#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jna s LYS 2 N 0.00 3.93 -1.26 0.03 2.47 -1.26 -4.97 119.74 118.68 2jna s LYS 2 Ca 0.00 0.46 -0.16 0.00 -1.56 0.00 0.00 55.97 54.71 2jna s LYS 2 Cb 0.00 -2.74 -0.03 0.00 -1.46 0.00 0.00 37.83 33.60 2jna s LYS 2 CO 0.00 0.36 2.18 0.36 0.16 0.00 0.00 175.35 178.41 2jna n LYS 3 N 0.25 2.49 -0.11 4.03 -0.00 -1.26 -4.41 118.16 119.15 2jna n LYS 3 Ca -0.01 -2.33 -0.14 0.00 -0.00 0.00 0.00 58.31 55.82 2jna n LYS 3 Cb 0.52 -3.13 -0.13 0.00 -0.00 0.00 0.00 35.03 32.28 2jna n LYS 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2jna n ARG 4 N 6.16 0.70 -2.80 -1.58 1.74 -1.26 -4.95 116.66 114.67 2jna n ARG 4 Ca 0.53 0.08 -0.42 0.00 -0.77 0.00 0.00 57.85 57.26 2jna n ARG 4 Cb 0.38 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.28 2jna n ARG 4 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2jna s ILE 5 N -2.49 4.68 0.10 0.55 -5.25 -1.26 -5.02 121.20 112.49 2jna s ILE 5 Ca -0.23 1.49 0.03 0.00 -0.99 0.00 0.00 60.65 60.95 2jna s ILE 5 Cb 0.07 -4.26 -0.04 0.00 2.95 0.00 0.00 42.46 41.18 2jna s ILE 5 CO 0.68 -0.32 -0.09 0.27 -1.79 0.00 0.00 174.94 173.69 2jna s ILE 6 N 3.24 0.84 0.17 8.37 -5.25 -1.26 -5.17 121.20 122.14 2jna s ILE 6 Ca 0.39 -1.70 0.10 0.00 -0.99 0.00 0.00 60.65 58.45 2jna s ILE 6 Cb -0.14 -1.41 -0.04 0.00 2.95 0.00 0.00 42.46 43.82 2jna s ILE 6 CO 0.13 -0.65 -0.23 0.00 -1.79 0.00 0.00 174.94 172.40 2jna s ALA 7 N -2.74 2.33 -0.65 2.27 0.00 -1.26 -5.09 121.76 116.63 2jna s ALA 7 Ca 0.06 -1.55 -0.24 0.00 0.00 0.00 0.00 51.96 50.24 2jna s ALA 7 Cb -0.01 -0.30 0.05 0.00 0.00 0.00 0.00 23.12 22.87 2jna s ALA 7 CO -0.01 0.40 1.02 0.00 0.00 0.00 0.00 175.76 177.17 2jna s ALA 8 N -1.62 3.06 0.03 0.00 0.00 -1.26 -5.02 121.76 116.95 2jna s ALA 8 Ca 0.17 -1.59 -0.19 0.00 0.00 0.00 0.00 51.96 50.36 2jna s ALA 8 Cb -0.08 -3.91 -0.06 0.00 0.00 0.00 0.00 23.12 19.08 2jna s ALA 8 CO 0.08 -2.77 0.54 0.00 0.00 0.00 0.00 175.76 173.61 2jna s ALA 9 N 4.36 3.57 0.16 0.00 0.00 -1.26 -5.07 121.76 123.52 2jna s ALA 9 Ca 0.27 -0.02 -0.11 0.00 0.00 0.00 0.00 51.96 52.10 2jna s ALA 9 Cb -0.14 -2.63 -0.07 0.00 0.00 0.00 0.00 23.12 20.29 2jna s ALA 9 CO 0.14 0.32 0.50 -0.51 0.00 0.00 0.00 175.76 176.20 2jna s LEU 10 N -0.71 4.27 0.54 0.00 1.02 -1.26 -5.08 118.68 117.46 2jna s LEU 10 Ca 0.28 0.92 -0.09 0.00 0.02 0.00 0.00 54.13 55.26 2jna s LEU 10 Cb -0.18 -3.36 -0.04 0.00 0.02 0.00 0.00 46.19 42.62 2jna s LEU 10 CO 0.17 0.05 0.91 -0.76 0.02 0.00 0.00 176.35 176.74 2jna s LEU 11 N -2.32 3.45 0.05 1.79 2.01 -1.26 -5.09 118.68 117.31 2jna s LEU 11 Ca 0.40 1.20 -0.25 0.00 0.01 0.00 0.00 54.13 55.50 2jna s LEU 11 Cb -0.13 -4.20 0.06 0.00 0.01 0.00 0.00 46.19 41.93 2jna s LEU 11 CO 0.20 -0.71 0.58 0.00 1.01 0.00 0.00 176.35 177.44 2jna s ALA 12 N -2.92 -1.51 0.00 4.21 0.00 -1.26 -5.13 121.76 115.15 2jna s ALA 12 Ca 0.52 0.77 0.00 0.00 0.00 0.00 0.00 51.96 53.25 2jna s ALA 12 Cb -0.11 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.41 2jna s ALA 12 CO 0.48 -0.53 0.00 0.25 0.00 0.00 0.00 175.76 175.96 2jna n THR 13 N 0.37 0.00 -2.12 0.00 -2.24 -1.26 -5.08 114.28 103.94 2jna n THR 13 Ca -0.18 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.59 2jna n THR 13 Cb 0.60 -0.17 -0.01 0.00 -2.10 0.00 0.00 70.33 68.66 2jna n THR 13 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2jna n VAL 14 N -0.45-11.10 -3.96 2.28 0.31 -1.26 -5.00 118.33 99.15 2jna n VAL 14 Ca 0.00 2.48 -0.32 0.00 -0.01 0.00 0.00 64.34 66.49 2jna n VAL 14 Cb 0.00 -5.56 -0.14 0.00 -0.91 0.00 0.00 33.84 27.23 2jna n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jna s ALA 15 N -0.49 3.05 0.54 3.52 0.00 -1.26 -5.09 121.76 122.03 2jna s ALA 15 Ca -0.04 -2.74 0.04 0.00 0.00 0.00 0.00 51.96 49.21 2jna s ALA 15 Cb 0.00 -2.09 0.04 0.00 0.00 0.00 0.00 23.12 21.06 2jna s ALA 15 CO 0.11 -1.80 0.30 0.45 0.00 0.00 0.00 175.76 174.82 2jna n SER 16 N 3.99 2.94 -4.69 0.00 2.88 -1.26 -5.07 113.62 112.42 2jna n SER 16 Ca 0.04 -2.99 -0.42 0.00 -1.33 0.00 0.00 58.87 54.17 2jna n SER 16 Cb 0.39 0.07 -0.03 0.00 -0.75 0.00 0.00 64.21 63.89 2jna n SER 16 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2jna s PHE 17 N -2.76 2.16 -0.40 0.66 0.08 -1.26 -4.92 117.98 111.54 2jna s PHE 17 Ca 0.23 0.06 -0.29 0.00 0.12 0.00 0.00 56.93 57.05 2jna s PHE 17 Cb -0.02 -4.11 0.01 0.00 -0.57 0.00 0.00 43.02 38.34 2jna s PHE 17 CO 0.14 -4.56 1.39 -1.54 -0.10 0.00 0.00 175.22 170.55 2jna s SER 18 N 2.78 6.38 -0.43 1.36 1.04 -1.26 -4.90 113.70 118.66 2jna s SER 18 Ca 0.79 0.87 0.07 0.00 0.48 0.00 0.00 55.95 58.16 2jna s SER 18 Cb -0.43 -2.54 0.18 0.00 0.10 0.00 0.00 66.02 63.33 2jna s SER 18 CO 0.35 -1.39 0.63 0.28 0.98 0.00 0.00 173.24 174.10 2jna s THR 19 N 5.28 -0.94 0.38 2.02 -1.32 -1.26 -5.15 115.64 114.66 2jna s THR 19 Ca 0.60 -0.35 -0.27 0.00 -1.21 0.00 0.00 61.69 60.46 2jna s THR 19 Cb -0.14 -0.06 -0.11 0.00 -1.51 0.00 0.00 72.50 70.68 2jna s THR 19 CO 0.31 -0.05 1.40 0.00 -2.21 0.00 0.00 174.62 174.07 2jna n LEU 20 N 4.02 4.37 -2.88 9.08 -0.00 -1.26 -4.98 117.00 125.36 2jna n LEU 20 Ca 0.13 1.20 -0.09 0.00 -0.00 0.00 0.00 56.01 57.25 2jna n LEU 20 Cb 0.56 -1.56 -0.01 0.00 -0.00 0.00 0.00 43.42 42.41 2jna n LEU 20 CO 0.01 -0.17 0.04 0.00 -0.00 0.00 0.00 177.39 177.27 2jna n ALA 21 N 0.25 -0.95 -2.09 1.47 0.00 -1.26 -5.11 120.51 112.82 2jna n ALA 21 Ca 0.03 -1.46 0.00 0.00 0.00 0.00 0.00 53.44 52.01 2jna n ALA 21 Cb 0.38 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2jna n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jna n ALA 22 N 2.77 0.00 -1.19 0.00 0.00 -1.26 -5.14 120.51 115.68 2jna n ALA 22 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2jna n ALA 22 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2jna n ALA 22 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jna n GLU 23 N 0.00 0.00 -3.50 0.00 2.13 -1.26 -5.14 120.64 112.87 2jna n GLU 23 Ca 0.00 0.48 -0.14 0.00 0.66 0.00 0.00 57.16 58.16 2jna n GLU 23 Cb 0.00 -0.72 -0.04 0.00 0.27 0.00 0.00 31.44 30.95 2jna n GLU 23 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 2jna s GLN 24 N -1.45 1.02 -0.09 5.31 -0.44 -1.26 -4.85 119.66 117.90 2jna s GLN 24 Ca 0.00 -0.04 -0.02 0.00 -2.50 0.00 0.00 55.36 52.80 2jna s GLN 24 Cb 0.00 0.48 -0.03 0.00 -1.64 0.00 0.00 33.01 31.82 2jna s GLN 24 CO 0.00 -0.38 0.00 0.14 0.50 0.00 0.00 175.29 175.56 2jna s VAL 25 N -2.15 4.33 0.00 1.34 -7.23 -1.26 -5.04 120.40 110.39 2jna s VAL 25 Ca -0.04 -0.24 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 2jna s VAL 25 Cb -0.00 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 34.11 2jna s VAL 25 CO -0.00 0.60 0.00 -0.24 -0.31 0.00 0.00 175.10 175.15 2jna n SER 26 N 2.24 0.00 0.00 4.85 2.88 -1.26 -4.50 113.62 117.83 2jna n SER 26 Ca -0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 2jna n SER 26 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 2jna n SER 26 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2jna n LYS 27 N -0.47 0.00 -0.36 -1.46 4.81 -1.26 -4.86 118.16 114.56 2jna n LYS 27 