#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjs n PRO 2 N 0.00 1.49 0.00 0.03 -0.02 -1.26 -4.83 135.00 130.40 2kjs n PRO 2 Ca 0.00 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2kjs n PRO 2 Cb 0.00 -3.03 0.00 0.00 -0.02 0.00 0.00 33.50 30.45 2kjs n PRO 2 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2kjs n THR 3 N 7.67 0.00 -0.08 3.45 -2.24 -1.26 -4.62 114.28 117.21 2kjs n THR 3 Ca 0.35 0.34 -0.22 0.00 -2.27 0.00 0.00 64.05 62.25 2kjs n THR 3 Cb 0.40 -1.32 -0.12 0.00 -2.10 0.00 0.00 70.33 67.18 2kjs n THR 3 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kjs n LEU 4 N -2.29 2.39 0.32 3.22 4.77 -1.26 -4.13 117.00 120.02 2kjs n LEU 4 Ca 0.00 0.22 0.20 0.00 -0.03 0.00 0.00 56.01 56.40 2kjs n LEU 4 Cb 0.00 -0.99 1.10 0.00 -2.33 0.00 0.00 43.42 41.21 2kjs n LEU 4 CO 0.00 0.67 1.17 -0.78 -1.33 0.00 0.00 177.39 177.12 2kjs h ASP 5 N -0.41 0.00 -0.42 -1.43 1.82 -1.95 0.22 116.42 114.25 2kjs h ASP 5 Ca -0.48 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.06 2kjs h ASP 5 Cb 1.74 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.74 2kjs h ASP 5 CO -0.11 0.00 -0.12 0.00 -1.61 0.00 0.00 179.24 177.40 2kjs h ALA 6 N 1.92 0.58 0.00 -0.78 0.00 -1.82 -3.13 119.26 116.02 2kjs h ALA 6 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2kjs h ALA 6 Cb 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2kjs h ALA 6 CO -0.00 0.47 -0.85 1.28 0.00 0.00 0.00 179.25 180.16 2kjs n LEU 7 N -4.29 0.72 -0.21 0.00 4.32 -0.48 -4.41 117.00 112.65 2kjs n LEU 7 Ca -0.01 -0.21 -0.09 0.00 -0.02 0.00 0.00 56.01 55.68 2kjs n LEU 7 Cb 0.38 -0.11 -0.05 0.00 -1.62 0.00 0.00 43.42 42.03 2kjs n LEU 7 CO 0.44 0.16 0.56 0.74 -1.22 0.00 0.00 177.39 178.06 2kjs h THR 8 N 0.00 0.07 -0.97 -5.08 2.02 -0.57 0.71 112.91 109.08 2kjs h THR 8 Ca 0.00 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.28 2kjs h THR 8 Cb 0.56 0.07 -0.08 0.00 -1.74 0.00 0.00 68.15 66.96 2kjs h THR 8 CO 0.00 0.00 0.61 1.55 0.37 0.00 0.00 175.52 178.05 2kjs h PRO 9 N -0.23 0.97 -0.39 6.66 0.13 -1.77 -0.60 132.00 136.78 2kjs h PRO 9 Ca 0.17 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 65.20 2kjs h PRO 9 Cb 0.56 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 31.45 2kjs h PRO 9 CO -0.70 0.64 0.10 0.82 -0.23 0.00 0.00 178.00 178.64 2kjs h ILE 10 N 1.00 1.22 -0.64 -3.56 2.04 -1.26 -2.10 117.51 114.21 2kjs h ILE 10 Ca 0.46 -0.75 -0.06 0.00 1.00 0.00 0.00 64.86 65.51 2kjs h ILE 10 Cb 0.38 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2kjs h ILE 10 CO -0.24 0.26 0.16 -0.26 0.00 0.00 0.00 178.15 178.07 2kjs h PHE 11 N 0.48 1.07 -0.49 1.37 0.04 -0.27 -2.44 116.94 116.69 2kjs h PHE 11 Ca 0.12 -0.12 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2kjs h PHE 11 Cb 0.29 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 2kjs h PHE 11 CO 0.01 0.89 0.28 0.00 -0.60 0.00 0.00 178.31 178.89 2kjs h ARG 12 N 0.94 0.68 0.07 1.51 3.08 -0.97 0.57 114.38 120.27 2kjs h ARG 12 Ca 0.20 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 2kjs