#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 2.15 0.00 1.53 0.05 -1.26 -4.80 118.68 116.35 2kfj s LEU 2 Ca 0.00 -0.36 0.00 0.00 0.05 0.00 0.00 54.13 53.82 2kfj s LEU 2 Cb 0.00 -0.26 0.00 0.00 -2.05 0.00 0.00 46.19 43.88 2kfj s LEU 2 CO 0.00 -0.07 0.00 0.61 -0.55 0.00 0.00 176.35 176.34 2kfj n GLY 3 N 2.09 2.31 3.31 -3.48 0.00 -1.26 -5.07 105.19 103.09 2kfj n GLY 3 Ca -0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.73 1.24 0.02 1.61 1.04 -1.26 -3.90 113.70 110.71 2kfj s SER 4 Ca 0.00 -1.34 0.02 0.00 0.48 0.00 0.00 55.95 55.11 2kfj s SER 4 Cb 0.00 0.15 -0.01 0.00 0.10 0.00 0.00 66.02 66.25 2kfj s SER 4 CO 0.00 -0.69 -0.07 -0.63 0.98 0.00 0.00 173.24 172.82 2kfj s ILE 5 N -3.72 0.54 0.01 -1.02 1.01 -1.02 -4.90 121.20 112.10 2kfj s ILE 5 Ca 0.35 -0.60 -0.11 0.00 0.00 0.00 0.00 60.65 60.29 2kfj s ILE 5 Cb 0.07 -0.51 -0.05 0.00 0.01 0.00 0.00 42.46 41.98 2kfj s ILE 5 CO 0.12 -0.06 0.36 -0.22 0.00 0.00 0.00 174.94 175.14 2kfj s LEU 6 N -0.72 4.41 -0.50 2.97 2.96 -1.25 -2.28 118.68 124.27 2kfj s LEU 6 Ca -0.02 0.81 0.03 0.00 -0.22 0.00 0.00 54.13 54.72 2kfj s LEU 6 Cb -0.05 -2.67 0.13 0.00 0.50 0.00 0.00 46.19 44.09 2kfj s LEU 6 CO 0.00 0.27 0.25 -0.36 -1.32 0.00 0.00 176.35 175.19 2kfj s PHE 7 N -1.21 3.35 -0.24 5.38 0.40 -0.81 0.79 117.98 125.64 2kfj s PHE 7 Ca 0.26 -3.04 -0.29 0.00 -0.60 0.00 0.00 56.93 53.27 2kfj s PHE 7 Cb -0.15 -2.92 -0.06 0.00 0.51 0.00 0.00 43.02 40.41 2kfj s PHE 7 CO 0.14 -0.81 2.23 0.54 0.70 0.00 0.00 175.22 178.03 2kfj n ARG 8 N 3.45 1.86 -2.79 0.44 1.74 -0.74 -3.35 116.66 117.27 2kfj n ARG 8 Ca 0.05 0.50 -0.43 0.00 -0.77 0.00 0.00 57.85 57.20 2kfj n ARG 8 Cb 0.35 -3.18 -0.03 0.00 -1.02 0.00 0.00 32.46 28.58 2kfj n ARG 8 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2kfj s ILE 9 N 8.37 4.27 -0.31 0.55 -1.09 -1.17 0.37 121.20 132.18 2kfj s ILE 9 Ca 1.02 -0.53 -0.15 0.00 -2.23 0.00 0.00 60.65 58.76 2kfj s ILE 9 Cb -0.38 -4.78 -0.02 0.00 -1.58 0.00 0.00 42.46 35.70 2kfj s ILE 9 CO 0.36 -1.58 0.35 -0.44 -1.23 0.00 0.00 174.94 172.40 2kfj s SER 10 N 3.82 6.18 0.00 3.58 0.01 -0.82 -0.20 113.70 126.27 2kfj s SER 10 Ca 0.29 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.50 2kfj s SER 10 Cb -0.11 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 63.92 2kfj s SER 10 CO 0.05 -0.26 0.00 0.00 0.41 0.00 0.00 173.24 173.44 2kfj n TYR 11 N 5.34 -1.32 -0.16 2.43 9.36 0.23 -0.35 117.16 132.69 2kfj n TYR 11 Ca -0.09 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.01 2kfj n TYR 11 Cb 0.50 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 39.12 2kfj n TYR 11 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 2kfj h ASN 12 N 0.00 -1.67 0.00 2.98 -0.26 -1.76 -3.35 115.58 111.53 2kfj h ASN 12 Ca 0.00 0.22 0.00 0.00 -0.56 0.00 0.00 56.30 55.96 2kfj h ASN 12 Cb 0.00 0.69 0.00 