#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 -3.53 1.53 4.32 -1.26 -4.59 117.00 113.46 2kfj n LEU 2 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.58 2kfj n LEU 2 Cb 0.00 0.23 -0.01 0.00 -1.62 0.00 0.00 43.42 42.01 2kfj n LEU 2 CO 0.00 0.23 2.87 0.61 -1.22 0.00 0.00 177.39 179.88 2kfj n GLY 3 N 1.51 4.50 2.06 -0.72 0.00 -1.26 -4.80 105.19 106.48 2kfj n GLY 3 Ca -0.17 -1.68 -0.01 0.00 0.00 0.00 0.00 46.02 44.17 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 4.16 -0.83 -4.22 1.61 7.64 -1.26 -4.58 113.62 116.14 2kfj n SER 4 Ca 0.63 -1.37 -0.24 0.00 1.01 0.00 0.00 58.87 58.91 2kfj n SER 4 Cb 0.30 1.33 -0.14 0.00 -1.01 0.00 0.00 64.21 64.69 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 -2.23 1.50 0.12 0.44 1.01 -0.98 -4.86 121.20 116.20 2kfj s ILE 5 Ca 0.13 -1.11 -0.18 0.00 0.00 0.00 0.00 60.65 59.49 2kfj s ILE 5 Cb -0.01 -1.31 -0.07 0.00 0.01 0.00 0.00 42.46 41.08 2kfj s ILE 5 CO 0.02 0.17 0.60 -0.22 0.00 0.00 0.00 174.94 175.50 2kfj s LEU 6 N -1.11 4.44 -0.26 2.97 0.20 -1.26 -1.86 118.68 121.80 2kfj s LEU 6 Ca 0.06 1.25 0.02 0.00 0.69 0.00 0.00 54.13 56.15 2kfj s LEU 6 Cb -0.08 -3.14 0.07 0.00 -0.43 0.00 0.00 46.19 42.60 2kfj s LEU 6 CO 0.01 0.18 -0.06 -0.36 -0.29 0.00 0.00 176.35 175.83 2kfj s PHE 7 N -1.29 2.94 -0.40 5.38 0.40 -1.02 0.78 117.98 124.77 2kfj s PHE 7 Ca 0.34 -2.17 -0.24 0.00 -0.60 0.00 0.00 56.93 54.26 2kfj s PHE 7 Cb -0.18 -1.90 0.02 0.00 0.51 0.00 0.00 43.02 41.47 2kfj s PHE 7 CO 0.20 -0.85 0.85 1.03 0.70 0.00 0.00 175.22 177.15 2kfj s ARG 8 N 1.21 3.69 -0.53 0.44 0.52 -0.71 -2.15 118.95 121.42 2kfj s ARG 8 Ca -0.05 0.30 -0.17 0.00 -0.52 0.00 0.00 55.73 55.30 2kfj s ARG 8 Cb -0.19 -3.85 0.11 0.00 0.52 0.00 0.00 34.95 31.54 2kfj s ARG 8 CO -0.06 -0.99 0.52 0.42 0.02 0.00 0.00 175.30 175.21 2kfj s ILE 9 N 3.36 5.12 -0.31 1.52 1.09 -1.08 0.15 121.20 131.06 2kfj s ILE 9 Ca 0.34 -1.23 -0.19 0.00 -1.10 0.00 0.00 60.65 58.47 2kfj s ILE 9 Cb -0.12 -4.31 -0.01 0.00 -1.06 0.00 0.00 42.46 36.95 2kfj s ILE 9 CO 0.20 -0.84 0.55 -0.94 -0.10 0.00 0.00 174.94 173.81 2kfj s SER 10 N 3.30 6.40 -0.75 3.58 1.04 -1.19 -1.49 113.70 124.58 2kfj s SER 10 Ca 0.06 0.28 -0.01 0.00 0.48 0.00 0.00 55.95 56.75 2kfj s SER 10 Cb -0.27 -2.29 0.39 0.00 0.10 0.00 0.00 66.02 63.95 2kfj s SER 10 CO 0.05 -0.42 1.96 0.00 0.98 0.00 0.00 173.24 175.81 2kfj n TYR 11 N 5.72 3.08 -1.25 5.02 4.19 -1.11 0.40 117.16 133.21 2kfj n TYR 11 Ca -0.04 -2.59 -0.11 0.00 3.31 0.00 0.00 57.90 58.47 2kfj n TYR 11 Cb 0.49 -1.19 -0.05 0.00 0.49 0.00 0.00 39.34 39.08 2kfj n TYR 11 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 2kfj n ASN 12 N -0.66 -4.24 0.00 2.98 3.02 -1.26 -4.56 115.26 110.55 2kfj n ASN 12 Ca 0.56 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 55.38 2kfj n ASN 12 Cb 0.41 -3.47 0.00 0.00 -0.61 0.00 0.00 39.78 36.11 