#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 2.06 0.00 1.53 0.05 -1.26 -4.77 118.68 116.29 2kfj s LEU 2 Ca 0.00 -0.28 0.00 0.00 0.05 0.00 0.00 54.13 53.90 2kfj s LEU 2 Cb 0.00 -0.62 0.00 0.00 -2.05 0.00 0.00 46.19 43.52 2kfj s LEU 2 CO 0.00 0.12 0.00 0.61 -0.55 0.00 0.00 176.35 176.53 2kfj n GLY 3 N 2.56 1.20 2.81 -3.48 0.00 -1.26 -5.10 105.19 101.92 2kfj n GLY 3 Ca -0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 2kfj n GLY 3 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kfj n SER 4 N 0.00 -0.42 -4.16 1.61 3.41 -1.26 -4.37 113.62 108.43 2kfj n SER 4 Ca 0.00 -2.91 -0.15 0.00 -0.26 0.00 0.00 58.87 55.54 2kfj n SER 4 Cb 0.00 1.40 -0.11 0.00 -0.26 0.00 0.00 64.21 65.24 2kfj n SER 4 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2kfj s ILE 5 N -3.15 0.94 0.10 -1.33 1.01 0.51 -4.94 121.20 114.33 2kfj s ILE 5 Ca 0.33 -1.45 0.09 0.00 0.00 0.00 0.00 60.65 59.62 2kfj s ILE 5 Cb 0.02 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 2kfj s ILE 5 CO 0.23 -0.43 -0.23 -0.22 0.00 0.00 0.00 174.94 174.29 2kfj s LEU 6 N -2.10 2.28 -0.05 2.97 1.98 -0.54 0.46 118.68 123.67 2kfj s LEU 6 Ca 0.01 -0.68 0.02 0.00 -2.89 0.00 0.00 54.13 50.59 2kfj s LEU 6 Cb -0.06 -1.05 0.01 0.00 0.66 0.00 0.00 46.19 45.76 2kfj s LEU 6 CO 0.01 0.13 -0.08 -0.36 -1.89 0.00 0.00 176.35 174.16 2kfj s PHE 7 N -1.04 1.06 -1.17 5.38 0.08 -1.02 -0.90 117.98 120.37 2kfj s PHE 7 Ca 0.10 -0.34 -0.07 0.00 0.12 0.00 0.00 56.93 56.73 2kfj s PHE 7 Cb -0.10 -0.82 0.24 0.00 -0.57 0.00 0.00 43.02 41.77 2kfj s PHE 7 CO 0.04 -0.20 1.60 0.54 -0.10 0.00 0.00 175.22 177.10 2kfj n ARG 8 N 3.78 3.97 -1.69 0.44 1.74 -0.62 -1.05 116.66 123.24 2kfj n ARG 8 Ca -0.23 -4.09 -0.42 0.00 -0.77 0.00 0.00 57.85 52.34 2kfj n ARG 8 Cb 0.52 -2.72 -0.03 0.00 -1.02 0.00 0.00 32.46 29.21 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 -1.06 2.60 -0.16 0.55 1.09 -0.32 -2.96 121.20 120.93 2kfj s ILE 9 Ca 0.35 0.00 -0.09 0.00 -1.10 0.00 0.00 60.65 59.81 2kfj s ILE 9 Cb 0.05 -3.00 -0.05 0.00 -1.06 0.00 0.00 42.46 38.40 2kfj s ILE 9 CO 0.04 -0.00 0.15 -0.94 -0.10 0.00 0.00 174.94 174.09 2kfj s SER 10 N 3.15 6.31 -0.28 3.58 1.04 0.12 -0.31 113.70 127.30 2kfj s SER 10 Ca 0.83 0.36 -0.17 0.00 0.48 0.00 0.00 55.95 57.46 2kfj s SER 10 Cb -0.46 -2.09 0.08 0.00 0.10 0.00 0.00 66.02 63.65 2kfj s SER 10 CO 0.38 0.28 0.70 -0.47 0.98 0.00 0.00 173.24 175.11 2kfj s TYR 11 N -0.26 -1.03 -0.33 5.02 5.04 -0.99 0.19 117.35 125.00 2kfj s TYR 11 Ca 0.12 2.09 0.00 0.00 -2.44 0.00 0.00 57.07 56.84 2kfj s TYR 11 Cb -0.12 0.60 0.00 0.00 0.35 0.00 0.00 41.96 42.79 2kfj s TYR 11 CO 0.01 -0.51 0.00 0.09 -1.34 0.00 0.00 175.55 173.80 2kfj n ASN 12 N 4.14 -5.27 0.00 4.32 4.13 -1.26 -0.08 115.26 121.25 2kfj n ASN 12 Ca -0.19 0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.14 