h ARG 12 Cb 0.35 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2kjs h ARG 12 CO 0.00 0.52 -0.04 1.96 -1.07 0.00 0.00 179.97 181.35 2kjs h GLN 13 N 0.66 -0.10 -0.36 0.04 4.20 -1.25 1.55 115.11 119.84 2kjs h GLN 13 Ca 0.17 0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.82 2kjs h GLN 13 Cb 0.03 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2kjs h GLN 13 CO -0.03 0.00 -0.04 0.28 -0.67 0.00 0.00 178.83 178.37 2kjs h VAL 14 N -0.17 1.27 -1.13 -0.54 2.07 -1.32 -3.22 116.25 113.21 2kjs h VAL 14 Ca -0.01 -1.07 -0.63 0.00 0.82 0.00 0.00 66.70 65.81 2kjs h VAL 14 Cb 0.14 1.23 -0.36 0.00 -1.52 0.00 0.00 31.29 30.78 2kjs h VAL 14 CO 0.02 0.35 0.03 0.49 0.02 0.00 0.00 177.57 178.49 2kjs n PHE 15 N -4.44 3.05 -0.44 1.57 3.72 0.20 -4.93 117.46 116.19 2kjs n PHE 15 Ca -0.02 -2.65 -0.30 0.00 -0.05 0.00 0.00 57.45 54.43 2kjs n PHE 15 Cb 0.31 -0.80 -0.07 0.00 -0.94 0.00 0.00 39.48 37.98 2kjs n PHE 15 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2kjs n ASP 16 N -0.72 1.11 -4.18 4.37 5.75 0.53 -4.73 116.55 118.68 2kjs n ASP 16 Ca 0.51 -2.37 -0.35 0.00 -0.01 0.00 0.00 54.79 52.57 2kjs n ASP 16 Cb 0.71 -0.61 -0.13 0.00 -1.03 0.00 0.00 41.12 40.06 2kjs n ASP 16 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2kjs s ASP 17 N 5.98 4.97 0.19 -1.12 -1.08 -1.26 -4.98 116.67 119.36 2kjs s ASP 17 Ca 0.46 -1.30 0.00 0.00 -0.52 0.00 0.00 52.55 51.19 2kjs s ASP 17 Cb 0.10 -1.74 0.00 0.00 -1.46 0.00 0.00 42.92 39.82 2kjs s ASP 17 CO 0.20 -0.29 0.00 -0.67 0.52 0.00 0.00 175.17 174.93 2kjs n ASP 18 N 4.64 0.00 -3.24 -0.34 -0.08 -1.26 -3.83 116.55 112.44 2kjs n ASP 18 Ca -0.12 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.14 2kjs n ASP 18 Cb 0.43 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.85 2kjs n ASP 18 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2kjs s SER 19 N -4.00 -0.66 -0.14 1.67 0.15 -1.26 -5.15 113.70 104.30 2kjs s SER 19 Ca 0.00 0.47 -0.05 0.00 0.70 0.00 0.00 55.95 57.07 2kjs s SER 19 Cb 0.00 1.68 -0.03 0.00 -1.71 0.00 0.00 66.02 65.96 2kjs s SER 19 CO 0.00 -0.29 0.01 -0.63 1.20 0.00 0.00 173.24 173.54 2kjs s ILE 20 N 2.72 4.37 -0.06 6.45 1.01 -1.25 -5.11 121.20 129.32 2kjs s ILE 20 Ca 0.16 -0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.64 2kjs s ILE 20 Cb -0.14 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.39 2kjs s ILE 20 CO -0.20 0.52 -0.14 0.54 0.00 0.00 0.00 174.94 175.65 2kjs s VAL 21 N -0.03 3.04 -0.13 2.92 0.11 -1.26 -4.97 120.40 120.09 2kjs s VAL 21 Ca 0.04 -0.72 -0.06 0.00 -2.93 0.00 0.00 61.98 58.31 2kjs s VAL 21 Cb -0.13 -2.20 -0.04 0.00 -1.53 0.00 0.00 36.38 32.48 2kjs s VAL 21 CO 0.02 0.58 0.10 -0.76 -3.33 0.00 0.00 175.10 171.71 2kjs s LEU 22 N -0.54 4.13 0.23 2.54 1.43 -1.26 -5.04 118.68 120.17 2kjs s LEU 22 Ca 0.07 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.51 2kjs s LEU 22 Cb -0.12 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 2kjs s LEU 22 CO 0.01 0.35 0.16 0.42 0.23 0.00 0.00 176.35 177.53 2kjs s THR 23 N -0.70 0.00 0.26 5.49 -4.23 -1.26 -5.02 115.64 110.18 2kjs s THR 23 Ca 0.13 -1.99 -0.03 0.00 -1.18 0.00 0.00 61.69 58.61 2kjs s THR 23 Cb -0.12 -2.50 0.14 0.00 1.34 0.00 0.00 72.50 71.36 2kjs s THR 23 CO 0.03 0.00 1.78 0.03 -0.54 0.00 0.00 174.62 175.92 2kjs h ARG 24 N 2.52 0.89 0.00 3.99 3.08 -1.99 -1.72 114.38 121.16 2kjs h ARG 24 Ca -0.34 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.51 2kjs h ARG 24 Cb 1.25 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2kjs h ARG 24 CO 0.50 0.82 0.00 0.39 -1.07 0.00 0.00 179.97 180.61 2kjs n GLU 25 N -4.25 0.25 -1.92 0.04 1.02 -1.26 -4.40 120.64 110.12 2kjs n GLU 25 Ca 0.04 0.01 -0.41 0.00 -0.02 0.00 0.00 57.16 56.77 2kjs n GLU 25 Cb 0.25 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.16 2kjs n GLU 25 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2kjs s THR 26 N -2.75 2.35 0.17 2.62 2.01 -0.65 -4.97 115.64 114.42 2kjs s THR 26 Ca 0.22 0.33 -0.15 0.00 0.31 0.00 0.00 61.69 62.40 2kjs s THR 26 Cb 0.19 -3.21 0.02 0.00 0.01 0.00 0.00 72.50 69.52 2kjs s THR 26 CO 0.48 0.07 0.43 -0.94 -0.69 0.00 0.00 174.62 173.97 2kjs s SER 27 N 0.06 -0.16 0.41 3.53 1.04 -1.26 -4.16 113.70 113.15 2kjs s SER 27 Ca 0.56 -0.56 0.09 0.00 0.48 0.00 0.00 55.95 56.52 2kjs s SER 27 Cb -0.44 0.51 0.89 0.00 0.10 0.00 0.00 66.02 67.08 2kjs s SER 27 CO 0.52 -0.97 2.00 0.00 0.98 0.00 0.00 173.24 175.78 2kjs h ALA 28 N 2.34 1.82 -0.81 5.32 0.00 -1.89 -1.08 119.26 124.95 2kjs h ALA 28 Ca -0.31 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2kjs h ALA 28 Cb 1.25 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 2kjs h ALA 28 CO 0.42 0.10 0.35 -0.97 0.00 0.00 0.00 179.25 179.16 2kjs h ASN 29 N 0.56 1.09 0.71 0.00 -0.73 -1.98 -1.08 115.58 114.15 2kjs h ASN 29 Ca 0.24 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.26 2kjs h ASN 29 Cb 0.24 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 38.55 2kjs h ASN 29 CO -0.07 0.94 0.00 0.47 -0.37 0.00 0.00 177.43 178.41 2kjs n ASP 30 N -4.29 0.38 -4.29 1.15 8.00 -0.44 -4.47 116.55 112.59 2kjs n ASP 30 Ca 0.08 0.58 -0.37 0.00 0.71 0.00 0.00 54.79 55.79 2kjs n ASP 30 Cb 0.17 -0.67 -0.13 0.00 -0.02 0.00 0.00 41.12 40.47 2kjs n ASP 30 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2kjs s ILE 31 N -3.16 3.73 0.12 0.53 1.01 -0.41 -4.97 121.20 118.05 2kjs s ILE 31 Ca 0.06 -0.94 -0.15 0.00 0.00 0.00 0.00 60.65 59.62 2kjs s ILE 31 Cb 0.10 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 2kjs s ILE 31 CO 0.37 -0.02 1.54 0.44 0.00 0.00 0.00 174.94 177.26 2kjs h ASP 32 N 8.19 0.69 -2.75 3.58 3.32 -1.78 -3.39 116.42 124.28 2kjs h ASP 32 Ca -0.28 -0.34 -0.58 0.00 0.02 0.00 0.00 57.03 55.86 2kjs h ASP 32 Cb 1.10 -0.19 -0.10 0.00 0.22 0.00 0.00 39.33 40.36 2kjs h ASP 32 CO 0.60 0.87 0.84 0.00 -1.72 0.00 0.00 179.24 179.82 2kjs s ALA 33 N -4.88 2.96 -0.47 3.45 0.00 -1.26 -4.89 121.76 116.67 2kjs s ALA 33 Ca -0.13 -1.34 0.06 0.00 0.00 0.00 0.00 51.96 50.55 2kjs s ALA 33 Cb 0.10 -4.03 0.18 0.00 0.00 0.00 0.00 23.12 19.37 2kjs s ALA 33 CO 0.80 -2.88 0.56 -0.46 