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 -0.55 0.00 -4.79 6.41 2.88 -1.26 -5.15 113.62 111.16 2kfj n SER 13 Ca -0.11 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.20 2kfj n SER 13 Cb 0.47 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.88 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 0.00 2.84 -0.19 -1.46 2.02 -1.26 -5.10 118.70 115.54 2kfj s GLU 14 Ca 0.00 -1.06 -0.09 0.00 0.02 0.00 0.00 54.97 53.84 2kfj s GLU 14 Cb 0.00 -2.53 -0.05 0.00 0.10 0.00 0.00 34.13 31.65 2kfj s GLU 14 CO 0.00 0.42 0.11 0.42 0.02 0.00 0.00 175.26 176.23 2kfj s ILE 15 N -2.06 5.27 0.50 -1.63 -1.09 -1.26 -2.75 121.20 118.17 2kfj s ILE 15 Ca 0.32 0.14 0.08 0.00 -2.23 0.00 0.00 60.65 58.96 2kfj s ILE 15 Cb -0.08 -3.39 0.04 0.00 -1.58 0.00 0.00 42.46 37.45 2kfj s ILE 15 CO 0.24 0.46 0.61 -0.36 -1.23 0.00 0.00 174.94 174.65 2kfj s PHE 16 N 0.26 2.05 -0.07 3.97 0.08 -0.56 -4.89 117.98 118.83 2kfj s PHE 16 Ca 0.07 -0.61 0.00 0.00 0.12 0.00 0.00 56.93 56.52 2kfj s PHE 16 Cb -0.11 -2.21 0.02 0.00 -0.57 0.00 0.00 43.02 40.15 2kfj s PHE 16 CO -0.01 -0.68 -0.06 0.95 -0.10 0.00 0.00 175.22 175.32 2kfj s THR 17 N -2.56 0.72 -0.19 0.64 -4.23 -1.26 -2.63 115.64 106.13 2kfj s THR 17 Ca 0.54 -0.17 -0.03 0.00 -1.18 0.00 0.00 61.69 60.85 2kfj s THR 17 Cb -0.06 -0.75 0.06 0.00 1.34 0.00 0.00 72.50 73.09 2kfj s THR 17 CO 0.33 0.29 0.04 -0.22 -0.54 0.00 0.00 174.62 174.52 2kfj s LEU 18 N 1.26 1.12 -0.52 4.79 1.98 -0.91 -4.98 118.68 121.42 2kfj s LEU 18 Ca -0.05 -0.79 -0.27 0.00 -2.89 0.00 0.00 54.13 50.13 2kfj s LEU 18 Cb -0.14 -0.57 -0.03 0.00 0.66 0.00 0.00 46.19 46.11 2kfj s LEU 18 CO -0.02 -0.31 1.97 -0.22 -1.89 0.00 0.00 176.35 175.88 2kfj s LEU 19 N 1.88 3.36 -0.34 -0.68 1.98 -1.26 -2.44 118.68 121.18 2kfj s LEU 19 Ca -0.01 0.72 -0.09 0.00 -2.89 0.00 0.00 54.13 51.86 2kfj s LEU 19 Cb -0.17 -2.74 0.02 0.00 0.66 0.00 0.00 46.19 43.95 2kfj s LEU 19 CO -0.08 -2.34 0.15 0.54 -1.89 0.00 0.00 176.35 172.73 2kfj s VAL 20 N 9.25 4.30 1.13 1.68 0.11 -0.78 -5.00 120.40 131.10 2kfj s VAL 20 Ca 0.76 -0.79 -0.18 0.00 -2.93 0.00 0.00 61.98 58.85 2kfj s VAL 20 Cb -0.16 -3.33 0.13 0.00 -1.53 0.00 0.00 36.38 31.49 2kfj s VAL 20 CO 0.25 -0.10 0.11 -0.62 -3.33 0.00 0.00 175.10 171.41 2kfj n GLU 21 N 4.93 -1.74 -0.31 1.54 -0.58 -1.26 -2.32 120.64 120.91 2kfj n GLU 21 Ca -0.13 -0.49 0.04 0.00 -0.42 0.00 0.00 57.16 56.16 2kfj n GLU 21 Cb 0.47 -1.75 0.17 0.00 -0.57 0.00 0.00 31.44 29.76 2kfj n GLU 21 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2kfj n LYS 22 N -2.40 2.35 0.00 3.49 5.02 -1.26 -3.14 118.16 122.22 2kfj n LYS 22 Ca 0.01 -1.36 0.00 0.00 -2.02 0.00 0.00 58.31 54.93 2kfj n LYS 22 Cb 0.62 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 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 0.39 0.22 -2.81 -0.18 3.14 -1.26 -4.92 118.33 112.91 