2kfj n ASN 12 Cb 0.59 -3.04 0.00 0.00 -1.54 0.00 0.00 39.78 35.79 2kfj n ASN 12 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2kfj n SER 13 N -0.75 -1.26 -4.78 6.41 2.88 -1.26 -5.07 113.62 109.79 2kfj n SER 13 Ca -0.03 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.31 2kfj n SER 13 Cb 0.42 -0.21 0.05 0.00 -0.75 0.00 0.00 64.21 63.71 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 -2.42 0.65 -3.65 -1.46 -0.58 0.89 -5.12 120.64 108.95 2kfj n GLU 14 Ca 0.00 -3.07 -0.20 0.00 -0.42 0.00 0.00 57.16 53.47 2kfj n GLU 14 Cb 0.00 -0.07 -0.17 0.00 -0.57 0.00 0.00 31.44 30.63 2kfj n GLU 14 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2kfj s ILE 15 N -2.49 -0.16 -0.17 -3.67 1.09 -1.26 -2.33 121.20 112.21 2kfj s ILE 15 Ca 0.50 0.25 0.00 0.00 -1.10 0.00 0.00 60.65 60.31 2kfj s ILE 15 Cb -0.04 -0.31 0.01 0.00 -1.06 0.00 0.00 42.46 41.06 2kfj s ILE 15 CO 0.32 0.05 -0.16 -0.36 -0.10 0.00 0.00 174.94 174.69 2kfj s PHE 16 N 2.20 2.80 -0.03 3.97 0.08 0.58 -4.93 117.98 122.64 2kfj s PHE 16 Ca 0.04 -1.26 -0.29 0.00 0.12 0.00 0.00 56.93 55.54 2kfj s PHE 16 Cb -0.13 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.36 2kfj s PHE 16 CO -0.06 -0.61 0.94 0.95 -0.10 0.00 0.00 175.22 176.34 2kfj s THR 17 N 1.08 4.88 -0.31 0.64 -4.23 -1.25 -1.18 115.64 115.27 2kfj s THR 17 Ca -0.00 1.96 0.02 0.00 -1.18 0.00 0.00 61.69 62.49 2kfj s THR 17 Cb -0.14 -4.28 0.09 0.00 1.34 0.00 0.00 72.50 69.51 2kfj s THR 17 CO -0.05 0.15 0.05 -0.22 -0.54 0.00 0.00 174.62 174.00 2kfj s LEU 18 N 1.14 3.56 -0.48 4.79 1.98 -0.22 -4.92 118.68 124.54 2kfj s LEU 18 Ca 0.49 -1.82 -0.28 0.00 -2.89 0.00 0.00 54.13 49.64 2kfj s LEU 18 Cb -0.20 -1.31 -0.01 0.00 0.66 0.00 0.00 46.19 45.34 2kfj s LEU 18 CO 0.25 -0.36 1.67 -0.22 -1.89 0.00 0.00 176.35 175.79 2kfj s LEU 19 N 1.22 3.43 0.04 -0.68 1.98 -1.26 -2.42 118.68 120.98 2kfj s LEU 19 Ca 0.08 0.70 0.02 0.00 -2.89 0.00 0.00 54.13 52.04 2kfj s LEU 19 Cb -0.18 -3.11 -0.04 0.00 0.66 0.00 0.00 46.19 43.51 2kfj s LEU 19 CO -0.13 -1.87 0.05 0.54 -1.89 0.00 0.00 176.35 173.04 2kfj s VAL 20 N 7.13 4.39 0.57 1.68 0.11 0.17 -4.95 120.40 129.50 2kfj s VAL 20 Ca 0.67 -0.69 -0.05 0.00 -2.93 0.00 0.00 61.98 58.98 2kfj s VAL 20 Cb -0.15 -3.05 0.00 0.00 -1.53 0.00 0.00 36.38 31.65 2kfj s VAL 20 CO 0.28 0.24 0.87 -1.61 -3.33 0.00 0.00 175.10 171.55 2kfj s GLU 21 N -2.02 2.98 -0.11 1.54 0.41 -1.26 -0.37 118.70 119.87 2kfj s GLU 21 Ca 0.25 -0.04 0.09 0.00 -0.41 0.00 0.00 54.97 54.86 2kfj s GLU 21 Cb -0.12 -2.31 0.44 0.00 -1.78 0.00 0.00 34.13 30.37 2kfj s GLU 21 CO 0.17 -0.63 1.21 1.63 -0.49 0.00 0.00 175.26 177.15 2kfj n LYS 22 N -2.51 2.96 0.00 1.61 5.02 -1.26 -3.27 118.16 120.71 2kfj n LYS 22 Ca 0.04 -1.70 0.00 0.00 -2.02 0.00 0.00 58.31 54.63 2kfj n LYS 22 Cb 0.57 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 