0.00 0.00 0.00 175.76 173.78 2kjs s TRP 34 N 4.87 -0.54 0.39 0.00 -0.11 -1.26 -5.13 118.94 117.16 2kjs s TRP 34 Ca 0.33 -1.21 -0.25 0.00 1.22 0.00 0.00 56.10 56.19 2kjs s TRP 34 Cb -0.11 -0.18 -0.09 0.00 -1.50 0.00 0.00 33.47 31.59 2kjs s TRP 34 CO 0.17 -1.09 1.08 -0.51 -4.62 0.00 0.00 176.95 171.97 2kjs s ASP 35 N 0.63 6.74 0.17 5.86 1.01 -1.26 -4.95 116.67 124.87 2kjs s ASP 35 Ca 0.30 2.12 -0.13 0.00 0.71 0.00 0.00 52.55 55.55 2kjs s ASP 35 Cb 0.00 -2.59 0.07 0.00 1.01 0.00 0.00 42.92 41.41 2kjs s ASP 35 CO -0.10 -0.51 1.79 0.28 0.21 0.00 0.00 175.17 176.83 2kjs h SER 36 N 2.62 0.72 -0.67 0.27 0.02 -2.00 -2.13 113.55 112.38 2kjs h SER 36 Ca -0.48 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.33 2kjs h SER 36 Cb 1.22 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.55 2kjs h SER 36 CO 0.63 0.60 0.25 -0.07 -1.14 0.00 0.00 176.83 177.10 2kjs h LEU 37 N 0.77 0.93 -0.87 5.07 4.07 -2.00 -2.21 115.31 121.07 2kjs h LEU 37 Ca 0.20 -0.18 0.01 0.00 0.08 0.00 0.00 57.88 57.99 2kjs h LEU 37 Cb 0.04 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 41.50 2kjs h LEU 37 CO -0.03 0.86 0.58 0.28 -1.08 0.00 0.00 178.44 179.04 2kjs h SER 38 N 0.95 0.99 -0.50 -0.43 0.02 -1.88 -1.71 113.55 111.00 2kjs h SER 38 Ca 0.22 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 2kjs h SER 38 Cb 0.23 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 2kjs h SER 38 CO -0.02 0.71 0.14 -0.74 -1.14 0.00 0.00 176.83 175.79 2kjs h HIS 39 N 1.17 0.82 -0.99 3.45 -0.00 -1.09 -2.37 115.15 116.14 2kjs h HIS 39 Ca 0.32 -0.09 0.01 0.00 -0.00 0.00 0.00 60.37 60.62 2kjs h HIS 39 Cb -0.12 -0.23 -0.05 0.00 -0.00 0.00 0.00 27.41 27.01 2kjs h HIS 39 CO -0.01 0.72 0.65 1.98 -0.00 0.00 0.00 177.93 181.27 2kjs h MET 40 N 0.68 1.29 -0.45 5.26 -1.53 -0.92 -1.52 114.93 117.74 2kjs h MET 40 Ca 0.16 -0.08 -0.04 0.00 -3.44 0.00 0.00 59.70 56.30 2kjs h MET 40 Cb 0.30 -0.29 -0.02 0.00 -0.55 0.00 0.00 31.60 31.04 2kjs h MET 40 CO -0.00 0.86 0.10 -0.97 0.14 0.00 0.00 176.91 177.03 2kjs h ASN 41 N 1.33 0.62 -0.63 1.39 -1.24 -1.06 -2.47 115.58 113.53 2kjs h ASN 41 Ca 0.36 -0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.27 2kjs h ASN 41 Cb -0.15 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 38.71 2kjs h ASN 41 CO -0.08 0.63 0.40 0.25 -1.29 0.00 0.00 177.43 177.34 2kjs h LEU 42 N 0.65 0.74 -0.51 0.34 6.46 -0.76 -0.70 115.31 121.53 2kjs h LEU 42 Ca 0.15 -0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.84 2kjs h LEU 42 Cb 0.26 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 2kjs h LEU 42 CO -0.00 0.55 0.20 0.40 -0.62 0.00 0.00 178.44 178.97 2kjs h ILE 43 N 0.85 1.22 -0.53 4.05 5.03 -1.18 -2.15 117.51 124.79 2kjs h ILE 43 Ca 0.23 -0.69 0.00 0.00 -0.12 0.00 0.00 64.86 64.28 2kjs h ILE 43 Cb -0.07 0.71 -0.03 0.00 -3.03 0.00 0.00 36.82 34.41 2kjs h ILE 43 CO -0.05 0.26 0.34 0.58 -0.68 0.00 0.00 178.15 178.61 2kjs h VAL 44 N 0.69 1.15 -0.66 1.67 2.07 -1.01 -1.07 116.25 119.08 2kjs h VAL 44 Ca 0.17 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.43 