#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 3.19 0.00 3.41 -2.24 -1.26 -2.72 114.28 114.65 2kjb n THR 10 Ca 0.00 -1.84 0.00 0.00 -2.27 0.00 0.00 64.05 59.94 2kjb n THR 10 Cb 0.00 -2.27 0.00 0.00 -2.10 0.00 0.00 70.33 65.96 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 3.55 0.00 -0.09 3.42 -0.08 -1.26 -4.76 116.55 117.33 2kjb n ASP 11 Ca 0.56 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.66 2kjb n ASP 11 Cb 0.32 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.67 2kjb n ASP 11 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2kjb h THR 12 N 0.00 1.26 -0.00 5.18 2.02 -2.00 -3.35 112.91 116.02 2kjb h THR 12 Ca 0.00 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 64.99 2kjb h THR 12 Cb 0.00 2.62 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 2kjb h THR 12 CO 0.00 0.43 -0.26 0.18 0.37 0.00 0.00 175.52 176.23 2kjb n LEU 13 N -4.53 0.60 -0.29 2.58 4.77 -1.22 -4.01 117.00 114.90 2kjb n LEU 13 Ca -0.21 -0.02 0.06 0.00 -0.03 0.00 0.00 56.01 55.80 2kjb n LEU 13 Cb 0.56 -0.22 0.27 0.00 -2.33 0.00 0.00 43.42 41.70 2kjb n LEU 13 CO 0.25 0.12 1.24 -0.08 -1.33 0.00 0.00 177.39 177.59 2kjb h GLU 14 N 0.53 0.93 0.00 3.23 4.57 -1.75 0.71 114.58 122.80 2kjb h GLU 14 Ca 0.00 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.07 2kjb h GLU 14 Cb 0.46 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 2kjb h GLU 14 CO 0.00 0.62 -0.21 0.00 -1.18 0.00 0.00 179.01 178.24 2kjb h ARG 15 N 0.96 0.13 0.00 1.92 3.08 -1.77 -2.88 114.38 115.81 2kjb h ARG 15 Ca 0.40 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 2kjb h ARG 15 Cb 0.30 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 2kjb h ARG 15 CO -0.16 0.91 -0.09 0.28 -1.07 0.00 0.00 179.97 179.84 2kjb h VAL 16 N -0.58 0.30 -0.00 2.04 2.07 -1.69 -2.07 116.25 116.31 2kjb h VAL 16 Ca -0.03 -0.62 -0.16 0.00 0.82 0.00 0.00 66.70 66.71 2kjb h VAL 16 Cb 0.99 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 2kjb h VAL 16 CO 0.04 0.09 -0.77 0.74 0.02 0.00 0.00 177.57 177.69 2kjb h THR 17 N 0.00 1.54 0.00 2.57 2.02 0.43 -3.06 112.91 116.40 2kjb h THR 17 Ca -0.00 -2.59 -0.09 0.00 0.77 0.00 0.00 66.41 64.51 2kjb h THR 17 Cb 0.46 2.40 -0.01 0.00 -1.74 0.00 0.00 68.15 69.26 2kjb h THR 17 CO 0.01 0.74 -0.41 -0.08 0.37 0.00 0.00 175.52 176.16 2kjb h GLU 18 N 0.02 0.00 0.58 6.66 4.81 -1.15 -3.08 114.58 122.43 2kjb h GLU 18 Ca -0.01 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2kjb h GLU 18 Cb 1.36 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.74 2kjb h GLU 18 CO 0.10 0.41 -0.28 0.82 -0.73 0.00 0.00 179.01 179.33 2kjb h ILE 19 N 0.00 0.31 -0.91 2.32 2.04 -1.45 -1.57 117.51 118.25 2kjb h ILE 19 Ca -0.00 -0.31 0.16 0.00 1.00 0.00 0.00 64.86 65.71 2kjb h ILE 19 Cb 0.85 0.40 -0.10 0.00 -0.74 0.00 0.00 36.82 37.24 2kjb h ILE 19 CO 0.05 0.04 0.51 -0.26 0.00 0.00 0.00 178.15 178.49 2kjb h PHE 20 N -1.01 0.89 -0.00 1.37 0.04 -1.59 0.49 116.94 117.13 2kjb h PHE 20 Ca -0.08 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2kjb h PHE 20 Cb 0.66 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.55 2kjb h PHE 20 CO 0.00 0.22 0.00 1.63 -0.60 0.00 0.00 178.31 179.56 2kjb n LYS 21 N -4.82 1.10 0.34 1.51 5.02 -1.16 -4.07 118.16 116.09 