0.00 -1.06 0.00 0.00 38.32 37.95 2kfj h ASN 12 CO 0.00 -0.33 -0.35 -1.20 -1.06 0.00 0.00 177.43 174.49 2kfj n SER 13 N -5.01 0.00 -3.99 5.81 7.64 -1.26 -5.08 113.62 111.72 2kfj n SER 13 Ca -0.02 -1.70 -0.23 0.00 1.01 0.00 0.00 58.87 57.93 2kfj n SER 13 Cb 0.29 -0.14 -0.16 0.00 -1.01 0.00 0.00 64.21 63.18 2kfj n SER 13 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2kfj s GLU 14 N 0.00 1.39 0.17 1.43 -1.05 -1.26 -5.14 118.70 114.24 2kfj s GLU 14 Ca 0.00 -0.33 0.06 0.00 -0.15 0.00 0.00 54.97 54.54 2kfj s GLU 14 Cb 0.00 -1.20 -0.04 0.00 -0.44 0.00 0.00 34.13 32.45 2kfj s GLU 14 CO 0.00 0.03 0.10 0.42 0.95 0.00 0.00 175.26 176.76 2kfj s ILE 15 N 0.62 4.27 0.00 1.83 -1.09 -1.26 -0.60 121.20 124.97 2kfj s ILE 15 Ca -0.12 -1.19 0.00 0.00 -2.23 0.00 0.00 60.65 57.12 2kfj s ILE 15 Cb -0.14 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 2kfj s ILE 15 CO 0.02 -0.12 0.00 0.49 -1.23 0.00 0.00 174.94 174.11 2kfj n PHE 16 N -0.31 -0.06 -3.69 3.97 3.72 0.72 -4.99 117.46 116.83 2kfj n PHE 16 Ca -0.09 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.20 2kfj n PHE 16 Cb 0.55 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.97 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 -1.98 -0.21 -0.06 4.37 -4.23 -1.26 -3.02 115.64 109.24 2kfj s THR 17 Ca 0.00 0.15 -0.00 0.00 -1.18 0.00 0.00 61.69 60.66 2kfj s THR 17 Cb 0.00 -0.54 0.02 0.00 1.34 0.00 0.00 72.50 73.32 2kfj s THR 17 CO 0.00 0.06 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.89 2kfj s LEU 18 N 1.77 0.99 -0.24 4.79 0.20 -1.21 -4.99 118.68 119.98 2kfj s LEU 18 Ca -0.06 -0.13 -0.23 0.00 0.69 0.00 0.00 54.13 54.40 2kfj s LEU 18 Cb -0.10 -0.50 -0.01 0.00 -0.43 0.00 0.00 46.19 45.15 2kfj s LEU 18 CO -0.11 -0.12 0.74 -0.22 -0.29 0.00 0.00 176.35 176.34 2kfj s LEU 19 N 1.48 4.08 -0.16 -0.68 1.98 -1.26 -1.92 118.68 122.19 2kfj s LEU 19 Ca -0.02 0.90 0.00 0.00 -2.89 0.00 0.00 54.13 52.12 2kfj s LEU 19 Cb -0.13 -3.04 0.03 0.00 0.66 0.00 0.00 46.19 43.71 2kfj s LEU 19 CO -0.03 -0.44 -0.12 0.54 -1.89 0.00 0.00 176.35 174.40 2kfj s VAL 20 N 2.64 1.52 1.06 1.68 0.11 -0.97 -5.02 120.40 121.43 2kfj s VAL 20 Ca 0.31 -0.71 -0.12 0.00 -2.93 0.00 0.00 61.98 58.53 2kfj s VAL 20 Cb -0.15 -1.50 0.22 0.00 -1.53 0.00 0.00 36.38 33.42 2kfj s VAL 20 CO 0.08 0.35 1.07 -1.61 -3.33 0.00 0.00 175.10 171.66 2kfj s GLU 21 N 1.49 -0.08 -0.01 1.54 0.41 -1.26 -2.44 118.70 118.34 2kfj s GLU 21 Ca 0.03 0.72 0.08 0.00 -0.41 0.00 0.00 54.97 55.39 2kfj s GLU 21 Cb -0.14 -1.66 0.26 0.00 -1.78 0.00 0.00 34.13 30.81 2kfj s GLU 21 CO -0.10 -3.13 1.17 1.63 -0.49 0.00 0.00 175.26 174.34 2kfj n LYS 22 N -4.48 1.78 -0.04 1.61 5.02 -1.25 -3.38 118.16 117.41 2kfj n LYS 22 Ca 0.05 -1.04 -0.05 0.00 -2.02 0.00 0.00 58.31 55.25 2kfj n LYS 22 Cb 0.56 -1.31 -0.07 0.00 -0.02 0.00 0.00 35.03 34.19 