2kjs h VAL 44 Cb 0.21 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 2kjs h VAL 44 CO -0.01 0.14 0.41 0.28 0.02 0.00 0.00 177.57 178.41 2kjs h SER 45 N 0.72 0.66 -0.70 0.57 0.02 -0.88 -2.23 113.55 111.71 2kjs h SER 45 Ca 0.19 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 2kjs h SER 45 Cb -0.06 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 2kjs h SER 45 CO -0.04 0.46 0.20 -0.07 -1.14 0.00 0.00 176.83 176.24 2kjs h LEU 46 N 0.80 1.04 0.25 5.07 3.38 -0.96 0.90 115.31 125.77 2kjs h LEU 46 Ca 0.27 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2kjs h LEU 46 Cb 0.03 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2kjs h LEU 46 CO -0.11 0.98 -0.33 -0.08 0.09 0.00 0.00 178.44 178.99 2kjs h GLU 47 N 1.04 -0.62 -0.43 1.13 4.81 -0.62 0.43 114.58 120.33 2kjs h GLU 47 Ca 0.22 0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.41 2kjs h GLU 47 Cb 0.33 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2kjs h GLU 47 CO -0.00 -0.41 -0.08 0.28 -0.73 0.00 0.00 179.01 178.06 2kjs h VAL 48 N -0.64 1.27 0.06 0.32 2.07 -1.40 1.72 116.25 119.65 2kjs h VAL 48 Ca 0.00 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 2kjs h VAL 48 Cb 0.61 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2kjs h VAL 48 CO -0.12 0.40 -0.03 -0.74 0.02 0.00 0.00 177.57 177.10 2kjs h HIS 49 N 0.64 -0.07 0.00 1.57 -0.00 -0.58 -2.86 115.15 113.84 2kjs h HIS 49 Ca 0.11 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.48 2kjs h HIS 49 Cb 0.61 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.04 2kjs h HIS 49 CO 0.05 -0.03 -0.51 1.88 -0.00 0.00 0.00 177.93 179.32 2kjs h TYR 50 N -0.09 0.00 -5.82 5.26 -1.99 -0.14 -3.48 116.97 110.71 2kjs h TYR 50 Ca -0.01 0.00 -0.37 0.00 2.00 0.00 0.00 58.73 60.35 2kjs h TYR 50 Cb 0.07 0.00 0.13 0.00 2.00 0.00 0.00 36.73 38.93 2kjs h TYR 50 CO -0.07 0.00 -0.76 1.63 -0.00 0.00 0.00 178.16 178.96 2kjs n LYS 51 N -2.71 -6.57 -4.26 4.88 5.02 0.58 -5.01 118.16 110.08 2kjs n LYS 51 Ca 0.02 0.79 -0.14 0.00 -2.02 0.00 0.00 58.31 56.96 2kjs n LYS 51 Cb 0.52 -5.73 -0.10 0.00 -0.02 0.00 0.00 35.03 29.70 2kjs n LYS 51 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2kjs s ILE 52 N -3.40 0.88 0.01 -0.18 -4.36 -0.99 -5.02 121.20 108.14 2kjs s ILE 52 Ca 0.18 -2.01 0.02 0.00 -0.26 0.00 0.00 60.65 58.58 2kjs s ILE 52 Cb -0.08 -2.10 -0.04 0.00 1.25 0.00 0.00 42.46 41.49 2kjs s ILE 52 CO 0.75 -0.51 -0.00 -0.54 0.24 0.00 0.00 174.94 174.88 2kjs s LYS 53 N -3.86 2.75 0.00 0.37 -0.14 -1.26 -4.69 119.74 112.91 2kjs s LYS 53 Ca 0.23 -0.64 0.03 0.00 -1.36 0.00 0.00 55.97 54.23 2kjs s LYS 53 Cb 0.05 -2.65 -0.03 0.00 -1.68 0.00 0.00 37.83 33.52 2kjs s LYS 53 CO 0.04 0.62 -0.05 -0.06 -0.76 0.00 0.00 175.35 175.14 2kjs s PHE 54 N -1.10 2.93 0.18 3.18 0.08 -1.26 -5.11 117.98 116.88 2kjs s PHE 54 Ca 0.20 -0.01 -0.17 0.00 0.12 0.00 0.00 56.93 57.07 2kjs s PHE 54 Cb -0.11 -1.62 -0.08 0.00 -0.57 0.00 0.00 43.02 40.64 2kjs s PHE 54 CO 0.11 0.40 0.63 0.00 -0.10 0.00 0.00 175.22 176.26 2kjs s ALA 55 N -1.02 3.50 0.19 5.36 0.00 -1.26 -4.97 121.76 123.56 2kjs s ALA 55 Ca 0.18 0.