#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjb n THR 10 N 0.00 -1.63 0.00 3.41 -2.24 -1.26 -4.51 114.28 108.05 2kjb n THR 10 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2kjb n THR 10 Cb 0.00 -3.00 0.00 0.00 -2.10 0.00 0.00 70.33 65.23 2kjb n THR 10 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2kjb n ASP 11 N -2.39 0.00 -0.05 3.42 5.75 -1.26 -4.93 116.55 117.09 2kjb n ASP 11 Ca -0.11 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.66 2kjb n ASP 11 Cb 0.61 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.70 2kjb n ASP 11 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2kjb h THR 12 N 0.00 0.00 0.00 2.12 1.35 -2.03 -3.37 112.91 110.97 2kjb h THR 12 Ca 0.00 -0.94 -0.08 0.00 -0.55 0.00 0.00 66.41 64.84 2kjb h THR 12 Cb 0.00 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.41 2kjb h THR 12 CO 0.00 0.00 -0.39 -0.07 -0.25 0.00 0.00 175.52 174.81 2kjb h LEU 13 N -0.94 0.00 -1.35 3.87 3.38 -1.95 -2.87 115.31 115.45 2kjb h LEU 13 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kjb h LEU 13 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2kjb h LEU 13 CO 0.00 0.39 0.05 -0.62 0.09 0.00 0.00 178.44 178.35 2kjb n GLU 14 N -3.56 0.13 -0.03 1.13 4.71 -1.26 -1.46 120.64 120.30 2kjb n GLU 14 Ca -0.00 0.63 -0.00 0.00 -0.01 0.00 0.00 57.16 57.77 2kjb n GLU 14 Cb 0.51 -1.99 -0.00 0.00 -1.01 0.00 0.00 31.44 28.95 2kjb n GLU 14 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kjb h ARG 15 N 0.00 -0.03 0.00 3.49 2.47 -1.67 -3.17 114.38 115.47 2kjb h ARG 15 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2kjb h ARG 15 Cb 0.11 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 2kjb h ARG 15 CO 0.00 -0.02 0.00 -0.39 0.56 0.00 0.00 179.97 180.12 2kjb h VAL 16 N -0.84 0.00 -0.06 2.04 -1.51 -1.64 -2.32 116.25 111.92 2kjb h VAL 16 Ca -0.00 -0.07 -0.05 0.00 -1.23 0.00 0.00 66.70 65.34 2kjb h VAL 16 Cb 0.02 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 29.94 2kjb h VAL 16 CO 0.01 0.00 -0.15 0.74 -1.23 0.00 0.00 177.57 176.93 2kjb h THR 17 N 0.00 1.43 -0.58 7.19 2.02 -1.34 -3.15 112.91 118.49 2kjb h THR 17 Ca 0.00 -1.52 0.08 0.00 0.77 0.00 0.00 66.41 65.74 2kjb h THR 17 Cb 0.10 2.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.76 2kjb h THR 17 CO 0.00 0.42 0.39 -0.33 0.37 0.00 0.00 175.52 176.37 2kjb h GLU 18 N -0.31 0.43 0.66 6.66 5.08 -1.38 -1.74 114.58 123.98 2kjb h GLU 18 Ca -0.00 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2kjb h GLU 18 Cb 0.76 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.92 2kjb h GLU 18 CO 0.03 0.28 -0.32 0.82 -1.00 0.00 0.00 179.01 178.83 2kjb h ILE 19 N 0.44 0.00 -0.76 3.13 2.04 -1.54 -2.03 117.51 118.80 2kjb h ILE 19 Ca 0.26 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.19 2kjb h ILE 19 Cb 0.45 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.47 2kjb h ILE 19 CO -0.07 0.00 0.44 -0.26 0.00 0.00 0.00 178.15 178.26 2kjb h PHE 20 N -0.89 0.80 -0.89 1.37 0.04 -1.49 -1.43 116.94 114.46 2kjb h PHE 20 Ca -0.09 0.03 0.13 0.00 2.80 0.00 0.00 57.97 60.83 2kjb h PHE 20 Cb 0.68 -0.25 -0.07 0.00 2.20 0.00 0.00 35.95 38.51 2kjb h PHE 20 CO 0.08 0.38 0.57 -0.22 -0.60 0.00 0.00 178.31 178.52 2kjb h LYS 21 N 0.79 0.74 -0.95 1.51 3.11 -1.27 -0.58 116.57 119.92 2kjb h LYS 21 Ca 0.34 -0.04 0.09 0.00 -2.81 0.00 0.00 60.65 58.23 2kjb h LYS 21 Cb 0.22 -0.17 -0.07 0.00 -1.00 0.00 0.00 32.23 31.21 2kjb h LYS 21 CO -0.19 0.49 0.59 0.00 -2.81 0.00 0.00 179.45 177.52 2kjb h ALA 22 N 1.58 1.37 -2.31 5.00 0.00 -0.49 -3.42 119.26 120.99 2kjb h ALA 22 Ca 0.44 0.01 -0.52 0.00 0.00 0.00 0.00 54.91 54.84 2kjb h ALA 22 Cb 0.61 -0.22 0.15 0.00 0.00 0.00 0.00 17.79 18.33 2kjb h ALA 22 CO -0.20 0.26 0.29 -0.51 0.00 0.00 0.00 179.25 179.10 2kjb s LEU 23 N -10.22 2.99 0.00 0.00 1.43 -0.23 -4.91 118.68 107.75 2kjb s LEU 23 Ca -0.12 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 2kjb s LEU 23 Cb 0.21 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.89 2kjb s LEU 23 CO 0.80 -2.35 0.00 0.61 0.23 0.00 0.00 176.35 175.64 2kjb n GLY 24 N -0.76 -2.24 3.63 -3.19 0.00 -1.26 -5.03 105.19 96.34 2kjb n GLY 24 Ca 0.10 0.74 -0.43 0.00 0.00 0.00 0.00 46.02 46.43 2kjb n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kjb s ASP 25 N 2.00 6.54 0.00 1.61 2.15 -1.26 -4.84 116.67 122.86 2kjb s ASP 25 Ca 0.00 1.37 0.02 0.00 0.43 0.00 0.00 52.55 54.36 2kjb s ASP 25 Cb 0.00 -2.54 0.09 0.00 -0.30 0.00 0.00 42.92 40.17 2kjb s ASP 25 CO 0.00 -1.17 0.56 -1.22 -0.17 0.00 0.00 175.17 173.17 2kjb n TYR 26 N 8.01 0.00 0.81 -5.34 4.01 -1.26 -0.87 117.16 122.53 2kjb n TYR 26 Ca 0.16 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 58.03 2kjb n TYR 26 Cb 0.46 0.00 0.32 0.00 -0.31 0.00 0.00 39.34 39.82 2kjb n TYR 26 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2kjb n ASN 27 N -0.97 0.50 0.16 7.72 5.15 -1.26 -4.11 115.26 122.45 2kjb n ASN 27 Ca 0.01 0.14 -0.14 0.00 -0.60 0.00 0.00 54.58 54.00 2kjb n ASN 27 Cb 0.01 -0.08 -0.08 0.00 -0.53 0.00 0.00 39.78 39.09 2kjb n ASN 27 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 2kjb h ARG 28 N 0.00 -0.39 -0.82 1.20 3.08 -1.40 -3.14 114.38 112.91 2kjb h ARG 28 Ca 0.00 0.03 0.20 0.00 0.07 0.00 0.00 59.98 60.27 2kjb h ARG 28 Cb 0.61 0.09 -0.14 0.00 0.08 0.00 0.00 29.97 30.61 2kjb h ARG 28 CO 0.00 -0.10 0.04 0.97 -1.07 0.00 0.00 179.97 179.81 2kjb h ILE 29 N -0.68 0.28 0.00 2.04 2.10 -1.79 -0.13 117.51 119.34 2kjb h ILE 29 Ca -0.04 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.86 2kjb h ILE 29 Cb 0.47 0.17 0.00 0.00 -1.09 0.00 0.00 36.82 36.37 2kjb h ILE 29 CO 0.07 0.02 0.00 -1.14 -1.08 0.00 0.00 178.15 176.02 2kjb n ARG 30 N -5.35 0.00 -0.25 2.19 0.63 -1.19 -0.72 116.66 111.98 2kjb n ARG 30 Ca 0.16 0.82 -0.01 0.00 -0.92 0.00 0.00 57.85 57.90 2kjb n ARG 30 Cb 0.55 -1.37 0.18 0.00 0.45 0.00 0.00 32.46 32.27 2kjb n ARG 30 CO 0.00 0.00 0.00 -0.84 -2.51 0.00 0.00 177.63 174.28 2kjb h ILE 31 N 0.00 1.22 -0.78 5.15 3.07 -1.56 -2.47 117.51 122.16 2kjb h ILE 31 Ca 0.00 -0.51 0.18 0.00 1.55 0.00 0.00 64.86 66.07 2kjb h ILE 31 Cb 0.00 0.14 -0.12 0.00 -0.27 0.00 0.00 36.82 36.57 2kjb h ILE 31 CO 0.00 0.24 0.20 -0.03 -1.05 0.00 0.00 178.15 177.51 2kjb h MET 32 N 1.08 0.27 -0.74 0.16 4.05 -0.10 0.13 114.93 119.77 2kjb h MET 32 Ca 0.28 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.69 2kjb h MET 32 Cb -0.02 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 30.69 2kjb h MET 32 CO -0.05 0.18 0.47 0.93 0.23 0.00 0.00 176.91 178.67 