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 0.41 0.23 -3.24 -0.18 3.14 -1.26 -5.02 118.33 112.41 2kfj n VAL 23 Ca 0.15 -0.47 -0.38 0.00 -2.96 0.00 0.00 64.34 60.68 2kfj n VAL 23 Cb 0.70 1.08 -0.06 0.00 -1.06 0.00 0.00 33.84 34.51 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 -0.23 3.58 0.53 1.45 0.52 -1.20 -5.07 118.94 118.51 2kfj s TRP 24 Ca 0.00 1.05 -0.08 0.00 0.02 0.00 0.00 56.10 57.08 2kfj s TRP 24 Cb 0.00 -2.61 0.12 0.00 -1.15 0.00 0.00 33.47 29.83 2kfj s TRP 24 CO 0.00 0.22 0.72 0.27 0.02 0.00 0.00 176.95 178.18 2kfj n ASN 25 N 3.38 0.13 -0.32 2.95 6.94 -1.26 -4.73 115.26 122.35 2kfj n ASN 25 Ca -0.06 -1.31 -0.04 0.00 -0.02 0.00 0.00 54.58 53.15 2kfj n ASN 25 Cb 0.51 -0.55 0.09 0.00 -2.36 0.00 0.00 39.78 37.48 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 -1.33 1.22 -0.34 -2.53 -5.15 -1.93 0.35 116.94 107.23 2kfj h PHE 26 Ca -0.23 -0.04 -0.01 0.00 -0.20 0.00 0.00 57.97 57.49 2kfj h PHE 26 Cb 0.66 -0.39 -0.02 0.00 0.22 0.00 0.00 35.95 36.43 2kfj h PHE 26 CO 0.00 0.86 0.17 0.22 -2.00 0.00 0.00 178.31 177.55 2kfj h ASP 27 N 1.24 0.45 -0.22 -0.68 1.82 -1.93 -0.07 116.42 117.03 2kfj h ASP 27 Ca 0.31 -0.12 -0.09 0.00 -0.39 0.00 0.00 57.03 56.73 2kfj h ASP 27 Cb 0.05 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 39.93 2kfj h ASP 27 CO -0.05 0.45 -0.16 0.44 -1.61 0.00 0.00 179.24 178.31 2kfj h ASP 28 N 0.42 0.63 0.58 2.28 3.45 -1.80 -0.85 116.42 121.14 2kfj h ASP 28 Ca 0.12 -0.19 -0.02 0.00 0.43 0.00 0.00 57.03 57.36 2kfj h ASP 28 Cb 0.12 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 38.71 2kfj h ASP 28 CO -0.02 0.81 -0.33 0.25 -1.57 0.00 0.00 179.24 178.39 2kfj h LEU 29 N 0.57 -0.80 -0.26 1.55 5.85 0.26 0.55 115.31 123.03 2kfj h LEU 29 Ca 0.09 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.90 2kfj h LEU 29 Cb 0.61 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 2kfj h LEU 29 CO 0.04 -0.53 0.00 0.40 -0.34 0.00 0.00 178.44 178.02 2kfj h ILE 30 N -0.85 0.82 0.00 4.05 1.08 -0.92 0.88 117.51 122.57 2kfj h ILE 30 Ca -0.07 -0.03 -0.00 0.00 -0.39 0.00 0.00 64.86 64.36 2kfj h ILE 30 Cb 0.68 0.73 -0.00 0.00 -3.07 0.00 0.00 36.82 35.15 2kfj h ILE 30 CO 0.10 0.02 -0.02 0.24 -0.69 0.00 0.00 178.15 177.79 2kfj h MET 31 N 0.08 0.00 -0.04 2.37 2.86 -0.90 0.12 114.93 119.42 2kfj h MET 31 Ca 0.12 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2kfj h MET 31 Cb 0.16 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 2kfj h MET 31 CO -0.20 0.02 -0.01 0.00 1.06 0.00 0.00 176.91 177.78 2kfj h ALA 32 N 1.98 0.06 -0.37 6.32 0.00 0.26 -1.00 119.26 126.52 2kfj h ALA 32 Ca -0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 2kfj h ALA 32 Cb 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2kfj h ALA 32 CO 0.00 -0.25 -0.36 0.82 0.00 0.00 