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.03 2kjs s ALA 55 Cb -0.11 -2.66 0.11 0.00 0.00 0.00 0.00 23.12 20.46 2kjs s ALA 55 CO 0.08 0.39 1.80 1.25 0.00 0.00 0.00 175.76 179.29 2kjs h LEU 56 N 3.48 0.83 -1.03 0.00 6.46 -1.99 0.29 115.31 123.35 2kjs h LEU 56 Ca -0.48 -0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.16 2kjs h LEU 56 Cb 1.19 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.87 2kjs h LEU 56 CO 0.65 0.69 0.43 1.23 -0.62 0.00 0.00 178.44 180.83 2kjs h GLY 57 N 0.91 1.19 2.00 3.75 0.00 -2.00 -1.95 103.07 106.97 2kjs h GLY 57 Ca 0.23 -0.54 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 2kjs h GLY 57 CO -0.04 0.51 -0.52 0.83 0.00 0.00 0.00 176.54 177.32 2kjs h GLU 58 N 1.12 0.00 -0.37 4.80 4.39 -1.85 -3.11 114.58 119.55 2kjs h GLU 58 Ca 0.28 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.96 2kjs h GLU 58 Cb 0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2kjs h GLU 58 CO -0.04 0.52 0.16 1.25 -1.16 0.00 0.00 179.01 179.74 2kjs h LEU 59 N 0.00 0.51 0.00 1.33 7.12 0.35 -2.01 115.31 122.61 2kjs h LEU 59 Ca -0.01 -0.16 0.00 0.00 0.13 0.00 0.00 57.88 57.85 2kjs h LEU 59 Cb 1.33 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 41.33 2kjs h LEU 59 CO 0.07 0.52 0.00 0.00 -0.13 0.00 0.00 178.44 178.90 2kjs n GLN 60 N -4.68 0.11 0.00 1.25 10.64 -1.04 -2.86 117.38 120.80 2kjs n GLN 60 Ca -0.01 0.02 0.14 0.00 -1.83 0.00 0.00 57.00 55.33 2kjs n GLN 60 Cb 0.13 -1.50 0.69 0.00 -0.86 0.00 0.00 30.24 28.70 2kjs n GLN 60 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2kjs n LYS 61 N -1.44 0.30 -3.14 2.61 4.81 -0.76 -4.76 118.16 115.78 2kjs n LYS 61 Ca 0.08 -0.02 -0.40 0.00 -0.87 0.00 0.00 58.31 57.11 2kjs n LYS 61 Cb 0.30 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 33.79 2kjs n LYS 61 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2kjs s LEU 62 N -2.71 4.21 0.00 3.14 1.43 -1.13 -4.85 118.68 118.77 2kjs s LEU 62 Ca 0.24 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.24 2kjs s LEU 62 Cb 0.20 -2.89 0.00 0.00 0.03 0.00 0.00 46.19 43.53 2kjs s LEU 62 CO 0.49 -0.18 0.00 0.29 0.23 0.00 0.00 176.35 177.18 2kjs n LYS 63 N 4.49 0.03 -4.09 1.70 5.02 -1.26 -5.08 118.16 118.97 2kjs n LYS 63 Ca -0.03 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.95 2kjs n LYS 63 Cb 0.50 -0.52 -0.07 0.00 -0.02 0.00 0.00 35.03 34.93 2kjs n LYS 63 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2kjs s ASN 64 N -2.64 5.50 0.16 4.39 0.01 -1.26 -4.88 114.94 116.21 2kjs s ASN 64 Ca 0.00 0.02 -0.14 0.00 -0.71 0.00 0.00 52.86 52.04 2kjs s ASN 64 Cb 0.00 -1.49 0.04 0.00 0.41 0.00 0.00 41.25 40.21 2kjs s ASN 64 CO 0.00 0.21 1.74 0.58 -1.51 0.00 0.00 177.10 178.12 2kjs h VAL 65 N 2.86 1.19 -0.80 1.60 2.07 -1.86 -2.33 116.25 118.99 2kjs h VAL 65 Ca -0.48 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 66.50 2kjs h VAL 65 Cb 1.17 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 2kjs h VAL 65 