2kjb h GLU 33 N 0.27 0.99 -0.84 0.39 4.39 -0.43 -1.75 114.58 117.60 2kjb h GLU 33 Ca 0.45 -0.07 0.18 0.00 0.34 0.00 0.00 59.36 60.25 2kjb h GLU 33 Cb 0.80 -0.22 -0.06 0.00 -0.10 0.00 0.00 28.75 29.17 2kjb h GLU 33 CO -0.54 0.68 0.56 1.25 -1.16 0.00 0.00 179.01 179.80 2kjb h LEU 34 N 1.00 0.42 -1.20 1.33 7.12 -0.72 0.57 115.31 123.83 2kjb h LEU 34 Ca 0.27 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.31 2kjb h LEU 34 Cb -0.08 -0.05 -0.04 0.00 -0.53 0.00 0.00 40.66 39.97 2kjb h LEU 34 CO -0.05 0.19 0.45 -0.07 -0.13 0.00 0.00 178.44 178.82 2kjb h LEU 35 N 0.43 0.88 0.00 2.25 3.38 -0.95 0.39 115.31 121.68 2kjb h LEU 35 Ca 0.43 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.35 2kjb h LEU 35 Cb 1.02 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2kjb h LEU 35 CO -0.16 0.67 0.00 -0.24 0.09 0.00 0.00 178.44 178.81 2kjb n SER 36 N -4.39 0.00 -3.27 -0.43 2.88 0.20 -3.74 113.62 104.86 2kjb n SER 36 Ca 0.08 -0.92 -0.25 0.00 -1.33 0.00 0.00 58.87 56.45 2kjb n SER 36 Cb 0.06 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.45 2kjb n SER 36 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2kjb n VAL 37 N -0.85 0.14 -2.02 2.46 0.31 0.14 -5.04 118.33 113.47 2kjb n VAL 37 Ca 0.12 -4.33 0.00 0.00 -0.01 0.00 0.00 64.34 60.12 2kjb n VAL 37 Cb 0.05 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 30.99 2kjb n VAL 37 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2kjb n SER 38 N 1.31 -8.21 -4.51 4.52 7.64 -1.24 -4.89 113.62 108.24 2kjb n SER 38 Ca 0.24 1.42 -0.29 0.00 1.01 0.00 0.00 58.87 61.25 2kjb n SER 38 Cb 0.49 -4.51 0.21 0.00 -1.01 0.00 0.00 64.21 59.39 2kjb n SER 38 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2kjb s GLU 39 N -0.90 -0.34 0.26 1.43 -1.05 -1.26 -4.68 118.70 112.16 2kjb s GLU 39 Ca 0.00 0.52 -0.13 0.00 -0.15 0.00 0.00 54.97 55.21 2kjb s GLU 39 Cb 0.00 -1.65 0.05 0.00 -0.44 0.00 0.00 34.13 32.09 2kjb s GLU 39 CO 0.00 -3.25 0.65 0.00 0.95 0.00 0.00 175.26 173.61 2kjb n ALA 40 N -4.54 -1.54 -0.84 -0.84 0.00 -1.26 -5.09 120.51 106.40 2kjb n ALA 40 Ca 0.05 -0.93 -0.30 0.00 0.00 0.00 0.00 53.44 52.27 2kjb n ALA 40 Cb 0.57 0.69 0.19 0.00 0.00 0.00 0.00 19.45 20.89 2kjb n ALA 40 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2kjb s SER 41 N -2.66 2.45 0.11 0.00 1.04 -1.26 -4.67 113.70 108.71 2kjb s SER 41 Ca 0.14 1.69 -0.07 0.00 0.48 0.00 0.00 55.95 58.18 2kjb s SER 41 Cb -0.03 -2.32 -0.13 0.00 0.10 0.00 0.00 66.02 63.63 2kjb s SER 41 CO 0.08 -3.31 1.28 -0.37 0.98 0.00 0.00 173.24 171.89 2kjb h VAL 42 N -2.01 1.36 0.00 5.02 -1.51 -2.00 -3.25 116.25 113.86 2kjb h VAL 42 Ca -0.52 -2.37 0.00 0.00 -1.23 0.00 0.00 66.70 62.58 2kjb h VAL 42 Cb 1.30 2.39 0.00 0.00 -2.13 0.00 0.00 31.29 32.84 2kjb h VAL 42 CO 0.50 0.72 0.00 0.61 -1.23 0.00 0.00 177.57 178.16 2kjb n GLY 43 N 0.97 -0.07 0.37 5.19 0.00 -1.26 -3.97 105.19 106.41 2kjb n GLY 43 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 2kjb n GLY 43 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kjb n HIS 44 N -1.68 0.05 -0.42 1.61 -0.00 -1.26 0.16 115.22 113.68 2kjb n HIS 44 Ca 0.00 1.18 0.35 0.00 -0.00 0.00 0.00 57.72 59.25 2kjb n HIS 44 Cb 0.00 -0.87 0.67 0.00 -0.00 0.00 0.00 29.99 29.79 2kjb n HIS 44 