#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jna n LYS 2 N 0.00 0.61 -2.28 2.12 5.02 -1.26 -4.88 118.16 117.49 2jna n LYS 2 Ca 0.00 0.04 -0.35 0.00 -2.02 0.00 0.00 58.31 55.98 2jna n LYS 2 Cb 0.00 -1.18 -0.04 0.00 -0.02 0.00 0.00 35.03 33.80 2jna n LYS 2 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2jna s LYS 3 N -2.18 2.99 -0.09 1.97 -0.14 -1.26 -4.95 119.74 116.09 2jna s LYS 3 Ca -0.11 -0.38 -0.30 0.00 -1.36 0.00 0.00 55.97 53.83 2jna s LYS 3 Cb 0.03 -4.90 -0.05 0.00 -1.68 0.00 0.00 37.83 31.23 2jna s LYS 3 CO 0.22 -2.71 1.59 1.03 -0.76 0.00 0.00 175.35 174.71 2jna s ARG 4 N 6.19 4.15 0.64 1.68 0.52 -1.26 -5.01 118.95 125.86 2jna s ARG 4 Ca 0.57 2.05 -0.07 0.00 -0.52 0.00 0.00 55.73 57.75 2jna s ARG 4 Cb -0.06 -3.96 0.02 0.00 0.52 0.00 0.00 34.95 31.48 2jna s ARG 4 CO 0.03 -0.87 0.97 0.96 0.02 0.00 0.00 175.30 176.40 2jna s ILE 5 N 4.08 3.35 -0.47 1.52 -5.25 -1.26 -5.05 121.20 118.13 2jna s ILE 5 Ca 0.70 0.07 -0.10 0.00 -0.99 0.00 0.00 60.65 60.34 2jna s ILE 5 Cb -0.30 -3.38 0.12 0.00 2.95 0.00 0.00 42.46 41.85 2jna s ILE 5 CO 0.27 -0.42 0.35 0.27 -1.79 0.00 0.00 174.94 173.62 2jna s ILE 6 N -3.13 4.27 -0.01 8.37 -4.36 -1.26 -5.04 121.20 120.04 2jna s ILE 6 Ca 0.56 -1.73 0.00 0.00 -0.26 0.00 0.00 60.65 59.22 2jna s ILE 6 Cb -0.11 -3.79 0.01 0.00 1.25 0.00 0.00 42.46 39.83 2jna s ILE 6 CO 0.47 -0.76 -0.00 0.00 0.24 0.00 0.00 174.94 174.89 2jna s ALA 7 N 1.38 0.20 0.05 2.27 0.00 -1.26 -5.04 121.76 119.36 2jna s ALA 7 Ca 0.05 0.08 -0.05 0.00 0.00 0.00 0.00 51.96 52.05 2jna s ALA 7 Cb -0.26 -0.18 -0.29 0.00 0.00 0.00 0.00 23.12 22.39 2jna s ALA 7 CO -0.00 -0.03 1.06 0.00 0.00 0.00 0.00 175.76 176.79 2jna h ALA 8 N 6.74 0.11 -5.35 0.00 0.00 -2.08 -3.49 119.26 115.19 2jna h ALA 8 Ca -0.36 -0.94 -0.00 0.00 0.00 0.00 0.00 54.91 53.61 2jna h ALA 8 Cb 1.16 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2jna h ALA 8 CO 0.49 0.99 -0.01 0.00 0.00 0.00 0.00 179.25 180.72 2jna n ALA 9 N -2.58 -2.49 -2.74 0.00 0.00 -1.26 -4.92 120.51 106.52 2jna n ALA 9 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 2jna n ALA 9 Cb 1.04 -1.54 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 2jna n ALA 9 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2jna s LEU 10 N -4.00 4.03 -0.01 0.00 2.96 -1.26 -4.85 118.68 115.55 2jna s LEU 10 Ca 0.01 -1.11 -0.21 0.00 -0.22 0.00 0.00 54.13 52.59 2jna s LEU 10 Cb -0.00 -2.48 -0.24 0.00 