#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 0.00 -0.14 3.41 -1.04 -1.26 -4.76 114.28 110.48 2kjb n THR 10 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 2kjb n THR 10 Cb 0.00 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 68.58 2kjb n THR 10 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 2kjb h ASP 11 N 0.00 0.90 -0.09 8.00 2.03 -2.07 -2.74 116.42 122.45 2kjb h ASP 11 Ca 0.00 -0.28 -0.15 0.00 -0.73 0.00 0.00 57.03 55.87 2kjb h ASP 11 Cb 0.00 -0.24 0.01 0.00 -0.83 0.00 0.00 39.33 38.26 2kjb h ASP 11 CO 0.00 1.02 -0.52 0.00 -1.03 0.00 0.00 179.24 178.71 2kjb h THR 12 N 0.81 1.37 -0.52 1.15 1.03 -2.01 -3.26 112.91 111.49 2kjb h THR 12 Ca 0.13 -1.85 0.10 0.00 -0.01 0.00 0.00 66.41 64.78 2kjb h THR 12 Cb 0.63 2.23 -0.10 0.00 -1.07 0.00 0.00 68.15 69.84 2kjb h THR 12 CO 0.04 0.56 -0.18 0.25 -0.01 0.00 0.00 175.52 176.17 2kjb h LEU 13 N 0.10 -0.65 -0.88 0.00 7.12 -1.84 0.24 115.31 119.40 2kjb h LEU 13 Ca -0.04 0.17 0.22 0.00 0.13 0.00 0.00 57.88 58.36 2kjb h LEU 13 Cb 1.17 0.38 -0.12 0.00 -0.53 0.00 0.00 40.66 41.56 2kjb h LEU 13 CO 0.11 -0.22 0.36 -0.08 -0.13 0.00 0.00 178.44 178.48 2kjb h GLU 14 N -0.06 0.36 -0.87 1.25 4.22 -1.53 0.39 114.58 118.34 2kjb h GLU 14 Ca 0.25 -0.02 0.08 0.00 0.08 0.00 0.00 59.36 59.74 2kjb h GLU 14 Cb 0.44 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.54 2kjb h GLU 14 CO -0.57 0.24 0.53 -0.09 -2.18 0.00 0.00 179.01 176.95 2kjb h ARG 15 N 0.37 0.91 0.00 1.92 2.43 -0.57 0.24 114.38 119.69 2kjb h ARG 15 Ca 0.55 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.64 2kjb h ARG 15 Cb 1.04 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2kjb h ARG 15 CO -0.54 0.60 -0.10 0.28 -1.51 0.00 0.00 179.97 178.71 2kjb h VAL 16 N 0.94 0.42 0.00 0.20 2.07 0.09 -0.04 116.25 119.93 2kjb h VAL 16 Ca 0.40 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2kjb h VAL 16 Cb 0.25 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2kjb h VAL 16 CO -0.20 0.10 -0.30 0.41 0.02 0.00 0.00 177.57 177.59 2kjb n THR 17 N -3.47 0.43 0.09 2.57 -1.04 0.72 -3.66 114.28 109.91 2kjb n THR 17 Ca -0.01 -0.25 -0.22 0.00 -2.04 0.00 0.00 64.05 61.53 2kjb n THR 17 Cb 0.24 -0.34 -0.13 0.00 -1.82 0.00 0.00 70.33 68.29 2kjb n THR 17 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2kjb h GLU 18 N 0.00 0.61 -0.63 -2.82 4.57 0.35 -1.75 114.58 114.92 2kjb h GLU 18 Ca 0.00 -0.82 -0.05 0.00 -1.18 0.00 0.00 59.36 57.31 2kjb h GLU 18 Cb 0.72 0.27 -0.03 0.00 -0.16 0.00 0.00 28.75 29.55 2kjb h GLU 18 CO 0.00 1.37 0.18 -0.84 -1.18 0.00 0.00 179.01 178.54 2kjb h ILE 19 N 0.27 1.24 -0.07 2.32 3.07 -1.59 0.12 117.51 122.87 2kjb h ILE 19 Ca -0.19 -0.85 -0.19 0.00 1.55 0.00 0.00 64.86 65.19 2kjb h ILE 19 Cb 1.92 0.57 0.01 0.00 -0.27 0.00 0.00 36.82 39.05 2kjb h ILE 19 CO 0.24 0.32 -0.70 -0.26 -1.05 0.00 0.00 178.15 176.70 2kjb h PHE 20 N 0.93 0.83 -0.34 0.16 0.04 -1.65 -3.20 116.94 113.71 2kjb h PHE 20 Ca 0.20 -0.41 -0.03 0.00 2.80 0.00 0.00 57.97 60.54 2kjb h PHE 20 Cb 0.29 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 2kjb h PHE 20 CO 0.02 1.22 0.10 -0.22 -0.60 0.00 0.00 178.31 178.82 2kjb h LYS 21 N 0.21 0.49 -0.73 1.51 3.64 -1.07 -2.58 116.57 118.04 2kjb h LYS 21 Ca -0.07 -0.07 0.12 0.00 -1.27 0.00 0.00 60.65 59.36 