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2jna n LYS 27 Cb 0.00 -0.00 0.14 0.00 0.02 0.00 0.00 35.03 35.18 2jna n LYS 27 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2jna h GLN 28 N 0.00 1.18 -0.55 1.64 7.50 -1.98 0.12 115.11 123.01 2jna h GLN 28 Ca 0.00 -0.07 -0.07 0.00 0.50 0.00 0.00 58.65 59.01 2jna h GLN 28 Cb 0.00 -0.27 -0.02 0.00 0.05 0.00 0.00 27.48 27.24 2jna h GLN 28 CO 0.00 0.78 0.06 0.93 -1.50 0.00 0.00 178.83 179.10 2jna h GLU 29 N 1.22 0.90 -0.55 1.46 3.07 -1.98 -0.26 114.58 118.44 2jna h GLU 29 Ca 0.39 -0.23 -0.11 0.00 -0.50 0.00 0.00 59.36 58.92 2jna h GLU 29 Cb 0.01 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.79 2jna h GLU 29 CO -0.13 0.85 -0.07 0.82 -1.40 0.00 0.00 179.01 179.09 2jna h ILE 30 N 0.85 1.27 -0.23 3.13 2.04 -1.46 0.35 117.51 123.46 2jna h ILE 30 Ca 0.17 -1.22 -0.12 0.00 1.00 0.00 0.00 64.86 64.70 2jna h ILE 30 Cb 0.41 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2jna h ILE 30 CO 0.01 0.43 -0.36 0.28 0.00 0.00 0.00 178.15 178.51 2jna h SER 31 N 0.91 0.52 0.09 1.72 0.02 -0.45 0.51 113.55 116.87 2jna h SER 31 Ca 0.15 -0.21 -0.24 0.00 -0.84 0.00 0.00 61.79 60.64 2jna h SER 31 Cb 0.62 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 2jna h SER 31 CO 0.04 0.84 -1.25 -0.74 -1.14 0.00 0.00 176.83 174.58 2jna h HIS 32 N 0.42 0.34 0.00 3.45 -0.00 -0.79 -3.38 115.15 115.20 2jna h HIS 32 Ca 0.04 -0.25 0.00 0.00 -0.00 0.00 0.00 60.37 60.17 2jna h HIS 32 Cb 0.83 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.22 2jna h HIS 32 CO 0.03 1.49 -1.19 1.19 -0.00 0.00 0.00 177.93 179.45 2jna n PHE 33 N -4.06 0.71 -2.41 5.26 3.72 0.12 -5.03 117.46 115.77 2jna n PHE 33 Ca -0.24 0.21 -0.03 0.00 -0.05 0.00 0.00 57.45 57.34 2jna n PHE 33 Cb 0.83 -0.82 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 2jna n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2jna n LYS 34 N -2.52 -2.12 -2.72 -1.08 4.01 0.17 -5.02 118.16 108.89 2jna n LYS 34 Ca -0.01 1.91 -0.22 0.00 -0.51 0.00 0.00 58.31 59.49 2jna n LYS 34 Cb 0.54 -4.30 0.08 0.00 -0.51 0.00 0.00 35.03 30.84 2jna n LYS 34 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2jna s LEU 35 N -1.63 3.11 -0.22 -0.35 1.43 -1.21 -4.77 118.68 115.04 2jna s LEU 35 Ca 0.09 -0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 52.73 2jna s LEU 35 Cb -0.02 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 2jna s LEU 35 CO 0.55 -1.53 0.05 -0.69 0.23 0.00 0.00 176.35 174.97 2jna s VAL 36 N -2.91 4.37 -0.42 -1.59 1.01 -1.12 -4.99 120.40 114.75 2jna s VAL 36 Ca 0.63 -0.16 -0.28 0.00 0.00 0.00 0.00 61.98 62.16 2jna s VAL 36 Cb -0.07 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.33 2jna s VAL 36 CO 0.41 0.39 1.06 -0.75 0.00 0.00 0.00 175.10 176.21 2jna s LYS 37 N 1.16 3.80 -0.24 2.72 2.20 -1.26 -1.03 119.74 127.10 2jna s LYS 37 Ca 0.04 0.64 0.14 0.00 -0.36 0.00 0.00 55.97 56.42 2jna s LYS 37 Cb -0.14 -3.85 0.62 0.00 -1.51 0.00 0.00 37.83 32.94 2jna s LYS 37 CO 0.03 -1.17 1.56 1.33 -0.36 0.00 0.00 175.35 176.74 2jna n VAL 38 N 6.40 2.55 0.00 4.02 0.24 0.16 -4.99 118.33 126.71 2jna n VAL 38 Ca 0.10 -1.90 0.00 0.00 -2.04 0.00 0.00 64.34 60.51 2jna n VAL 38 Cb 0.48 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 2jna n VAL 38 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jna n GLY 39 N -0.38 0.41 2.82 7.63 0.00 -1.23 -4.85 105.19 109.59 2jna n GLY 39 Ca 0.29 -2.28 -0.14 0.00 0.00 0.00 0.00 46.02 43.89 2jna n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jna s THR 