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 0.31 0.60 -1.58 -0.18 3.14 -1.26 -4.95 118.33 114.41 2kfj n VAL 23 Ca 0.10 -0.36 -0.45 0.00 -2.96 0.00 0.00 64.34 60.66 2kfj n VAL 23 Cb 0.29 -0.78 -0.04 0.00 -1.06 0.00 0.00 33.84 32.25 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 -2.36 1.96 -1.21 1.45 7.02 -1.22 -4.93 117.44 118.15 2kfj n TRP 24 Ca -0.15 -0.05 -0.28 0.00 -1.02 0.00 0.00 57.50 56.01 2kfj n TRP 24 Cb 0.78 -2.68 0.23 0.00 -2.42 0.00 0.00 31.31 27.21 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 10.47 -1.57 -0.34 -0.99 6.94 -1.26 -4.54 115.26 123.97 2kfj n ASN 25 Ca 0.31 -1.21 0.13 0.00 -0.02 0.00 0.00 54.58 53.79 2kfj n ASN 25 Cb 0.38 -0.96 0.34 0.00 -2.36 0.00 0.00 39.78 37.18 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 -2.46 1.00 0.68 -2.53 -0.00 -1.92 0.49 116.94 112.21 2kfj h PHE 26 Ca -0.39 0.03 -0.03 0.00 -0.00 0.00 0.00 57.97 57.57 2kfj h PHE 26 Cb 1.18 -0.31 0.01 0.00 -0.00 0.00 0.00 35.95 36.83 2kfj h PHE 26 CO 0.00 0.26 -0.33 0.22 -0.00 0.00 0.00 178.31 178.46 2kfj h ASP 27 N 0.75 -0.77 -0.54 -0.68 1.82 -1.95 0.16 116.42 115.21 2kfj h ASP 27 Ca 0.55 0.03 0.16 0.00 -0.39 0.00 0.00 57.03 57.37 2kfj h ASP 27 Cb 0.88 0.20 -0.02 0.00 0.68 0.00 0.00 39.33 41.07 2kfj h ASP 27 CO -0.33 -0.54 0.39 0.44 -1.61 0.00 0.00 179.24 177.59 2kfj h ASP 28 N -0.93 0.00 0.79 2.28 5.19 -1.72 -0.65 116.42 121.37 2kfj h ASP 28 Ca -0.09 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.28 2kfj h ASP 28 Cb 0.70 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.22 2kfj h ASP 28 CO 0.15 0.00 -0.38 0.25 -3.12 0.00 0.00 179.24 176.15 2kfj h LEU 29 N 0.00 -0.89 -0.53 1.55 5.85 0.51 0.20 115.31 122.00 2kfj h LEU 29 Ca 0.25 0.03 0.10 0.00 0.84 0.00 0.00 57.88 59.11 2kfj h LEU 29 Cb 1.03 0.23 -0.09 0.00 0.37 0.00 0.00 40.66 42.21 2kfj h LEU 29 CO -0.00 -0.60 0.02 0.40 -0.34 0.00 0.00 178.44 177.92 2kfj h ILE 30 N -1.13 0.60 0.00 4.05 1.08 -0.04 0.74 117.51 122.81 2kfj h ILE 30 Ca -0.11 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 2kfj h ILE 30 Cb 0.81 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 35.00 2kfj h ILE 30 CO 0.18 0.03 0.00 0.24 -0.69 0.00 0.00 178.15 177.90 2kfj h MET 31 N 0.14 0.00 0.31 2.37 2.86 -1.04 -0.25 114.93 119.32 2kfj h MET 31 Ca 0.27 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.90 2kfj h MET 31 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 2kfj h MET 31 CO -0.43 0.00 -0.15 0.00 1.06 0.00 0.00 176.91 177.39 2kfj h ALA 32 N 2.01 -0.64 -0.73 6.32 0.00 0.38 -2.39 119.26 124.21 2kfj h ALA 32 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2kfj h ALA 32 Cb 0.13 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2kfj h ALA 32 CO 0.00 -0.61 0.48 0.82 0.00 0.00 0.00 179.25 179.94 2kfj h ILE 33 N -0.70 1.13 0.00 0.00 5.03 -1.26 0.37 117.51 122.07 2kfj