0.50 0.00 0.00 46.19 43.97 2jna s LEU 10 CO 0.74 -1.49 1.06 -0.07 -1.32 0.00 0.00 176.35 175.27 2jna h LEU 11 N 11.88 0.46 -2.69 -0.68 3.38 -2.06 -3.49 115.31 122.12 2jna h LEU 11 Ca -0.12 -0.79 -0.12 0.00 0.09 0.00 0.00 57.88 56.94 2jna h LEU 11 Cb 1.05 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2jna h LEU 11 CO 1.24 1.19 -0.38 0.00 0.09 0.00 0.00 178.44 180.58 2jna n ALA 12 N -2.59 -2.65 -2.48 1.53 0.00 -1.26 -5.03 120.51 108.04 2jna n ALA 12 Ca -0.11 0.20 -0.25 0.00 0.00 0.00 0.00 53.44 53.28 2jna n ALA 12 Cb 0.66 -1.85 -0.15 0.00 0.00 0.00 0.00 19.45 18.10 2jna n ALA 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2jna s THR 13 N -2.82 1.48 0.40 0.00 2.01 -1.26 -5.12 115.64 110.33 2jna s THR 13 Ca 0.07 -0.86 -0.27 0.00 0.31 0.00 0.00 61.69 60.95 2jna s THR 13 Cb -0.02 -1.24 -0.10 0.00 0.01 0.00 0.00 72.50 71.16 2jna s THR 13 CO 0.79 0.37 1.42 0.54 -0.69 0.00 0.00 174.62 177.05 2jna s VAL 14 N -0.50 2.21 -0.39 3.82 0.11 -1.26 -4.91 120.40 119.47 2jna s VAL 14 Ca 0.07 0.20 -0.28 0.00 -2.93 0.00 0.00 61.98 59.03 2jna s VAL 14 Cb -0.07 -3.12 -0.01 0.00 -1.53 0.00 0.00 36.38 31.65 2jna s VAL 14 CO -0.00 0.04 1.67 0.00 -3.33 0.00 0.00 175.10 173.48 2jna s ALA 15 N -1.17 2.85 -0.01 1.54 0.00 -1.26 -4.86 121.76 118.85 2jna s ALA 15 Ca 0.56 0.01 -0.07 0.00 0.00 0.00 0.00 51.96 52.46 2jna s ALA 15 Cb -0.43 -4.02 -0.29 0.00 0.00 0.00 0.00 23.12 18.37 2jna s ALA 15 CO 0.57 -2.69 0.82 0.77 0.00 0.00 0.00 175.76 175.23 2jna h SER 16 N 12.34 0.50 -5.02 0.00 0.02 -2.07 -3.48 113.55 115.84 2jna h SER 16 Ca -0.31 -0.69 -0.06 0.00 -0.84 0.00 0.00 61.79 59.89 2jna h SER 16 Cb 1.15 -0.16 -0.16 0.00 0.14 0.00 0.00 62.40 63.36 2jna h SER 16 CO 1.07 1.57 0.03 0.72 -1.14 0.00 0.00 176.83 179.08 2jna s PHE 17 N -2.60 -0.41 -0.24 3.45 -0.71 -1.26 -5.14 117.98 111.06 2jna s PHE 17 Ca -0.11 0.45 0.01 0.00 -1.04 0.00 0.00 56.93 56.25 2jna s PHE 17 Cb 0.06 0.34 0.06 0.00 -1.21 0.00 0.00 43.02 42.27 2jna s PHE 17 CO 0.86 -0.64 -0.06 -1.12 -1.34 0.00 0.00 175.22 172.92 2jna s SER 18 N -1.98 3.99 0.05 1.98 0.01 -1.26 -4.99 113.70 111.50 2jna s SER 18 Ca -0.05 -1.25 -0.16 0.00 1.31 0.00 0.00 55.95 55.80 2jna s SER 18 Cb -0.01 -1.25 -0.26 0.00 0.21 0.00 0.00 66.02 64.71 2jna s SER 18 CO -0.02 -0.23 1.12 0.71 0.41 0.00 0.00 173.24 175.23 2jna h THR 19 N 6.68 1.32 -3.31 1.44 1.35 -2.05 -3.42 112.91 114.92 2jna h THR 19 Ca -0.18 -2.32 -0.55 0.00 -0.55 