#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 -5.90 0.22 3.41 -2.24 -1.26 -4.75 114.28 103.75 2kjb n THR 10 Ca 0.00 -0.79 0.03 0.00 -2.27 0.00 0.00 64.05 61.02 2kjb n THR 10 Cb 0.00 -4.58 0.13 0.00 -2.10 0.00 0.00 70.33 63.78 2kjb n THR 10 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2kjb n ASP 11 N -3.01 0.00 -0.05 3.42 2.03 -1.26 -0.42 116.55 117.27 2kjb n ASP 11 Ca -0.20 0.45 -0.01 0.00 0.52 0.00 0.00 54.79 55.55 2kjb n ASP 11 Cb 0.65 -0.47 -0.00 0.00 -0.72 0.00 0.00 41.12 40.58 2kjb n ASP 11 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2kjb h THR 12 N 0.00 0.00 -0.01 5.18 2.02 -2.02 -3.35 112.91 114.74 2kjb h THR 12 Ca 0.00 -0.85 -0.15 0.00 0.77 0.00 0.00 66.41 66.18 2kjb h THR 12 Cb 0.10 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 2kjb h THR 12 CO 0.00 0.00 -0.68 0.25 0.37 0.00 0.00 175.52 175.46 2kjb h LEU 13 N -0.85 0.06 -0.15 2.58 5.85 -1.91 -3.28 115.31 117.62 2kjb h LEU 13 Ca 0.00 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.72 2kjb h LEU 13 Cb 0.09 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.04 2kjb h LEU 13 CO 0.00 0.72 -0.48 -0.08 -0.34 0.00 0.00 178.44 178.25 2kjb h GLU 14 N 0.03 -0.51 0.00 1.25 4.57 -0.92 0.12 114.58 119.11 2kjb h GLU 14 Ca -0.01 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2kjb h GLU 14 Cb 1.20 0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.90 2kjb h GLU 14 CO 0.09 -0.34 -0.11 0.07 -1.18 0.00 0.00 179.01 177.54 2kjb h ARG 15 N -0.53 0.00 0.00 1.92 0.11 -1.69 -1.06 114.38 113.13 2kjb h ARG 15 Ca 0.06 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.07 2kjb h ARG 15 Cb 0.66 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.72 2kjb h ARG 15 CO -0.43 0.11 -0.35 0.28 0.10 0.00 0.00 179.97 179.68 2kjb h VAL 16 N 0.00 0.78 0.00 0.08 2.07 -1.11 -2.48 116.25 115.59 2kjb h VAL 16 Ca -0.00 -1.49 -0.05 0.00 0.82 0.00 0.00 66.70 65.97 2kjb h VAL 16 Cb 0.32 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 2kjb h VAL 16 CO 0.01 0.34 -0.25 0.74 0.02 0.00 0.00 177.57 178.43 2kjb h THR 17 N 0.00 0.47 -0.59 2.57 2.02 0.26 -3.15 112.91 114.48 2kjb h THR 17 Ca -0.00 -1.49 -0.10 0.00 0.77 0.00 0.00 66.41 65.59 2kjb h THR 17 Cb 0.92 2.09 -0.02 0.00 -1.74 0.00 0.00 68.15 69.40 2kjb h THR 17 CO 0.04 0.25 -0.02 -0.08 0.37 0.00 0.00 175.52 176.08 2kjb h GLU 18 N 0.00 1.06 0.69 6.66 4.22 -1.24 -0.49 114.58 125.49 2kjb h GLU 18 Ca -0.00 -0.35 -0.03 0.00 0.08 0.00 0.00 59.36 59.06 2kjb h GLU 18 Cb 1.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 2kjb h GLU 18 CO 0.03 1.05 -0.46 0.82 -2.18 0.00 0.00 179.01 178.28 2kjb h ILE 19 N 0.96 0.08 -0.83 2.32 2.04 -1.53 -2.21 117.51 118.34 2kjb h ILE 19 Ca 0.17 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.08 2kjb h ILE 19 Cb 0.59 0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 36.69 2kjb h ILE 19 CO 0.03 0.00 0.51 -0.26 0.00 0.00 0.00 178.15 178.44 2kjb h PHE 20 N -1.09 0.95 -0.27 1.37 0.04 -1.61 0.77 116.94 117.10 2kjb h PHE 20 Ca -0.09 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.79 2kjb h PHE 20 Cb 0.89 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 2kjb h PHE 20 CO -0.13 0.49 0.38 -0.22 -0.60 0.00 0.00 178.31 178.23 2kjb h LYS 21 N 0.94 