 -3.49 0.74 -0.33 -0.89 119.66 118.01 2kfj s GLN 51 Ca 0.27 1.44 0.01 0.00 0.05 0.00 0.00 55.36 57.13 2kfj s GLN 51 Cb -0.12 -2.58 0.01 0.00 1.10 0.00 0.00 33.01 31.41 2kfj s GLN 51 CO 0.19 -0.03 0.04 -3.47 -0.55 0.00 0.00 175.29 171.47 2kfj n ASP 52 N 0.05 1.62 0.21 6.67 2.03 -0.71 -4.79 116.55 121.64 2kfj n ASP 52 Ca 0.04 -1.33 0.14 0.00 0.52 0.00 0.00 54.79 54.17 2kfj n ASP 52 Cb 0.50 0.02 0.48 0.00 -0.72 0.00 0.00 41.12 41.39 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 0.00 -0.11 -0.67 -0.00 -1.89 -2.28 114.58 109.64 2kfj h GLU 53 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.30 2kfj h GLU 53 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.96 2kfj h GLU 53 CO 0.10 0.00 0.00 -0.25 -0.00 0.00 0.00 179.01 178.86 2kfj n ASP 54 N -2.83 0.79 -0.28 3.06 9.92 -1.26 -4.85 116.55 121.11 2kfj n ASP 54 Ca 0.02 -1.73 -0.04 0.00 -0.53 0.00 0.00 54.79 52.52 2kfj n ASP 54 Cb 0.37 -0.07 -0.02 0.00 -0.64 0.00 0.00 41.12 40.76 2kfj n ASP 54 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kfj n GLY 55 N 0.87 0.42 3.93 0.44 0.00 -0.86 -4.95 105.19 105.03 2kfj n GLY 55 Ca 0.11 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.17 6.29 -0.24 1.61 -0.00 -1.26 -4.84 116.67 116.05 2kfj s ASP 56 Ca 0.00 0.17 -0.20 0.00 -0.00 0.00 0.00 52.55 52.53 2kfj s ASP 56 Cb 0.00 -1.89 -0.02 0.00 -0.00 0.00 0.00 42.92 41.01 2kfj s ASP 56 CO 0.00 0.08 0.59 -0.36 -0.00 0.00 0.00 175.17 175.48 2kfj s PHE 57 N -1.68 3.30 0.10 4.23 0.40 -1.26 -1.73 117.98 121.34 2kfj s PHE 57 Ca 0.34 0.78 0.10 0.00 -0.60 0.00 0.00 56.93 57.55 2kfj s PHE 57 Cb -0.11 -2.79 -0.04 0.00 0.51 0.00 0.00 43.02 40.59 2kfj s PHE 57 CO 0.28 -0.27 -0.24 0.14 0.70 0.00 0.00 175.22 175.82 2kfj s VAL 58 N 2.29 2.01 0.49 -0.44 -7.23 -0.07 -4.92 120.40 112.52 2kfj s VAL 58 Ca 0.25 -1.58 -0.21 0.00 -1.81 0.00 0.00 61.98 58.63 2kfj s VAL 58 Cb -0.16 -1.78 -0.08 0.00 0.56 0.00 0.00 36.38 34.93 2kfj s VAL 58 CO 0.09 0.09 1.08 0.54 -0.31 0.00 0.00 175.10 176.59 2kfj s VAL 59 N -1.03 3.53 -0.09 1.32 0.11 -1.26 0.13 120.40 123.12 2kfj s VAL 59 Ca 0.11 1.00 -0.01 0.00 -2.93 0.00 0.00 61.98 60.15 2kfj s VAL 59 Cb -0.10 -3.43 0.03 0.00 -1.53 0.00 0.00 36.38 31.35 2kfj s VAL 59 CO 0.04 -0.16 -0.03 -0.22 -3.33 0.00 0.00 175.10 171.41 2kfj s LEU 60 N -3.41 0.82 0.00 2.54 2.96 0.23 -4.76 118.68 117.06 2kfj s LEU 60 Ca 0.67 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.42 2kfj s LEU 60 Cb -0.21 -0.58 0.00 0.00 0.50 0.00 0.00 46.19 45.90 2kfj s LEU 60 CO 0.24 -0.16 0.74 0.61 -1.32 0.00 0.00 176.35 176.46 2kfj n GLY 61 N 5.04 0.45 3.49 7.98 0.00 -1.26 -3.11 105.19 117.78 2kfj n GLY 61 Ca -0.09 0.00 -0.09 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 -0.65 -0.07 0.26 1.61 0.01 -1.26 -4.96 113.70 108.64 2kfj s SER 62 Ca 0.00 -0.86 0.10 0.00 1.31 0.00 0.00 55.95 56.50 2kfj s SER 62 Cb 0.00 0.53 0.29 0.00 0.21 0.00 0.00 66.02 67.05 2kfj s SER 62 CO 0.00 -1.04 1.57 -2.24 0.41 0.00 0.00 173.24 171.94 2kfj h ASP 63 N 2.35 0.00 -0.37 2.44 3.04 -1.96 -0.67 116.42 121.25 2kfj h ASP 63 Ca -0.29 0.00 -0.11 0.00 -3.24 0.00 0.00 57.03 53.39 