2kfj n VAL 23 Ca 0.12 -0.47 -0.43 0.00 -2.96 0.00 0.00 64.34 60.60 2kfj n VAL 23 Cb 0.51 1.09 -0.02 0.00 -1.06 0.00 0.00 33.84 34.35 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 -0.22 3.00 1.14 1.45 0.52 -1.19 -4.98 118.94 118.67 2kfj s TRP 24 Ca 0.00 -1.39 -0.17 0.00 0.02 0.00 0.00 56.10 54.55 2kfj s TRP 24 Cb 0.00 -4.43 0.27 0.00 -1.15 0.00 0.00 33.47 28.16 2kfj s TRP 24 CO 0.00 -1.61 0.61 0.27 0.02 0.00 0.00 176.95 176.24 2kfj n ASN 25 N 7.15 -3.51 -0.09 2.95 6.94 -1.26 -4.15 115.26 123.29 2kfj n ASN 25 Ca 0.30 -0.62 0.21 0.00 -0.02 0.00 0.00 54.58 54.45 2kfj n ASN 25 Cb 0.48 -0.80 0.65 0.00 -2.36 0.00 0.00 39.78 37.75 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 -3.15 0.14 0.36 -2.53 -0.00 -1.94 0.39 116.94 110.22 2kfj h PHE 26 Ca -0.28 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.68 2kfj h PHE 26 Cb 0.94 -0.04 0.00 0.00 -0.00 0.00 0.00 35.95 36.85 2kfj h PHE 26 CO 0.00 0.05 -0.17 0.22 -0.00 0.00 0.00 178.31 178.40 2kfj h ASP 27 N 0.12 -0.41 0.00 -0.68 -0.00 -1.95 0.10 116.42 113.60 2kfj h ASP 27 Ca 0.33 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 57.37 2kfj h ASP 27 Cb 1.12 0.11 0.00 0.00 -0.00 0.00 0.00 39.33 40.56 2kfj h ASP 27 CO -0.04 -0.20 0.08 0.44 -0.00 0.00 0.00 179.24 179.53 2kfj h ASP 28 N -0.68 0.00 0.17 2.28 5.19 -1.70 0.98 116.42 122.66 2kfj h ASP 28 Ca -0.05 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.35 2kfj h ASP 28 Cb 0.37 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.89 2kfj h ASP 28 CO 0.08 0.00 -0.08 0.25 -3.12 0.00 0.00 179.24 176.37 2kfj h LEU 29 N 0.00 -0.20 -1.00 1.55 5.85 0.00 0.13 115.31 121.65 2kfj h LEU 29 Ca 0.00 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.64 2kfj h LEU 29 Cb 0.17 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 2kfj h LEU 29 CO 0.00 0.32 0.65 0.40 -0.34 0.00 0.00 178.44 179.48 2kfj h ILE 30 N -1.03 1.15 0.00 4.05 1.08 0.11 0.11 117.51 122.97 2kfj h ILE 30 Ca -0.02 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 2kfj h ILE 30 Cb 0.31 -0.20 0.00 0.00 -3.07 0.00 0.00 36.82 33.86 2kfj h ILE 30 CO 0.04 0.23 0.00 0.24 -0.69 0.00 0.00 178.15 177.97 2kfj h MET 31 N 1.24 0.00 0.09 2.37 2.86 -0.93 -1.43 114.93 119.13 2kfj h MET 31 Ca 0.41 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.05 2kfj h MET 31 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2kfj h MET 31 CO -0.14 0.00 -0.04 0.00 1.06 0.00 0.00 176.91 177.78 2kfj h ALA 32 N 2.05 -0.34 -0.38 6.32 0.00 0.18 -3.21 119.26 123.89 2kfj h ALA 32 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2kfj h ALA 32 Cb 0.75 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2kfj h ALA 32 CO 0.00 -0.33 0.26 0.82 0.00 0.00 0.00 179.25 180.00 2kfj h ILE 33 N -0.33 0.98 -0.02 0.00 5.03 -1.33 0.25 117.51 122.09 2kfj h ILE 33 Ca -0.01 -0.11 0.00 0.00 -0.12 0.00 0.00 