0.00 0.00 66.41 62.82 2jna h THR 19 Cb 1.06 2.60 -0.40 0.00 -1.73 0.00 0.00 68.15 69.68 2jna h THR 19 CO 0.42 0.70 -0.77 -0.22 -0.25 0.00 0.00 175.52 175.41 2jna s LEU 20 N -8.04 1.66 -0.29 3.87 2.96 -1.26 -5.10 118.68 112.47 2jna s LEU 20 Ca -0.10 -1.07 -0.19 0.00 -0.22 0.00 0.00 54.13 52.54 2jna s LEU 20 Cb 0.05 -0.76 0.13 0.00 0.50 0.00 0.00 46.19 46.12 2jna s LEU 20 CO 0.90 -0.32 0.97 0.00 -1.32 0.00 0.00 176.35 176.58 2jna s ALA 21 N 1.72 -2.15 -0.28 5.97 0.00 -1.26 -5.08 121.76 120.69 2jna s ALA 21 Ca 0.01 2.12 -0.04 0.00 0.00 0.00 0.00 51.96 54.05 2jna s ALA 21 Cb -0.17 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.35 2jna s ALA 21 CO -0.12 -0.32 0.15 0.00 0.00 0.00 0.00 175.76 175.48 2jna n ALA 22 N 3.30 -3.28 -3.38 0.00 0.00 -1.26 -5.06 120.51 110.83 2jna n ALA 22 Ca -0.17 0.57 -0.13 0.00 0.00 0.00 0.00 53.44 53.71 2jna n ALA 22 Cb 0.57 -1.50 -0.09 0.00 0.00 0.00 0.00 19.45 18.43 2jna n ALA 22 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jna s GLU 23 N -1.61 0.33 0.03 0.00 2.02 -1.26 -5.14 118.70 113.07 2jna s GLU 23 Ca 0.06 0.21 -0.27 0.00 0.02 0.00 0.00 54.97 54.99 2jna s GLU 23 Cb -0.02 -0.62 0.08 0.00 0.10 0.00 0.00 34.13 33.68 2jna s GLU 23 CO 0.63 -0.83 0.72 -1.14 0.02 0.00 0.00 175.26 174.66 2jna s GLN 24 N 2.46 1.06 -0.20 1.61 0.74 -1.26 -4.84 119.66 119.22 2jna s GLN 24 Ca 0.10 -0.16 -0.09 0.00 0.05 0.00 0.00 55.36 55.26 2jna s GLN 24 Cb -0.14 0.49 -0.05 0.00 1.10 0.00 0.00 33.01 34.41 2jna s GLN 24 CO -0.23 -0.42 0.11 0.14 -0.55 0.00 0.00 175.29 174.34 2jna s VAL 25 N -2.62 5.11 0.63 1.34 -7.23 -1.26 -5.05 120.40 111.32 2jna s VAL 25 Ca -0.02 0.09 -0.18 0.00 -1.81 0.00 0.00 61.98 60.06 2jna s VAL 25 Cb -0.01 -3.34 -0.02 0.00 0.56 0.00 0.00 36.38 33.58 2jna s VAL 25 CO -0.04 0.42 1.20 -0.44 -0.31 0.00 0.00 175.10 175.93 2jna s SER 26 N 0.59 4.97 0.25 4.85 0.01 -1.26 -4.76 113.70 118.34 2jna s SER 26 Ca 0.06 2.35 -0.04 0.00 1.31 0.00 0.00 55.95 59.63 2jna s SER 26 Cb -0.12 -2.59 0.35 0.00 0.21 0.00 0.00 66.02 63.87 2jna s SER 26 CO 0.01 -1.74 1.88 0.50 0.41 0.00 0.00 173.24 174.30 2jna h LYS 27 N 0.56 1.12 -0.85 12.44 3.64 -1.98 0.11 116.57 131.61 2jna h LYS 27 Ca -0.50 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 58.81 2jna h LYS 27 Cb 1.29 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 2jna h LYS 27 CO 0.54 0.74 0.49 1.96 -2.27 0.00 0.00 179.45 180.91 2jna h GLN 28 N 1.16 1.16 0.00 