0.00 179.25 179.46 2kfj h ILE 33 N -0.25 1.28 0.00 0.00 5.03 -0.77 -2.08 117.51 120.72 2kfj h ILE 33 Ca 0.01 -1.54 0.00 0.00 -0.12 0.00 0.00 64.86 63.22 2kfj h ILE 33 Cb 0.37 1.42 0.00 0.00 -3.03 0.00 0.00 36.82 35.58 2kfj h ILE 33 CO 0.00 0.51 0.00 0.78 -0.68 0.00 0.00 178.15 178.76 2kfj h ASN 34 N 0.70 0.00 0.15 1.72 -0.26 -0.74 0.15 115.58 117.29 2kfj h ASN 34 Ca 0.06 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.48 2kfj h ASN 34 Cb 0.95 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.21 2kfj h ASN 34 CO 0.09 0.00 -1.63 -1.28 -1.06 0.00 0.00 177.43 173.55 2kfj h SER 35 N 0.00 0.48 -0.27 5.81 0.87 -0.52 -0.87 113.55 119.06 2kfj h SER 35 Ca 0.00 -0.90 -0.14 0.00 -1.23 0.00 0.00 61.79 59.52 2kfj h SER 35 Cb 0.11 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2kfj h SER 35 CO 0.00 1.72 -0.36 0.11 -0.53 0.00 0.00 176.83 177.77 2kfj h LYS 36 N -0.10 0.81 -0.01 2.24 6.56 -0.73 -2.47 116.57 122.87 2kfj h LYS 36 Ca -0.34 -0.40 0.00 0.00 -1.06 0.00 0.00 60.65 58.85 2kfj h LYS 36 Cb 1.93 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.59 2kfj h LYS 36 CO 0.11 1.04 -0.25 0.44 -2.06 0.00 0.00 179.45 178.73 2kfj n ILE 37 N -4.06 0.00 -0.70 1.86 -5.35 0.42 -4.13 119.36 107.40 2kfj n ILE 37 Ca -0.02 -0.10 0.52 0.00 -0.27 0.00 0.00 62.75 62.89 2kfj n ILE 37 Cb 0.52 0.28 0.81 0.00 -1.74 0.00 0.00 39.64 39.50 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 -0.80 0.00 -0.32 7.28 2.88 -0.33 0.50 113.62 122.83 2kfj n SER 38 Ca 0.12 0.97 0.03 0.00 -1.33 0.00 0.00 58.87 58.66 2kfj n SER 38 Cb 0.33 -0.49 0.11 0.00 -0.75 0.00 0.00 64.21 63.41 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 -0.92 -2.79 -3.46 -1.24 -1.78 -3.35 115.58 102.04 2kfj h ASN 39 Ca 0.92 0.27 -0.56 0.00 0.71 0.00 0.00 56.30 57.65 2kfj h ASN 39 Cb 3.71 0.58 -0.03 0.00 0.73 0.00 0.00 38.32 43.32 2kfj h ASN 39 CO -0.01 -0.30 1.04 0.42 -1.29 0.00 0.00 177.43 177.29 2kfj s THR 40 N -6.21 3.86 -0.45 -3.57 -4.23 0.18 -4.88 115.64 100.34 2kfj s THR 40 Ca -0.15 1.01 0.04 0.00 -1.18 0.00 0.00 61.69 61.41 2kfj s THR 40 Cb 0.24 -3.75 0.48 0.00 1.34 0.00 0.00 72.50 70.81 2kfj s THR 40 CO 0.76 -0.19 1.63 1.41 -0.54 0.00 0.00 174.62 177.68 2kfj n HIS 41 N 7.47 2.66 -0.05 3.99 8.25 -1.26 -4.41 115.22 131.86 2kfj n HIS 41 Ca 0.17 -2.41 -0.07 0.00 -0.26 0.00 0.00 57.72 55.15 2kfj n HIS 41 Cb 0.44 -0.86 -0.05 0.00 1.12 0.00 0.00 29.99 30.65 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 -0.90 0.60 0.00 1.59 -6.64 -1.26 -5.06 119.36 107.69 2kfj n ILE 42 Ca 0.51 -0.25 0.00 0.00 -1.77 0.00 0.00 62.75 61.24 2kfj n ILE 42 Cb 0.91 -0.86 0.00 0.00 -1.44 0.00 0.00 39.64 38.25 2kfj n ILE 42 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 2kfj n SER 43 N -2.72 0.00 -3.03 7.28 2.88 -1.26 -5.18 113.62 111.58 2kfj n SER 43 