40 N -0.11 -0.03 0.10 2.61 2.01 -1.26 -0.27 115.64 118.68 2jna s THR 40 Ca 0.00 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.16 2jna s THR 40 Cb 0.00 -0.05 -0.04 0.00 0.01 0.00 0.00 72.50 72.42 2jna s THR 40 CO 0.00 0.05 0.05 0.27 -0.69 0.00 0.00 174.62 174.30 2jna s ILE 41 N 0.58 4.26 -0.12 1.82 -4.36 0.52 -4.91 121.20 118.99 2jna s ILE 41 Ca -0.05 -0.95 0.01 0.00 -0.26 0.00 0.00 60.65 59.40 2jna s ILE 41 Cb -0.07 -3.07 0.02 0.00 1.25 0.00 0.00 42.46 40.59 2jna s ILE 41 CO -0.02 0.07 -0.14 0.20 0.24 0.00 0.00 174.94 175.30 2jna s ASN 42 N -2.50 2.48 -0.31 4.36 0.02 -1.26 -2.36 114.94 115.37 2jna s ASN 42 Ca 0.28 -0.43 -0.13 0.00 -1.02 0.00 0.00 52.86 51.56 2jna s ASN 42 Cb -0.11 -1.09 -0.03 0.00 0.02 0.00 0.00 41.25 40.03 2jna s ASN 42 CO 0.20 -0.02 0.25 -0.69 0.02 0.00 0.00 177.10 176.86 2jna s VAL 43 N 1.23 5.27 -0.43 1.60 1.01 -0.13 -4.98 120.40 123.98 2jna s VAL 43 Ca -0.01 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.09 2jna s VAL 43 Cb -0.14 -3.66 0.23 0.00 0.00 0.00 0.00 36.38 32.81 2jna s VAL 43 CO -0.05 0.10 0.58 -1.54 0.00 0.00 0.00 175.10 174.19 2jna n SER 44 N 5.15 -0.93 -4.90 3.32 3.41 -1.21 -0.08 113.62 118.38 2jna n SER 44 Ca -0.12 -2.78 -0.32 0.00 -0.26 0.00 0.00 58.87 55.39 2jna n SER 44 Cb 0.51 0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 64.52 2jna n SER 44 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2jna s GLN 45 N -0.36 3.39 -1.05 4.33 1.11 -1.12 -4.84 119.66 121.12 2jna s GLN 45 Ca 0.34 -0.42 -0.06 0.00 0.01 0.00 0.00 55.36 55.22 2jna s GLN 45 Cb 0.14 -3.03 0.00 0.00 -1.01 0.00 0.00 33.01 29.12 2jna s GLN 45 CO -0.15 0.63 2.78 0.43 0.01 0.00 0.00 175.29 178.98 2jna n SER 46 N 0.51 7.54 0.00 5.90 7.64 -1.26 -1.25 113.62 132.71 2jna n SER 46 Ca -0.07 -2.92 0.00 0.00 1.01 0.00 0.00 58.87 56.88 2jna n SER 46 Cb 0.52 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 2jna n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jna n GLY 47 N 2.12 2.23 0.39 0.23 0.00 -1.15 -4.57 105.19 104.44 2jna n GLY 47 Ca 0.61 -0.01 0.21 0.00 0.00 0.00 0.00 46.02 46.84 2jna n GLY 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jna h GLY 48 N 0.00 0.00 2.00 -0.02 0.00 -1.90 0.14 103.07 103.28 2jna h GLY 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jna h GLY 48 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 2jna n GLN 49 N -4.17 0.24 -4.05 4.80 6.02 -1.26 -4.55 117.38 114.41 2jna n GLN 49 Ca 0.10 0.24 -0.32 0.00 -0.01 0.00 0.00 57.00 57.00 2jna n GLN 49 Cb 0.63 -1.80 -0.15 0.00 1.02 0.00 0.00 30.24 29.94 2jna n GLN 49 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2jna s ILE 50 N -3.13 2.16 -0.07 5.09 -1.09 0.48 -4.80 121.20 119.84 2jna s ILE 50 Ca 0.10 -1.79 -0.02 0.00 -2.23 0.00 0.00 60.65 56.71 2jna s ILE 50 Cb 0.12 -2.35 -0.04 0.00 -1.58 0.00 0.00 42.46 38.61 2jna s ILE 50 CO 0.57 -0.17 -0.08 -1.20 -1.23 0.00 0.00 174.94 172.82 2jna n SER 51 N 4.40 1.95 -4.44 3.58 7.64 -1.26 -4.88 113.62 120.61 2jna n SER 51 Ca -0.10 0.03 -0.22 0.00 1.01 0.00 0.00 58.87 59.60 2jna n SER 51 Cb 0.42 -0.17 -0.10 0.00 -1.01 0.00 0.00 64.21 63.35 2jna n SER 51 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2jna s SER 52 N -5.20 2.91 0.62 6.43 1.04 -1.26 -5.02 113.70 113.22 2jna s SER 52 Ca -0.10 -1.17 0.40 0.00 0.48 0.00 0.00 55.95 55.55 2jna s SER 52 Cb 0.03 -0.19 1.97 0.00 0.10 0.00 0.00 66.02 67.93 2jna s SER 52 CO 0.15 -0.30 2.21 -0.65 0.98 0.00 0.00 173.24 175.63 2jna h PRO 53 N 2.26 0.00 -0.32 4.02 0.11 -1.98 -1.34 132.00 