64.86 64.62 2kfj h ILE 33 Cb 0.10 0.63 -0.00 0.00 -3.03 0.00 0.00 36.82 34.52 2kfj h ILE 33 CO 0.02 0.06 0.23 0.78 -0.68 0.00 0.00 178.15 178.56 2kfj h ASN 34 N 0.32 0.00 0.66 1.72 -0.26 -1.34 1.01 115.58 117.69 2kfj h ASN 34 Ca 0.16 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.84 2kfj h ASN 34 Cb 0.24 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.49 2kfj h ASN 34 CO -0.04 0.00 -1.39 -0.24 -1.06 0.00 0.00 177.43 174.70 2kfj n SER 35 N -3.00 0.63 0.04 5.81 2.88 0.86 -2.70 113.62 118.15 2kfj n SER 35 Ca -0.02 0.25 -0.20 0.00 -1.33 0.00 0.00 58.87 57.58 2kfj n SER 35 Cb 0.29 0.73 -0.12 0.00 -0.75 0.00 0.00 64.21 64.36 2kfj n SER 35 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2kfj h LYS 36 N 0.00 0.50 0.00 -1.46 1.79 0.11 -3.17 116.57 114.34 2kfj h LYS 36 Ca -0.07 -0.63 0.00 0.00 -2.18 0.00 0.00 60.65 57.77 2kfj h LYS 36 Cb 1.21 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 32.06 2kfj h LYS 36 CO 0.01 1.25 -0.02 -0.84 -1.08 0.00 0.00 179.45 178.77 2kfj h ILE 37 N 0.04 0.00 0.00 1.86 3.07 -1.10 -3.18 117.51 118.21 2kfj h ILE 37 Ca -0.13 -0.60 0.00 0.00 1.55 0.00 0.00 64.86 65.68 2kfj h ILE 37 Cb 1.62 1.59 0.00 0.00 -0.27 0.00 0.00 36.82 39.75 2kfj h ILE 37 CO 0.18 0.00 0.26 -1.28 -1.05 0.00 0.00 178.15 176.26 2kfj h SER 38 N 0.00 0.00 -1.73 2.16 0.87 -1.48 -1.63 113.55 111.74 2kfj h SER 38 Ca 0.00 0.00 0.50 0.00 -1.23 0.00 0.00 61.79 61.06 2kfj h SER 38 Cb 0.80 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.69 2kfj h SER 38 CO 0.00 0.00 1.31 -0.55 -0.53 0.00 0.00 176.83 177.06 2kfj h ASN 39 N 0.00 0.00 0.00 6.23 -1.07 -1.71 0.17 115.58 119.20 2kfj h ASN 39 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.30 2kfj h ASN 39 Cb 0.52 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.76 2kfj h ASN 39 CO 0.00 0.00 -0.91 0.35 0.07 0.00 0.00 177.43 176.94 2kfj n THR 40 N -3.88 1.46 -2.00 6.14 -2.24 -0.61 -5.01 114.28 108.14 2kfj n THR 40 Ca 0.39 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 62.28 2kfj n THR 40 Cb 1.84 -2.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 2kfj n THR 40 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2kfj n HIS 41 N -4.52 0.00 0.00 4.78 -0.00 0.05 -4.99 115.22 110.53 2kfj n HIS 41 Ca -0.17 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.01 2kfj n HIS 41 Cb 0.44 -0.96 0.00 0.00 -0.12 0.00 0.00 29.99 29.35 2kfj n HIS 41 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 2kfj n ILE 42 N -3.66 0.00 -3.47 3.57 2.08 -1.26 -5.01 119.36 111.60 2kfj n ILE 42 Ca 0.00 0.18 -0.23 0.00 0.56 0.00 0.00 62.75 63.27 2kfj n ILE 42 Cb 0.48 -1.15 -0.12 0.00 -0.75 0.00 0.00 39.64 38.10 2kfj n ILE 42 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2kfj s SER 43 N -2.18 2.46 0.23 4.38 1.04 -1.26 -5.14 113.70 113.23 2kfj s SER 43 Ca 0.00 