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.34 177.31 2kjb h ILE 45 N 0.00 0.29 0.00 3.57 2.10 -1.76 -0.75 117.51 120.96 2kjb h ILE 45 Ca 0.34 -0.04 -0.02 0.00 1.08 0.00 0.00 64.86 66.22 2kjb h ILE 45 Cb 0.58 0.16 -0.00 0.00 -1.09 0.00 0.00 36.82 36.46 2kjb h ILE 45 CO -0.95 0.02 -0.15 0.77 -1.08 0.00 0.00 178.15 176.76 2kjb h SER 46 N 0.12 0.00 -0.56 2.19 4.64 0.14 -3.10 113.55 116.98 2kjb h SER 46 Ca 0.70 -0.38 0.11 0.00 -0.47 0.00 0.00 61.79 61.76 2kjb h SER 46 Cb 2.40 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 64.38 2kjb h SER 46 CO -0.20 0.77 -0.15 -0.74 -0.87 0.00 0.00 176.83 175.64 2kjb h HIS 47 N -1.00 -0.34 0.13 4.77 -0.00 -0.49 0.10 115.15 118.32 2kjb h HIS 47 Ca -0.03 0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 2kjb h HIS 47 Cb 0.49 0.24 0.00 0.00 -0.00 0.00 0.00 27.41 28.14 2kjb h HIS 47 CO 0.08 -0.25 -0.06 0.37 -0.00 0.00 0.00 177.93 178.06 2kjb h GLN 48 N -0.01 -0.17 0.00 5.26 -0.00 -1.35 -1.32 115.11 117.52 2kjb h GLN 48 Ca 0.27 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.93 2kjb h GLN 48 Cb 0.43 0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.94 2kjb h GLN 48 CO -0.59 -0.09 0.00 -0.11 0.00 0.00 0.00 178.83 178.04 2kjb n LEU 49 N -5.15 0.00 -2.75 -2.39 0.00 -0.72 -4.89 117.00 101.10 2kjb n LEU 49 Ca -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 56.01 55.88 2kjb n LEU 49 Cb 0.10 0.00 0.01 0.00 0.00 0.00 0.00 43.42 43.53 2kjb n LEU 49 CO 0.34 0.00 0.12 -3.20 0.00 0.00 0.00 177.39 174.65 2kjb n ASN 50 N -0.97 -7.26 -3.79 1.96 2.85 0.28 -5.05 115.26 103.29 2kjb n ASN 50 Ca 0.12 0.32 -0.13 0.00 -0.11 0.00 0.00 54.58 54.78 2kjb n ASN 50 Cb 0.05 -4.90 -0.10 0.00 1.24 0.00 0.00 39.78 36.08 2kjb n ASN 50 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2kjb s LEU 51 N -2.83 1.02 -0.16 1.20 2.96 -0.73 -5.00 118.68 115.14 2kjb s LEU 51 Ca 0.16 0.16 -0.29 0.00 -0.22 0.00 0.00 54.13 53.94 2kjb s LEU 51 Cb -0.04 1.06 -0.00 0.00 0.50 0.00 0.00 46.19 47.70 2kjb s LEU 51 CO 0.68 -0.33 1.00 -0.44 -1.32 0.00 0.00 176.35 175.94 2kjb s SER 52 N -0.93 7.16 0.00 3.68 0.01 -1.26 -4.32 113.70 118.04 2kjb s SER 52 Ca -0.10 1.44 0.07 0.00 1.31 0.00 0.00 55.95 58.66 2kjb s SER 52 Cb -0.05 -2.54 0.38 0.00 0.21 0.00 0.00 66.02 64.02 2kjb s SER 52 CO 0.03 -0.53 0.89 0.00 0.41 0.00 0.00 173.24 174.04 2kjb n GLN 53 N 5.53 0.18 -0.03 12.44 1.13 -1.26 -2.63 117.38 132.74 2kjb n GLN 53 Ca 0.10 0.04 -0.13 0.00 -1.94 0.00 0.00 57.00 55.07 2kjb n GLN 53 Cb 0.48 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 29.25 2kjb n GLN 53 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2kjb h SER 54 N 0.00 0.15 0.55 1.08 0.87 -2.03 -3.29 113.55 110.87 2kjb h SER 54 Ca 0.00 -0.39 -0.29 0.00 -1.23 0.00 0.00 61.79 59.88 2kjb h SER 54 Cb 0.01 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 2kjb h SER 54 CO 0.00 0.50 -1.37 0.78 -0.53 0.00 0.00 176.83 176.21 2kjb h ASN 55 N -0.20 0.41 0.00 6.23 4.21 -1.93 -3.39 115.58 120.90 2kjb h ASN 55 Ca 0.02 -0.49 0.00 0.00 1.21 0.00 0.00 56.30 57.04 2kjb h ASN 55 Cb 0.44 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 2kjb h ASN 55 CO 0.01 1.39 0.00 0.52 -1.29 0.00 0.00 177.43 178.06 2kjb n VAL 56 N -3.49 0.00 -0.31 2.81 0.31 -1.22 0.24 118.33 116.67 2kjb