2kjb h LYS 21 Cb 1.36 -0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 33.01 2kjb h LYS 21 CO 0.14 0.45 0.33 0.00 -2.27 0.00 0.00 179.45 178.09 2kjb h ALA 22 N 1.62 1.03 -1.97 5.00 0.00 -0.75 -3.42 119.26 120.76 2kjb h ALA 22 Ca 0.12 0.09 -0.61 0.00 0.00 0.00 0.00 54.91 54.51 2kjb h ALA 22 Cb 0.17 0.03 0.15 0.00 0.00 0.00 0.00 17.79 18.13 2kjb h ALA 22 CO -0.01 -0.14 -0.44 1.28 0.00 0.00 0.00 179.25 179.95 2kjb n LEU 23 N -4.94 -0.26 -3.53 0.00 4.77 -0.97 -4.98 117.00 107.08 2kjb n LEU 23 Ca 0.13 0.91 -0.07 0.00 -0.03 0.00 0.00 56.01 56.95 2kjb n LEU 23 Cb 0.35 -1.09 -0.02 0.00 -2.33 0.00 0.00 43.42 40.33 2kjb n LEU 23 CO 0.21 -2.97 0.72 -0.83 -1.33 0.00 0.00 177.39 173.20 2kjb s GLY 24 N -0.94 -0.43 0.55 -0.72 0.00 -1.26 -5.08 107.32 99.44 2kjb s GLY 24 Ca 0.63 0.99 0.00 0.00 0.00 0.00 0.00 44.72 46.34 2kjb s GLY 24 CO 0.58 0.32 0.00 1.22 0.00 0.00 0.00 173.10 175.23 2kjb n ASP 25 N -0.25 -8.33 -0.14 1.64 8.00 -1.26 -4.55 116.55 111.66 2kjb n ASP 25 Ca -0.08 1.23 -0.26 0.00 0.71 0.00 0.00 54.79 56.39 2kjb n ASP 25 Cb 0.61 -4.86 -0.10 0.00 -0.02 0.00 0.00 41.12 36.75 2kjb n ASP 25 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2kjb n TYR 26 N -4.34 0.00 0.28 1.24 4.01 -1.26 -4.33 117.16 112.77 2kjb n TYR 26 Ca -0.07 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.69 2kjb n TYR 26 Cb 0.69 -0.98 0.09 0.00 -0.31 0.00 0.00 39.34 38.82 2kjb n TYR 26 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2kjb n ASN 27 N -3.95 0.00 0.24 7.72 5.03 -1.26 -2.22 115.26 120.81 2kjb n ASN 27 Ca -0.52 -0.19 0.16 0.00 0.87 0.00 0.00 54.58 54.90 2kjb n ASN 27 Cb 0.91 0.00 0.62 0.00 -1.02 0.00 0.00 39.78 40.29 2kjb n ASN 27 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 2kjb h ARG 28 N 0.00 0.00 0.00 3.52 2.43 -1.80 -2.80 114.38 115.72 2kjb h ARG 28 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2kjb h ARG 28 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2kjb h ARG 28 CO 0.00 0.00 -0.04 0.82 -1.51 0.00 0.00 179.97 179.24 2kjb h ILE 29 N 0.00 0.00 -0.63 1.20 2.04 -1.77 -3.30 117.51 115.05 2kjb h ILE 29 Ca 0.00 -0.26 0.11 0.00 1.00 0.00 0.00 64.86 65.71 2kjb h ILE 29 Cb 0.49 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.49 2kjb h ILE 29 CO 0.00 0.00 0.17 0.08 0.00 0.00 0.00 178.15 178.40 2kjb h ARG 30 N -0.26 0.31 -0.68 2.37 0.11 -1.79 -1.13 114.38 113.31 2kjb h ARG 30 Ca 0.00 -0.02 0.12 0.00 0.10 0.00 0.00 59.98 60.18 2kjb h ARG 30 Cb 0.04 -0.07 -0.08 0.00 1.11 0.00 0.00 29.97 30.97 2kjb h ARG 30 CO 0.00 0.20 0.25 0.97 0.10 0.00 0.00 179.97 181.49 2kjb h ILE 31 N 0.32 0.71 -0.32 0.08 2.10 -1.70 0.17 117.51 118.86 2kjb h ILE 31 Ca 0.33 -0.14 -0.04 0.00 1.08 0.00 0.00 64.86 66.09 2kjb h ILE 31 Cb 0.48 0.26 -0.02 0.00 -1.09 0.00 0.00 36.82 36.45 2kjb h ILE 31 CO -0.39 0.08 0.04 0.24 -1.08 0.00 0.00 178.15 177.03 2kjb h MET 32 N 0.41 0.47 0.02 2.19 2.86 -1.31 -2.56 114.93 117.02 2kjb h MET 32 Ca 0.36 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 2kjb h MET 32 Cb 0.50 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 2kjb h MET 32 CO -0.36 0.48 -0.07 1.49 1.06 0.00 0.00 176.91 179.50 2kjb h GLU 33 N 0.46 -0.10 -0.51 1.72 4.22 0.07 1.05 114.58 121.49 2kjb h GLU 33 Ca 0.11 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.56 