0.00 -0.41 1.51 3.64 -0.76 -1.38 116.57 120.12 2kjb h LYS 21 Ca 0.36 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.82 2kjb h LYS 21 Cb 0.15 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.89 2kjb h LYS 21 CO -0.17 0.00 -0.15 0.00 -2.27 0.00 0.00 179.45 176.86 2kjb h ALA 22 N 1.49 0.19 -1.54 5.00 0.00 -0.22 -3.41 119.26 120.77 2kjb h ALA 22 Ca 0.13 0.15 -0.68 0.00 0.00 0.00 0.00 54.91 54.51 2kjb h ALA 22 Cb 0.89 0.40 0.07 0.00 0.00 0.00 0.00 17.79 19.14 2kjb h ALA 22 CO -0.00 -0.50 0.20 1.28 0.00 0.00 0.00 179.25 180.22 2kjb n LEU 23 N -5.35 1.03 0.00 0.00 4.77 -0.52 -4.79 117.00 112.15 2kjb n LEU 23 Ca 0.03 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.15 2kjb n LEU 23 Cb 0.26 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.21 2kjb n LEU 23 CO 0.13 -1.51 0.00 0.61 -1.33 0.00 0.00 177.39 175.29 2kjb n GLY 24 N 2.02 0.98 3.15 -0.72 0.00 -1.26 -5.09 105.19 104.27 2kjb n GLY 24 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 2kjb n GLY 24 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kjb s ASP 25 N 0.00 -0.81 0.59 1.61 -4.77 -1.26 -5.01 116.67 107.02 2kjb s ASP 25 Ca 0.00 0.49 0.29 0.00 -3.30 0.00 0.00 52.55 50.03 2kjb s ASP 25 Cb 0.00 1.67 1.42 0.00 -1.09 0.00 0.00 42.92 44.92 2kjb s ASP 25 CO 0.00 -0.15 1.82 1.88 0.70 0.00 0.00 175.17 179.42 2kjb h TYR 26 N 7.98 0.00 0.00 2.11 0.05 -2.01 0.67 116.97 125.77 2kjb h TYR 26 Ca -0.17 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.61 2kjb h TYR 26 Cb 1.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.91 2kjb h TYR 26 CO 0.08 0.00 0.00 -1.71 -1.05 0.00 0.00 178.16 175.48 2kjb n ASN 27 N -3.72 0.14 -0.24 3.88 5.15 -1.26 -2.23 115.26 116.98 2kjb n ASN 27 Ca 0.12 0.55 -0.07 0.00 -0.60 0.00 0.00 54.58 54.59 2kjb n ASN 27 Cb 0.83 -0.58 0.04 0.00 -0.53 0.00 0.00 39.78 39.55 2kjb n ASN 27 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 2kjb h ARG 28 N 0.00 0.97 -0.22 1.20 0.11 -0.06 -2.43 114.38 113.94 2kjb h ARG 28 Ca 0.00 -0.16 0.05 0.00 0.10 0.00 0.00 59.98 59.97 2kjb h ARG 28 Cb 0.09 -0.16 -0.05 0.00 1.11 0.00 0.00 29.97 30.95 2kjb h ARG 28 CO 0.00 0.79 -0.11 0.82 0.10 0.00 0.00 179.97 181.58 2kjb h ILE 29 N 0.92 0.66 -0.30 0.08 1.08 -1.65 0.50 117.51 118.80 2kjb h ILE 29 Ca 0.22 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.75 2kjb h ILE 29 Cb 0.17 0.66 -0.06 0.00 -3.07 0.00 0.00 36.82 34.53 2kjb h ILE 29 CO -0.02 0.00 -0.06 0.03 -0.69 0.00 0.00 178.15 177.40 2kjb h ARG 30 N -0.08 0.01 0.52 2.37 3.08 -1.66 0.41 114.38 119.03 2kjb h ARG 30 Ca 0.12 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 2kjb h ARG 30 Cb 0.26 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.31 2kjb h ARG 30 CO -0.27 0.01 -0.25 0.82 -1.07 0.00 0.00 179.97 179.20 2kjb h ILE 31 N 0.01 0.00 -1.45 2.04 2.04 -0.91 -2.91 117.51 116.33 2kjb h ILE 31 Ca 0.14 -0.14 0.43 0.00 1.00 0.00 0.00 64.86 66.29 2kjb h ILE 31 Cb 0.22 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.22 2kjb h ILE 31 CO -0.30 0.00 1.03 0.24 0.00 0.00 0.00 178.15 179.12 2kjb h MET 32 N -0.85 0.04 -0.07 2.37 2.86 0.06 1.35 114.93 120.70 2kjb h MET 32 Ca -0.07 -0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.47 2kjb h MET 32 Cb 0.54 