h ILE 33 Ca -0.04 -0.31 0.00 0.00 -0.12 0.00 0.00 64.86 64.38 2kfj h ILE 33 Cb 0.32 0.14 0.00 0.00 -3.03 0.00 0.00 36.82 34.25 2kfj h ILE 33 CO 0.07 0.17 0.00 0.59 -0.68 0.00 0.00 178.15 178.30 2kfj n ASN 34 N -4.45 0.60 0.12 1.72 5.03 -0.12 -0.93 115.26 117.23 2kfj n ASN 34 Ca 0.09 0.74 -0.23 0.00 0.87 0.00 0.00 54.58 56.05 2kfj n ASN 34 Cb 0.10 -0.83 -0.15 0.00 -1.02 0.00 0.00 39.78 37.87 2kfj n ASN 34 CO 0.00 0.00 0.00 -1.28 -1.83 0.00 0.00 177.26 174.15 2kfj h SER 35 N 0.00 0.73 -0.10 6.41 0.87 0.28 0.70 113.55 122.44 2kfj h SER 35 Ca 0.00 -0.86 -0.22 0.00 -1.23 0.00 0.00 61.79 59.49 2kfj h SER 35 Cb 0.10 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 61.83 2kfj h SER 35 CO 0.00 1.69 -0.78 0.11 -0.53 0.00 0.00 176.83 177.32 2kfj h LYS 36 N 0.13 0.70 -0.01 2.24 6.56 -0.99 -2.94 116.57 122.26 2kfj h LYS 36 Ca -0.27 -0.62 0.00 0.00 -1.06 0.00 0.00 60.65 58.70 2kfj h LYS 36 Cb 2.13 0.15 0.00 0.00 -0.57 0.00 0.00 32.23 33.94 2kfj h LYS 36 CO 0.24 1.23 -0.05 0.44 -2.06 0.00 0.00 179.45 179.25 2kfj n ILE 37 N -3.99 0.00 -0.67 1.86 -5.35 -0.11 -4.10 119.36 107.00 2kfj n ILE 37 Ca -0.09 -0.14 0.52 0.00 -0.27 0.00 0.00 62.75 62.77 2kfj n ILE 37 Cb 0.75 0.14 0.79 0.00 -1.74 0.00 0.00 39.64 39.58 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 1.32 0.00 -0.11 7.28 0.87 -0.66 1.35 113.55 123.61 2kfj h SER 38 Ca 0.00 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 2kfj h SER 38 Cb 0.36 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.28 2kfj h SER 38 CO 0.00 0.00 -0.10 -1.13 -0.53 0.00 0.00 176.83 175.07 2kfj h ASN 39 N 0.00 -0.31 -0.98 6.23 -1.24 -1.81 -2.95 115.58 114.52 2kfj h ASN 39 Ca 0.91 0.06 -0.74 0.00 0.71 0.00 0.00 56.30 57.24 2kfj h ASN 39 Cb 3.73 0.16 -0.11 0.00 0.73 0.00 0.00 38.32 42.82 2kfj h ASN 39 CO -0.01 -0.14 2.48 0.35 -1.29 0.00 0.00 177.43 178.82 2kfj n THR 40 N -5.24 4.46 1.72 -3.57 -2.24 0.46 -4.62 114.28 105.26 2kfj n THR 40 Ca -0.04 -4.00 0.14 0.00 -2.27 0.00 0.00 64.05 57.89 2kfj n THR 40 Cb 0.16 -2.34 0.82 0.00 -2.10 0.00 0.00 70.33 66.87 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 3.56 0.00 0.04 4.78 1.44 -1.12 -3.00 115.22 120.93 2kfj n HIS 41 Ca 0.52 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 56.19 2kfj n HIS 41 Cb 0.32 -0.02 0.19 0.00 0.12 0.00 0.00 29.99 30.60 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 0.00 1.29 -0.54 0.61 -2.65 -1.89 -3.41 117.51 110.92 2kfj h ILE 42 Ca 0.00 -1.43 -0.01 0.00 1.03 0.00 0.00 64.86 64.45 2kfj h ILE 42 Cb 0.02 1.52 -0.17 0.00 -2.05 0.00 0.00 36.82 36.15 2kfj h ILE 42 CO 0.00 0.44 -0.27 -0.44 0.03 0.00 0.00 178.15 177.91 2kfj s SER 43 N -6.85 -0.81 0.23 2.16 0.01 -1.16 -5.17 113.70 102.12 2kfj s SER 43 Ca -0.06 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.48 2kfj s SER 43 Cb 0.13 1.05 0.00 0.00 0.21 0.00 