134.75 2jna h PRO 53 Ca -0.40 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.60 2jna h PRO 53 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2jna h PRO 53 CO 0.67 0.00 -0.22 0.77 -0.21 0.00 0.00 178.00 179.01 2jna h SER 54 N 0.00 0.74 -0.74 -2.05 0.02 -1.99 -0.76 113.55 108.77 2jna h SER 54 Ca -0.00 -0.44 -0.04 0.00 -0.84 0.00 0.00 61.79 60.47 2jna h SER 54 Cb 0.22 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 2jna h SER 54 CO 0.00 1.02 0.32 0.44 -1.14 0.00 0.00 176.83 177.47 2jna h ASP 55 N 0.47 1.02 -0.85 3.07 3.32 -1.65 -1.36 116.42 120.44 2jna h ASP 55 Ca 0.06 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2jna h ASP 55 Cb 0.78 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 2jna h ASP 55 CO 0.06 0.89 0.55 0.25 -1.72 0.00 0.00 179.24 179.27 2jna h LEU 56 N 1.09 1.00 -0.57 1.55 5.85 -1.22 -2.52 115.31 120.49 2jna h LEU 56 Ca 0.25 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 2jna h LEU 56 Cb 0.18 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2jna h LEU 56 CO -0.02 0.74 0.33 -0.09 -0.34 0.00 0.00 178.44 179.05 2jna h ARG 57 N 1.16 0.79 -0.27 1.25 2.43 -0.32 -1.45 114.38 117.96 2jna h ARG 57 Ca 0.31 -0.08 0.06 0.00 -0.81 0.00 0.00 59.98 59.46 2jna h ARG 57 Cb -0.10 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 29.23 2jna h ARG 57 CO -0.06 0.59 -0.12 0.93 -1.51 0.00 0.00 179.97 179.80 2jna h GLU 58 N 0.77 -0.07 -0.45 0.20 4.39 -0.85 0.32 114.58 118.88 2jna h GLU 58 Ca 0.20 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.81 2jna h GLU 58 Cb 0.02 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2jna h GLU 58 CO -0.03 -0.05 -0.11 0.87 -1.16 0.00 0.00 179.01 178.53 2jna h LYS 59 N -0.07 0.87 -0.33 2.33 6.56 -1.30 0.40 116.57 125.03 2jna h LYS 59 Ca 0.14 -0.34 -0.04 0.00 -1.06 0.00 0.00 60.65 59.36 2jna h LYS 59 Cb 0.29 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.88 2jna h LYS 59 CO -0.32 0.98 0.03 -0.07 -2.06 0.00 0.00 179.45 178.01 2jna h LEU 60 N 0.71 0.46 0.12 2.94 3.38 -0.83 -1.28 115.31 120.80 2jna h LEU 60 Ca 0.11 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2jna h LEU 60 Cb 0.66 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2jna h LEU 60 CO 0.05 0.51 -0.06 -1.28 0.09 0.00 0.00 178.44 177.75 2jna h SER 61 N 0.49 -0.13 0.13 -0.43 0.87 0.02 -2.94 113.55 111.55 2jna h SER 61 Ca 0.11 -0.40 -0.06 0.00 -1.23 0.00 0.00 61.79 60.21 2jna h SER 61 Cb 0.27 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2jna h SER 61 CO 0.00 0.37 -0.21 1.05 -0.53 0.00 0.00 176.83 177.51 2jna h GLU 62 N -0.69 0.16 -0.17 2.24 4.11 -0.77 0.23 114.58 119.70 2jna h GLU 62 Ca -0.02 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.34 2jna h GLU 62 Cb 0.52 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2jna h GLU 62 CO 0.03 0.38 -0.02 -0.07 0.07 0.00 0.00 179.01 179.39 2jna h LEU 63 N 0.15 0.31 -0.07 3.06 3.38 -1.32 -2.33 115.31 118.49 2jna h LEU 63 Ca 0.03 -0.35 -0.14 0.00 0.09 0.00 0.00 57.88 57.51 2jna h LEU 63 Cb 0.46 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.14 2jna h LEU 63 CO 0.03 0.58 -0.51 0.00 0.09 0.00 0.00 178.44 178.63 2jna h ALA 64 N 0.74 0.16 0.13 1.53 0.00 -1.26 -2.90 119.26 117.66 2jna h ALA 64 Ca 0.04 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2jna h ALA 64 Cb 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2jna h ALA 64 CO 0.01 0.36 -0.08 0.22 0.00 0.00 0.00 179.25 179.76 2jna h ASP 65 N 0.04 -0.20 0.84 0.00 1.82 -0.63 0.13 116.42 118.43 2jna h ASP 65 Ca -0.04 