2kjb h GLU 33 Cb 0.25 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2kjb h GLU 33 CO 0.00 -0.07 0.33 1.25 -2.18 0.00 0.00 179.01 178.34 2kjb h LEU 34 N -0.11 0.59 -0.87 1.64 5.85 -1.56 -1.54 115.31 119.33 2kjb h LEU 34 Ca -0.00 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 2kjb h LEU 34 Cb 0.11 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2kjb h LEU 34 CO -0.04 0.44 -0.21 0.25 -0.34 0.00 0.00 178.44 178.54 2kjb h LEU 35 N 0.70 0.60 -2.01 2.25 7.12 -1.08 -1.85 115.31 121.04 2kjb h LEU 35 Ca 0.19 -0.20 0.00 0.00 0.13 0.00 0.00 57.88 58.00 2kjb h LEU 35 Cb -0.06 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 39.90 2kjb h LEU 35 CO -0.04 0.81 0.21 -1.28 -0.13 0.00 0.00 178.44 178.01 2kjb h SER 36 N 0.53 0.00 -1.02 1.25 0.87 0.22 -3.09 113.55 112.31 2kjb h SER 36 Ca 0.08 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.27 2kjb h SER 36 Cb 0.66 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 62.37 2kjb h SER 36 CO 0.05 0.00 -0.76 0.52 -0.53 0.00 0.00 176.83 176.11 2kjb n VAL 37 N -2.73 -0.36 -3.59 2.23 0.31 -0.73 -5.05 118.33 108.41 2kjb n VAL 37 Ca -0.02 -2.54 -0.04 0.00 -0.01 0.00 0.00 64.34 61.73 2kjb n VAL 37 Cb 0.25 -0.08 -0.02 0.00 -0.91 0.00 0.00 33.84 33.08 2kjb n VAL 37 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2kjb s SER 38 N -1.13 -0.16 -0.15 4.52 0.15 -0.99 -4.90 113.70 111.03 2kjb s SER 38 Ca 0.33 -0.05 -0.04 0.00 0.70 0.00 0.00 55.95 56.89 2kjb s SER 38 Cb 0.17 0.21 0.07 0.00 -1.71 0.00 0.00 66.02 64.76 2kjb s SER 38 CO -0.18 -0.35 0.18 -1.61 1.20 0.00 0.00 173.24 172.49 2kjb s GLU 39 N -2.59 0.11 0.29 5.44 8.01 -1.26 -4.88 118.70 123.82 2kjb s GLU 39 Ca 0.10 0.33 -0.12 0.00 0.01 0.00 0.00 54.97 55.29 2kjb s GLU 39 Cb 0.00 -0.89 0.05 0.00 -4.31 0.00 0.00 34.13 28.98 2kjb s GLU 39 CO -0.05 -0.51 0.61 0.00 0.01 0.00 0.00 175.26 175.33 2kjb n ALA 40 N 5.32 -1.40 -1.50 5.21 0.00 -1.26 -5.16 120.51 121.71 2kjb n ALA 40 Ca -0.05 -0.95 -0.20 0.00 0.00 0.00 0.00 53.44 52.24 2kjb n ALA 40 Cb 0.50 0.74 0.21 0.00 0.00 0.00 0.00 19.45 20.90 2kjb n ALA 40 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kjb n SER 41 N -1.39 -0.87 0.07 0.00 2.88 -1.26 -4.75 113.62 108.29 2kjb n SER 41 Ca -0.06 -1.31 -0.16 0.00 -1.33 0.00 0.00 58.87 56.01 2kjb n SER 41 Cb 0.45 -0.96 -0.14 0.00 -0.75 0.00 0.00 64.21 62.81 2kjb n SER 41 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 2kjb h VAL 42 N -2.16 1.22 0.19 2.46 -1.51 -2.01 -3.33 116.25 111.10 2kjb h VAL 42 Ca -0.40 -2.86 -0.35 0.00 -1.23 0.00 0.00 66.70 61.86 2kjb h VAL 42 Cb 1.15 2.78 0.01 0.00 -2.13 0.00 0.00 31.29 33.10 2kjb h VAL 42 CO 0.27 0.82 -1.74 1.23 -1.23 0.00 0.00 177.57 176.93 2kjb h GLY 43 N 1.80 0.46 -0.01 5.19 0.00 -1.98 -3.32 103.07 105.21 2kjb h GLY 43 Ca -0.22 -1.17 0.14 0.00 0.00 0.00 0.00 47.33 46.08 2kjb h GLY 43 CO 0.16 1.02 0.10 0.45 0.00 0.00 0.00 176.54 178.28 2kjb h HIS 44 N 0.10 0.14 0.00 5.60 -0.00 -1.96 0.20 115.15 119.22 2kjb h HIS 44 Ca -0.34 0.04 -0.06 0.00 -0.00 0.00 0.00 60.37 60.01 2kjb h HIS 44 Cb 2.09 0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 29.54 2kjb h HIS 44 CO 0.10 -0.10 -0.26 -0.84 -0.00 0.00 0.00 177.93 176.83 2kjb h ILE 45 N 0.21 0.77 0.00 2.45 3.07 -1.72 -2.74 117.51 