0.00 66.02 67.41 2kfj s SER 43 CO 0.79 -0.06 0.00 -0.81 0.41 0.00 0.00 173.24 173.58 2kfj n PRO 44 N 3.28 0.65 -4.74 12.44 -0.04 -1.21 -5.03 135.00 140.35 2kfj n PRO 44 Ca 0.12 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.25 2kfj n PRO 44 Cb 0.61 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.91 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 2.23 -0.79 0.52 -5.25 -1.26 -4.98 121.20 111.44 2kfj s ILE 45 Ca 0.00 -0.93 0.24 0.00 -0.99 0.00 0.00 60.65 58.98 2kfj s ILE 45 Cb 0.00 -1.90 0.01 0.00 2.95 0.00 0.00 42.46 43.52 2kfj s ILE 45 CO 0.00 0.54 1.32 0.35 -1.79 0.00 0.00 174.94 175.36 2kfj n THR 46 N 3.95 0.18 -3.70 8.37 -2.24 -1.26 -4.78 114.28 114.79 2kfj n THR 46 Ca -0.20 -0.15 -0.19 0.00 -2.27 0.00 0.00 64.05 61.24 2kfj n THR 46 Cb 0.52 0.08 -0.17 0.00 -2.10 0.00 0.00 70.33 68.65 2kfj n THR 46 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2kfj s LYS 47 N -3.10 -0.05 0.23 -0.78 -2.85 -1.26 -4.83 119.74 107.10 2kfj s LYS 47 Ca 0.08 0.32 -0.01 0.00 -1.00 0.00 0.00 55.97 55.36 2kfj s LYS 47 Cb 0.15 -0.46 -0.04 0.00 -2.06 0.00 0.00 37.83 35.42 2kfj s LYS 47 CO 0.72 -0.29 0.43 0.96 0.10 0.00 0.00 175.35 177.28 2kfj s ILE 48 N 1.89 5.16 -0.39 3.79 -4.36 -1.03 -4.87 121.20 121.39 2kfj s ILE 48 Ca 0.01 -0.30 -0.04 0.00 -0.26 0.00 0.00 60.65 60.06 2kfj s ILE 48 Cb -0.12 -3.74 0.09 0.00 1.25 0.00 0.00 42.46 39.93 2kfj s ILE 48 CO -0.03 -0.23 0.18 -0.54 0.24 0.00 0.00 174.94 174.56 2kfj s LYS 49 N -3.45 2.22 0.02 0.37 1.02 -1.17 0.93 119.74 119.68 2kfj s LYS 49 Ca 0.40 -1.64 -0.01 0.00 0.02 0.00 0.00 55.97 54.74 2kfj s LYS 49 Cb -0.11 -3.56 -0.04 0.00 -0.52 0.00 0.00 37.83 33.60 2kfj s LYS 49 CO 0.30 -0.97 0.15 1.52 -0.92 0.00 0.00 175.35 175.43 2kfj s TYR 50 N 1.23 3.42 0.74 3.18 1.13 0.31 0.63 117.35 127.99 2kfj s TYR 50 Ca 0.05 0.25 -0.11 0.00 -1.41 0.00 0.00 57.07 55.84 2kfj s TYR 50 Cb -0.22 -1.75 0.04 0.00 -1.10 0.00 0.00 41.96 38.92 2kfj s TYR 50 CO -0.02 0.59 1.09 -1.14 -2.51 0.00 0.00 175.55 173.55 2kfj s GLN 51 N -2.10 2.47 0.24 -3.49 0.74 0.87 -0.30 119.66 118.09 2kfj s GLN 51 Ca 0.28 1.17 0.01 0.00 0.05 0.00 0.00 55.36 56.87 2kfj s GLN 51 Cb -0.12 -1.92 -0.00 0.00 1.10 0.00 0.00 33.01 32.06 2kfj s GLN 51 CO 0.20 -1.48 0.02 -0.40 -0.55 0.00 0.00 175.29 173.08 2kfj n ASP 52 N -3.25 2.23 0.08 6.67 5.68 -0.39 -4.81 116.55 122.76 2kfj n ASP 52 Ca 0.09 -2.12 -0.02 0.00 -0.50 0.00 0.00 54.79 52.24 2kfj n ASP 52 Cb 0.53 0.28 0.24 0.00 -1.14 0.00 0.00 41.12 41.03 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 0.30 0.00 0.11 4.11 -1.90 -1.72 114.58 115.48 2kfj h GLU 53 Ca -0.20 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 59.11 2kfj h GLU 53 Cb 0.64 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2kfj h GLU 53 CO 0.33 0.61 0.00 0.22 0.07 0.00 0.00 179.01 180.23 2kfj h ASP 54 