1.90 7.50 -1.99 -2.44 115.11 122.40 2jna h GLN 28 Ca 0.40 -0.12 -0.12 0.00 0.50 0.00 0.00 58.65 59.31 2jna h GLN 28 Cb 0.10 -0.24 -0.02 0.00 0.05 0.00 0.00 27.48 27.37 2jna h GLN 28 CO -0.15 0.83 -0.59 0.93 -1.50 0.00 0.00 178.83 178.35 2jna h GLU 29 N 1.18 0.00 -0.47 1.46 4.39 -1.55 0.23 114.58 119.82 2jna h GLU 29 Ca 0.30 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 2jna h GLU 29 Cb -0.01 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 2jna h GLU 29 CO -0.05 0.59 0.28 0.82 -1.16 0.00 0.00 179.01 179.49 2jna h ILE 30 N 0.00 1.15 -0.03 3.13 2.04 -0.39 0.15 117.51 123.55 2jna h ILE 30 Ca -0.01 -0.33 -0.16 0.00 1.00 0.00 0.00 64.86 65.36 2jna h ILE 30 Cb 1.30 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2jna h ILE 30 CO 0.08 0.15 -0.69 0.28 0.00 0.00 0.00 178.15 177.97 2jna h SER 31 N 0.63 0.18 0.35 1.72 0.02 -1.29 -0.18 113.55 114.98 2jna h SER 31 Ca 0.17 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 2jna h SER 31 Cb -0.01 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2jna h SER 31 CO -0.03 0.81 -0.17 -0.74 -1.14 0.00 0.00 176.83 175.56 2jna h HIS 32 N 0.10 -0.44 -0.00 3.45 6.17 0.03 -3.24 115.15 121.21 2jna h HIS 32 Ca -0.02 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.05 2jna h HIS 32 Cb 1.23 0.14 0.00 0.00 2.52 0.00 0.00 27.41 31.30 2jna h HIS 32 CO 0.02 -0.12 -0.55 1.19 0.71 0.00 0.00 177.93 179.17 2jna n PHE 33 N -5.18 0.00 -3.07 5.26 3.72 0.47 -4.99 117.46 113.66 2jna n PHE 33 Ca -0.10 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.29 2jna n PHE 33 Cb 0.27 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 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 -1.25 -1.39 -1.64 -1.08 4.76 -0.14 -4.88 118.16 112.54 2jna n LYS 34 Ca 0.07 1.51 -0.30 0.00 -2.87 0.00 0.00 58.31 56.71 2jna n LYS 34 Cb 0.34 -5.64 0.06 0.00 -1.84 0.00 0.00 35.03 27.96 2jna n LYS 34 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2jna s LEU 35 N -3.95 2.85 -0.18 -0.35 1.43 -0.82 -4.63 118.68 113.03 2jna s LEU 35 Ca 0.01 1.37 -0.17 0.00 -1.03 0.00 0.00 54.13 54.32 2jna s LEU 35 Cb -0.00 -4.13 -0.04 0.00 0.03 0.00 0.00 46.19 42.05 2jna s LEU 35 CO 0.76 -1.62 0.43 -0.69 0.23 0.00 0.00 176.35 175.46 2jna s VAL 36 N -3.16 5.18 -0.18 -1.59 1.01 0.34 -4.90 120.40 117.09 2jna s VAL 36 Ca 0.59 0.80 -0.29 0.00 0.00 0.00 0.00 61.98 63.08 2jna s VAL 36 Cb -0.13 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 