2kjb n LYS 21 Ca 0.19 -0.14 -0.17 0.00 -2.02 0.00 0.00 58.31 56.17 2kjb n LYS 21 Cb 0.47 -1.47 -0.08 0.00 -0.02 0.00 0.00 35.03 33.92 2kjb n LYS 21 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kjb h ALA 22 N 4.00 -0.87 -3.00 7.82 0.00 0.10 -3.45 119.26 123.87 2kjb h ALA 22 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2kjb h ALA 22 Cb 0.07 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2kjb h ALA 22 CO 0.00 -0.92 0.00 1.47 0.00 0.00 0.00 179.25 179.80 2kjb n LEU 23 N -5.42 0.00 0.00 0.00 -0.00 -1.26 -4.98 117.00 105.34 2kjb n LEU 23 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.88 2kjb n LEU 23 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 2kjb n LEU 23 CO 0.35 -1.16 0.00 0.61 -0.00 0.00 0.00 177.39 177.19 2kjb n GLY 24 N 0.58 -0.20 3.51 1.47 0.00 -1.26 -5.09 105.19 104.20 2kjb n GLY 24 Ca 0.00 0.55 -0.50 0.00 0.00 0.00 0.00 46.02 46.07 2kjb n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kjb n ASP 25 N 0.00 2.41 -0.53 1.61 9.92 -1.26 -4.76 116.55 123.94 2kjb n ASP 25 Ca 0.00 0.53 0.43 0.00 -0.53 0.00 0.00 54.79 55.22 2kjb n ASP 25 Cb 0.00 -1.29 0.71 0.00 -0.64 0.00 0.00 41.12 39.90 2kjb n ASP 25 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2kjb n TYR 26 N 9.17 0.50 0.00 1.24 4.01 -1.26 0.17 117.16 130.99 2kjb n TYR 26 Ca 0.37 0.50 0.00 0.00 -0.16 0.00 0.00 57.90 58.61 2kjb n TYR 26 Cb 0.24 -0.95 0.00 0.00 -0.31 0.00 0.00 39.34 38.32 2kjb n TYR 26 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2kjb n ASN 27 N -4.46 0.00 -0.00 7.72 2.04 -1.26 -2.53 115.26 116.77 2kjb n ASN 27 Ca 0.41 0.07 -0.10 0.00 -0.44 0.00 0.00 54.58 54.51 2kjb n ASN 27 Cb 1.67 -0.07 -0.05 0.00 -2.53 0.00 0.00 39.78 38.80 2kjb n ASN 27 CO 0.00 0.00 0.00 -0.09 -0.44 0.00 0.00 177.26 176.73 2kjb h ARG 28 N 0.00 0.07 -0.43 -3.83 1.12 0.13 -2.18 114.38 109.26 2kjb h ARG 28 Ca 0.00 -0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.85 2kjb h ARG 28 Cb 0.00 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 29.93 2kjb h ARG 28 CO 0.00 0.04 0.21 0.82 -3.11 0.00 0.00 179.97 177.93 2kjb h ILE 29 N 0.07 1.18 0.00 1.20 2.04 -1.73 -0.63 117.51 119.64 2kjb h ILE 29 Ca 0.05 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.40 2kjb h ILE 29 Cb 0.04 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2kjb h ILE 29 CO -0.06 0.19 0.00 -1.14 0.00 0.00 0.00 178.15 177.14 2kjb n ARG 30 N -4.67 0.00 -0.27 2.37 0.63 -1.07 -0.16 116.66 113.48 2kjb n ARG 30 Ca 0.01 0.56 0.06 0.00 -0.92 0.00 0.00 57.85 57.55 2kjb n ARG 30 Cb 0.11 -1.37 0.20 0.00 0.45 0.00 0.00 32.46 31.86 2kjb n ARG 30 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 2kjb h ILE 31 N 0.00 0.69 0.00 5.15 2.10 -1.47 0.43 117.51 124.42 2kjb h ILE 31 Ca 0.00 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.76 2kjb h ILE 31 Cb 0.00 0.12 0.00 0.00 -1.09 0.00 0.00 36.82 35.85 2kjb h ILE 31 CO 0.00 0.10 0.00 -0.03 -1.08 0.00 0.00 178.15 177.14 2kjb h MET 32 N 0.52 0.00 0.00 2.19 4.05 -0.91 -2.89 114.93 117.89 2kjb h MET 32 Ca 0.43 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.85 2kjb h MET 32 Cb 0.64 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 2kjb h MET 32 CO -0.38 0.00 0.00 -1.91 0.23 0.00 0.00 176.91 174.85 