119.54 2kjb h ILE 45 Ca 0.36 -1.09 0.00 0.00 1.55 0.00 0.00 64.86 65.68 2kjb h ILE 45 Cb 0.58 1.68 0.00 0.00 -0.27 0.00 0.00 36.82 38.81 2kjb h ILE 45 CO -0.49 0.26 0.00 -0.24 -1.05 0.00 0.00 178.15 176.63 2kjb n SER 46 N -3.61 0.00 -0.22 2.16 2.88 0.65 -2.58 113.62 112.89 2kjb n SER 46 Ca -0.01 0.49 0.03 0.00 -1.33 0.00 0.00 58.87 58.05 2kjb n SER 46 Cb 0.39 -0.19 0.13 0.00 -0.75 0.00 0.00 64.21 63.80 2kjb n SER 46 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2kjb h HIS 47 N 0.00 0.08 -0.28 0.66 3.86 -1.55 -0.84 115.15 117.09 2kjb h HIS 47 Ca 0.00 0.04 0.06 0.00 -1.16 0.00 0.00 60.37 59.32 2kjb h HIS 47 Cb 0.00 0.07 -0.08 0.00 1.06 0.00 0.00 27.41 28.46 2kjb h HIS 47 CO 0.05 -0.14 -0.37 0.37 0.86 0.00 0.00 177.93 178.70 2kjb h GLN 48 N 0.18 -0.35 -0.34 2.45 4.15 -1.61 0.20 115.11 119.78 2kjb h GLN 48 Ca 0.36 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.81 2kjb h GLN 48 Cb 0.60 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.37 2kjb h GLN 48 CO -0.53 -0.23 0.00 1.28 -1.93 0.00 0.00 178.83 177.42 2kjb n LEU 49 N -5.42 0.34 -3.11 -2.39 4.77 -0.81 -4.88 117.00 105.50 2kjb n LEU 49 Ca -0.02 -0.17 -0.10 0.00 -0.03 0.00 0.00 56.01 55.69 2kjb n LEU 49 Cb 0.34 -0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.31 2kjb n LEU 49 CO 0.09 0.09 0.11 -3.20 -1.33 0.00 0.00 177.39 173.15 2kjb n ASN 50 N -0.33 -6.73 -4.08 -1.43 4.05 0.69 -5.04 115.26 102.40 2kjb n ASN 50 Ca 0.00 -0.51 -0.15 0.00 0.45 0.00 0.00 54.58 54.37 2kjb n ASN 50 Cb 0.09 -5.02 -0.12 0.00 1.23 0.00 0.00 39.78 35.95 2kjb n ASN 50 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2kjb s LEU 51 N -4.90 2.21 -0.52 1.20 1.43 -0.38 -5.00 118.68 112.72 2kjb s LEU 51 Ca 0.32 -0.47 -0.28 0.00 -1.03 0.00 0.00 54.13 52.66 2kjb s LEU 51 Cb -0.04 -0.31 0.02 0.00 0.03 0.00 0.00 46.19 45.89 2kjb s LEU 51 CO 0.71 -0.10 1.29 -0.44 0.23 0.00 0.00 176.35 178.03 2kjb s SER 52 N -1.30 6.38 0.00 2.29 0.01 -1.26 -3.77 113.70 116.05 2kjb s SER 52 Ca -0.05 0.39 0.03 0.00 1.31 0.00 0.00 55.95 57.63 2kjb s SER 52 Cb -0.08 -2.55 0.15 0.00 0.21 0.00 0.00 66.02 63.75 2kjb s SER 52 CO 0.01 -1.48 0.74 0.00 0.41 0.00 0.00 173.24 172.92 2kjb n GLN 53 N 8.29 0.07 0.14 12.44 10.64 -1.26 -1.23 117.38 146.47 2kjb n GLN 53 Ca 0.12 0.10 0.13 0.00 -1.83 0.00 0.00 57.00 55.51 2kjb n GLN 53 Cb 0.49 -1.50 0.30 0.00 -0.86 0.00 0.00 30.24 28.67 2kjb n GLN 53 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.06 176.00 2kjb h SER 54 N 0.00 0.00 0.00 2.61 0.02 -2.02 -3.34 113.55 110.82 2kjb h SER 54 Ca 0.00 -0.01 -0.28 0.00 -0.84 0.00 0.00 61.79 60.66 2kjb h SER 54 Cb 0.01 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.50 2kjb h SER 54 CO 0.00 0.00 -2.05 -0.46 -1.14 0.00 0.00 176.83 173.18 2kjb n ASN 55 N -2.57 1.51 0.34 3.07 0.23 -0.37 -4.62 115.26 112.85 2kjb n ASN 55 Ca 0.05 -0.02 -0.18 0.00 -0.53 0.00 0.00 54.58 53.90 2kjb n ASN 55 Cb 0.47 0.64 -0.09 0.00 -2.08 0.00 0.00 39.78 38.72 2kjb n ASN 55 CO 0.00 0.00 0.00 -0.37 -0.93 0.00 0.00 177.26 175.96 2kjb h VAL 56 N 0.00 0.10 -0.97 3.53 -1.51 -1.67 0.50 116.25 116.23 2kjb h VAL 56 Ca -0.42 0.00 0.32 0.00 -1.23 0.00 0.00 66.70 65.37 2kjb h VAL 56 Cb 1.88 0.10 -0.16 0.00 -2.13 0.00 0.00 31.29 30.98 2kjb h VAL 56 CO 0.00 0.00 0.38 0.28 -1.23 0.00 0.00 177.57 177.01 2kjb h SER 57 N -1.02 0.16 0.98 4.19 0.02 -1.84 2.03 113.55 118.07 2kjb h SER 57 Ca -0.07 0.23 -0.10 0.00 -0.84 0.00 0.00 61.79 61.00 2kjb h SER 57 Cb 0.85 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 2kjb h SER 57 CO 0.02 -0.26 -0.50 0.45 -1.14 0.00 0.00 176.83 175.40 2kjb h HIS 58 N 0.16 0.00 0.06 3.45 3.86 -1.70 -3.08 115.15 117.89 2kjb h HIS 58 Ca 0.69 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.90 2kjb h HIS 58 Cb 1.