N 0.26 0.00 0.00 3.06 3.58 -2.01 -3.45 116.42 117.86 2kfj h ASP 54 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2kfj h ASP 54 Cb 0.73 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.78 2kfj h ASP 54 CO 0.06 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.03 2kfj n GLY 55 N -0.74 0.74 4.03 -0.78 0.00 -0.64 -5.05 105.19 102.74 2kfj n GLY 55 Ca -0.01 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 -2.32 4.84 -0.17 1.61 1.11 -1.26 -4.81 116.67 115.67 2kfj s ASP 56 Ca 0.00 -0.77 -0.07 0.00 0.18 0.00 0.00 52.55 51.89 2kfj s ASP 56 Cb 0.00 0.31 -0.04 0.00 1.07 0.00 0.00 42.92 44.26 2kfj s ASP 56 CO 0.00 -1.53 0.07 0.72 1.18 0.00 0.00 175.17 175.61 2kfj s PHE 57 N -2.82 3.29 0.08 4.23 -0.12 -1.26 -1.26 117.98 120.12 2kfj s PHE 57 Ca 0.64 0.14 0.06 0.00 -0.05 0.00 0.00 56.93 57.71 2kfj s PHE 57 Cb -0.05 -2.06 -0.03 0.00 -0.63 0.00 0.00 43.02 40.25 2kfj s PHE 57 CO 0.41 0.23 -0.15 0.14 -0.05 0.00 0.00 175.22 175.80 2kfj s VAL 58 N 0.20 1.22 0.58 -2.49 -7.23 0.59 -4.95 120.40 108.32 2kfj s VAL 58 Ca 0.05 -1.39 -0.14 0.00 -1.81 0.00 0.00 61.98 58.69 2kfj s VAL 58 Cb -0.12 -1.20 -0.05 0.00 0.56 0.00 0.00 36.38 35.57 2kfj s VAL 58 CO 0.00 -0.23 1.02 0.54 -0.31 0.00 0.00 175.10 176.13 2kfj s VAL 59 N -1.37 4.39 -0.19 1.32 0.11 -1.26 0.12 120.40 123.52 2kfj s VAL 59 Ca 0.01 0.98 -0.04 0.00 -2.93 0.00 0.00 61.98 60.00 2kfj s VAL 59 Cb -0.09 -3.66 0.09 0.00 -1.53 0.00 0.00 36.38 31.19 2kfj s VAL 59 CO 0.03 -0.81 0.30 -0.22 -3.33 0.00 0.00 175.10 171.06 2kfj s LEU 60 N -4.67 -0.39 0.00 2.54 2.96 0.27 -4.75 118.68 114.65 2kfj s LEU 60 Ca 0.58 0.35 0.05 0.00 -0.22 0.00 0.00 54.13 54.90 2kfj s LEU 60 Cb -0.12 0.82 0.09 0.00 0.50 0.00 0.00 46.19 47.48 2kfj s LEU 60 CO 0.42 -0.28 0.93 0.61 -1.32 0.00 0.00 176.35 176.71 2kfj n GLY 61 N 5.35 0.71 3.38 7.98 0.00 -1.26 -2.46 105.19 118.89 2kfj n GLY 61 Ca -0.06 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.99 -0.42 0.52 1.61 0.01 -1.26 -5.01 113.70 108.17 2kfj s SER 62 Ca 0.07 -0.02 0.35 0.00 1.31 0.00 0.00 55.95 57.66 2kfj s SER 62 Cb 0.08 0.52 1.78 0.00 0.21 0.00 0.00 66.02 68.61 2kfj s SER 62 CO -0.03 -0.84 2.06 -0.78 0.41 0.00 0.00 173.24 174.06 2kfj h ASP 63 N 2.40 0.00 1.67 2.44 1.82 -1.96 0.26 116.42 123.05 2kfj h ASP 63 Ca -0.33 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.31 2kfj h ASP 63 Cb 1.26 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.27 2kfj h ASP 63 CO 0.42 0.00 0.00 -0.08 -1.61 0.00 0.00 179.24 177.97 2kfj h GLU 64 N 0.00 0.00 0.00 0.28 4.81 -1.98 0.14 114.58 117.83 2kfj h GLU 64 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kfj h GLU 64 Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2kfj h GLU 64 CO 0.00 0.00 -1.20 -0.25 -0.73 0.00 0.00 179.01 176.83 2kfj n ASP 65 N -2.67 1.42 0.03 1.04 8.00 0.62 -3.03 116.55 121.96 