2kjb n GLU 33 N -3.01 0.00 -0.12 0.39 2.13 0.15 -2.73 120.64 117.45 2kjb n GLU 33 Ca -0.02 0.47 0.23 0.00 0.66 0.00 0.00 57.16 58.51 2kjb n GLU 33 Cb 0.14 -1.24 0.67 0.00 0.27 0.00 0.00 31.44 31.28 2kjb n GLU 33 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2kjb h LEU 34 N 0.00 0.08 -1.65 4.31 5.85 -1.56 0.61 115.31 122.95 2kjb h LEU 34 Ca 0.00 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2kjb h LEU 34 Cb 0.00 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2kjb h LEU 34 CO 0.00 0.04 -0.20 0.25 -0.34 0.00 0.00 178.44 178.18 2kjb h LEU 35 N 0.08 0.00 -1.05 2.25 6.46 -1.57 -1.32 115.31 120.16 2kjb h LEU 35 Ca 0.36 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.12 2kjb h LEU 35 Cb 1.32 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.25 2kjb h LEU 35 CO -0.03 0.20 0.37 0.28 -0.62 0.00 0.00 178.44 178.64 2kjb h SER 36 N 0.00 0.00 -0.29 1.25 0.02 0.43 -3.10 113.55 111.86 2kjb h SER 36 Ca -0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 2kjb h SER 36 Cb 0.40 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.79 2kjb h SER 36 CO 0.03 0.00 -0.39 0.55 -1.14 0.00 0.00 176.83 175.87 2kjb n VAL 37 N -2.26 0.00 -3.62 2.27 3.14 -0.51 -5.10 118.33 112.25 2kjb n VAL 37 Ca -0.01 -1.12 -0.03 0.00 -2.96 0.00 0.00 64.34 60.21 2kjb n VAL 37 Cb 0.39 1.22 -0.01 0.00 -1.06 0.00 0.00 33.84 34.38 2kjb n VAL 37 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2kjb s SER 38 N -0.55 -0.17 -0.23 6.55 0.01 -1.15 -4.98 113.70 113.18 2kjb s SER 38 Ca 0.30 -0.13 -0.08 0.00 1.31 0.00 0.00 55.95 57.34 2kjb s SER 38 Cb 0.15 0.28 0.10 0.00 0.21 0.00 0.00 66.02 66.76 2kjb s SER 38 CO -0.16 -0.48 0.51 -1.61 0.41 0.00 0.00 173.24 171.91 2kjb s GLU 39 N -2.76 0.43 0.27 12.44 2.02 -1.26 -4.89 118.70 124.95 2kjb s GLU 39 Ca 0.10 1.17 -0.13 0.00 0.02 0.00 0.00 54.97 56.14 2kjb s GLU 39 Cb 0.01 0.49 0.05 0.00 0.10 0.00 0.00 34.13 34.77 2kjb s GLU 39 CO -0.04 -0.22 0.65 0.00 0.02 0.00 0.00 175.26 175.67 2kjb n ALA 40 N 5.29 -1.54 -1.12 5.21 0.00 -1.26 -5.16 120.51 121.94 2kjb n ALA 40 Ca -0.11 -0.94 -0.02 0.00 0.00 0.00 0.00 53.44 52.37 2kjb n ALA 40 Cb 0.50 0.70 0.02 0.00 0.00 0.00 0.00 19.45 20.67 2kjb n ALA 40 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2kjb n SER 41 N -1.35 0.01 0.03 0.00 7.64 -1.26 -4.81 113.62 113.89 2kjb n SER 41 Ca -0.06 -1.05 -0.19 0.00 1.01 0.00 0.00 58.87 58.59 2kjb n SER 41 Cb 0.46 -0.09 -0.14 0.00 -1.01 0.00 0.00 64.21 63.43 2kjb n SER 41 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2kjb h VAL 42 N -1.05 1.52 0.00 0.44 2.07 -2.01 -3.31 116.25 113.91 2kjb h VAL 42 Ca -0.04 -2.45 -0.10 0.00 0.82 0.00 0.00 66.70 64.94 2kjb h VAL 42 Cb 0.11 3.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 2kjb h VAL 42 CO 0.03 0.69 -0.47 1.23 0.02 0.00 0.00 177.57 179.07 2kjb h GLY 43 N -0.37 0.00 1.93 2.17 0.00 -1.95 -2.99 103.07 101.86 2kjb h GLY 43 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 2kjb h GLY 43 CO 0.14 0.00 0.01 0.45 0.00 0.00 0.00 176.54 177.13 2kjb h HIS 44 N 0.00 0.09 0.00 5.60 -0.00 -1.94 -1.13 115.15 117.77 2kjb h HIS 44 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 2kjb h HIS 44 Cb 1.03 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 28.41 2kjb h HIS 44 CO 0.00 0.09 -0.08 0.82 -0.00 0.00 0.00 177.93 178.76 2kjb h ILE 45 N 0.10 0.96 0.03 2.45 1.08 -1.60 -1.49 117.51 119.03 2kjb h ILE 45 Ca 0.02 -0.29 -0.00 0.00 -0.39 0.00 0.00 64.86 64.21 2kjb h ILE 45 Cb 0.06 1.