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.08 2kjb h HIS 58 CO -0.16 0.50 -0.03 0.37 0.86 0.00 0.00 177.93 179.47 2kjb h GLN 59 N 0.00 -0.07 -0.82 2.45 4.15 0.55 -3.18 115.11 118.18 2kjb h GLN 59 Ca -0.00 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.47 2kjb h GLN 59 Cb 1.12 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.78 2kjb h GLN 59 CO 0.06 0.32 0.51 -0.07 -1.93 0.00 0.00 178.83 177.73 2kjb h LEU 60 N -0.49 0.82 -0.61 -2.39 3.38 -1.12 -2.75 115.31 112.14 2kjb h LEU 60 Ca -0.01 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.07 2kjb h LEU 60 Cb 0.43 -0.16 -0.11 0.00 0.09 0.00 0.00 40.66 40.90 2kjb h LEU 60 CO 0.01 0.54 -0.36 0.50 0.09 0.00 0.00 178.44 179.22 2kjb h LYS 61 N 0.96 -0.16 0.00 1.13 3.64 -1.52 0.23 116.57 120.85 2kjb h LYS 61 Ca 0.34 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2kjb h LYS 61 Cb 0.10 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2kjb h LYS 61 CO -0.15 -0.11 0.00 -0.11 -2.27 0.00 0.00 179.45 176.81 2kjb n LEU 62 N -5.43 0.00 -0.32 5.20 7.94 -1.04 -1.98 117.00 121.37 2kjb n LEU 62 Ca 0.04 0.89 -0.06 0.00 -1.11 0.00 0.00 56.01 55.77 2kjb n LEU 62 Cb 0.36 -0.39 -0.02 0.00 0.53 0.00 0.00 43.42 43.90 2kjb n LEU 62 CO -0.01 -0.39 0.56 -0.07 -1.11 0.00 0.00 177.39 176.37 2kjb h LEU 63 N 0.00 -1.59 -1.93 -1.96 4.07 -1.49 0.99 115.31 113.40 2kjb h LEU 63 Ca 0.00 0.29 0.42 0.00 0.08 0.00 0.00 57.88 58.67 2kjb h LEU 63 Cb 0.00 0.76 -0.07 0.00 1.08 0.00 0.00 40.66 42.44 2kjb h LEU 63 CO 0.00 -0.29 1.04 0.50 -1.08 0.00 0.00 178.44 178.60 2kjb h LYS 64 N -0.08 0.02 0.05 1.13 1.63 -0.40 0.79 116.57 119.71 2kjb h LYS 64 Ca 0.25 -0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.80 2kjb h LYS 64 Cb 0.54 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 2kjb h LYS 64 CO -0.86 0.02 -1.17 0.77 -3.45 0.00 0.00 179.45 174.75 2kjb h SER 65 N 0.03 0.18 0.00 4.20 0.02 0.17 -3.24 113.55 114.90 2kjb h SER 65 Ca 0.71 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 2kjb h SER 65 Cb 2.76 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 65.24 2kjb h SER 65 CO -0.05 1.16 0.00 0.52 -1.14 0.00 0.00 176.83 177.32 2kjb n VAL 66 N -3.40 0.00 -1.27 2.27 0.31 0.27 -4.85 118.33 111.65 2kjb n VAL 66 Ca -0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.18 2kjb n VAL 66 Cb 0.98 -0.54 -0.04 0.00 -0.91 0.00 0.00 33.84 33.34 2kjb n VAL 66 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2kjb n HIS 67 N -0.96 0.00 1.14 3.52 -0.00 -1.05 -4.83 115.22 113.05 2kjb n HIS 67 Ca 0.18 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.49 2kjb n HIS 67 Cb 0.08 -2.21 0.25 0.00 -0.12 0.00 0.00 29.99 28.00 2kjb n HIS 67 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2kjb n LEU 68 N -1.06 1.15 -3.75 0.27 4.77 -1.24 -4.89 