n VAL 56 Ca -0.12 1.11 0.07 0.00 -0.01 0.00 0.00 64.34 65.39 2kjb n VAL 56 Cb 1.03 -1.62 0.16 0.00 -0.91 0.00 0.00 33.84 32.50 2kjb n VAL 56 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2kjb n SER 57 N -1.43 -0.25 0.18 4.52 7.64 -1.25 0.25 113.62 123.28 2kjb n SER 57 Ca 0.00 1.48 0.06 0.00 1.01 0.00 0.00 58.87 61.41 2kjb n SER 57 Cb 0.00 -0.47 0.23 0.00 -1.01 0.00 0.00 64.21 62.96 2kjb n SER 57 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2kjb h HIS 58 N 0.00 0.00 0.51 1.43 6.17 -1.52 -3.23 115.15 118.51 2kjb h HIS 58 Ca 0.44 0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.50 2kjb h HIS 58 Cb 0.75 0.00 0.01 0.00 2.52 0.00 0.00 27.41 30.68 2kjb h HIS 58 CO -0.60 0.38 -0.25 0.37 0.71 0.00 0.00 177.93 178.54 2kjb h GLN 59 N 0.00 -0.66 -0.62 5.26 4.15 1.73 -3.26 115.11 121.71 2kjb h GLN 59 Ca -0.00 0.05 0.13 0.00 0.77 0.00 0.00 58.65 59.59 2kjb h GLN 59 Cb 1.07 0.15 -0.10 0.00 0.21 0.00 0.00 27.48 28.81 2kjb h GLN 59 CO 0.05 -0.37 0.08 -0.07 -1.93 0.00 0.00 178.83 176.59 2kjb h LEU 60 N -1.09 -0.11 -0.90 -2.39 3.38 -1.28 -2.38 115.31 110.55 2kjb h LEU 60 Ca -0.07 0.13 0.11 0.00 0.09 0.00 0.00 57.88 58.15 2kjb h LEU 60 Cb 0.59 0.21 -0.13 0.00 0.09 0.00 0.00 40.66 41.42 2kjb h LEU 60 CO 0.12 -0.05 -0.42 1.17 0.09 0.00 0.00 178.44 179.34 2kjb n LYS 61 N -5.20 -0.29 -0.02 1.13 4.81 -1.22 0.20 118.16 117.58 2kjb n LYS 61 Ca 0.10 1.37 0.14 0.00 -0.87 0.00 0.00 58.31 59.04 2kjb n LYS 61 Cb 0.36 -2.02 0.57 0.00 0.02 0.00 0.00 35.03 33.96 2kjb n LYS 61 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2kjb h LEU 62 N 0.00 0.22 0.12 3.14 5.85 -1.50 -0.56 115.31 122.58 2kjb h LEU 62 Ca 0.24 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 2kjb h LEU 62 Cb 0.47 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2kjb h LEU 62 CO -0.87 0.13 -0.06 -0.07 -0.34 0.00 0.00 178.44 177.23 2kjb h LEU 63 N 0.24 -0.14 0.00 2.25 3.38 0.24 -3.21 115.31 118.07 2kjb h LEU 63 Ca 0.24 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2kjb h LEU 63 Cb 0.61 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2kjb h LEU 63 CO -0.05 0.48 0.00 2.29 0.09 0.00 0.00 178.44 181.25 2kjb n LYS 64 N -4.86 0.48 -0.04 1.13 2.85 0.32 -1.40 118.16 116.65 2kjb n LYS 64 Ca -0.07 0.01 -0.05 0.00 -1.05 0.00 0.00 58.31 57.15 2kjb n LYS 64 Cb 0.26 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.10 2kjb n LYS 64 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2kjb h SER 65 N 0.00 -0.04 -0.73 -5.58 4.64 -1.11 -3.36 113.55 107.37 2kjb h SER 65 Ca 0.00 -0.31 -0.45 0.00 -0.47 0.00 0.00 61.79 60.56 2kjb h SER 65 Cb 0.01 0.01 -0.22 0.00 -0.31 0.00 0.00 62.40 61.89 2kjb h SER 65 CO 0.00 0.60 0.57 1.33 -0.87 0.00 0.00 176.83 178.47 2kjb n VAL 66 N -4.76 2.95 -1.80 0.95 0.24 -1.20 -4.84 118.33 109.86 2kjb n VAL 66 Ca -0.04 -1.90 -0.21 0.00 -2.04 0.00 0.00 64.34 60.15 2kjb n VAL 66 Cb 0.17 -0.98 -0.07 0.00 -1.47 0.00 0.00 33.84 31.49 2kjb n VAL 66 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2kjb n HIS 67 N -0.45 -0.24 0.30 6.34 -0.00 -1.24 -4.83 115.22 115.09 2kjb n HIS 67 Ca 0.45 0.00 0.15 0.00 0.46 0.00 0.00 57.72 58.78 2kjb n HIS 67 Cb 0.94 -3.59 0.55 0.00 -0.12 0.00 0.00 29.99 27.76 2kjb n HIS 67 