2kfj n ASP 65 Ca 0.05 -0.33 0.03 0.00 0.71 0.00 0.00 54.79 55.25 2kfj n ASP 65 Cb 0.46 1.36 -0.08 0.00 -0.02 0.00 0.00 41.12 42.84 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 -1.69 0.76 -0.11 1.24 -0.00 0.39 -3.08 117.44 114.95 2kfj n TRP 66 Ca -0.00 0.24 -0.23 0.00 -0.00 0.00 0.00 57.50 57.51 2kfj n TRP 66 Cb 0.29 -0.98 -0.10 0.00 -0.00 0.00 0.00 31.31 30.52 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 -2.75 1.89 0.25 5.87 5.15 0.03 -3.00 115.26 122.70 2kfj n ASN 67 Ca -0.09 0.41 0.14 0.00 -0.60 0.00 0.00 54.58 54.43 2kfj n ASN 67 Cb 0.77 -0.91 0.81 0.00 -0.53 0.00 0.00 39.78 39.92 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 -1.00 0.66 0.01 3.44 2.07 -1.71 0.81 116.25 120.53 2kfj h VAL 68 Ca -0.43 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 2kfj h VAL 68 Cb 1.34 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2kfj h VAL 68 CO -0.26 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 177.20 2kfj h ALA 69 N 1.94 0.01 -0.63 1.67 0.00 -1.70 -3.18 119.26 117.37 2kfj h ALA 69 Ca 0.03 -0.45 0.07 0.00 0.00 0.00 0.00 54.91 54.56 2kfj h ALA 69 Cb 0.15 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 2kfj h ALA 69 CO -0.00 0.01 0.31 0.87 0.00 0.00 0.00 179.25 180.44 2kfj h LYS 70 N -0.71 0.55 0.00 0.00 1.57 -1.20 0.44 116.57 117.23 2kfj h LYS 70 Ca -0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2kfj h LYS 70 Cb 0.95 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2kfj h LYS 70 CO 0.02 0.36 0.05 0.93 -0.57 0.00 0.00 179.45 180.24 2kfj h GLU 71 N 0.56 0.00 0.00 3.15 4.39 -0.95 0.37 114.58 122.11 2kfj h GLU 71 Ca 0.30 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.94 2kfj h GLU 71 Cb 0.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2kfj h GLU 71 CO -0.22 0.00 -0.80 1.98 -1.16 0.00 0.00 179.01 178.81 2kfj h MET 72 N 0.00 0.00 0.79 2.33 4.05 -0.09 -3.29 114.93 118.71 2kfj h MET 72 Ca 0.00 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 2kfj h MET 72 Cb 0.09 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 30.90 2kfj h MET 72 CO 0.00 0.16 -0.38 -0.07 0.23 0.00 0.00 176.91 176.85 2kfj h LEU 73 N 0.00 -0.89 -2.00 3.39 -0.00 0.02 1.38 115.31 117.20 2kfj h LEU 73 Ca -0.04 0.03 0.15 0.00 -0.00 0.00 0.00 57.88 58.02 2kfj h LEU 73 Cb 1.21 0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 42.08 2kfj h LEU 73 CO 0.02 -0.57 0.45 0.00 -0.00 0.00 0.00 178.44 178.35 2kfj h ALA 74 N -1.38 2.35 0.00 1.53 0.00 -1.71 1.01 119.26 121.06 2kfj h ALA 74 Ca -0.11 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 2kfj h ALA 74 Cb 0.81 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2kfj h ALA 74 CO 0.18 -0.72 -0.98 0.93 0.00 0.00 0.00 179.25 178.65 2kfj h GLU 75 N 0.00 0.00 0.00 0.00 4.39 -1.50 -3.22 114.58 114.25 2kfj h GLU 75 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 2kfj h GLU 75 Cb 1.