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 2kjb h MET 32 CO 0.12 0.03 -0.42 1.49 1.06 0.00 0.00 176.91 179.19 2kjb h GLU 33 N 0.05 0.14 0.14 1.72 4.81 -0.72 -1.74 114.58 118.97 2kjb h GLU 33 Ca 0.73 -0.07 -0.25 0.00 -0.13 0.00 0.00 59.36 59.64 2kjb h GLU 33 Cb 2.74 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 32.13 2kjb h GLU 33 CO -0.09 0.54 -1.20 1.25 -0.73 0.00 0.00 179.01 178.78 2kjb h LEU 34 N 0.12 0.46 -1.63 1.64 5.85 0.19 -3.31 115.31 118.62 2kjb h LEU 34 Ca 0.01 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 57.83 2kjb h LEU 34 Cb 0.80 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.68 2kjb h LEU 34 CO 0.06 1.55 0.00 -0.07 -0.34 0.00 0.00 178.44 179.64 2kjb h LEU 35 N -0.29 0.00 -1.02 2.25 3.38 -1.26 0.53 115.31 118.91 2kjb h LEU 35 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2kjb h LEU 35 Cb 1.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.51 2kjb h LEU 35 CO 0.11 0.00 0.00 -1.28 0.09 0.00 0.00 178.44 177.36 2kjb h SER 36 N 0.00 0.00 -0.07 -0.43 0.87 -1.40 -3.33 113.55 109.18 2kjb h SER 36 Ca 0.00 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.33 2kjb h SER 36 Cb 0.41 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 62.21 2kjb h SER 36 CO 0.00 0.00 -0.42 1.33 -0.53 0.00 0.00 176.83 177.21 2kjb n VAL 37 N -2.65 0.05 0.00 2.23 0.24 -0.75 -5.05 118.33 112.41 2kjb n VAL 37 Ca 0.02 -1.62 0.00 0.00 -2.04 0.00 0.00 64.34 60.70 2kjb n VAL 37 Cb 0.28 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.68 2kjb n VAL 37 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2kjb n SER 38 N -0.44 0.00 -4.80 -1.34 2.88 0.10 -4.99 113.62 105.04 2kjb n SER 38 Ca -0.01 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 2kjb n SER 38 Cb 0.83 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.27 2kjb n SER 38 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2kjb s GLU 39 N 0.00 3.65 0.27 -1.46 0.41 -1.26 -3.95 118.70 116.36 2kjb s GLU 39 Ca 0.00 1.31 -0.13 0.00 -0.41 0.00 0.00 54.97 55.74 2kjb s GLU 39 Cb 0.00 -2.07 0.05 0.00 -1.78 0.00 0.00 34.13 30.33 2kjb s GLU 39 CO 0.00 -0.55 0.68 0.00 -0.49 0.00 0.00 175.26 174.90 2kjb n ALA 40 N -1.30 -1.60 -1.30 5.21 0.00 -1.26 -5.08 120.51 115.18 2kjb n ALA 40 Ca 0.09 -0.96 -0.07 0.00 0.00 0.00 0.00 53.44 52.51 2kjb n ALA 40 Cb 0.53 0.71 0.07 0.00 0.00 0.00 0.00 19.45 20.75 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 -1.35 0.03 0.07 0.00 2.88 -1.26 -4.69 113.62 109.29 2kjb n SER 41 Ca -0.06 -1.15 -0.22 0.00 -1.33 0.00 0.00 58.87 56.11 2kjb n SER 41 Cb 0.47 -0.33 -0.15 0.00 -0.75 0.00 0.00 64.21 63.45 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 -1.25 1.20 0.10 2.46 -1.51 -2.01 -3.34 116.25 111.90 2kjb h VAL 42 Ca -0.14 -2.54 -0.17 0.00 -1.23 0.00 0.00 66.70 62.62 2kjb h VAL 42 Cb 0.38 2.94 0.01 0.00 -2.13 0.00 0.00 31.29 32.49 2kjb h VAL 42 CO 0.10 0.77 -0.81 1.23 -1.23 0.00 0.00 177.57 177.63 2kjb h GLY 43 N 0.11 0.25 -0.87 5.19 0.00 -2.00 -3.31 103.07 102.44 2kjb h GLY 43 Ca -0.26 -0.63 0.41 0.00 0.00 0.00 0.00 47.33 46.85 2kjb h GLY 43 CO 0.17 0.55 1.01 0.84 0.00 0.00 0.00 176.54 179.11 2kjb h HIS 44 N -0.51 0.06 0.00 5.60 6.17 -1.97 1.63 115.15 126.13 2kjb h HIS 44 Ca -0.16 0.00 -0.11 0.00 