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2kjb h LEU 68 N 0.00 0.00 -7.37 0.27 6.46 -1.54 -3.44 115.31 109.69 2kjb h LEU 68 Ca -0.44 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.21 2kjb h LEU 68 Cb 1.36 0.00 -0.20 0.00 -0.73 0.00 0.00 40.66 41.09 2kjb h LEU 68 CO 0.61 0.00 -0.16 0.68 -0.62 0.00 0.00 178.44 178.96 2kjb s VAL 69 N -3.51 0.04 -0.23 1.05 -7.23 -1.21 -4.90 120.40 104.41 2kjb s VAL 69 Ca 0.03 -0.33 -0.14 0.00 -1.81 0.00 0.00 61.98 59.74 2kjb s VAL 69 Cb 0.08 -0.71 -0.04 0.00 0.56 0.00 0.00 36.38 36.27 2kjb s VAL 69 CO 0.55 -0.18 0.31 -0.75 -0.31 0.00 0.00 175.10 174.71 2kjb s LYS 70 N -1.18 4.11 0.46 4.82 2.20 0.23 -4.53 119.74 125.85 2kjb s LYS 70 Ca -0.12 0.00 -0.04 0.00 -0.36 0.00 0.00 55.97 55.45 2kjb s LYS 70 Cb -0.04 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.70 2kjb s LYS 70 CO 0.05 -0.04 0.75 0.00 -0.36 0.00 0.00 175.35 175.75 2kjb s ALA 71 N 1.33 3.47 -0.18 3.13 0.00 -1.26 -1.96 121.76 126.29 2kjb s ALA 71 Ca 0.14 -0.63 -0.11 0.00 0.00 0.00 0.00 51.96 51.36 2kjb s ALA 71 Cb -0.14 -2.48 0.06 0.00 0.00 0.00 0.00 23.12 20.56 2kjb s ALA 71 CO 0.07 -0.33 0.45 0.21 0.00 0.00 0.00 175.76 176.16 2kjb s LYS 72 N -4.68 0.45 -0.05 0.00 2.20 -1.15 -4.97 119.74 111.54 2kjb s LYS 72 Ca 0.47 0.81 -0.01 0.00 -0.36 0.00 0.00 55.97 56.88 2kjb s LYS 72 Cb -0.10 0.04 0.03 0.00 -1.51 0.00 0.00 37.83 36.29 2kjb s LYS 72 CO 0.43 -0.14 0.03 1.03 -0.36 0.00 0.00 175.35 176.33 2kjb s ARG 73 N 1.24 0.25 -0.51 4.03 0.52 -1.26 -2.06 118.95 121.16 2kjb s ARG 73 Ca -0.08 0.22 0.06 0.00 -0.52 0.00 0.00 55.73 55.42 2kjb s ARG 73 Cb -0.07 -0.68 0.20 0.00 0.52 0.00 0.00 34.95 34.91 2kjb s ARG 73 CO -0.11 -0.29 0.76 0.94 0.02 0.00 0.00 175.30 176.62 2kjb n GLN 74 N 5.05 0.55 0.00 3.54 7.27 -1.26 -4.99 117.38 127.54 2kjb n GLN 74 Ca -0.08 -1.97 0.00 0.00 0.07 0.00 0.00 57.00 55.02 2kjb n GLN 74 Cb 0.50 -1.42 0.00 0.00 2.41 0.00 0.00 30.24 31.73 2kjb n GLN 74 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kjb n GLY 75 N 2.79 1.57 0.80 1.69 0.00 -1.26 -4.96 105.19 105.82 2kjb n GLY 75 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kjb n GLY 75 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kjb n GLN 76 N 0.00 0.00 0.00 1.61 7.27 -1.26 -5.15 117.38 119.85 2kjb n GLN 76 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2kjb n GLN 76 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 2kjb n GLN 76 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2kjb n SER 77 N -2.80 -1.32 -3.45 1.69 7.64 -1.26 -5.05 113.62 109.06 2kjb n SER 77 Ca 0.00 -0.13 -0.22 0.00 1.01 0.00 0.00 58.87 59.53 2kjb n SER 77 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 2kjb n SER 77 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2kjb s MET 78 N -2.38 0.30 -0.59 1.43 -1.94 -1.26 -4.49 119.30 110.36 2kjb s MET 78 Ca 0.00 -0.38 -0.23 0.00 -1.71 0.00 0.00 55.69 53.37 2kjb s MET 78 Cb 0.00 -0.88 0.05 0.00 2.01 0.00 0.00 34.83 36.01 2kjb s MET 78 CO 0.00 -1.04 0.93 0.42 -0.01 0.00 0.00 175.02 175.31 2kjb s ILE 79 N 2.16 4.40 0.02 2.53 1.01 -0.87 -4.54 121.20 125.91 2kjb s ILE 79 Ca 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.68 2kjb s ILE 79 Cb -0.15 -4.57 -0.05 0.00 0.01 0.00 0.00 42.46 37.70 2kjb s ILE 79 CO -0.32 -1.22 