117.00 112.24 2kjb n LEU 68 Ca -0.09 -0.34 -0.13 0.00 -0.03 0.00 0.00 56.01 55.42 2kjb n LEU 68 Cb 0.45 -0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.33 2kjb n LEU 68 CO 0.14 0.22 0.03 -0.69 -1.33 0.00 0.00 177.39 175.76 2kjb s VAL 69 N -2.60 0.01 0.22 4.08 1.01 -1.26 -4.77 120.40 117.09 2kjb s VAL 69 Ca 0.20 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.10 2kjb s VAL 69 Cb 0.19 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 2kjb s VAL 69 CO 0.58 -0.06 0.03 -0.75 0.00 0.00 0.00 175.10 174.90 2kjb s LYS 70 N -0.14 1.27 -0.06 2.72 2.20 -1.14 -4.38 119.74 120.21 2kjb s LYS 70 Ca -0.03 -1.65 -0.03 0.00 -0.36 0.00 0.00 55.97 53.90 2kjb s LYS 70 Cb -0.03 -0.37 0.03 0.00 -1.51 0.00 0.00 37.83 35.96 2kjb s LYS 70 CO 0.01 -0.17 0.14 0.00 -0.36 0.00 0.00 175.35 174.96 2kjb s ALA 71 N -3.62 -0.25 0.24 3.13 0.00 -1.26 -1.82 121.76 118.18 2kjb s ALA 71 Ca 0.30 0.60 -0.26 0.00 0.00 0.00 0.00 51.96 52.60 2kjb s ALA 71 Cb 0.07 -0.40 -0.09 0.00 0.00 0.00 0.00 23.12 22.70 2kjb s ALA 71 CO 0.08 -0.14 0.86 0.21 0.00 0.00 0.00 175.76 176.78 2kjb s LYS 72 N 0.97 4.58 -0.49 0.00 2.20 -1.15 -4.97 119.74 120.88 2kjb s LYS 72 Ca -0.08 1.23 -0.15 0.00 -0.36 0.00 0.00 55.97 56.62 2kjb s LYS 72 Cb -0.10 -3.04 0.09 0.00 -1.51 0.00 0.00 37.83 33.27 2kjb s LYS 72 CO -0.05 0.43 0.41 1.03 -0.36 0.00 0.00 175.35 176.82 2kjb s ARG 73 N -1.61 2.95 -0.41 4.03 0.52 -1.26 -3.33 118.95 119.84 2kjb s ARG 73 Ca 0.43 -1.46 -0.07 0.00 -0.52 0.00 0.00 55.73 54.11 2kjb s ARG 73 Cb -0.21 -4.15 0.09 0.00 0.52 0.00 0.00 34.95 31.20 2kjb s ARG 73 CO 0.26 -1.11 0.23 -1.14 0.02 0.00 0.00 175.30 173.56 2kjb s GLN 74 N 1.61 2.38 7.64 3.54 0.74 -1.25 -5.01 119.66 129.31 2kjb s GLN 74 Ca 0.04 -1.60 0.00 0.00 0.05 0.00 0.00 55.36 53.84 2kjb s GLN 74 Cb -0.26 -3.69 0.00 0.00 1.10 0.00 0.00 33.01 30.16 2kjb s GLN 74 CO 0.05 -1.00 0.00 0.41 -0.55 0.00 0.00 175.29 174.20 2kjb n GLY 75 N 4.79 3.02 0.14 2.59 0.00 -1.26 -2.97 105.19 111.51 2kjb n GLY 75 Ca -0.08 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 2kjb n GLY 75 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2kjb h GLN 76 N 0.00 0.33 0.00 1.61 -0.00 -2.03 -3.47 115.11 111.55 2kjb h GLN 76 Ca 0.00 -0.57 0.00 0.00 -0.00 0.00 0.00 58.65 58.08 2kjb h GLN 76 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 27.48 27.69 2kjb h GLN 76 CO 0.00 1.25 0.00 0.45 0.00 0.00 0.00 178.83 180.53 2kjb n SER 77 N -3.53 -0.82 -3.52 -0.69 2.88 -1.16 -5.10 113.62 101.68 2kjb n SER 77 Ca -0.26 -0.36 -0.12 0.00 -1.33 0.00 0.00 58.87 56.80 2kjb n SER 77 Cb 1.06 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.48 2kjb n SER 77 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kjb s MET 78 N -2.32 0.85 -0.15 -1.46 0.23 -1.26 -3.89 119.30 111.30 2kjb s MET 78 Ca 0.00 -0.05 -0.04 0.00 -1.03 0.00 0.00 55.69 54.57 2kjb s MET 78 Cb 0.00 0.39 0.07 0.00 -1.53 0.00 0.00 34.83 33.77 2kjb s MET 78 CO 0.00 -0.32 0.24 0.42 -2.03 0.00 0.00 175.02 173.33 2kjb s ILE 79 N -2.09 -0.37 0.57 3.16 1.01 -1.21 -4.84 121.20 117.43 2kjb s ILE 79 Ca -0.01 0.17 -0.15 0.00 0.00 0.00 0.00 60.65 60.66 2kjb s ILE 79 Cb -0.01 -0.49 -0.05 0.00 0.01 0.00 0.00 42.46 41.92 2kjb s ILE 79 CO -0.02 0.03 1.03 -0.31 0.00 0.00 0.00 174.94 175.66 2kjb s TYR 80 N 2.38 