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 2kjb h ILE 45 CO -0.00 0.08 -0.02 -1.28 -0.69 0.00 0.00 178.15 176.24 2kjb h SER 46 N 0.00 -0.04 -0.26 1.72 0.87 -1.34 -3.25 113.55 111.25 2kjb h SER 46 Ca -0.00 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 2kjb h SER 46 Cb 0.15 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.07 2kjb h SER 46 CO 0.01 -0.01 -0.08 -0.74 -0.53 0.00 0.00 176.83 175.48 2kjb h HIS 47 N -0.08 -0.18 -0.38 2.24 -0.00 -1.59 2.14 115.15 117.29 2kjb h HIS 47 Ca -0.00 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.43 2kjb h HIS 47 Cb 0.03 0.12 -0.05 0.00 -0.00 0.00 0.00 27.41 27.52 2kjb h HIS 47 CO 0.09 -0.14 -0.23 1.96 -0.00 0.00 0.00 177.93 179.62 2kjb h GLN 48 N -0.03 -0.00 -0.20 5.26 1.08 -1.42 -2.84 115.11 116.96 2kjb h GLN 48 Ca 0.13 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.28 2kjb h GLN 48 Cb 0.22 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 2kjb h GLN 48 CO -0.28 -0.00 -0.07 1.47 -0.95 0.00 0.00 178.83 179.00 2kjb n LEU 49 N -3.87 3.46 -2.69 1.46 -0.00 -1.18 -5.04 117.00 109.14 2kjb n LEU 49 Ca 0.01 -3.33 -0.04 0.00 -0.00 0.00 0.00 56.01 52.66 2kjb n LEU 49 Cb 0.10 -0.54 -0.03 0.00 -0.00 0.00 0.00 43.42 42.95 2kjb n LEU 49 CO -0.06 0.91 -0.58 -3.20 -0.00 0.00 0.00 177.39 174.46 2kjb n ASN 50 N -0.97 -3.22 -3.53 1.45 5.15 0.71 -5.02 115.26 109.83 2kjb n ASN 50 Ca 0.23 1.32 -0.13 0.00 -0.60 0.00 0.00 54.58 55.40 2kjb n ASN 50 Cb 0.85 -4.91 -0.05 0.00 -0.53 0.00 0.00 39.78 35.15 2kjb n ASN 50 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2kjb s LEU 51 N -0.90 -0.50 -0.53 1.20 2.96 -0.17 -4.97 118.68 115.76 2kjb s LEU 51 Ca -0.18 0.44 -0.28 0.00 -0.22 0.00 0.00 54.13 53.88 2kjb s LEU 51 Cb 0.01 2.21 0.03 0.00 0.50 0.00 0.00 46.19 48.94 2kjb s LEU 51 CO 0.71 -0.54 1.24 -0.94 -1.32 0.00 0.00 176.35 175.50 2kjb s SER 52 N -1.47 6.44 0.00 3.68 1.04 -1.26 -4.07 113.70 118.05 2kjb s SER 52 Ca -0.04 0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.73 2kjb s SER 52 Cb -0.00 -2.55 0.19 0.00 0.10 0.00 0.00 66.02 63.76 2kjb s SER 52 CO 0.02 -1.45 0.65 0.00 0.98 0.00 0.00 173.24 173.44 2kjb n GLN 53 N 8.28 0.11 -0.03 4.02 10.64 -1.26 -2.25 117.38 136.88 2kjb n GLN 53 Ca 0.11 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.14 2kjb n GLN 53 Cb 0.49 -1.47 -0.10 0.00 -0.86 0.00 0.00 30.24 28.30 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 0.19 0.93 2.61 0.02 -1.96 -3.30 113.55 112.04 2kjb h SER 54 Ca 0.00 -0.65 -0.22 0.00 -0.84 0.00 0.00 61.79 60.08 2kjb h SER 54 Cb 0.00 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 2kjb h SER 54 CO 0.00 0.81 -1.07 -0.55 -1.14 0.00 0.00 176.83 174.87 2kjb h ASN 55 N -0.41 0.04 0.00 3.07 -0.00 -1.87 -3.34 115.58 113.06 2kjb h ASN 55 Ca -0.01 -0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.25 2kjb h ASN 55 Cb 0.80 -0.01 0.00 0.00 -0.00 0.00 0.00 38.32 39.10 2kjb h ASN 55 CO 0.03 1.03 0.00 0.52 -0.00 0.00 0.00 177.43 179.02 2kjb n VAL 56 N -3.35 0.00 -0.32 6.14 