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 2jna h ASP 65 Cb 1.18 0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.24 2jna h ASP 65 CO 0.11 -0.13 0.00 0.00 -1.61 0.00 0.00 179.24 177.60 2jna h ALA 66 N 0.66 1.00 0.00 -0.78 0.00 -1.52 -1.92 119.26 116.70 2jna h ALA 66 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jna h ALA 66 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2jna h ALA 66 CO 0.01 0.00 -0.78 0.36 0.00 0.00 0.00 179.25 178.84 2jna n LYS 67 N -2.93 0.24 -1.18 0.00 -0.00 -0.93 -4.96 118.16 108.40 2jna n LYS 67 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 2jna n LYS 67 Cb 0.26 -1.61 0.00 0.00 -0.00 0.00 0.00 35.03 33.68 2jna n LYS 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jna n GLY 68 N 1.38 0.76 3.20 2.58 0.00 -0.67 -4.77 105.19 107.67 2jna n GLY 68 Ca 0.03 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.56 2jna n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jna s GLY 69 N -2.31 0.95 0.00 -0.02 0.00 0.36 -5.03 107.32 101.27 2jna s GLY 69 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 43.60 2jna s GLY 69 CO 0.00 -1.16 0.00 0.28 0.00 0.00 0.00 173.10 172.22 2jna n LYS 70 N 0.99 0.00 -3.68 2.90 4.76 -1.26 -3.99 118.16 117.89 2jna n LYS 70 Ca -0.19 0.21 -0.22 0.00 -2.87 0.00 0.00 58.31 55.24 2jna n LYS 70 Cb 0.55 -0.65 -0.04 0.00 -1.84 0.00 0.00 35.03 33.05 2jna n LYS 70 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2jna s TYR 71 N -0.72 2.70 0.17 2.13 2.02 -0.75 -4.89 117.35 117.99 2jna s TYR 71 Ca 0.00 -0.50 -0.02 0.00 -0.37 0.00 0.00 57.07 56.18 2jna s TYR 71 Cb 0.00 -2.12 -0.04 0.00 -0.40 0.00 0.00 41.96 39.40 2jna s TYR 71 CO 0.00 -0.05 0.11 1.52 -1.57 0.00 0.00 175.55 175.56 2jna s TYR 72 N -2.49 0.96 -0.17 2.71 -0.85 -1.26 -0.86 117.35 115.39 2jna s TYR 72 Ca 0.47 -1.26 -0.04 0.00 -0.52 0.00 0.00 57.07 55.71 2jna s TYR 72 Cb -0.02 -0.48 0.06 0.00 0.38 0.00 0.00 41.96 41.90 2jna s TYR 72 CO 0.27 -0.59 0.08 -1.58 -1.52 0.00 0.00 175.55 172.20 2jna s HIS 73 N -4.09 0.32 -0.20 -3.49 2.46 0.70 -4.32 115.29 106.67 2jna s HIS 73 Ca 0.30 -0.37 -0.29 0.00 0.47 0.00 0.00 55.06 55.18 2jna s HIS 73 Cb 0.07 -0.74 -0.04 0.00 -0.13 0.00 0.00 32.58 31.74 2jna s HIS 73 CO 0.06 -0.51 1.83 0.42 -2.47 0.00 0.00 174.74 174.07 2jna s ILE 74 N 2.09 3.41 -0.13 0.89 1.01 -1.26 -2.06 121.20 125.15 2jna s ILE 74 Ca 0.02 0.45 0.19 0.00 0.00 0.00 0.00 60.65 61.31 2jna s ILE 74 Cb -0.16 -3.44 -0.25 0.00 0.01 0.00 0.00 42.46 38.62 2jna s ILE 74 CO -0.08 -0.20 0.36 2.30 0.00 0.00 0.00 174.94 177.31 2jna n ILE 75 N 6.72 0.96 -3.67 2.92 -5.35 -0.13 -4.95 119.36 115.87 2jna n ILE 75 Ca 0.22 -0.72 -0.09 0.00 -0.27 0.00 0.00 62.75 61.88 2jna n ILE 75 Cb 0.45 -0.40 -0.09 0.00 -1.74 0.00 0.00 39.64 37.86 2jna n ILE 75 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jna s ALA 76 N -2.87 -1.50 -0.31 -1.28 0.00 -1.17 -5.03 121.76 109.60 2jna s ALA 76 Ca -0.08 1.96 -0.02 0.00 0.00 0.00 0.00 51.96 53.83 2jna s ALA 76 Cb 0.09 -1.16 0.10 0.00 0.00 0.00 0.00 23.12 22.15 2jna s ALA 76 CO 0.85 -0.32 0.13 0.00 0.00 0.00 0.00 175.76 176.41 2jna s ALA 77 N 1.33 1.15 0.30 0.00 0.00 -1.26 0.24 121.76 123.52 2jna s ALA 77 Ca -0.08 -1.50 0.06 0.00 0.00 0.00 0.00 51.96 50.45 2jna s ALA 77 Cb -0.06 -1.54 -0.06 0.00 0.00 0.00 0.00 23.12 21.46 2jna s ALA 77 CO -0.14 -1.71 -0.04 -0.98 0.00 0.00 0.00 175.76 172.89 2jna s ARG 78 N 1.71 1.60 -0.16 0.00 1.70 0.43 -4.97 118.95 119.27 2jna s ARG 78 Ca 0.10 -1.83 -0.03 0.00 -0.47 0.00 0.00 55.73 53.50 