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.50 2kfj s SER 43 Cb 0.00 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2kfj s SER 43 CO 0.00 -0.40 0.00 -0.81 0.98 0.00 0.00 173.24 173.01 2kfj n PRO 44 N 5.28 0.66 -4.32 4.02 -0.04 -1.26 -5.11 135.00 134.23 2kfj n PRO 44 Ca -0.04 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.25 2kfj n PRO 44 Cb 0.45 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.81 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 0.76 0.00 0.52 -5.25 -1.26 -5.05 121.20 110.70 2kfj s ILE 45 Ca 0.00 -2.00 0.00 0.00 -0.99 0.00 0.00 60.65 57.66 2kfj s ILE 45 Cb 0.00 -2.51 0.00 0.00 2.95 0.00 0.00 42.46 42.90 2kfj s ILE 45 CO 0.00 -0.15 0.50 0.35 -1.79 0.00 0.00 174.94 173.85 2kfj n THR 46 N -0.45 0.25 -4.06 8.37 -2.24 -1.26 -4.86 114.28 110.04 2kfj n THR 46 Ca -0.02 -0.40 -0.09 0.00 -2.27 0.00 0.00 64.05 61.27 2kfj n THR 46 Cb 0.65 1.12 -0.09 0.00 -2.10 0.00 0.00 70.33 69.91 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 -0.25 0.91 0.15 -0.78 0.00 -1.26 -4.87 119.74 113.64 2kfj s LYS 47 Ca 0.00 -1.28 -0.13 0.00 0.00 0.00 0.00 55.97 54.57 2kfj s LYS 47 Cb 0.00 0.28 0.01 0.00 0.00 0.00 0.00 37.83 38.12 2kfj s LYS 47 CO 0.00 -0.27 0.36 0.96 0.00 0.00 0.00 175.35 176.39 2kfj s ILE 48 N -3.98 0.07 -0.47 3.79 -4.36 -1.09 -4.93 121.20 110.23 2kfj s ILE 48 Ca 0.17 -1.02 0.03 0.00 -0.26 0.00 0.00 60.65 59.57 2kfj s ILE 48 Cb 0.06 -1.55 0.13 0.00 1.25 0.00 0.00 42.46 42.35 2kfj s ILE 48 CO -0.02 -0.31 0.22 -0.75 0.24 0.00 0.00 174.94 174.31 2kfj s LYS 49 N -3.89 1.69 0.42 0.37 2.20 -0.57 0.14 119.74 120.10 2kfj s LYS 49 Ca 0.10 -2.30 -0.18 0.00 -0.36 0.00 0.00 55.97 53.22 2kfj s LYS 49 Cb 0.02 -3.01 -0.10 0.00 -1.51 0.00 0.00 37.83 33.23 2kfj s LYS 49 CO -0.05 -1.09 0.90 1.52 -0.36 0.00 0.00 175.35 176.27 2kfj s TYR 50 N 0.11 3.36 0.55 4.03 1.13 0.14 -0.87 117.35 125.81 2kfj s TYR 50 Ca 0.16 1.46 -0.17 0.00 -1.41 0.00 0.00 57.07 57.11 2kfj s TYR 50 Cb -0.24 -2.75 -0.06 0.00 -1.10 0.00 0.00 41.96 37.81 2kfj s TYR 50 CO -0.02 -0.12 1.03 -1.14 -2.51 0.00 0.00 175.55 172.79 2kfj s GLN 51 N -3.37 3.58 0.16 -3.49 0.74 -0.60 -0.05 119.66 116.64 2kfj s GLN 51 Ca 0.59 1.17 0.00 0.00 0.05 0.00 0.00 55.36 57.17 2kfj s GLN 51 Cb -0.10 -2.07 -0.00 0.00 1.10 0.00 0.00 33.01 31.94 2kfj s GLN 51 CO 0.19 -0.59 0.00 -0.40 -0.55 0.00 0.00 175.29 173.94 2kfj n ASP 52 N -1.70 2.37 0.22 6.67 5.68 -1.22 -4.87 116.55 123.70 2kfj n ASP 52 Ca 0.08 -1.73 0.10 0.00 -0.50 0.00 0.00 54.79 52.74 2kfj n ASP 52 Cb 0.53 0.13 0.43 0.00 -1.14 0.00 0.00 41.12 41.07 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 0.00 -0.00 0.11 4.11 -1.94 -1.99 114.58 114.87 2kfj h GLU 53 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.29 2kfj h GLU 53 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2kfj h GLU 53 CO 0.22 0.23 0.00 -0.25 0.07 0.00 0.00 