CO 0.64 0.22 0.53 1.23 0.02 0.00 0.00 177.57 180.20 2kjs h GLY 66 N 0.68 1.12 1.29 2.17 0.00 -1.85 -1.51 103.07 104.97 2kjs h GLY 66 Ca 0.18 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 2kjs h GLY 66 CO -0.02 0.40 0.21 -1.80 0.00 0.00 0.00 176.54 175.33 2kjs h ASP 67 N 1.07 0.83 -0.69 0.19 3.58 -1.84 -2.42 116.42 117.15 2kjs h ASP 67 Ca 0.29 -0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.59 2kjs h ASP 67 Cb -0.11 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.69 2kjs h ASP 67 CO -0.07 0.77 0.33 0.25 -2.88 0.00 0.00 179.24 177.64 2kjs h LEU 68 N 0.88 0.91 -1.10 2.28 6.46 -0.77 -2.30 115.31 121.67 2kjs h LEU 68 Ca 0.20 -0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 2kjs h LEU 68 Cb 0.22 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.89 2kjs h LEU 68 CO -0.01 0.79 0.33 0.00 -0.62 0.00 0.00 178.44 178.93 2kjs h ALA 69 N 1.16 1.31 -0.73 1.25 0.00 -1.03 -2.10 119.26 119.11 2kjs h ALA 69 Ca 0.24 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2kjs h ALA 69 Cb 0.13 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2kjs h ALA 69 CO -0.03 0.54 0.28 -0.44 0.00 0.00 0.00 179.25 179.61 2kjs h ASP 70 N 0.95 0.99 -0.72 0.00 3.32 -0.98 -2.40 116.42 117.59 2kjs h ASP 70 Ca 0.23 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 2kjs h ASP 70 Cb 0.09 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 2kjs h ASP 70 CO -0.03 0.89 0.35 0.25 -1.72 0.00 0.00 179.24 178.97 2kjs h LEU 71 N 1.06 0.95 -0.48 1.55 5.85 -0.87 -1.60 115.31 121.77 2kjs h LEU 71 Ca 0.24 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2kjs h LEU 71 Cb 0.21 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2kjs h LEU 71 CO -0.02 0.82 0.31 0.58 -0.34 0.00 0.00 178.44 179.79 2kjs h VAL 72 N 1.02 1.13 -0.75 1.05 2.07 -1.02 -0.44 116.25 119.32 2kjs h VAL 72 Ca 0.25 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 2kjs h VAL 72 Cb 0.12 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2kjs h VAL 72 CO -0.03 0.13 0.39 0.44 0.02 0.00 0.00 177.57 178.53 2kjs h ASP 73 N 0.65 0.95 -0.66 0.57 3.32 -1.13 -1.23 116.42 118.88 2kjs h ASP 73 Ca 0.18 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 2kjs h ASP 73 Cb -0.05 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 2kjs h ASP 73 CO -0.04 0.79 0.27 0.50 -1.72 0.00 0.00 179.24 179.04 2kjs h LYS 74 N 1.04 0.99 -0.66 3.56 3.64 -0.82 -0.79 116.57 123.53 2kjs h LYS 74 Ca 0.26 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2kjs h LYS 74 Cb 0.06 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 2kjs h LYS 74 CO -0.04 0.82 0.33 0.87 -2.27 0.00 0.00 179.45 179.16 2kjs h LYS 75 N 0.94 0.94 -0.58 1.90 1.79 -0.66 -0.83 116.57 120.05 2kjs h LYS 75 Ca 0.22 -0.13 -0.03 0.00 -2.18 0.00 0.00 60.65 58.53 2kjs h LYS 75 Cb 0.20 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.65 2kjs h LYS 75 CO -0.02 0.73 0.24 -0.07 -1.08 0.00 0.00 179.45 179.26 2kjs h LEU 76 N 0.90 0.80 -1.20 2.94 3.38 -0.88 -2.25 115.31 119.01 2kjs h LEU 76 Ca 0.23 