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 2kfj n SER 43 Cb 0.71 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 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 0.67 -3.97 -1.46 -0.04 -1.26 -5.04 135.00 123.90 2kfj n PRO 44 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 2kfj n PRO 44 Cb 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.29 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 0.44 -0.61 0.52 -5.25 -1.26 -5.03 121.20 109.79 2kfj s ILE 45 Ca 0.00 -0.00 0.00 0.00 -0.99 0.00 0.00 60.65 59.66 2kfj s ILE 45 Cb 0.00 -0.53 0.44 0.00 2.95 0.00 0.00 42.46 45.32 2kfj s ILE 45 CO 0.00 0.23 1.83 0.35 -1.79 0.00 0.00 174.94 175.57 2kfj n THR 46 N 4.52 3.36 -3.15 8.37 -2.24 -1.26 -4.79 114.28 119.10 2kfj n THR 46 Ca -0.18 -3.47 0.05 0.00 -2.27 0.00 0.00 64.05 58.19 2kfj n THR 46 Cb 0.50 -1.17 -0.02 0.00 -2.10 0.00 0.00 70.33 67.54 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 -3.81 0.16 -0.16 -0.78 -2.85 -1.26 -4.83 119.74 106.20 2kfj s LYS 47 Ca 0.60 0.28 -0.05 0.00 -1.00 0.00 0.00 55.97 55.80 2kfj s LYS 47 Cb 0.48 0.15 -0.03 0.00 -2.06 0.00 0.00 37.83 36.37 2kfj s LYS 47 CO -0.07 -0.17 0.00 0.96 0.10 0.00 0.00 175.35 176.17 2kfj s ILE 48 N 2.95 4.25 -0.39 3.79 -4.36 -0.15 -4.88 121.20 122.41 2kfj s ILE 48 Ca -0.03 -0.23 -0.25 0.00 -0.26 0.00 0.00 60.65 59.88 2kfj s ILE 48 Cb -0.10 -2.88 0.02 0.00 1.25 0.00 0.00 42.46 40.75 2kfj s ILE 48 CO -0.10 0.49 0.90 -0.54 0.24 0.00 0.00 174.94 175.92 2kfj s LYS 49 N 0.26 3.74 0.04 0.37 1.02 -1.15 0.12 119.74 124.14 2kfj s LYS 49 Ca -0.00 0.41 0.02 0.00 0.02 0.00 0.00 55.97 56.42 2kfj s LYS 49 Cb -0.13 -3.84 -0.04 0.00 -0.52 0.00 0.00 37.83 33.30 2kfj s LYS 49 CO 0.02 -1.00 0.02 1.52 -0.92 0.00 0.00 175.35 174.99 2kfj s TYR 50 N 3.47 3.09 0.57 3.18 1.13 0.35 0.18 117.35 129.33 2kfj s TYR 50 Ca 0.36 0.06 -0.18 0.00 -1.41 0.00 0.00 57.07 55.91 2kfj s TYR 50 Cb -0.12 -1.63 -0.05 0.00 -1.10 0.00 0.00 41.96 39.07 2kfj s TYR 50 CO 0.20 0.49 1.09 -1.14 -2.51 0.00 0.00 175.55 173.68 2kfj s GLN 51 N -1.94 3.33 0.53 -3.49 0.74 -0.78 -0.41 119.66 117.64 2kfj s GLN 51 Ca 0.23 1.41 0.07 0.00 0.05 0.00 0.00 55.36 57.12 2kfj s GLN 51 Cb -0.12 -2.02 0.04 0.00 1.10 0.00 0.00 33.01 32.01 2kfj s GLN 51 CO 0.15 -0.83 0.48 0.34 -0.55 0.00 0.00 175.29 174.88 2kfj s ASP 52 N -2.24 4.79 0.56 6.67 3.68 0.12 -4.83 116.67 125.42 2kfj s ASP 52 Ca 0.68 -1.09 0.35 0.00 2.13 0.00 0.00 52.55 54.62 2kfj s ASP 52 Cb -0.20 0.25 1.47 0.00 -1.45 0.00 0.00 42.92 42.99 2kfj s ASP 52 CO 0.31 -1.09 2.02 1.05 0.13 0.00 0.00 175.17 177.59 2kfj h GLU 53 N 0.67 0.00 -0.40 4.34 9.09 -1.93 -1.27 114.58 125.07 2kfj h GLU 53 Ca -0.36 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.05 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 0.54 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 