179.01 179.29 2kfj n ASP 54 N -3.38 0.01 -1.31 3.06 9.92 -1.26 -4.85 116.55 118.75 2kfj n ASP 54 Ca 0.00 -1.15 -0.17 0.00 -0.53 0.00 0.00 54.79 52.95 2kfj n ASP 54 Cb 0.45 -0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.86 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 0.93 1.57 3.28 0.44 0.00 -0.75 -4.97 105.19 105.70 2kfj n GLY 55 Ca 0.21 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.80 3.81 0.32 1.61 1.11 -1.26 -4.86 116.67 114.61 2kfj s ASP 56 Ca 0.00 -0.44 -0.28 0.00 0.18 0.00 0.00 52.55 52.01 2kfj s ASP 56 Cb 0.00 -1.60 -0.13 0.00 1.07 0.00 0.00 42.92 42.26 2kfj s ASP 56 CO 0.00 0.07 1.22 2.22 1.18 0.00 0.00 175.17 179.86 2kfj n PHE 57 N 4.16 2.01 -3.89 4.23 1.16 -1.26 -3.38 117.46 120.49 2kfj n PHE 57 Ca -0.19 0.59 -0.14 0.00 -1.87 0.00 0.00 57.45 55.84 2kfj n PHE 57 Cb 0.52 -2.37 -0.15 0.00 -1.61 0.00 0.00 39.48 35.86 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 -1.03 0.07 0.93 1.97 -7.23 0.92 -4.95 120.40 111.08 2kfj s VAL 58 Ca 0.57 0.04 -0.11 0.00 -1.81 0.00 0.00 61.98 60.67 2kfj s VAL 58 Cb -0.61 -0.11 0.12 0.00 0.56 0.00 0.00 36.38 36.34 2kfj s VAL 58 CO 0.61 0.06 0.97 0.52 -0.31 0.00 0.00 175.10 176.95 2kfj n VAL 59 N 3.50 0.02 -3.49 1.32 0.31 -1.26 0.27 118.33 119.01 2kfj n VAL 59 Ca -0.18 -0.05 -0.02 0.00 -0.01 0.00 0.00 64.34 64.08 2kfj n VAL 59 Cb 0.56 -0.91 -0.05 0.00 -0.91 0.00 0.00 33.84 32.53 2kfj n VAL 59 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2kfj s LEU 60 N -5.25 -1.08 0.00 7.52 2.96 0.36 -4.65 118.68 118.54 2kfj s LEU 60 Ca 0.65 1.16 0.04 0.00 -0.22 0.00 0.00 54.13 55.75 2kfj s LEU 60 Cb -0.23 1.99 0.06 0.00 0.50 0.00 0.00 46.19 48.52 2kfj s LEU 60 CO 0.60 -0.24 0.87 0.61 -1.32 0.00 0.00 176.35 176.87 2kfj n GLY 61 N 5.43 0.73 3.46 7.98 0.00 -1.26 -2.69 105.19 118.83 2kfj n GLY 61 Ca -0.08 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 2kfj n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kfj s SER 62 N -0.82 -0.04 0.23 1.61 1.04 -1.26 -5.01 113.70 109.45 2kfj s SER 62 Ca 0.05 -0.89 0.10 0.00 0.48 0.00 0.00 55.95 55.68 2kfj s SER 62 Cb 0.05 0.51 0.19 0.00 0.10 0.00 0.00 66.02 66.88 2kfj s SER 62 CO -0.02 -1.01 1.51 -2.24 0.98 0.00 0.00 173.24 172.45 2kfj h ASP 63 N 2.38 0.00 0.87 7.02 3.04 -1.96 0.17 116.42 127.95 2kfj h ASP 63 Ca -0.29 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.50 2kfj h ASP 63 Cb 1.24 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.53 2kfj h ASP 63 CO 0.42 0.72 0.00 -0.08 -2.04 0.00 0.00 179.24 178.26 2kfj h GLU 64 N 0.00 0.00 0.00 4.15 4.81 -1.97 0.72 114.58 122.29 2kfj h GLU 64 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2kfj h GLU 64 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2kfj h GLU 64 CO 0.09 0.00 -1.08 -3.47 -0.73 0.00 0.00 179.01 173.82 2kfj n ASP 65 N -2.74 1.52 0.05 1.04 4.64 -1.05 -3.14 