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2kjs h LEU 76 Cb 0.10 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2kjs h LEU 76 CO -0.03 0.74 0.28 0.00 0.09 0.00 0.00 178.44 179.52 2kjs h ALA 77 N 1.09 1.38 -0.66 1.53 0.00 -0.74 -1.91 119.26 119.94 2kjs h ALA 77 Ca 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2kjs h ALA 77 Cb 0.19 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2kjs h ALA 77 CO -0.02 0.49 0.26 -0.09 0.00 0.00 0.00 179.25 179.89 2kjs h ARG 78 N 0.84 0.97 -0.37 0.00 2.43 -0.63 -2.13 114.38 115.50 2kjs h ARG 78 Ca 0.21 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 2kjs h ARG 78 Cb 0.10 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 2kjs h ARG 78 CO -0.03 0.79 0.21 -0.22 -1.51 0.00 0.00 179.97 179.21 2kjs h LYS 79 N 0.96 0.41 -0.71 0.20 3.64 -0.79 0.54 116.57 120.81 2kjs h LYS 79 Ca 0.22 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 2kjs h LYS 79 Cb 0.18 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 2kjs h LYS 79 CO -0.02 0.27 0.28 -0.07 -2.27 0.00 0.00 179.45 177.64 2kjs h LEU 80 N 0.42 0.98 0.00 5.20 4.07 -1.33 -1.37 115.31 123.28 2kjs h LEU 80 Ca 0.15 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2kjs h LEU 80 Cb 0.02 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.51 2kjs h LEU 80 CO -0.08 0.88 0.00 -0.62 -1.08 0.00 0.00 178.44 177.54 2kjs n GLU 81 N -4.36 0.46 0.00 1.13 -0.58 -0.83 -4.91 120.64 111.55 2kjs n GLU 81 Ca 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 2kjs n GLU 81 Cb 0.18 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 2kjs n GLU 81 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2kjs n HIS 82 N -1.27 0.00 -3.15 -0.32 8.25 0.18 -3.97 115.22 114.95 2kjs n HIS 82 Ca 0.15 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.65 2kjs n HIS 82 Cb 0.23 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.34 2kjs n HIS 82 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kjs s HIS 83 N 0.00 -1.18 0.15 4.41 2.46 -1.26 -4.77 115.29 115.10 2kjs s HIS 83 Ca 0.00 0.90 -0.15 0.00 0.47 0.00 0.00 55.06 56.28 2kjs s HIS 83 Cb 0.00 0.28 0.03 0.00 -0.13 0.00 0.00 32.58 32.76 2kjs s HIS 83 CO 0.00 -0.67 0.42 -1.01 -2.47 0.00 0.00 174.74 171.00 2kjs s HIS 84 N 2.89 -0.09 -0.09 3.88 3.76 -1.25 -5.16 115.29 119.24 2kjs s HIS 84 Ca 0.15 -0.25 -0.05 0.00 -0.15 0.00 0.00 55.06 54.76 2kjs s HIS 84 Cb -0.09 0.25 -0.04 0.00 1.11 0.00 0.00 32.58 33.81 2kjs s HIS 84 CO -0.21 -0.77 0.13 -1.01 -0.85 0.00 0.00 174.74 172.03 2kjs s HIS 85 N -3.85 3.51 0.19 1.40 3.76 -1.26 -5.01 115.29 114.03 2kjs s HIS 85 Ca 0.07 0.43 -0.09 0.00 -0.15 0.00 0.00 55.06 55.32 2kjs s HIS 85 Cb 0.01 -1.88 0.09 0.00 1.11 0.00 0.00 32.58 31.91 2kjs s HIS 85 CO -0.08 0.67 1.68 1.12 -0.85 0.00 0.00 174.74 177.29 2kjs h HIS 86 N 4.71 1.17 0.00 1.40 2.07 -2.04 -3.57 115.15 118.89 2kjs h HIS 86 Ca -0.53 -0.17 0.00 0.00 -2.85 0.00 0.00 60.37 56.83 2kjs h HIS 86 Cb 1.21 -0.32 0.00 0.00 2.57 0.00 0.00 27.41 30.88 2kjs h HIS 86 CO 0.72 0.98 0.00 1.58 -3.07 0.00 0.00 177.93 178.14