179.35 2kfj n ASP 54 N -3.09 1.91 -0.09 3.06 9.92 -1.26 -4.85 116.55 122.16 2kfj n ASP 54 Ca 0.00 -2.07 -0.01 0.00 -0.53 0.00 0.00 54.79 52.18 2kfj n ASP 54 Cb 0.28 -0.27 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 0.31 3.97 0.44 0.00 -0.48 -4.98 105.19 105.33 2kfj n GLY 55 Ca 0.11 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.08 4.17 -0.17 1.61 -0.00 -1.26 -4.76 116.67 114.18 2kfj s ASP 56 Ca 0.00 -0.16 -0.00 0.00 -0.00 0.00 0.00 52.55 52.39 2kfj s ASP 56 Cb 0.00 -0.19 -0.00 0.00 -0.00 0.00 0.00 42.92 42.72 2kfj s ASP 56 CO 0.00 -1.99 -0.14 0.72 -0.00 0.00 0.00 175.17 173.75 2kfj s PHE 57 N -3.29 2.81 0.19 4.23 -0.71 -1.26 0.15 117.98 120.09 2kfj s PHE 57 Ca 0.67 -1.09 0.08 0.00 -1.04 0.00 0.00 56.93 55.55 2kfj s PHE 57 Cb -0.06 -1.92 -0.04 0.00 -1.21 0.00 0.00 43.02 39.79 2kfj s PHE 57 CO 0.46 -0.52 -0.15 0.14 -1.34 0.00 0.00 175.22 173.81 2kfj s VAL 58 N 0.95 1.73 0.26 -2.49 -7.23 0.46 -4.96 120.40 109.11 2kfj s VAL 58 Ca -0.03 -2.11 -0.20 0.00 -1.81 0.00 0.00 61.98 57.83 2kfj s VAL 58 Cb -0.15 -1.96 -0.09 0.00 0.56 0.00 0.00 36.38 34.74 2kfj s VAL 58 CO -0.02 -0.52 0.77 0.54 -0.31 0.00 0.00 175.10 175.56 2kfj s VAL 59 N -2.72 4.51 -0.08 1.32 0.11 -1.26 0.13 120.40 122.41 2kfj s VAL 59 Ca 0.20 1.35 -0.02 0.00 -2.93 0.00 0.00 61.98 60.58 2kfj s VAL 59 Cb -0.02 -3.85 0.03 0.00 -1.53 0.00 0.00 36.38 31.01 2kfj s VAL 59 CO 0.06 0.13 0.01 -0.22 -3.33 0.00 0.00 175.10 171.75 2kfj s LEU 60 N -2.16 0.62 0.00 2.54 2.96 0.32 -4.77 118.68 118.19 2kfj s LEU 60 Ca 0.46 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.24 2kfj s LEU 60 Cb -0.16 -0.44 0.02 0.00 0.50 0.00 0.00 46.19 46.11 2kfj s LEU 60 CO 0.21 -0.21 0.78 0.61 -1.32 0.00 0.00 176.35 176.42 2kfj n GLY 61 N 5.15 0.75 3.66 7.98 0.00 -1.26 -0.98 105.19 120.48 2kfj n GLY 61 Ca -0.07 -0.03 -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 -0.58 -0.13 0.31 1.61 0.01 -1.26 -4.97 113.70 108.68 2kfj s SER 62 Ca 0.01 -0.85 0.09 0.00 1.31 0.00 0.00 55.95 56.51 2kfj s SER 62 Cb 0.02 0.62 0.49 0.00 0.21 0.00 0.00 66.02 67.36 2kfj s SER 62 CO -0.01 -1.19 1.71 -2.24 0.41 0.00 0.00 173.24 171.92 2kfj h ASP 63 N 2.19 0.13 0.86 2.44 3.04 -1.96 0.11 116.42 123.22 2kfj h ASP 63 Ca -0.24 -0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.49 2kfj h ASP 63 Cb 1.25 -0.04 0.00 0.00 -1.04 0.00 0.00 39.33 39.50 2kfj h ASP 63 CO 0.32 0.57 0.00 1.21 -2.04 0.00 0.00 179.24 179.31 2kfj n GLU 64 N -3.99 0.15 0.00 4.15 2.13 -1.26 -0.26 120.64 121.56 2kfj n GLU 64 Ca -0.02 0.30 0.05 0.00 0.66 0.00 0.00 57.16 58.16 2kfj n GLU 64 Cb 0.50 -1.74 -0.04 0.00 0.27 0.00 0.00 31.44 30.42 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 -2.02 0.75 -0.00 4.31 9.92 -0.71 -3.30 116.55 125.49 2kfj n ASP 65 Ca 0.04 -0.88 0.09 0.00 -0.53 0.00 