0.71 0.00 0.00 60.37 60.82 2kjb h HIS 44 Cb 1.53 -0.01 -0.02 0.00 2.52 0.00 0.00 27.41 31.43 2kjb h HIS 44 CO 0.19 -0.01 -0.51 0.82 0.71 0.00 0.00 177.93 179.14 2kjb h ILE 45 N 0.02 0.89 -0.25 6.26 2.04 -1.68 -2.84 117.51 121.95 2kjb h ILE 45 Ca 0.69 -2.18 -0.14 0.00 1.00 0.00 0.00 64.86 64.23 2kjb h ILE 45 Cb 2.70 2.39 -0.00 0.00 -0.74 0.00 0.00 36.82 41.16 2kjb h ILE 45 CO -0.04 0.50 -0.39 -1.28 0.00 0.00 0.00 178.15 176.94 2kjb h SER 46 N 0.00 0.77 0.01 1.72 0.87 0.23 -1.39 113.55 115.76 2kjb h SER 46 Ca -0.01 -0.52 -0.03 0.00 -1.23 0.00 0.00 61.79 60.01 2kjb h SER 46 Cb 1.34 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2kjb h SER 46 CO 0.07 1.14 -0.10 -0.74 -0.53 0.00 0.00 176.83 176.66 2kjb h HIS 47 N 0.43 0.09 0.46 2.24 -0.00 -1.56 0.61 115.15 117.42 2kjb h HIS 47 Ca 0.02 -0.05 -0.02 0.00 -0.00 0.00 0.00 60.37 60.31 2kjb h HIS 47 Cb 0.98 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.39 2kjb h HIS 47 CO 0.08 0.91 -0.22 1.96 -0.00 0.00 0.00 177.93 180.66 2kjb h GLN 48 N -0.76 -0.60 -0.06 5.26 1.08 -1.61 -2.75 115.11 115.67 2kjb h GLN 48 Ca -0.02 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2kjb h GLN 48 Cb 0.95 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 2kjb h GLN 48 CO 0.02 -0.29 0.00 -0.11 -0.95 0.00 0.00 178.83 177.50 2kjb n LEU 49 N -5.25 0.06 -3.54 1.46 0.00 -0.52 -4.85 117.00 104.36 2kjb n LEU 49 Ca -0.10 -0.03 -0.23 0.00 0.00 0.00 0.00 56.01 55.65 2kjb n LEU 49 Cb 0.30 -0.03 0.01 0.00 0.00 0.00 0.00 43.42 43.70 2kjb n LEU 49 CO 0.30 0.02 -0.13 -0.46 0.00 0.00 0.00 177.39 177.12 2kjb n ASN 50 N -0.41 -5.70 -3.89 1.96 6.94 -1.04 -4.98 115.26 108.14 2kjb n ASN 50 Ca 0.00 -0.54 -0.11 0.00 -0.02 0.00 0.00 54.58 53.92 2kjb n ASN 50 Cb 0.02 -2.53 -0.10 0.00 -2.36 0.00 0.00 39.78 34.80 2kjb n ASN 50 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2kjb s LEU 51 N -4.09 1.68 -0.14 -4.53 1.43 0.21 -5.02 118.68 108.22 2kjb s LEU 51 Ca 0.10 -0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.65 2kjb s LEU 51 Cb -0.01 0.57 -0.01 0.00 0.03 0.00 0.00 46.19 46.76 2kjb s LEU 51 CO 0.86 -0.35 1.12 -0.55 0.23 0.00 0.00 176.35 177.66 2kjb s SER 52 N -1.38 7.09 0.00 2.29 0.15 -1.26 -4.30 113.70 116.28 2kjb s SER 52 Ca -0.15 1.60 0.00 0.00 0.70 0.00 0.00 55.95 58.10 2kjb s SER 52 Cb -0.08 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2kjb s SER 52 CO 0.01 -0.62 0.52 0.00 1.20 0.00 0.00 173.24 174.35 2kjb n GLN 53 N 5.79 0.00 -0.01 5.44 -0.00 -1.26 -1.93 117.38 125.41 2kjb n GLN 53 Ca 0.11 0.10 -0.11 0.00 -0.00 0.00 0.00 57.00 57.10 2kjb n GLN 53 Cb 0.46 -1.53 -0.09 0.00 -0.00 0.00 0.00 30.24 29.09 2kjb n GLN 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2kjb h SER 54 N 0.00 -0.07 1.15 2.61 0.87 -2.01 -3.32 113.55 112.77 2kjb h SER 54 Ca 0.00 -0.56 -0.16 0.00 -1.23 0.00 0.00 61.79 59.84 2kjb h SER 54 Cb 0.05 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 2kjb h SER 54 CO 0.00 0.60 -0.78 0.78 -0.53 0.00 0.00 176.83 176.90 2kjb h ASN 55 N -0.83 0.00 0.00 6.23 4.21 -1.80 -3.30 115.58 120.09 2kjb h ASN 55 Ca -0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.50 2kjb h ASN 55 Cb 0.63 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.83 2kjb h ASN 55 