2jna s ARG 78 Cb -0.17 -1.18 -0.03 0.00 -0.57 0.00 0.00 34.95 33.00 2jna s ARG 78 CO -0.27 0.01 -0.05 -1.21 -1.08 0.00 0.00 175.30 172.71 2jna s GLU 79 N -3.74 3.63 -0.20 3.89 2.02 -1.26 -0.37 118.70 122.66 2jna s GLU 79 Ca 0.31 -0.54 0.15 0.00 0.02 0.00 0.00 54.97 54.91 2jna s GLU 79 Cb 0.05 -2.89 0.79 0.00 0.10 0.00 0.00 34.13 32.17 2jna s GLU 79 CO 0.13 0.21 1.71 1.58 0.02 0.00 0.00 175.26 178.91 2jna n HIS 80 N 3.61 1.88 0.00 1.61 -0.00 0.34 -4.96 115.22 117.70 2jna n HIS 80 Ca -0.17 -0.70 0.00 0.00 0.46 0.00 0.00 57.72 57.31 2jna n HIS 80 Cb 0.52 -0.43 0.00 0.00 -0.12 0.00 0.00 29.99 29.97 2jna n HIS 80 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2jna n GLY 81 N 0.75 1.26 0.08 1.57 0.00 -1.26 -4.47 105.19 103.11 2jna n GLY 81 Ca 0.27 -0.79 0.13 0.00 0.00 0.00 0.00 46.02 45.63 2jna n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jna n PRO 82 N 0.00 0.21 -4.90 1.61 -0.04 -1.26 -4.83 135.00 125.79 2jna n PRO 82 Ca 0.00 0.16 -0.33 0.00 -0.04 0.00 0.00 63.50 63.30 2jna n PRO 82 Cb 0.00 -1.74 -0.13 0.00 -0.04 0.00 0.00 33.50 31.59 2jna n PRO 82 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2jna s ASN 83 N -4.21 3.99 -0.33 3.54 0.02 -1.26 -2.91 114.94 113.78 2jna s ASN 83 Ca 0.11 -0.21 -0.13 0.00 -1.02 0.00 0.00 52.86 51.61 2jna s ASN 83 Cb 0.14 -0.89 -0.02 0.00 0.02 0.00 0.00 41.25 40.50 2jna s ASN 83 CO 0.60 0.33 0.24 0.12 0.02 0.00 0.00 177.10 178.41 2jna s PHE 84 N -0.65 3.23 -0.34 2.20 5.36 -0.38 -0.50 117.98 126.89 2jna s PHE 84 Ca 0.10 -0.17 -0.08 0.00 -0.96 0.00 0.00 56.93 55.82 2jna s PHE 84 Cb -0.11 -2.48 0.03 0.00 -0.34 0.00 0.00 43.02 40.12 2jna s PHE 84 CO 0.01 -0.34 0.14 -1.21 -1.46 0.00 0.00 175.22 172.35 2jna s GLU 85 N 1.74 2.81 -0.20 10.12 2.02 0.49 -2.79 118.70 132.90 2jna s GLU 85 Ca 0.06 -1.07 0.01 0.00 0.02 0.00 0.00 54.97 54.00 2jna s GLU 85 Cb -0.17 -3.55 0.03 0.00 0.10 0.00 0.00 34.13 30.54 2jna s GLU 85 CO 0.11 -0.63 -0.17 0.00 0.02 0.00 0.00 175.26 174.59 2jna s ALA 86 N 1.49 2.35 -0.37 5.21 0.00 0.89 -0.43 121.76 130.89 2jna s ALA 86 Ca 0.01 -1.34 -0.15 0.00 0.00 0.00 0.00 51.96 50.48 2jna s ALA 86 Cb -0.19 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.65 2jna s ALA 86 CO 0.04 -0.58 0.33 0.08 0.00 0.00 0.00 175.76 175.63 2jna s VAL 87 N 1.26 5.21 -0.11 0.00 1.01 0.14 -0.95 120.40 126.95 2jna s VAL 87 Ca 0.01 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.72 2jna s VAL 87 Cb -0.15 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.39 2jna s VAL 87 CO -0.11 -0.19 -0.13 0.00 0.00 0.00 0.00 175.10 174.67 2jna s ALA 88 N 1.87 1.59 0.07 5.51 0.00 -1.00 -0.95 121.76 128.85 2jna s ALA 88 Ca 0.08 -0.68 -0.11 0.00 0.00 0.00 0.00 51.96 51.25 2jna s ALA 88 Cb -0.18 -0.86 -0.06 0.00 0.00 0.00 0.00 23.12 22.03 2jna s ALA 88 CO 0.11 -0.18 0.42 -1.21 0.00 0.00 0.00 175.76 174.91 2jna s GLU 89 N 1.19 3.82 -0.16 0.00 2.02 -0.87 -0.35 118.70 124.34 2jna s GLU 89 Ca -0.03 0.27 -0.13 0.00 0.02 0.00 0.00 54.97 55.09 2jna s GLU 89 Cb -0.14 -3.04 -0.05 0.00 0.10 0.00 0.00 34.13 31.01 2jna s GLU 89 CO -0.04 0.58 0.27 0.08 0.02 0.00 0.00 175.26 176.17 2jna s VAL 90 N -1.34 5.32 -0.05 2.63 1.01 0.62 -0.21 120.40 128.37 2jna s VAL 90 Ca 0.32 0.51 0.04 0.00 0.00 0.00 0.00 61.98 62.84 2jna s VAL 90 Cb -0.15 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 2jna s VAL 90 CO 0.17 0.40 -0.17 -0.31 0.00 0.00 0.00 175.10 175.19 2jna s TYR 91 N 0.40 1.78 0.28 5.22 2.02 -0.04 -0.66 117.35 126.35 2jna s TYR 91 Ca 0.16 -0.56 0.08 0.00 -0.37 0.00 0.00 