2kfj h ASP 63 Cb 1.25 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.52 2kfj h ASP 63 CO 0.40 0.66 -0.17 -0.08 -2.04 0.00 0.00 179.24 178.01 2kfj h GLU 64 N 0.00 0.85 0.00 4.15 4.81 -1.97 1.45 114.58 123.87 2kfj h GLU 64 Ca -0.01 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2kfj h GLU 64 Cb 1.18 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2kfj h GLU 64 CO 0.09 0.95 -0.34 -0.25 -0.73 0.00 0.00 179.01 178.73 2kfj n ASP 65 N -4.13 0.46 -0.01 1.04 8.00 -1.14 -0.08 116.55 120.69 2kfj n ASP 65 Ca 0.01 0.15 0.06 0.00 0.71 0.00 0.00 54.79 55.71 2kfj n ASP 65 Cb 0.41 -0.10 -0.14 0.00 -0.02 0.00 0.00 41.12 41.27 2kfj n ASP 65 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 2kfj n TRP 66 N -1.76 0.24 -0.10 1.24 -0.00 -0.27 -3.25 117.44 113.53 2kfj n TRP 66 Ca 0.05 0.07 -0.24 0.00 -0.00 0.00 0.00 57.50 57.39 2kfj n TRP 66 Cb 0.38 -0.72 -0.11 0.00 -0.00 0.00 0.00 31.31 30.85 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 -2.48 1.96 -0.09 5.87 3.02 0.49 -3.02 115.26 121.01 2kfj n ASN 67 Ca -0.10 0.28 -0.01 0.00 -0.03 0.00 0.00 54.58 54.72 2kfj n ASN 67 Cb 0.71 -0.82 0.25 0.00 -0.61 0.00 0.00 39.78 39.32 2kfj n ASN 67 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2kfj h VAL 68 N -0.68 1.20 -0.00 2.41 2.07 -0.66 0.21 116.25 120.80 2kfj h VAL 68 Ca -0.52 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 2kfj h VAL 68 Cb 1.62 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2kfj h VAL 68 CO -0.22 0.26 -0.00 0.00 0.02 0.00 0.00 177.57 177.63 2kfj h ALA 69 N 1.45 0.00 -0.66 1.67 0.00 -1.71 -0.95 119.26 119.05 2kfj h ALA 69 Ca 0.17 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.89 2kfj h ALA 69 Cb 0.22 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 2kfj h ALA 69 CO -0.01 -0.24 0.36 0.87 0.00 0.00 0.00 179.25 180.22 2kfj h LYS 70 N -0.50 0.63 0.00 0.00 1.57 -1.39 0.20 116.57 117.08 2kfj h LYS 70 Ca 0.00 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2kfj h LYS 70 Cb 0.51 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 2kfj h LYS 70 CO 0.00 0.42 -0.14 0.93 -0.57 0.00 0.00 179.45 180.09 2kfj h GLU 71 N 0.65 0.00 0.00 3.15 5.08 -0.56 -1.33 114.58 121.58 2kfj h GLU 71 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2kfj h GLU 71 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2kfj h GLU 71 CO -0.20 0.14 0.00 1.98 -1.00 0.00 0.00 179.01 179.93 2kfj h MET 72 N 0.00 0.00 0.18 2.33 4.05 0.81 -3.20 114.93 119.10 2kfj h MET 72 Ca -0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2kfj h MET 72 Cb 0.44 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 2kfj h MET 72 CO 0.02 0.00 -0.09 -0.07 0.23 0.00 0.00 176.91 177.00 2kfj h LEU 73 N 0.00 -0.20 -2.59 3.39 3.38 -0.65 1.40 115.31 120.03 2kfj h LEU 73 Ca 0.00 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.77 2kfj h LEU 73 Cb 0.61 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2kfj h LEU 73 CO 0.00 0.10 0.12 0.00 0.09 0.00 0.00 178.44 178.75 2kfj h ALA 74 N 0.24 1.21 0.00 1.53 0.00 -1.66 0.37 119.26 120.96 2kfj h ALA 74 Ca -0.02 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 