0.31 -1.19 0.19 118.33 120.11 2kjb n VAL 56 Ca -0.02 1.21 0.22 0.00 -0.01 0.00 0.00 64.34 65.74 2kjb n VAL 56 Cb 0.96 -1.87 0.44 0.00 -0.91 0.00 0.00 33.84 32.45 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 0.23 0.84 4.52 0.87 -1.75 2.17 113.55 120.43 2kjb h SER 57 Ca 0.00 0.22 -0.05 0.00 -1.23 0.00 0.00 61.79 60.73 2kjb h SER 57 Cb 0.00 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 2kjb h SER 57 CO 0.00 -0.24 -0.22 -0.74 -0.53 0.00 0.00 176.83 175.11 2kjb h HIS 58 N 0.19 0.00 0.19 2.24 6.17 -1.40 -3.12 115.15 119.41 2kjb h HIS 58 Ca 0.70 0.00 -0.31 0.00 0.71 0.00 0.00 60.37 61.47 2kjb h HIS 58 Cb 1.62 0.00 0.03 0.00 2.52 0.00 0.00 27.41 31.58 2kjb h HIS 58 CO -0.13 0.22 -1.35 0.37 0.71 0.00 0.00 177.93 177.75 2kjb h GLN 59 N 0.00 0.49 -0.18 5.26 4.15 1.45 -3.35 115.11 122.93 2kjb h GLN 59 Ca -0.00 -0.78 -0.01 0.00 0.77 0.00 0.00 58.65 58.63 2kjb h GLN 59 Cb 0.69 0.28 -0.01 0.00 0.21 0.00 0.00 27.48 28.66 2kjb h GLN 59 CO 0.03 1.36 0.08 -0.07 -1.93 0.00 0.00 178.83 178.30 2kjb h LEU 60 N 0.16 0.25 -0.96 -2.39 3.38 -1.12 -2.89 115.31 111.75 2kjb h LEU 60 Ca -0.21 -0.15 0.29 0.00 0.09 0.00 0.00 57.88 57.90 2kjb h LEU 60 Cb 2.05 -0.06 -0.15 0.00 0.09 0.00 0.00 40.66 42.58 2kjb h LEU 60 CO 0.25 0.33 0.42 0.07 0.09 0.00 0.00 178.44 179.60 2kjb h LYS 61 N 0.15 0.25 0.00 1.13 2.10 -1.69 0.67 116.57 119.20 2kjb h LYS 61 Ca 0.06 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 2kjb h LYS 61 Cb 0.15 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 2kjb h LYS 61 CO -0.01 0.17 0.00 -0.11 -2.00 0.00 0.00 179.45 177.50 2kjb n LEU 62 N -5.14 0.00 -0.33 7.07 7.94 -1.09 -1.18 117.00 124.26 2kjb n LEU 62 Ca 0.28 0.99 -0.03 0.00 -1.11 0.00 0.00 56.01 56.13 2kjb n LEU 62 Cb 0.87 -0.49 0.02 0.00 0.53 0.00 0.00 43.42 44.35 2kjb n LEU 62 CO 0.07 -0.49 0.59 -0.07 -1.11 0.00 0.00 177.39 176.39 2kjb h LEU 63 N 0.00 -1.43 -0.45 -1.96 3.38 -1.34 0.14 115.31 113.66 2kjb h LEU 63 Ca 0.00 0.29 0.09 0.00 0.09 0.00 0.00 57.88 58.35 2kjb h LEU 63 Cb 0.00 0.73 -0.09 0.00 0.09 0.00 0.00 40.66 41.39 2kjb h LEU 63 CO 0.00 -0.29 -0.10 0.50 0.09 0.00 0.00 178.44 178.63 2kjb h LYS 64 N -0.05 0.01 -0.60 1.13 3.64 -0.88 -0.55 116.57 119.26 2kjb h LYS 64 Ca 0.30 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.74 2kjb h LYS 64 Cb 0.57 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.36 2kjb h LYS 64 CO -0.90 0.01 0.40 1.03 -2.27 0.00 0.00 179.45 177.72 2kjb h SER 65 N 0.01 0.50 0.13 4.20 0.87 0.76 0.61 113.55 120.64 2kjb h SER 65 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2kjb h SER 65 Cb 0.33 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2kjb h SER 65 CO -0.46 0.33 0.00 0.52 -0.53 0.00 0.00 176.83 176.69 2kjb n VAL 66 N -4.48 0.03 -1.42 2.23 0.31 -0.24 -4.87 118.33 109.90 2kjb n VAL 66 Ca 0.09 0.01 -0.06 0.00 -0.01 0.00 0.00 64.34 64.37 2kjb n VAL 66 Cb 0.25 -0.56 -0.02 0.00 -0.91 0.00 0.00 33.84 32.59 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 -1.07 -0.07 0.60 3.52 -0.00 0.21 -4.91 115.22 113.49 2kjb n HIS 67 Ca 0.19 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.48 2kjb n HIS 67 Cb 0.13 -1.47 0.02 0.00 -0.12 0.00 0.00 29.99 28.55 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 -0.71 0.62 -3.76 0.27 4.77 -1.12 -4.93 117.00 112.14 2kjb n LEU 68 Ca -0.06 -0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 55.74 2kjb n LEU 68 Cb 0.29 -0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 41.17 2kjb n LEU 68 CO 0.09 0.06 -0.01 -0.69 -1.33 0.00 0.00 177.39 175.50 2kjb s VAL 69 N -3.18 -0.00 0.47 4.08 1.01 -1.26 -4.62 120.40 116.90 2kjb s VAL 69 Ca 0.04 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.07 2kjb s VAL 69 Cb 0.15 -0.46 0.04 0.00 0.00 0.00 0.00 36.38 36.11 2kjb s VAL 69 CO 0.80 0.00 0.34 0.29 0.00 0.00 0.00 175.10 176.54 2kjb n LYS 70 N 3.01 0.80 -3.77 2.72 5.02 -0.46 -4.25 118.16 121.24 2kjb n LYS 70 Ca -0.14 -2.94 -0.02 0.00 -2.02 0.00 0.00 58.31 53.19 2kjb n LYS 70 Cb 0.57 0.33 -0.00 0.00 -0.02 0.00 0.00 35.03 35.91 2kjb n LYS 70 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kjb s ALA 71 N -2.68 -1.76 0.03 7.82 0.00 -1.26 -1.89 121.76 122.02 2kjb s ALA 71 Ca 0.26 0.11 -0.22 0.00 0.00 0.00 0.00 51.96 52.11 2kjb s ALA 71 Cb -0.02 0.62 0.05 0.00 0.00 0.00 0.00 23.12 23.77 2kjb s ALA 71 CO 0.16 -1.05 0.49 -1.59 0.00 0.00 0.00 175.76 173.77 2kjb s LYS 72 N -2.83 0.97 -0.28 0.00 -2.85 -1.22 -5.01 119.74 108.54 2kjb s LYS 72 Ca 0.15 -0.21 -0.09 0.00 -1.00 0.00 0.00 55.97 54.83 2kjb s LYS 72 Cb -0.01 0.44 -0.02 0.00 -2.06 0.00 0.00 37.83 36.18 2kjb s LYS 72 CO 0.02 -0.34 0.12 0.50 0.10 0.00 0.00 175.35 175.75 2kjb s ARG 73 N -2.20 3.59 -0.45 1.78 3.52 -1.26 -2.97 118.95 120.95 2kjb s ARG 73 Ca -0.07 -0.54 0.06 0.00 -0.13 0.00 0.00 55.73 55.06 2kjb s ARG 73 Cb -0.01 -3.47 0.32 0.00 -1.56 0.00 0.00 34.95 30.23 2kjb s ARG 73 CO 0.00 -0.27 1.15 0.00 -0.81 0.00 0.00 175.30 175.37 2kjb n GLN 74 N 4.97 0.99 0.00 5.12 10.64 -1.26 -5.02 117.38 132.82 2kjb n GLN 74 Ca -0.15 -1.86 0.00 0.00 -1.83 0.00 0.00 57.00 53.16 2kjb n GLN 74 Cb 0.51 -0.92 0.00 0.00 -0.86 0.00 0.00 30.24 28.97 2kjb n GLN 74 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2kjb n GLY 75 N 0.29 0.10 6.06 2.61 0.00 -1.26 -5.00 105.19 108.00 2kjb n GLY 75 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2kjb n GLY 75 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kjb n GLN 76 N 0.00 0.00 -0.88 1.61 6.02 -1.26 -4.60 117.38 118.27 2kjb n GLN 76 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 2kjb n GLN 76 Cb 0.00 0.00 0.15 0.00 1.02 0.00 0.00 30.24 31.41 2kjb n GLN 76 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2kjb s SER 77 N -4.00 3.22 -0.15 1.08 0.15 -1.26 -5.00 113.70 107.75 2kjb s SER 77 Ca 0.00 1.97 -0.02 0.00 0.70 0.00 0.00 55.95 58.60 2kjb s SER 77 Cb 0.00 -2.50 -0.02 0.00 -1.71 0.00 0.00 66.02 61.79 2kjb s SER 77 CO 0.00 -2.87 -0.09 0.00 1.20 0.00 0.00 173.24 171.47 2kjb s MET 78 N -4.73 3.47 -0.17 5.44 0.23 -1.26 -4.21 119.30 118.08 2kjb s MET 78 Ca 0.65 -0.63 -0.23 0.00 -1.03 0.00 0.00 55.69 54.45 2kjb s MET 78 Cb -0.21 -2.76 -0.02 0.00 -1.53 0.00 0.00 34.83 30.31 2kjb s MET 78 CO 0.58 0.18 0.74 0.42 -2.03 0.00 0.00 175.02 174.91 2kjb s ILE 79 N 0.47 4.95 0.37 3.16 1.01 -1.16 -4.89 121.20 125.11 2kjb s ILE 79 Ca -0.07 1.44 -0.16 0.00 0.00 0.00 0.00 60.65 61.86 2kjb s ILE 79 Cb -0.15 -4.05 -0.09 0.00 0.01 0.00 0.00 42.46 38.17 2kjb s ILE 79 CO 0.04 0.08 0.81 -0.31 0.00 0.00 