3.24 -0.11 3.97 1.51 -1.26 -2.94 117.35 124.14 2kjb s TYR 80 Ca 0.04 1.47 -0.31 0.00 -1.01 0.00 0.00 57.07 57.26 2kjb s TYR 80 Cb -0.13 -2.89 0.12 0.00 -0.11 0.00 0.00 41.96 38.96 2kjb s TYR 80 CO -0.09 -0.78 1.02 -1.54 -1.11 0.00 0.00 175.55 173.05 2kjb s SER 81 N -3.09 -0.29 0.00 2.29 1.04 -0.76 -4.95 113.70 107.94 2kjb s SER 81 Ca 0.61 0.12 0.00 0.00 0.48 0.00 0.00 55.95 57.15 2kjb s SER 81 Cb -0.13 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.27 2kjb s SER 81 CO 0.37 -0.42 0.00 -0.11 0.98 0.00 0.00 173.24 174.07 2kjb n LEU 82 N 0.11 0.00 0.09 2.42 7.94 -1.26 -2.87 117.00 123.43 2kjb n LEU 82 Ca -0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 2kjb n LEU 82 Cb 0.60 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.55 2kjb n LEU 82 CO 0.12 -0.11 0.00 0.47 -1.11 0.00 0.00 177.39 176.76 2kjb n ASP 83 N 0.00 -1.60 -4.55 1.96 9.92 -1.26 -4.63 116.55 116.39 2kjb n ASP 83 Ca 0.00 0.35 -0.37 0.00 -0.53 0.00 0.00 54.79 54.23 2kjb n ASP 83 Cb 0.00 1.78 -0.03 0.00 -0.64 0.00 0.00 41.12 42.23 2kjb n ASP 83 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 2kjb s ASP 84 N -1.37 5.24 0.00 -2.24 -4.77 -1.26 -4.79 116.67 107.49 2kjb s ASP 84 Ca 0.00 0.27 0.02 0.00 -3.30 0.00 0.00 52.55 49.54 2kjb s ASP 84 Cb 0.00 -2.53 0.10 0.00 -1.09 0.00 0.00 42.92 39.40 2kjb s ASP 84 CO 0.00 -2.42 1.05 0.00 0.70 0.00 0.00 175.17 174.50 2kjb n ILE 85 N 7.28 1.74 0.27 2.11 3.06 -1.26 -2.73 119.36 129.83 2kjb n ILE 85 Ca 0.22 0.44 -0.16 0.00 -2.50 0.00 0.00 62.75 60.75 2kjb n ILE 85 Cb 0.52 -1.40 -0.08 0.00 0.54 0.00 0.00 39.64 39.22 2kjb n ILE 85 CO 0.00 0.00 0.00 0.45 -2.50 0.00 0.00 176.55 174.50 2kjb h HIS 86 N 0.00 -0.66 -0.27 9.51 3.86 -2.01 -3.03 115.15 122.54 2kjb h HIS 86 Ca 0.00 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.14 2kjb h HIS 86 Cb 0.04 0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 2kjb h HIS 86 CO 0.00 -0.40 -0.07 -0.24 0.86 0.00 0.00 177.93 178.08 2kjb h VAL 87 N -0.67 1.28 -0.68 2.45 3.04 -1.94 -2.48 116.25 117.26 2kjb h VAL 87 Ca -0.06 -1.10 0.06 0.00 -1.01 0.00 0.00 66.70 64.60 2kjb h VAL 87 Cb 0.53 1.45 -0.09 0.00 -2.01 0.00 0.00 31.29 31.17 2kjb h VAL 87 CO 0.07 0.35 -0.49 0.00 -1.01 0.00 0.00 177.57 176.49 2kjb h ALA 88 N 0.77 -0.54 -0.62 3.17 0.00 -1.65 0.19 119.26 120.59 2kjb h ALA 88 Ca 0.07 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2kjb h ALA 88 Cb 0.55 1.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 2kjb h ALA 88 CO 0.03 -0.85 0.18 0.00 0.00 0.00 0.00 179.25 178.61 2kjb h THR 89 N -0.11 1.25 -1.38 0.00 1.03 -1.60 -2.57 112.91 109.53 2kjb h THR 89 Ca 0.11 -0.86 0.41 0.00 -0.01 0.00 0.00 66.41 66.06 2kjb h THR 89 Cb 0.39 0.63 -0.08 0.00 -1.07 0.00 0.00 68.15 68.02 2kjb h THR 89 CO -0.69 0.32 0.96 -0.03 -0.01 0.00 0.00 175.52 176.07 2kjb h MET 90 N 0.89 0.08 0.35 0.00 4.05 -0.51 0.55 114.93 120.34 2kjb h MET 90 Ca 0.20 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.60 2kjb h MET 90 Cb 0.30 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.09 2kjb h MET 90 CO -0.00 0.05 -0.17 1.25 0.23 0.00 0.00 176.91 178.27 2kjb h LEU 91 N 0.08 -0.39 -1.81 3.39 6.46 -0.89 -3.09 115.31 119.06 2kjb h LEU 91 Ca 0.72 0.01 0.17 0.00 -0.12 0.00 0.00 57.88 58.66 2kjb h LEU 91 Cb 2.57 