2kfj h ALA 74 Cb 0.39 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2kfj h ALA 74 CO 0.04 -0.13 -1.94 0.39 0.00 0.00 0.00 179.25 177.60 2kfj n GLU 75 N -3.13 0.66 0.03 0.00 -0.58 -0.80 -3.98 120.64 112.84 2kfj n GLU 75 Ca -0.02 0.04 0.13 0.00 -0.42 0.00 0.00 57.16 56.89 2kfj n GLU 75 Cb 0.19 -1.63 0.48 0.00 -0.57 0.00 0.00 31.44 29.91 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 -2.69 0.32 -3.01 1.62 3.02 0.47 -4.91 115.26 110.09 2kfj n ASN 76 Ca -0.18 0.38 -0.22 0.00 -0.03 0.00 0.00 54.58 54.53 2kfj n ASN 76 Cb 0.91 -0.41 0.04 0.00 -0.61 0.00 0.00 39.78 39.71 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 -1.73 -6.12 -4.53 6.41 3.02 0.95 -4.99 115.26 108.27 2kfj n ASN 77 Ca 0.06 -0.30 -0.24 0.00 -0.03 0.00 0.00 54.58 54.07 2kfj n ASN 77 Cb 0.37 -4.92 -0.09 0.00 -0.61 0.00 0.00 39.78 34.53 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 -5.73 1.87 -0.12 3.52 -1.05 -1.13 -5.03 118.70 111.03 2kfj s GLU 78 Ca 0.32 -1.72 0.17 0.00 -0.15 0.00 0.00 54.97 53.60 2kfj s GLU 78 Cb -0.14 -1.86 0.26 0.00 -0.44 0.00 0.00 34.13 31.95 2kfj s GLU 78 CO 0.40 0.29 1.14 1.63 0.95 0.00 0.00 175.26 179.66 2kfj n LYS 79 N -0.74 1.46 -3.81 -4.83 4.01 -1.26 -4.67 118.16 108.31 2kfj n LYS 79 Ca -0.05 -2.47 -0.09 0.00 -0.51 0.00 0.00 58.31 55.18 2kfj n LYS 79 Cb 0.60 -1.45 -0.04 0.00 -0.51 0.00 0.00 35.03 33.63 2kfj n LYS 79 CO 0.00 0.00 0.00 -0.59 -1.11 0.00 0.00 177.40 175.70 2kfj s PHE 80 N -2.69 0.01 0.29 2.13 -0.71 -1.26 -4.31 117.98 111.44 2kfj s PHE 80 Ca 0.29 -0.37 0.11 0.00 -1.04 0.00 0.00 56.93 55.92 2kfj s PHE 80 Cb 0.25 0.34 -0.05 0.00 -1.21 0.00 0.00 43.02 42.35 2kfj s PHE 80 CO 0.03 -0.93 -0.14 -1.17 -1.34 0.00 0.00 175.22 171.67 2kfj s LEU 81 N -2.91 2.74 -0.03 -1.99 1.98 0.11 -4.85 118.68 113.73 2kfj s LEU 81 Ca 0.12 -0.98 0.03 0.00 -2.89 0.00 0.00 54.13 50.42 2kfj s LEU 81 Cb -0.01 -1.22 -0.00 0.00 0.66 0.00 0.00 46.19 45.62 2kfj s LEU 81 CO 0.00 -0.01 -0.13 0.21 -1.89 0.00 0.00 176.35 174.53 2kfj s ASN 82 N -3.57 1.66 0.18 3.68 2.47 -1.26 -2.49 114.94 115.61 2kfj s ASN 82 Ca 0.31 -0.26 0.07 0.00 0.42 0.00 0.00 52.86 53.40 2kfj s ASN 82 Cb -0.04 -0.42 -0.04 0.00 -1.45 0.00 0.00 41.25 39.29 2kfj s ASN 82 CO 0.16 0.11 -0.15 -0.63 -3.72 0.00 0.00 177.10 172.88 2kfj s ILE 83 N 0.07 1.67 -0.03 -5.21 -1.09 0.19 -1.19 121.20 115.61 2kfj s ILE 83 Ca -0.02 -2.05 0.00 0.00 -2.23 0.00 0.00 60.65 56.34 2kfj s ILE 83 Cb -0.09 -1.90 0.03 0.00 -1.58 0.00 0.00 42.46 38.91 2kfj s ILE 83 CO 0.01 -0.51 0.02 -0.60 -1.23 0.00 0.00 174.94 172.63 2kfj s ARG 84 N -3.29 0.16 -0.05 2.79 3.52 0.28 -2.65 118.95 119.71 2kfj s ARG 84 Ca 0.18 0.14 0.03 0.00 -0.13 0.00 0.00 55.73 55.96 2kfj s ARG 84 Cb -0.02 -0.41 -0.03 0.00 -1.56 0.00 0.00 34.95 32.93 2kfj s ARG 84 CO 0.06 -0.17 -0.14 -1.17 -0.81 0.00 0.00 175.30 173.07 2kfj s LEU 85 N 1.14 2.76 0.00 -0.88 1.98 0.67 -2.54 118.68 121.82 2kfj s LEU 85 Ca -0.08 -0.19 0.07 0.00 -2.89 0.00 0.00 54.13 51.04 2kfj s LEU 85 Cb -0.13 -1.56 0.05 0.00 0.66 0.00 0.00 46.19 45.21 2kfj s LEU 85 CO -0.02 0.35 0.71 0.00 -1.89 0.00 0.00 176.35 175.49