116.55 116.88 2kfj n ASP 65 Ca 0.01 -0.35 0.07 0.00 -1.38 0.00 0.00 54.79 53.15 2kfj n ASP 65 Cb 0.27 1.29 -0.07 0.00 -1.04 0.00 0.00 41.12 41.57 2kfj n ASP 65 CO 0.00 0.00 0.00 1.87 -0.82 0.00 0.00 177.20 178.25 2kfj n TRP 66 N -1.62 0.67 -0.08 -0.67 -0.00 0.58 -2.83 117.44 113.50 2kfj n TRP 66 Ca -0.00 0.21 -0.16 0.00 -0.00 0.00 0.00 57.50 57.55 2kfj n TRP 66 Cb 0.25 -0.88 -0.14 0.00 -0.00 0.00 0.00 31.31 30.54 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 -2.63 1.39 0.17 5.87 5.15 0.25 -3.06 115.26 122.40 2kfj n ASN 67 Ca -0.05 0.05 0.13 0.00 -0.60 0.00 0.00 54.58 54.10 2kfj n ASN 67 Cb 0.66 -0.13 0.42 0.00 -0.53 0.00 0.00 39.78 40.21 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 0.02 0.00 0.12 3.44 2.07 -1.69 -0.46 116.25 119.75 2kfj h VAL 68 Ca -0.50 -0.54 -0.35 0.00 0.82 0.00 0.00 66.70 66.13 2kfj h VAL 68 Cb 2.03 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 2kfj h VAL 68 CO 0.00 0.00 -1.91 0.00 0.02 0.00 0.00 177.57 175.68 2kfj h ALA 69 N 2.25 0.41 -0.05 1.67 0.00 -1.67 -3.29 119.26 118.59 2kfj h ALA 69 Ca 0.00 -1.35 -0.02 0.00 0.00 0.00 0.00 54.91 53.54 2kfj h ALA 69 Cb 0.66 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2kfj h ALA 69 CO 0.00 1.28 -0.07 0.87 0.00 0.00 0.00 179.25 181.34 2kfj h LYS 70 N 0.07 0.13 0.00 0.00 1.57 -1.46 -2.70 116.57 114.19 2kfj h LYS 70 Ca -0.39 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2kfj h LYS 70 Cb 2.04 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.36 2kfj h LYS 70 CO 0.11 0.61 0.20 1.05 -0.57 0.00 0.00 179.45 180.85 2kfj h GLU 71 N -0.34 0.00 0.00 3.15 4.11 -1.25 0.45 114.58 120.70 2kfj h GLU 71 Ca 0.01 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.22 2kfj h GLU 71 Cb 0.60 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 2kfj h GLU 71 CO 0.02 0.00 -1.08 1.98 0.07 0.00 0.00 179.01 180.00 2kfj h MET 72 N 0.00 0.00 -0.21 1.06 4.05 -1.55 -3.33 114.93 114.96 2kfj h MET 72 Ca 0.00 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.48 2kfj h MET 72 Cb 0.39 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.13 2kfj h MET 72 CO 0.00 0.89 -0.19 -0.07 0.23 0.00 0.00 176.91 177.76 2kfj h LEU 73 N 0.00 -0.62 -2.22 3.39 3.38 0.04 0.82 115.31 120.10 2kfj h LEU 73 Ca -0.05 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2kfj h LEU 73 Cb 1.78 0.30 0.00 0.00 0.09 0.00 0.00 40.66 42.83 2kfj h LEU 73 CO 0.12 -0.24 0.21 0.00 0.09 0.00 0.00 178.44 178.62 2kfj h ALA 74 N 0.87 1.20 0.00 1.53 0.00 -1.66 0.62 119.26 121.83 2kfj h ALA 74 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.76 2kfj h ALA 74 Cb 0.40 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2kfj h ALA 74 CO -0.33 -0.20 -1.67 0.39 0.00 0.00 0.00 179.25 177.43 2kfj n GLU 75 N -2.87 0.63 0.00 0.00 -0.58 0.24 -3.69 120.64 114.37 2kfj n GLU 75 Ca -0.02 0.28 0.15 0.00 -0.42 0.00 0.00 57.16 57.14 2kfj n GLU 75 Cb 0.26 -1.79 0.68 0.00 -0.57 0.00 0.00 31.44 30.02 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 -3.01 0.65 -1.61 1.62 5.03 0.19 -4.87 115.26 113.26 2kfj n ASN 76 Ca -0.16 -0.99 -0.20 0.00 0.87 0.00 0.00 54.58 54.09 2kfj n ASN 76 Cb 1.02 -0.02 -0.08 0.00 -1.02 0.00 0.00 39.78 39.67 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 -0.62 -5.47 -4.76 6.41 5.03 0.15 -4.95 115.26 111.06 2kfj n ASN 77 Ca 0.19 0.46 -0.31 0.00 0.87 0.00 0.00 54.58 55.79 2kfj n ASN 77 Cb 0.25 -4.74 -0.07 0.00 -1.02 0.00 0.00 39.78 34.20 2kfj n ASN 77 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 2kfj s GLU 78 N -3.81 2.87 -0.17 3.52 -1.05 -1.03 -5.00 118.70 114.03 2kfj s GLU 78 Ca 0.00 -0.65 0.16 0.00 -0.15 0.00 0.00 54.97 54.33 2kfj s GLU 78 Cb 0.00 -2.73 0.53 0.00 -0.44 0.00 0.00 34.13 31.49 2kfj s GLU 78 CO 0.00 0.59 1.42 1.63 0.95 0.00 0.00 175.26 179.85 2kfj n LYS 79 N 0.74 2.98 -4.16 -4.83 5.02 -1.26 -4.36 118.16 112.29 2kfj n LYS 79 Ca -0.10 -2.80 -0.11 0.00 -2.02 0.00 0.00 58.31 53.27 2kfj n LYS 79 Cb 0.52 -1.82 -0.09 0.00 -0.02 0.00 0.00 35.03 33.62 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 -2.71 0.99 0.00 2.13 -0.12 -1.26 -4.12 117.98 112.89 2kfj s PHE 80 Ca 0.41 -1.24 0.01 0.00 -0.05 0.00 0.00 56.93 56.07 2kfj s PHE 80 Cb 0.33 -0.40 -0.00 0.00 -0.63 0.00 0.00 43.02 42.32 2kfj s PHE 80 CO 0.10 -0.72 -0.04 -1.17 -0.05 0.00 0.00 175.22 173.33 2kfj s LEU 81 N -3.13 2.03 -0.21 -1.99 2.96 0.23 -4.82 118.68 113.75 2kfj s LEU 81 Ca 0.35 -0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 54.12 2kfj s LEU 81 Cb 0.05 -0.20 0.00 0.00 0.50 0.00 0.00 46.19 46.54 2kfj s LEU 81 CO 0.12 0.02 -0.09 0.21 -1.32 0.00 0.00 176.35 175.30 2kfj s ASN 82 N -0.23 3.98 0.29 3.68 2.47 -1.26 -1.73 114.94 122.14 2kfj s ASN 82 Ca 0.00 -0.47 0.06 0.00 0.42 0.00 0.00 52.86 52.87 2kfj s ASN 82 Cb -0.02 -1.67 -0.02 0.00 -1.45 0.00 0.00 41.25 38.09 2kfj s ASN 82 CO -0.00 -0.02 0.38 -0.63 -3.72 0.00 0.00 177.10 173.12 2kfj s ILE 83 N 1.43 4.53 -0.07 -5.21 -1.09 0.40 -1.56 121.20 119.63 2kfj s ILE 83 Ca 0.05 -1.07 -0.01 0.00 -2.23 0.00 0.00 60.65 57.39 2kfj s ILE 83 Cb -0.14 -3.57 0.03 0.00 -1.58 0.00 0.00 42.46 37.20 2kfj s ILE 83 CO -0.06 -0.24 0.01 -0.60 -1.23 0.00 0.00 174.94 172.81 2kfj s ARG 84 N -4.05 0.52 0.03 2.79 6.06 -0.05 -3.15 118.95 121.10 2kfj s ARG 84 Ca 0.39 0.13 -0.00 0.00 -2.50 0.00 0.00 55.73 53.75 2kfj s ARG 84 Cb -0.09 -0.90 -0.04 0.00 0.06 0.00 0.00 34.95 33.98 2kfj s ARG 84 CO 0.29 -0.30 0.15 -0.51 -2.50 0.00 0.00 175.30 172.44 2kfj s LEU 85 N 1.94 4.16 0.00 -0.88 1.02 0.16 -1.51 118.68 123.58 2kfj s LEU 85 Ca 0.04 0.22 0.00 0.00 0.02 0.00 0.00 54.13 54.41 2kfj s LEU 85 Cb -0.12 -2.61 0.00 0.00 0.02 0.00 0.00 46.19 43.48 2kfj s LEU 85 CO -0.05 0.22 0.00 0.00 0.02 0.00 0.00 176.35 176.55