0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 42.57 2kjb h LEU 91 CO -0.15 -0.00 0.47 0.50 -0.62 0.00 0.00 178.44 178.64 2kjb h LYS 92 N -1.02 0.18 0.00 1.25 3.64 -1.01 0.45 116.57 120.05 2kjb h LYS 92 Ca -0.05 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 2kjb h LYS 92 Cb 0.36 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2kjb h LYS 92 CO 0.08 0.12 -0.09 1.96 -2.27 0.00 0.00 179.45 179.25 2kjb h GLN 93 N 0.18 0.00 -0.11 1.90 4.20 -0.01 0.25 115.11 121.52 2kjb h GLN 93 Ca 0.33 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.90 2kjb h GLN 93 Cb 1.04 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 2kjb h GLN 93 CO -0.06 0.09 -0.53 0.00 -0.67 0.00 0.00 178.83 177.66 2kjb h ALA 94 N 1.91 0.88 -0.00 3.87 0.00 -0.01 -2.65 119.26 123.26 2kjb h ALA 94 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2kjb h ALA 94 Cb 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2kjb h ALA 94 CO 0.01 0.68 -0.40 -0.89 0.00 0.00 0.00 179.25 178.66 2kjb n ILE 95 N -3.94 0.00 0.11 0.00 5.41 -0.34 -3.92 119.36 116.68 2kjb n ILE 95 Ca -0.02 -0.03 -0.23 0.00 1.00 0.00 0.00 62.75 63.46 2kjb n ILE 95 Cb 0.57 0.23 -0.15 0.00 -0.71 0.00 0.00 39.64 39.58 2kjb n ILE 95 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 2kjb h HIS 96 N 0.32 0.82 -0.57 1.39 2.76 -0.24 -3.35 115.15 116.29 2kjb h HIS 96 Ca 0.00 -0.60 0.11 0.00 -2.20 0.00 0.00 60.37 57.68 2kjb h HIS 96 Cb 0.49 -0.03 -0.09 0.00 1.55 0.00 0.00 27.41 29.34 2kjb h HIS 96 CO 0.00 1.59 0.09 1.25 -1.30 0.00 0.00 177.93 179.55 2kjb h HIS 97 N 0.12 0.13 0.00 5.26 -0.00 -1.60 -3.29 115.15 115.77 2kjb h HIS 97 Ca -0.29 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 2kjb h HIS 97 Cb 2.13 0.03 0.00 0.00 -0.00 0.00 0.00 27.41 29.57 2kjb h HIS 97 CO 0.11 -0.06 0.00 0.00 -0.00 0.00 0.00 177.93 177.98 2kjb n ALA 98 N -2.62 0.00 -0.34 5.26 0.00 -1.25 -4.72 120.51 116.84 2kjb n ALA 98 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2kjb n ALA 98 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 2kjb n ALA 98 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kjb n ASN 99 N 0.00 0.00 -3.61 0.00 2.85 -1.24 -4.14 115.26 109.12 2kjb n ASN 99 Ca 0.00 0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 54.13 2kjb n ASN 99 Cb 0.00 -1.46 0.02 0.00 1.24 0.00 0.00 39.78 39.58 2kjb n ASN 99 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kjb n HIS 100 N -2.00 -2.47 0.07 1.20 -0.00 -1.26 -4.88 115.22 105.88 2kjb n HIS 100 Ca 0.00 1.03 -0.00 0.00 -0.00 0.00 0.00 57.72 58.74 2kjb n HIS 100 Cb 0.00 -2.17 -0.05 0.00 -0.00 0.00 0.00 29.99 27.77 2kjb n HIS 100 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2kjb h PRO 101 N 1.21 0.00 0.00 -1.40 0.13 -1.94 -3.44 132.00 126.56 2kjb h PRO 101 Ca -0.59 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 2kjb h PRO 101 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 2kjb h PRO 101 CO 0.28 0.45 0.00 1.17 -0.23 0.00 0.00 178.00 179.67 2kjb n LYS 102 N -3.07 0.00 0.00 0.86 4.81 -1.26 -5.30 118.16 114.20 2kjb n LYS 102 Ca -0.05 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.40 2kjb n LYS 102 Cb 0.82 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.94 2kjb n LYS 102 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96