0.00 174.94 175.56 2kjb s TYR 80 N 1.92 3.37 -0.07 3.97 1.51 -1.26 -3.40 117.35 123.39 2kjb s TYR 80 Ca 0.35 1.32 -0.26 0.00 -1.01 0.00 0.00 57.07 57.47 2kjb s TYR 80 Cb -0.16 -2.62 0.06 0.00 -0.11 0.00 0.00 41.96 39.12 2kjb s TYR 80 CO 0.12 -0.01 0.58 0.45 -1.11 0.00 0.00 175.55 175.59 2kjb s SER 81 N -2.38 -0.55 0.00 2.29 0.15 -0.79 -4.99 113.70 107.42 2kjb s SER 81 Ca 0.56 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.88 2kjb s SER 81 Cb -0.10 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 2kjb s SER 81 CO 0.18 -0.50 0.00 0.18 1.20 0.00 0.00 173.24 174.30 2kjb n LEU 82 N 1.32 0.00 0.01 3.45 4.77 -1.26 -1.35 117.00 123.94 2kjb n LEU 82 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2kjb n LEU 82 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2kjb n LEU 82 CO 0.20 -0.20 0.00 -0.90 -1.33 0.00 0.00 177.39 175.17 2kjb n ASP 83 N 0.00 -0.20 -4.55 -1.43 5.75 -1.26 -4.32 116.55 110.54 2kjb n ASP 83 Ca 0.00 0.05 -0.39 0.00 -0.01 0.00 0.00 54.79 54.45 2kjb n ASP 83 Cb 0.00 0.53 -0.03 0.00 -1.03 0.00 0.00 41.12 40.59 2kjb n ASP 83 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 2kjb s ASP 84 N -1.06 5.37 0.00 -1.12 -4.77 -1.26 -4.80 116.67 109.03 2kjb s ASP 84 Ca 0.00 0.27 0.01 0.00 -3.30 0.00 0.00 52.55 49.53 2kjb s ASP 84 Cb 0.00 -2.53 0.06 0.00 -1.09 0.00 0.00 42.92 39.36 2kjb s ASP 84 CO 0.00 -2.31 0.49 2.30 0.70 0.00 0.00 175.17 176.35 2kjb n ILE 85 N 7.13 0.00 0.14 2.11 -5.35 -1.26 -2.63 119.36 119.50 2kjb n ILE 85 Ca 0.19 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.68 2kjb n ILE 85 Cb 0.52 -0.32 0.14 0.00 -1.74 0.00 0.00 39.64 38.23 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 0.00 0.05 4.28 2.76 -2.03 -3.20 115.15 117.01 2kjb h HIS 86 Ca 0.00 0.00 -0.23 0.00 -2.20 0.00 0.00 60.37 57.94 2kjb h HIS 86 Cb 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 2kjb h HIS 86 CO 0.00 0.56 -1.05 0.28 -1.30 0.00 0.00 177.93 176.42 2kjb h VAL 87 N 0.00 1.57 -0.41 5.26 2.07 -1.92 -3.03 116.25 119.79 2kjb h VAL 87 Ca -0.01 -3.04 0.08 0.00 0.82 0.00 0.00 66.70 64.56 2kjb h VAL 87 Cb 1.23 2.76 -0.09 0.00 -1.52 0.00 0.00 31.29 33.67 2kjb h VAL 87 CO 0.07 0.88 -0.28 0.00 0.02 0.00 0.00 177.57 178.26 2kjb h ALA 88 N 0.84 -0.08 0.05 1.67 0.00 -1.75 -2.02 119.26 117.97 2kjb h ALA 88 Ca -0.07 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kjb h ALA 88 Cb 1.76 0.63 0.00 0.00 0.00 0.00 0.00 17.79 20.18 2kjb h ALA 88 CO 0.16 -0.67 -0.02 0.00 0.00 0.00 0.00 179.25 178.72 2kjb h THR 89 N -0.21 1.30 -0.96 0.00 1.03 -1.70 -2.93 112.91 109.44 2kjb h THR 89 Ca 0.19 -1.31 0.36 0.00 -0.01 0.00 0.00 66.41 65.64 2kjb h THR 89 Cb 0.51 2.14 -0.17 0.00 -1.07 0.00 0.00 68.15 69.56 2kjb h THR 89 CO -0.53 0.32 0.37 0.80 -0.01 0.00 0.00 175.52 176.47 2kjb n MET 90 N -4.84 -0.06 0.06 0.00 0.00 -1.04 0.36 117.12 111.58 2kjb n MET 90 Ca -0.09 1.35 -0.06 0.00 0.00 0.00 0.00 57.70 58.91 2kjb n MET 90 Cb 0.29 -2.35 -0.04 0.00 0.00 0.00 0.00 33.22 31.13 2kjb n MET 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2kjb h LEU 91 N 0.00 -0.21 -1.19 -0.89 5.85 -1.42 -2.33 115.31 115.12 2kjb h LEU 91 Ca 0.75 -0.12 0.24 0.00 0.84 0.00 0.00 57.88 59.59 2kjb h LEU 91 Cb 1.87 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 