CO 0.01 0.78 0.00 0.52 -1.29 0.00 0.00 177.43 177.45 2kjb n VAL 56 N -3.34 0.00 -0.28 2.81 0.31 -1.13 -0.61 118.33 116.09 2kjb n VAL 56 Ca 0.01 0.96 0.05 0.00 -0.01 0.00 0.00 64.34 65.34 2kjb n VAL 56 Cb 0.83 -1.76 0.14 0.00 -0.91 0.00 0.00 33.84 32.14 2kjb n VAL 56 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2kjb h SER 57 N 0.00 -0.60 -0.15 4.52 0.87 -1.76 1.20 113.55 117.63 2kjb h SER 57 Ca 0.00 0.23 0.04 0.00 -1.23 0.00 0.00 61.79 60.84 2kjb h SER 57 Cb 0.00 0.45 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 2kjb h SER 57 CO 0.00 -0.25 0.22 0.45 -0.53 0.00 0.00 176.83 176.71 2kjb h HIS 58 N 0.03 0.00 0.14 2.24 -0.00 -1.62 -2.11 115.15 113.84 2kjb h HIS 58 Ca 0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.78 2kjb h HIS 58 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.12 2kjb h HIS 58 CO -0.56 0.00 -0.07 0.37 -0.00 0.00 0.00 177.93 177.67 2kjb h GLN 59 N 0.00 -0.19 -0.65 2.45 4.15 0.39 -3.19 115.11 118.08 2kjb h GLN 59 Ca 0.07 0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.63 2kjb h GLN 59 Cb 0.50 0.04 -0.10 0.00 0.21 0.00 0.00 27.48 28.14 2kjb h GLN 59 CO -0.00 0.15 0.14 -0.07 -1.93 0.00 0.00 178.83 177.11 2kjb h LEU 60 N -0.54 -0.01 0.00 -2.39 3.38 -1.33 -2.18 115.31 112.24 2kjb h LEU 60 Ca -0.02 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2kjb h LEU 60 Cb 0.42 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2kjb h LEU 60 CO 0.03 -0.01 0.00 0.29 0.09 0.00 0.00 178.44 178.84 2kjb n LYS 61 N -5.15 0.00 0.00 1.13 4.76 -1.20 0.79 118.16 118.49 2kjb n LYS 61 Ca 0.11 0.82 0.00 0.00 -2.87 0.00 0.00 58.31 56.37 2kjb n LYS 61 Cb 0.37 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 2kjb n LYS 61 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2kjb n LEU 62 N -2.40 0.00 -0.33 -0.35 7.94 -1.13 -0.57 117.00 120.15 2kjb n LEU 62 Ca 0.00 0.81 0.04 0.00 -1.11 0.00 0.00 56.01 55.76 2kjb n LEU 62 Cb 0.00 -0.31 0.11 0.00 0.53 0.00 0.00 43.42 43.74 2kjb n LEU 62 CO 0.00 -0.31 0.58 -0.11 -1.11 0.00 0.00 177.39 176.43 2kjb n LEU 63 N -1.61 -0.37 -0.02 -1.96 7.94 -0.83 -0.36 117.00 119.79 2kjb n LEU 63 Ca 0.00 1.54 -0.12 0.00 -1.11 0.00 0.00 56.01 56.32 2kjb n LEU 63 Cb 0.00 -0.44 -0.07 0.00 0.53 0.00 0.00 43.42 43.43 2kjb n LEU 63 CO 0.00 -1.46 0.75 0.50 -1.11 0.00 0.00 177.39 176.07 2kjb h LYS 64 N 0.00 0.13 0.00 1.96 3.64 0.40 -2.73 116.57 119.98 2kjb h LYS 64 Ca 0.40 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 2kjb h LYS 64 Cb 0.63 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2kjb h LYS 64 CO -0.91 0.38 0.33 0.77 -2.27 0.00 0.00 179.45 177.75 2kjb h SER 65 N -0.13 0.00 0.76 4.20 0.02 0.18 0.60 113.55 119.18 2kjb h SER 65 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2kjb h SER 65 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2kjb h SER 65 CO 0.00 0.00 -0.05 0.52 -1.14 0.00 0.00 176.83 176.16 2kjb n VAL 66 N -2.77 0.00 -0.87 2.27 0.31 -0.81 -4.89 118.33 111.57 2kjb n VAL 66 Ca -0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2kjb n VAL 66 Cb 0.37 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 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 -1.38 0.00 0.00 3.52 -0.00 0.21 -5.01 115.22 112.57 2kjb n HIS 67 Ca 