0.00 54.79 53.51 2kfj n ASP 65 Cb 0.27 0.82 -0.13 0.00 -0.64 0.00 0.00 41.12 41.44 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 -0.90 0.00 -0.11 1.24 -0.00 0.29 -3.64 117.44 114.32 2kfj n TRP 66 Ca 0.03 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.38 2kfj n TRP 66 Cb 0.18 -0.22 -0.12 0.00 -0.00 0.00 0.00 31.31 31.15 2kfj n TRP 66 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 2kfj n ASN 67 N -1.81 1.68 0.00 5.87 0.23 0.64 -3.35 115.26 118.52 2kfj n ASN 67 Ca -0.00 -0.10 0.13 0.00 -0.53 0.00 0.00 54.58 54.09 2kfj n ASN 67 Cb 0.39 -0.03 0.64 0.00 -2.08 0.00 0.00 39.78 38.70 2kfj n ASN 67 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 2kfj n VAL 68 N -3.07 0.11 -0.10 3.53 0.31 -1.21 -2.77 118.33 115.13 2kfj n VAL 68 Ca -0.39 0.03 -0.11 0.00 -0.01 0.00 0.00 64.34 63.86 2kfj n VAL 68 Cb 0.99 -0.56 -0.16 0.00 -0.91 0.00 0.00 33.84 33.20 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 -1.39 1.50 -0.18 3.52 0.00 -1.24 -4.34 120.51 118.37 2kfj n ALA 69 Ca 0.10 -1.31 -0.10 0.00 0.00 0.00 0.00 53.44 52.13 2kfj n ALA 69 Cb 0.27 -0.17 0.01 0.00 0.00 0.00 0.00 19.45 19.56 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 0.90 -1.01 0.00 1.57 -1.53 -2.53 116.57 113.97 2kfj h LYS 70 Ca -0.55 -0.29 0.25 0.00 -1.87 0.00 0.00 60.65 58.20 2kfj h LYS 70 Cb 2.21 -0.08 -0.08 0.00 0.08 0.00 0.00 32.23 34.35 2kfj h LYS 70 CO 0.02 0.93 0.66 0.93 -0.57 0.00 0.00 179.45 181.42 2kfj h GLU 71 N 0.77 0.38 -0.18 3.15 5.08 -1.71 0.13 114.58 122.20 2kfj h GLU 71 Ca 0.15 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2kfj h GLU 71 Cb 0.52 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2kfj h GLU 71 CO 0.03 0.25 0.10 1.98 -1.00 0.00 0.00 179.01 180.36 2kfj h MET 72 N 0.39 0.25 -0.67 2.33 4.05 -1.65 -1.12 114.93 118.51 2kfj h MET 72 Ca 0.56 -0.03 0.09 0.00 -0.28 0.00 0.00 59.70 60.04 2kfj h MET 72 Cb 1.44 -0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 32.12 2kfj h MET 72 CO -0.25 0.25 0.31 -0.07 0.23 0.00 0.00 176.91 177.38 2kfj h LEU 73 N 0.18 0.39 -1.40 3.39 3.38 -0.77 0.98 115.31 121.46 2kfj h LEU 73 Ca 0.06 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2kfj h LEU 73 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2kfj h LEU 73 CO -0.01 0.23 0.21 0.00 0.09 0.00 0.00 178.44 178.96 2kfj h ALA 74 N 1.42 1.54 0.00 1.53 0.00 -1.04 1.21 119.26 123.91 2kfj h ALA 74 Ca 0.33 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 2kfj h ALA 74 Cb 0.36 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2kfj h ALA 74 CO -0.27 0.37 -0.51 0.93 0.00 0.00 0.00 179.25 179.77 2kfj h GLU 75 N 0.63 0.00 0.00 0.00 5.08 0.66 -3.04 114.58 117.90 2kfj h GLU 75 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2kfj h GLU 75 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2kfj