42.85 2kjb h LEU 91 CO -0.78 0.31 0.63 0.50 -0.34 0.00 0.00 178.44 178.76 2kjb h LYS 92 N -1.03 0.51 -0.01 1.25 3.64 -0.89 0.24 116.57 120.28 2kjb h LYS 92 Ca -0.02 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.12 2kjb h LYS 92 Cb 0.31 -0.12 0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2kjb h LYS 92 CO 0.04 0.34 -0.80 0.37 -2.27 0.00 0.00 179.45 177.13 2kjb h GLN 93 N 0.53 0.56 -0.15 1.90 5.75 -0.19 -2.92 115.11 120.59 2kjb h GLN 93 Ca 0.60 -0.59 -0.14 0.00 -0.15 0.00 0.00 58.65 58.37 2kjb h GLN 93 Cb 1.28 0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.98 2kjb h GLN 93 CO -0.36 1.21 -0.52 0.00 -2.65 0.00 0.00 178.83 176.51 2kjb h ALA 94 N 0.37 0.84 0.00 3.38 0.00 -0.62 -2.92 119.26 120.31 2kjb h ALA 94 Ca -0.10 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2kjb h ALA 94 Cb 1.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2kjb h ALA 94 CO 0.16 0.68 -0.04 1.51 0.00 0.00 0.00 179.25 181.56 2kjb n ILE 95 N -3.96 0.01 0.11 0.00 3.06 0.72 -0.51 119.36 118.79 2kjb n ILE 95 Ca -0.02 -0.00 -0.06 0.00 -2.50 0.00 0.00 62.75 60.17 2kjb n ILE 95 Cb 0.57 -0.44 -0.03 0.00 0.54 0.00 0.00 39.64 40.28 2kjb n ILE 95 CO 0.00 0.00 0.00 0.45 -2.50 0.00 0.00 176.55 174.50 2kjb h HIS 96 N 0.00 -0.34 0.04 9.51 3.86 -1.31 -3.39 115.15 123.53 2kjb h HIS 96 Ca 0.00 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 2kjb h HIS 96 Cb 0.50 0.11 0.01 0.00 1.06 0.00 0.00 27.41 29.09 2kjb h HIS 96 CO 0.00 -0.21 -0.24 1.25 0.86 0.00 0.00 177.93 179.59 2kjb h HIS 97 N -1.09 0.17 0.00 2.45 -0.00 -1.64 -3.46 115.15 111.58 2kjb h HIS 97 Ca -0.04 -0.12 0.00 0.00 -0.00 0.00 0.00 60.37 60.21 2kjb h HIS 97 Cb 0.28 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.68 2kjb h HIS 97 CO 0.00 1.07 0.00 0.00 -0.00 0.00 0.00 177.93 179.00 2kjb n ALA 98 N -2.61 0.00 -2.73 5.26 0.00 0.33 -4.61 120.51 116.15 2kjb n ALA 98 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2kjb n ALA 98 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2kjb n ALA 98 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2kjb n ASN 99 N 0.55 1.36 -4.77 0.00 6.94 -1.26 -5.03 115.26 113.05 2kjb n ASN 99 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 54.58 54.17 2kjb n ASN 99 Cb 0.00 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 2kjb n ASN 99 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 2kjb s HIS 100 N 0.51 3.78 0.05 -2.53 3.76 -1.26 -5.05 115.29 114.56 2kjb s HIS 100 Ca 0.00 1.43 -0.29 0.00 -0.15 0.00 0.00 55.06 56.05 2kjb s HIS 100 Cb 0.00 -2.71 -0.05 0.00 1.11 0.00 0.00 32.58 30.93 2kjb s HIS 100 CO 0.00 0.40 0.92 -1.25 -0.85 0.00 0.00 174.74 173.97 2kjb s PRO 101 N -0.54 4.61 0.04 8.40 0.04 -1.26 -5.03 135.00 141.27 2kjb s PRO 101 Ca 0.35 1.35 -0.29 0.00 0.04 0.00 0.00 61.00 62.44 2kjb s PRO 101 Cb -0.21 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.88 2kjb s PRO 101 CO 0.22 0.12 0.95 0.15 0.04 0.00 0.00 177.00 178.48 2kjb s LYS 102 N 0.39 4.61 0.00 4.56 1.02 -1.26 -5.31 119.74 123.74 2kjb s LYS 102 Ca 0.47 1.39 0.00 0.00 0.02 0.00 0.00 55.97 57.84 2kjb s LYS 102 Cb -0.22 -3.42 0.00 0.00 -0.52 0.00 0.00 37.83 33.67 2kjb s LYS 102 CO 0.27 0.08 0.00 -1.91 -0.92 0.00 0.00 175.35 172.88