0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.28 2kjb n HIS 67 Cb 0.30 -0.30 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2kjb n HIS 67 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2kjb n LEU 68 N 0.00 0.45 -4.75 0.27 7.94 -1.24 -4.90 117.00 114.76 2kjb n LEU 68 Ca 0.00 0.02 -0.32 0.00 -1.11 0.00 0.00 56.01 54.60 2kjb n LEU 68 Cb 0.00 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.03 2kjb n LEU 68 CO 0.00 0.00 0.73 0.68 -1.11 0.00 0.00 177.39 177.69 2kjb s VAL 69 N -0.04 3.05 -0.19 1.96 -7.23 -1.26 -4.88 120.40 111.80 2kjb s VAL 69 Ca 0.00 0.42 -0.01 0.00 -1.81 0.00 0.00 61.98 60.58 2kjb s VAL 69 Cb 0.00 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 34.06 2kjb s VAL 69 CO 0.00 -0.37 -0.13 -0.75 -0.31 0.00 0.00 175.10 173.55 2kjb s LYS 70 N -4.42 3.20 0.49 4.82 2.20 -1.06 -4.83 119.74 120.14 2kjb s LYS 70 Ca 0.66 -0.73 -0.04 0.00 -0.36 0.00 0.00 55.97 55.50 2kjb s LYS 70 Cb -0.21 -2.76 -0.02 0.00 -1.51 0.00 0.00 37.83 33.34 2kjb s LYS 70 CO 0.49 -0.16 0.77 0.00 -0.36 0.00 0.00 175.35 176.09 2kjb s ALA 71 N 1.26 3.48 -0.09 3.13 0.00 -1.26 -2.67 121.76 125.60 2kjb s ALA 71 Ca 0.03 -0.72 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 2kjb s ALA 71 Cb -0.14 -2.45 0.03 0.00 0.00 0.00 0.00 23.12 20.56 2kjb s ALA 71 CO -0.06 -0.46 0.29 0.21 0.00 0.00 0.00 175.76 175.74 2kjb s LYS 72 N -4.73 0.39 -0.04 0.00 2.20 -1.20 -4.92 119.74 111.45 2kjb s LYS 72 Ca 0.49 0.29 -0.01 0.00 -0.36 0.00 0.00 55.97 56.37 2kjb s LYS 72 Cb -0.10 0.19 0.03 0.00 -1.51 0.00 0.00 37.83 36.43 2kjb s LYS 72 CO 0.43 -0.06 0.05 -0.98 -0.36 0.00 0.00 175.35 174.42 2kjb s ARG 73 N -0.12 -0.01 -0.32 4.03 1.70 -1.26 -1.69 118.95 121.27 2kjb s ARG 73 Ca -0.03 0.30 0.06 0.00 -0.47 0.00 0.00 55.73 55.59 2kjb s ARG 73 Cb -0.03 -0.47 0.19 0.00 -0.57 0.00 0.00 34.95 34.08 2kjb s ARG 73 CO 0.01 -0.28 0.61 -1.14 -1.08 0.00 0.00 175.30 173.43 2kjb s GLN 74 N 1.82 0.61 0.00 3.89 2.00 -1.25 -5.03 119.66 121.70 2kjb s GLN 74 Ca 0.01 0.34 0.00 0.00 -2.00 0.00 0.00 55.36 53.71 2kjb s GLN 74 Cb -0.12 0.21 0.00 0.00 0.80 0.00 0.00 33.01 33.89 2kjb s GLN 74 CO -0.03 -1.06 0.00 0.41 -0.50 0.00 0.00 175.29 174.11 2kjb n GLY 75 N 5.16 0.39 5.80 2.59 0.00 -1.26 -4.84 105.19 113.02 2kjb n GLY 75 Ca 0.07 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 1.46 0.00 0.00 1.61 7.27 -1.26 -4.42 117.38 122.03 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 0.45 0.07 0.00 0.00 177.06 177.58 2kjb n SER 77 N 1.22 -0.62 -3.70 1.69 2.88 -1.26 -5.10 113.62 108.74 2kjb n SER 77 Ca 0.00 -0.44 -0.14 0.00 -1.33 0.00 0.00 58.87 56.96 2kjb n SER 77 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 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 -2.25 0.66 -0.23 -1.46 0.23 -1.26 -3.84 119.30 111.15 2kjb s MET 78 Ca 0.00 0.34 0.02 0.00 -1.03 0.00 0.00 55.69 55.02 2kjb s MET 78 Cb 0.00 0.31 0.04 0.00 -1.53 0.00 0.00 34.83 33.66 2kjb s MET 78 CO 0.00 -0.14 -0.14 0.42 -2.03 0.00 0.00 175.02 173.13 2kjb s ILE 79 N -0.44 2.10 -0.01 3.16 1.01 -0.68 -4.78 121.20 121.56 2kjb s ILE 79 Ca -0.06 -1.35 -0.06 0.00 0.00 0.00 0.00 60.65 59.18 2kjb s ILE 79 Cb -0.03 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 2kjb s ILE 79 CO 