0.27 -0.72 0.00 0.00 0.00 174.94 172.95 2kjb s TYR 80 N 3.90 3.56 0.33 3.97 1.13 -1.26 -2.95 117.35 126.02 2kjb s TYR 80 Ca 0.26 0.53 -0.12 0.00 -1.41 0.00 0.00 57.07 56.33 2kjb s TYR 80 Cb -0.15 -1.96 0.05 0.00 -1.10 0.00 0.00 41.96 38.80 2kjb s TYR 80 CO 0.15 0.60 0.65 0.45 -2.51 0.00 0.00 175.55 174.90 2kjb n SER 81 N 0.96 -1.90 -3.21 -0.18 2.88 -0.83 -4.80 113.62 106.54 2kjb n SER 81 Ca -0.10 -2.34 0.00 0.00 -1.33 0.00 0.00 58.87 55.10 2kjb n SER 81 Cb 0.53 3.18 0.00 0.00 -0.75 0.00 0.00 64.21 67.16 2kjb n SER 81 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2kjb n LEU 82 N 0.00 0.00 0.00 2.46 4.77 -1.26 -0.60 117.00 122.36 2kjb n LEU 82 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2kjb n LEU 82 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2kjb n LEU 82 CO 0.23 -0.09 0.00 -0.90 -1.33 0.00 0.00 177.39 175.30 2kjb n ASP 83 N 0.00 0.00 -4.73 -1.43 5.75 -1.26 -4.24 116.55 110.64 2kjb n ASP 83 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 54.79 54.46 2kjb n ASP 83 Cb 0.00 0.03 0.11 0.00 -1.03 0.00 0.00 41.12 40.23 2kjb n ASP 83 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2kjb s ASP 84 N -1.19 4.02 -0.01 -1.12 2.15 -1.26 -4.97 116.67 114.30 2kjb s ASP 84 Ca 0.00 2.10 0.10 0.00 0.43 0.00 0.00 52.55 55.17 2kjb s ASP 84 Cb 0.00 -2.56 -0.13 0.00 -0.30 0.00 0.00 42.92 39.93 2kjb s ASP 84 CO 0.00 -2.37 0.28 2.30 -0.17 0.00 0.00 175.17 175.21 2kjb n ILE 85 N -3.38 0.00 -0.02 4.11 -5.35 -1.26 -4.60 119.36 108.85 2kjb n ILE 85 Ca 0.11 -0.24 -0.02 0.00 -0.27 0.00 0.00 62.75 62.33 2kjb n ILE 85 Cb 0.52 0.53 -0.01 0.00 -1.74 0.00 0.00 39.64 38.94 2kjb n ILE 85 CO 0.00 0.00 0.00 -0.74 -1.76 0.00 0.00 176.55 174.05 2kjb h HIS 86 N 0.00 -0.06 -0.96 4.28 2.76 -1.98 -3.02 115.15 116.17 2kjb h HIS 86 Ca 0.00 -0.00 0.30 0.00 -2.20 0.00 0.00 60.37 58.47 2kjb h HIS 86 Cb 0.37 0.02 -0.15 0.00 1.55 0.00 0.00 27.41 29.19 2kjb h HIS 86 CO 0.00 0.02 0.40 -0.24 -1.30 0.00 0.00 177.93 176.81 2kjb h VAL 87 N -1.01 0.24 -0.37 5.26 3.04 -1.99 0.78 116.25 122.20 2kjb h VAL 87 Ca -0.01 -0.07 -0.15 0.00 -1.01 0.00 0.00 66.70 65.46 2kjb h VAL 87 Cb 0.10 0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 29.38 2kjb h VAL 87 CO 0.01 0.04 -0.36 0.00 -1.01 0.00 0.00 177.57 176.25 2kjb h ALA 88 N 1.86 0.66 -0.01 3.17 0.00 -1.82 -2.98 119.26 120.14 2kjb h ALA 88 Ca 0.67 -0.44 -0.21 0.00 0.00 0.00 0.00 54.91 54.93 2kjb h ALA 88 Cb 1.50 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 2kjb h ALA 88 CO -0.67 0.67 -0.87 1.15 0.00 0.00 0.00 179.25 179.53 2kjb h THR 89 N 0.71 1.44 -0.06 0.00 2.02 -0.05 -2.95 112.91 114.02 2kjb h THR 89 Ca 0.06 -2.46 -0.03 0.00 0.77 0.00 0.00 66.41 64.76 2kjb h THR 89 Cb 0.93 2.38 -0.01 0.00 -1.74 0.00 0.00 68.15 69.72 2kjb h THR 89 CO 0.09 0.73 -0.08 -0.03 0.37 0.00 0.00 175.52 176.59 2kjb h MET 90 N 0.18 0.09 0.02 6.66 -1.53 0.34 -2.85 114.93 117.85 2kjb h MET 90 Ca -0.06 -0.01 -0.05 0.00 -3.44 0.00 0.00 59.70 56.14 2kjb h MET 90 Cb 1.49 -0.02 0.01 0.00 -0.55 0.00 0.00 31.60 32.53 2kjb h MET 90 CO 0.14 0.18 -0.22 -0.07 0.14 0.00 0.00 176.91 177.08 2kjb h LEU 91 N 0.09 0.17 0.00 3.39 3.38 -1.49 -3.13 115.31 117.72 2kjb h LEU 91 Ca 0.02 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.14 