h GLU 75 CO -0.02 0.51 -0.75 -0.91 -1.00 0.00 0.00 179.01 176.84 2kfj h ASN 76 N 0.00 0.00 -6.04 1.42 -0.26 0.23 -3.48 115.58 107.45 2kfj h ASN 76 Ca -0.01 -0.24 -0.43 0.00 -0.56 0.00 0.00 56.30 55.06 2kfj h ASN 76 Cb 1.32 0.00 0.06 0.00 -1.06 0.00 0.00 38.32 38.64 2kfj h ASN 76 CO 0.07 0.12 -0.71 0.59 -1.06 0.00 0.00 177.43 176.43 2kfj n ASN 77 N -2.11 -5.70 -4.52 5.81 3.02 0.40 -4.98 115.26 107.18 2kfj n ASN 77 Ca 0.03 -0.64 -0.24 0.00 -0.03 0.00 0.00 54.58 53.69 2kfj n ASN 77 Cb 0.45 -4.55 -0.10 0.00 -0.61 0.00 0.00 39.78 34.97 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 -6.44 1.82 -0.11 3.52 -1.05 -0.96 -5.03 118.70 110.44 2kfj s GLU 78 Ca 0.62 -1.74 0.14 0.00 -0.15 0.00 0.00 54.97 53.84 2kfj s GLU 78 Cb -0.29 -1.83 0.43 0.00 -0.44 0.00 0.00 34.13 32.00 2kfj s GLU 78 CO 0.77 0.29 1.34 1.17 0.95 0.00 0.00 175.26 179.78 2kfj n LYS 79 N -0.71 2.82 -3.94 -4.83 4.81 -1.26 -4.72 118.16 110.33 2kfj n LYS 79 Ca -0.05 -2.53 -0.10 0.00 -0.87 0.00 0.00 58.31 54.76 2kfj n LYS 79 Cb 0.61 -1.61 -0.10 0.00 0.02 0.00 0.00 35.03 33.94 2kfj n LYS 79 CO 0.00 0.00 0.00 -0.59 1.17 0.00 0.00 177.40 177.98 2kfj s PHE 80 N -2.20 0.18 0.16 5.64 -0.71 -1.26 -1.47 117.98 118.31 2kfj s PHE 80 Ca 0.34 -0.39 0.05 0.00 -1.04 0.00 0.00 56.93 55.90 2kfj s PHE 80 Cb 0.26 -0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.89 2kfj s PHE 80 CO 0.10 -0.25 -0.11 -1.17 -1.34 0.00 0.00 175.22 172.45 2kfj s LEU 81 N -1.53 2.53 -0.32 -1.99 0.20 -0.08 -4.95 118.68 112.54 2kfj s LEU 81 Ca -0.14 -1.01 -0.13 0.00 0.69 0.00 0.00 54.13 53.54 2kfj s LEU 81 Cb -0.08 -0.41 -0.03 0.00 -0.43 0.00 0.00 46.19 45.24 2kfj s LEU 81 CO -0.00 -0.30 0.25 0.21 -0.29 0.00 0.00 176.35 176.22 2kfj s ASN 82 N -3.17 6.07 -0.05 3.68 2.47 -1.26 -1.59 114.94 121.09 2kfj s ASN 82 Ca 0.17 -0.27 0.05 0.00 0.42 0.00 0.00 52.86 53.24 2kfj s ASN 82 Cb 0.02 -2.14 -0.02 0.00 -1.45 0.00 0.00 41.25 37.65 2kfj s ASN 82 CO 0.02 -0.20 -0.20 -0.63 -3.72 0.00 0.00 177.10 172.37 2kfj s ILE 83 N 1.78 2.54 0.18 -5.21 -1.09 -1.16 -1.87 121.20 116.37 2kfj s ILE 83 Ca 0.07 -0.91 0.08 0.00 -2.23 0.00 0.00 60.65 57.66 2kfj s ILE 83 Cb -0.17 -1.95 -0.04 0.00 -1.58 0.00 0.00 42.46 38.72 2kfj s ILE 83 CO 0.11 0.58 -0.02 -0.60 -1.23 0.00 0.00 174.94 173.78 2kfj s ARG 84 N -0.50 2.33 -0.24 2.79 3.52 0.13 0.11 118.95 127.09 2kfj s ARG 84 Ca 0.06 -1.16 -0.05 0.00 -0.13 0.00 0.00 55.73 54.46 2kfj s ARG 84 Cb -0.11 -2.31 0.12 0.00 -1.56 0.00 0.00 34.95 31.09 2kfj s ARG 84 CO 0.01 0.44 0.45 -1.17 -0.81 0.00 0.00 175.30 174.23 2kfj s LEU 85 N -2.97 -0.79 0.00 -0.88 2.96 0.50 -2.93 118.68 114.56 2kfj s LEU 85 Ca 0.27 0.81 0.03 0.00 -0.22 0.00 0.00 54.13 55.03 2kfj s LEU 85 Cb -0.09 1.49 0.02 0.00 0.50 0.00 0.00 46.19 48.11 2kfj s LEU 85 CO 0.18 -0.25 0.59 0.00 -1.32 0.00 0.00 176.35 175.55