0.03 0.19 0.24 -0.72 0.00 0.00 0.00 174.94 174.68 2kjb s TYR 80 N 1.18 3.58 0.39 3.97 1.13 -1.26 -3.22 117.35 123.12 2kjb s TYR 80 Ca -0.04 0.55 -0.13 0.00 -1.41 0.00 0.00 57.07 56.04 2kjb s TYR 80 Cb -0.17 -1.97 0.05 0.00 -1.10 0.00 0.00 41.96 38.77 2kjb s TYR 80 CO -0.08 0.64 0.75 -1.54 -2.51 0.00 0.00 175.55 172.80 2kjb s SER 81 N -1.63 0.20 1.01 -0.18 1.04 -1.09 -4.89 113.70 108.16 2kjb s SER 81 Ca 0.26 -1.25 -0.02 0.00 0.48 0.00 0.00 55.95 55.41 2kjb s SER 81 Cb -0.13 0.84 0.03 0.00 0.10 0.00 0.00 66.02 66.86 2kjb s SER 81 CO 0.15 -1.66 0.15 0.00 0.98 0.00 0.00 173.24 172.85 2kjb n LEU 82 N -0.55 0.00 0.00 2.42 -0.00 -1.26 -2.57 117.00 115.05 2kjb n LEU 82 Ca -0.07 -0.16 0.00 0.00 -0.00 0.00 0.00 56.01 55.78 2kjb n LEU 82 Cb 0.60 -0.12 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 2kjb n LEU 82 CO 0.28 -0.83 0.00 -0.67 -0.00 0.00 0.00 177.39 176.17 2kjb n ASP 83 N -3.15 0.00 -4.57 1.45 2.03 -1.26 -4.63 116.55 106.42 2kjb n ASP 83 Ca 0.02 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.91 2kjb n ASP 83 Cb 0.07 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.44 2kjb n ASP 83 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2kjb s ASP 84 N -1.10 6.17 0.36 1.67 1.11 -1.26 -4.84 116.67 118.77 2kjb s ASP 84 Ca 0.00 0.13 0.19 0.00 0.18 0.00 0.00 52.55 53.04 2kjb s ASP 84 Cb 0.00 -2.55 0.49 0.00 1.07 0.00 0.00 42.92 41.94 2kjb s ASP 84 CO 0.00 -1.71 1.64 -0.29 1.18 0.00 0.00 175.17 175.99 2kjb h ILE 85 N 6.29 0.77 0.50 0.77 6.09 -2.00 -3.21 117.51 126.72 2kjb h ILE 85 Ca -0.27 -1.68 -0.02 0.00 -1.37 0.00 0.00 64.86 61.52 2kjb h ILE 85 Cb 1.08 2.08 -0.01 0.00 0.47 0.00 0.00 36.82 40.45 2kjb h ILE 85 CO 1.20 0.37 -0.36 0.45 -3.07 0.00 0.00 178.15 176.74 2kjb h HIS 86 N 0.00 -0.97 -0.77 2.19 3.86 -2.00 -2.01 115.15 115.44 2kjb h HIS 86 Ca -0.00 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.31 2kjb h HIS 86 Cb 1.05 0.36 -0.05 0.00 1.06 0.00 0.00 27.41 29.83 2kjb h HIS 86 CO 0.00 -0.51 0.51 -0.39 0.86 0.00 0.00 177.93 178.39 2kjb h VAL 87 N -0.82 0.92 -0.44 2.45 -1.51 -1.99 0.93 116.25 115.80 2kjb h VAL 87 Ca -0.07 -0.23 0.06 0.00 -1.23 0.00 0.00 66.70 65.24 2kjb h VAL 87 Cb 0.67 0.20 -0.05 0.00 -2.13 0.00 0.00 31.29 29.98 2kjb h VAL 87 CO 0.03 0.12 0.14 0.00 -1.23 0.00 0.00 177.57 176.63 2kjb h ALA 88 N 1.61 0.51 -0.02 5.19 0.00 -1.48 -1.05 119.26 124.03 2kjb h ALA 88 Ca 0.36 0.07 -0.22 0.00 0.00 0.00 0.00 54.91 55.12 2kjb h ALA 88 Cb 0.50 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.36 2kjb h ALA 88 CO -0.14 -0.26 -0.84 1.79 0.00 0.00 0.00 179.25 179.80 2kjb h THR 89 N 0.29 1.34 -0.91 0.00 1.35 -0.58 -3.17 112.91 111.23 2kjb h THR 89 Ca 0.21 -2.15 0.23 0.00 -0.55 0.00 0.00 66.41 64.15 2kjb h THR 89 Cb 0.22 2.42 -0.06 0.00 -1.73 0.00 0.00 68.15 69.01 2kjb h THR 89 CO -0.23 0.65 0.62 -0.03 -0.25 0.00 0.00 175.52 176.28 2kjb h MET 90 N 0.21 0.24 0.56 4.72 4.05 -0.49 -0.01 114.93 124.21 2kjb h MET 90 Ca -0.10 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.28 2kjb h MET 90 Cb 1.51 -0.05 0.01 0.00 -0.80 0.00 0.00 31.60 32.27 2kjb h MET 90 CO 0.17 0.16 -0.27 1.25 0.23 0.00 0.00 176.91 178.45 2kjb h LEU 91 N 0.25 -0.64 -0.78 3.39 6.46 -1.18 -2.99 115.31 119.83 2kjb h LEU 