57.07 56.37 2jna s TYR 91 Cb -0.13 -1.21 -0.04 0.00 -0.40 0.00 0.00 41.96 40.18 2jna s TYR 91 CO 0.03 -0.21 0.18 1.21 -1.57 0.00 0.00 175.55 175.19 2jna s ASN 92 N 0.16 5.26 0.95 2.29 3.84 -0.20 -1.82 114.94 125.43 2jna s ASN 92 Ca -0.07 -0.40 -0.11 0.00 0.21 0.00 0.00 52.86 52.48 2jna s ASN 92 Cb -0.13 -1.17 0.16 0.00 -0.55 0.00 0.00 41.25 39.56 2jna s ASN 92 CO 0.03 -0.12 1.09 -0.62 -2.79 0.00 0.00 177.10 174.70 2jna s ASP 93 N -3.85 2.79 -1.23 -4.21 -1.08 -1.26 -2.79 116.67 105.05 2jna s ASP 93 Ca 0.35 1.74 -0.13 0.00 -0.52 0.00 0.00 52.55 53.99 2jna s ASP 93 Cb -0.07 -2.36 -0.06 0.00 -1.46 0.00 0.00 42.92 38.98 2jna s ASP 93 CO 0.24 -3.11 2.32 0.00 0.52 0.00 0.00 175.17 175.14 2jna n ALA 94 N -4.21 5.36 0.00 3.66 0.00 -1.26 -1.60 120.51 122.45 2jna n ALA 94 Ca 0.08 -3.25 0.00 0.00 0.00 0.00 0.00 53.44 50.26 2jna n ALA 94 Cb 0.54 -3.41 0.00 0.00 0.00 0.00 0.00 19.45 16.58 2jna n ALA 94 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2jna n THR 95 N 4.74 0.00 0.00 0.00 5.66 -1.26 -5.11 114.28 118.31 2jna n THR 95 Ca 0.57 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.57 2jna n THR 95 Cb 0.30 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.08 2jna n THR 95 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2jna n LYS 96 N 0.00 0.00 -0.73 1.09 4.01 -0.63 -4.97 118.16 116.93 2jna n LYS 96 Ca 0.00 0.00 0.02 0.00 -0.51 0.00 0.00 58.31 57.82 2jna n LYS 96 Cb 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 34.51 2jna n LYS 96 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2jna n LEU 97 N 0.00 -0.74 -3.77 -0.35 4.77 -1.26 -4.79 117.00 110.86 2jna n LEU 97 Ca 0.00 1.31 -0.13 0.00 -0.03 0.00 0.00 56.01 57.17 2jna n LEU 97 Cb 0.00 -1.06 -0.12 0.00 -2.33 0.00 0.00 43.42 39.92 2jna n LEU 97 CO 0.00 -0.51 -0.07 -0.70 -1.33 0.00 0.00 177.39 174.78 2jna s GLU 98 N -4.47 0.31 0.50 3.23 -6.30 -1.26 -5.03 118.70 105.68 2jna s GLU 98 Ca 0.00 0.41 0.29 0.00 -2.50 0.00 0.00 54.97 53.17 2jna s GLU 98 Cb 0.00 0.12 0.95 0.00 0.00 0.00 0.00 34.13 35.20 2jna s GLU 98 CO 0.00 -0.06 1.83 1.25 0.02 0.00 0.00 175.26 178.30 2jna h HIS 99 N 5.95 0.00 -0.01 5.30 -0.00 -1.98 0.11 115.15 124.52 2jna h HIS 99 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.09 2jna h HIS 99 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.60 2jna h HIS 99 CO 0.39 0.03 -0.20 0.72 -0.00 0.00 0.00 177.93 178.87 2jna n HIS 100 N -3.12 0.00 -2.75 5.26 8.25 -1.26 -5.02 115.22 116.58 2jna n HIS 100 Ca 0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.47 2jna n HIS 100 Cb 0.40 -0.04 -0.00 0.00 1.12 0.00 0.00 29.99 31.46 2jna n HIS 100 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jna n HIS 101 N 0.01 -3.77 -3.88 4.41 -0.00 0.40 -5.07 115.22 107.31 2jna n HIS 101 Ca 0.14 1.73 -0.11 0.00 0.46 0.00 0.00 57.72 59.93 2jna n HIS 101 Cb 0.42 -3.80 -0.13 0.00 -0.12 0.00 0.00 29.99 26.36 2jna n HIS 101 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2jna s HIS 102 N -1.50 0.03 -0.05 1.57 3.76 -1.26 -5.04 115.29 112.80 2jna s HIS 102 Ca -0.03 -0.06 -0.19 0.00 -0.15 0.00 0.00 55.06 54.64 2jna s HIS 102 Cb 0.00 -0.03 0.04 0.00 1.11 0.00 0.00 32.58 33.70 2jna s HIS 102 CO 0.73 -0.05 0.43 -3.38 -0.85 0.00 0.00 174.74 171.62 2jna s HIS 103 N -0.27 -0.36 0.00 1.40 -3.43 -1.26 -4.78 115.29 106.59 2jna s HIS 103 Ca -0.03 0.66 0.00 0.00 -0.80 0.00 0.00 55.06 54.89 2jna s HIS 103 Cb -0.02 0.19 0.00 0.00 -1.43 0.00 0.00 32.58 31.32 2jna s HIS 103 CO -0.00 -0.41 0.00 1.58 -2.00 0.00 0.00 174.74 173.91