2kjb h LEU 91 Cb 0.21 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2kjb h LEU 91 CO 0.01 1.00 0.00 1.17 0.09 0.00 0.00 178.44 180.71 2kjb n LYS 92 N -4.52 0.00 0.21 1.13 4.81 -1.08 -0.72 118.16 118.00 2kjb n LYS 92 Ca -0.10 0.82 0.12 0.00 -0.87 0.00 0.00 58.31 58.28 2kjb n LYS 92 Cb 0.52 -1.38 0.69 0.00 0.02 0.00 0.00 35.03 34.88 2kjb n LYS 92 CO 0.00 0.00 0.00 -0.56 1.17 0.00 0.00 177.40 178.01 2kjb h GLN 93 N 0.00 0.00 0.73 1.64 3.07 -1.73 -1.17 115.11 117.65 2kjb h GLN 93 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.70 2kjb h GLN 93 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.57 2kjb h GLN 93 CO 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 178.83 178.57 2kjb h ALA 94 N 1.93 -0.99 0.00 0.06 0.00 -1.06 -3.09 119.26 116.10 2kjb h ALA 94 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2kjb h ALA 94 Cb 0.24 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2kjb h ALA 94 CO -0.00 -0.92 0.00 0.44 0.00 0.00 0.00 179.25 178.77 2kjb n ILE 95 N -5.40 0.06 0.09 0.00 -5.35 0.11 -3.04 119.36 105.83 2kjb n ILE 95 Ca -0.12 0.01 -0.15 0.00 -0.27 0.00 0.00 62.75 62.22 2kjb n ILE 95 Cb 0.39 -0.57 -0.11 0.00 -1.74 0.00 0.00 39.64 37.61 2kjb n ILE 95 CO 0.00 0.00 0.00 -0.74 -1.76 0.00 0.00 176.55 174.05 2kjb h HIS 96 N 0.00 0.52 0.16 4.28 2.76 -1.14 -3.33 115.15 118.39 2kjb h HIS 96 Ca 0.00 -0.35 -0.28 0.00 -2.20 0.00 0.00 60.37 57.54 2kjb h HIS 96 Cb 0.11 -0.03 0.01 0.00 1.55 0.00 0.00 27.41 29.05 2kjb h HIS 96 CO 0.00 1.23 -1.35 1.25 -1.30 0.00 0.00 177.93 177.76 2kjb h HIS 97 N 0.12 0.60 -5.82 5.26 -0.00 -1.47 -3.50 115.15 110.35 2kjb h HIS 97 Ca -0.12 -0.44 -0.12 0.00 -0.00 0.00 0.00 60.37 59.70 2kjb h HIS 97 Cb 1.84 -0.02 0.01 0.00 -0.00 0.00 0.00 27.41 29.24 2kjb h HIS 97 CO 0.06 1.52 -0.90 0.00 -0.00 0.00 0.00 177.93 178.62 2kjb n ALA 98 N -2.84 -2.73 -0.77 5.26 0.00 -1.18 -4.94 120.51 113.31 2kjb n ALA 98 Ca -0.21 0.60 -0.29 0.00 0.00 0.00 0.00 53.44 53.54 2kjb n ALA 98 Cb 0.95 -2.24 0.24 0.00 0.00 0.00 0.00 19.45 18.40 2kjb n ALA 98 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2kjb s ASN 99 N -1.81 0.73 -0.18 0.00 2.47 -1.26 -5.08 114.94 109.82 2kjb s ASN 99 Ca 0.20 1.04 -0.30 0.00 0.42 0.00 0.00 52.86 54.21 2kjb s ASN 99 Cb -0.04 -1.56 0.14 0.00 -1.45 0.00 0.00 41.25 38.35 2kjb s ASN 99 CO 0.68 -4.29 1.08 -1.38 -3.72 0.00 0.00 177.10 169.47 2kjb s HIS 100 N -2.66 -0.28 0.12 0.43 -3.43 -1.26 -5.14 115.29 103.06 2kjb s HIS 100 Ca 0.68 0.45 -0.28 0.00 -0.80 0.00 0.00 55.06 55.12 2kjb s HIS 100 Cb -0.17 0.47 -0.16 0.00 -1.43 0.00 0.00 32.58 31.29 2kjb s HIS 100 CO 0.59 -0.28 0.61 -2.30 -2.00 0.00 0.00 174.74 171.36 2kjb n PRO 101 N 0.59 0.00 -1.56 -0.38 -0.02 -1.26 -4.68 135.00 127.69 2kjb n PRO 101 Ca -0.07 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.01 2kjb n PRO 101 Cb 0.58 -1.01 -0.04 0.00 -0.02 0.00 0.00 33.50 33.02 2kjb n PRO 101 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2kjb n LYS 102 N 1.01 1.34 -0.33 -0.52 5.02 -1.26 -5.33 118.16 118.09 2kjb n LYS 102 Ca 0.16 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 2kjb n LYS 102 Cb 0.17 -3.25 0.00 0.00 -0.02 0.00 0.00 35.03 31.93 2kjb n LYS 102 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27