91 Ca 0.46 0.01 0.17 0.00 -0.12 0.00 0.00 57.88 58.41 2kjb h LEU 91 Cb 1.40 0.16 -0.11 0.00 -0.73 0.00 0.00 40.66 41.38 2kjb h LEU 91 CO -0.12 -0.23 0.23 0.50 -0.62 0.00 0.00 178.44 178.19 2kjb h LYS 92 N -1.19 0.30 -0.23 1.25 3.64 -1.33 0.82 116.57 119.83 2kjb h LYS 92 Ca -0.08 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.35 2kjb h LYS 92 Cb 0.59 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2kjb h LYS 92 CO 0.13 0.20 0.26 1.96 -2.27 0.00 0.00 179.45 179.72 2kjb h GLN 93 N 0.30 0.00 0.02 1.90 4.20 -1.04 -0.73 115.11 119.75 2kjb h GLN 93 Ca 0.45 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 59.07 2kjb h GLN 93 Cb 0.79 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.58 2kjb h GLN 93 CO -0.52 0.00 -0.39 0.00 -0.67 0.00 0.00 178.83 177.26 2kjb h ALA 94 N 1.69 0.02 0.00 3.87 0.00 0.81 -2.89 119.26 122.77 2kjb h ALA 94 Ca 0.11 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2kjb h ALA 94 Cb 0.63 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2kjb h ALA 94 CO -0.00 0.18 0.00 -0.89 0.00 0.00 0.00 179.25 178.54 2kjb n ILE 95 N -4.40 0.78 -0.09 0.00 2.08 -0.34 -2.69 119.36 114.71 2kjb n ILE 95 Ca -0.10 0.20 -0.13 0.00 0.56 0.00 0.00 62.75 63.27 2kjb n ILE 95 Cb 0.58 -1.06 -0.06 0.00 -0.75 0.00 0.00 39.64 38.35 2kjb n ILE 95 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 2kjb n HIS 96 N -1.27 0.76 -0.28 1.39 8.25 -0.83 -4.32 115.22 118.92 2kjb n HIS 96 Ca 0.04 0.33 0.09 0.00 -0.26 0.00 0.00 57.72 57.93 2kjb n HIS 96 Cb 0.06 -0.87 0.25 0.00 1.12 0.00 0.00 29.99 30.54 2kjb n HIS 96 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kjb h HIS 97 N -1.00 0.51 0.00 4.41 3.86 -1.29 0.96 115.15 122.60 2kjb h HIS 97 Ca -0.19 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 2kjb h HIS 97 Cb 0.94 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.32 2kjb h HIS 97 CO -0.12 -0.04 0.00 0.00 0.86 0.00 0.00 177.93 178.62 2kjb n ALA 98 N -2.56 1.28 -2.68 2.45 0.00 -1.17 -4.19 120.51 113.64 2kjb n ALA 98 Ca 0.18 -0.01 -0.43 0.00 0.00 0.00 0.00 53.44 53.19 2kjb n ALA 98 Cb 0.55 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 -2.57 6.86 0.11 0.00 2.47 0.33 -4.76 114.94 117.39 2kjb s ASN 99 Ca 0.01 -2.49 -0.05 0.00 0.42 0.00 0.00 52.86 50.76 2kjb s ASN 99 Cb 0.01 -2.53 -0.16 0.00 -1.45 0.00 0.00 41.25 37.12 2kjb s ASN 99 CO 0.02 -1.09 1.25 0.45 -3.72 0.00 0.00 177.10 174.01 2kjb h HIS 100 N 7.69 0.58 -2.75 0.43 3.86 -1.83 -3.47 115.15 119.66 2kjb h HIS 100 Ca 0.39 -0.35 -0.45 0.00 -1.16 0.00 0.00 60.37 58.80 2kjb h HIS 100 Cb 0.89 -0.05 0.06 0.00 1.06 0.00 0.00 27.41 29.37 2kjb h HIS 100 CO 1.33 1.20 0.06 -1.25 0.86 0.00 0.00 177.93 180.13 2kjb s PRO 101 N -3.06 2.25 1.02 2.45 0.04 -1.26 -5.07 135.00 131.37 2kjb s PRO 101 Ca -0.05 -0.72 -0.12 0.00 0.04 0.00 0.00 61.00 60.15 2kjb s PRO 101 Cb 0.08 -2.37 0.21 0.00 0.04 0.00 0.00 34.50 32.46 2kjb s PRO 101 CO 0.87 -1.02 1.08 0.15 0.04 0.00 0.00 177.00 178.13 2kjb s LYS 102 N -4.97 0.18 0.00 4.56 1.02 -1.26 -5.20 119.74 114.07 2kjb s LYS 102 Ca 0.60 1.07 0.11 0.00 0.02 0.00 0.00 55.97 57.77 2kjb s LYS 102 Cb -0.09 -1.67 0.64 0.00 -0.52 0.00 0.00 37.83 36.19 2kjb s LYS 102 CO 0.41 -3.05 1.08 -0.85 -0.92 0.00 0.00 175.35 172.02