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2kfj h GLU 75 CO -0.00 0.38 -0.36 0.09 -1.16 0.00 0.00 179.01 177.96 2kfj n ASN 76 N -3.04 0.51 -2.81 1.42 3.02 0.47 -4.92 115.26 109.91 2kfj n ASN 76 Ca -0.04 0.16 -0.21 0.00 -0.03 0.00 0.00 54.58 54.46 2kfj n ASN 76 Cb 0.78 -0.10 0.03 0.00 -0.61 0.00 0.00 39.78 39.88 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 -1.82 -5.92 -4.62 6.41 3.02 0.16 -4.99 115.26 107.51 2kfj n ASN 77 Ca 0.05 -0.25 -0.25 0.00 -0.03 0.00 0.00 54.58 54.11 2kfj n ASN 77 Cb 0.38 -4.76 -0.09 0.00 -0.61 0.00 0.00 39.78 34.70 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 -5.57 2.03 -0.08 3.52 -1.05 -1.14 -5.04 118.70 111.37 2kfj s GLU 78 Ca 0.26 -1.80 0.12 0.00 -0.15 0.00 0.00 54.97 53.39 2kfj s GLU 78 Cb -0.11 -1.88 0.18 0.00 -0.44 0.00 0.00 34.13 31.88 2kfj s GLU 78 CO 0.32 0.12 1.08 1.63 0.95 0.00 0.00 175.26 179.36 2kfj n LYS 79 N -0.93 1.76 -2.95 -4.83 5.02 -1.26 -4.64 118.16 110.32 2kfj n LYS 79 Ca -0.04 -2.14 -0.09 0.00 -2.02 0.00 0.00 58.31 54.02 2kfj n LYS 79 Cb 0.63 -1.28 -0.03 0.00 -0.02 0.00 0.00 35.03 34.33 2kfj n LYS 79 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 2kfj n PHE 80 N -1.06 -0.69 -4.07 2.13 -1.74 -1.26 -3.83 117.46 106.94 2kfj n PHE 80 Ca 0.10 -1.30 -0.10 0.00 -0.56 0.00 0.00 57.45 55.59 2kfj n PHE 80 Cb 0.52 0.22 -0.08 0.00 1.52 0.00 0.00 39.48 41.65 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 1.22 -0.21 5.98 0.20 0.24 -4.84 118.68 121.26 2kfj s LEU 81 Ca 0.17 -1.09 0.01 0.00 0.69 0.00 0.00 54.13 53.92 2kfj s LEU 81 Cb 0.00 0.79 0.05 0.00 -0.43 0.00 0.00 46.19 46.60 2kfj s LEU 81 CO 0.12 -0.85 -0.11 0.21 -0.29 0.00 0.00 176.35 175.44 2kfj s ASN 82 N -3.03 3.65 0.22 3.68 2.47 -1.26 -1.79 114.94 118.87 2kfj s ASN 82 Ca 0.24 -1.01 0.05 0.00 0.42 0.00 0.00 52.86 52.57 2kfj s ASN 82 Cb 0.05 -1.32 -0.03 0.00 -1.45 0.00 0.00 41.25 38.50 2kfj s ASN 82 CO 0.04 -0.15 0.26 -0.63 -3.72 0.00 0.00 177.10 172.89 2kfj s ILE 83 N 1.32 4.85 -0.06 -5.21 -1.09 0.16 -0.09 121.20 121.08 2kfj s ILE 83 Ca -0.03 -1.12 0.01 0.00 -2.23 0.00 0.00 60.65 57.28 2kfj s ILE 83 Cb -0.17 -3.59 0.02 0.00 -1.58 0.00 0.00 42.46 37.14 2kfj s ILE 83 CO -0.08 -0.27 -0.05 -0.60 -1.23 0.00 0.00 174.94 172.71 2kfj s ARG 84 N -3.70 0.99 -0.24 2.79 6.06 0.21 -1.95 118.95 123.10 2kfj s ARG 84 Ca 0.33 -0.13 0.02 0.00 -2.50 0.00 0.00 55.73 53.45 2kfj s ARG 84 Cb -0.09 -1.01 0.06 0.00 0.06 0.00 0.00 34.95 33.96 2kfj s ARG 84 CO 0.27 -0.12 -0.08 -0.51 -2.50 0.00 0.00 175.30 172.36 2kfj s LEU 85 N 1.12 2.85 0.00 -0.88 1.02 0.53 -3.05 118.68 120.28 2kfj s LEU 85 Ca -0.07 -1.22 0.00 0.00 0.02 0.00 0.00 54.13 52.86 2kfj s LEU 85 Cb -0.14 -1.32 0.00 0.00 0.02 0.00 0.00 46.19 44.74 2kfj s LEU 85 CO -0.01 -0.21 0.00 -1.22 0.02 0.00 0.00 176.35 174.93