2jna s VAL 36 CO 0.54 0.26 1.56 -0.75 0.00 0.00 0.00 175.10 176.71 2jna s LYS 37 N 1.17 3.95 -0.15 2.72 2.47 -1.26 -1.04 119.74 127.60 2jna s LYS 37 Ca 0.21 1.76 0.14 0.00 -1.56 0.00 0.00 55.97 56.53 2jna s LYS 37 Cb -0.15 -3.98 0.35 0.00 -1.46 0.00 0.00 37.83 32.59 2jna s LYS 37 CO 0.08 -1.11 1.18 1.33 0.16 0.00 0.00 175.35 177.00 2jna n VAL 38 N 6.05 1.79 0.00 4.02 0.24 -0.54 -4.96 118.33 124.92 2jna n VAL 38 Ca 0.18 -2.54 0.00 0.00 -2.04 0.00 0.00 64.34 59.94 2jna n VAL 38 Cb 0.45 -0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 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 -1.03 0.66 2.87 7.63 0.00 -1.25 -4.83 105.19 109.25 2jna n GLY 39 Ca 0.16 -2.24 -0.19 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.73 0.44 -0.11 2.61 2.01 -1.26 -0.25 115.64 118.35 2jna s THR 40 Ca 0.00 -0.06 -0.04 0.00 0.31 0.00 0.00 61.69 61.90 2jna s THR 40 Cb 0.00 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 2jna s THR 40 CO 0.00 0.20 0.05 0.27 -0.69 0.00 0.00 174.62 174.45 2jna s ILE 41 N 0.95 4.73 -0.07 1.82 -4.36 0.54 -4.93 121.20 119.89 2jna s ILE 41 Ca -0.11 -0.08 -0.01 0.00 -0.26 0.00 0.00 60.65 60.19 2jna s ILE 41 Cb -0.14 -3.03 0.03 0.00 1.25 0.00 0.00 42.46 40.57 2jna s ILE 41 CO -0.00 0.59 -0.01 0.21 0.24 0.00 0.00 174.94 175.97 2jna s ASN 42 N -0.76 1.45 -0.24 4.36 2.47 -1.26 -1.27 114.94 119.69 2jna s ASN 42 Ca 0.12 -0.10 -0.17 0.00 0.42 0.00 0.00 52.86 53.13 2jna s ASN 42 Cb -0.12 -0.46 -0.03 0.00 -1.45 0.00 0.00 41.25 39.19 2jna s ASN 42 CO 0.03 -0.16 0.46 -0.69 -3.72 0.00 0.00 177.10 173.02 2jna s VAL 43 N 1.72 5.13 -0.02 -5.21 1.01 0.17 -4.90 120.40 118.29 2jna s VAL 43 Ca 0.01 0.78 0.24 0.00 0.00 0.00 0.00 61.98 63.02 2jna s VAL 43 Cb -0.13 -3.78 0.41 0.00 0.00 0.00 0.00 36.38 32.89 2jna s VAL 43 CO -0.04 0.15 1.16 -0.24 0.00 0.00 0.00 175.10 176.12 2jna n SER 44 N 5.16 0.92 -4.93 3.32 2.88 -1.24 -0.43 113.62 119.30 2jna n SER 44 Ca -0.06 -2.00 -0.25 0.00 -1.33 0.00 0.00 58.87 55.22 2jna n SER 44 Cb 0.50 -0.27 -0.00 0.00 -0.75 0.00 0.00 64.21 63.68 2jna n SER 44 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2jna s GLN 45 N -0.28 3.45 0.80 -1.46 1.11 -1.24 -4.79 119.66 117.25 2jna s GLN 45 Ca 0.31 -0.13 -0.12 0.00 0.01 0.00 0.00 55.36 55.44 2jna s GLN 45 Cb 0.36 -2.53 0.08 0.00 -1.01 0.00 0.00 33.01 29.92 2jna s GLN 45 CO -0.15 -0.05 1.15 0.45 0.01 0.00 0.00 175.29 176.69 2jna s SER 46 N -4.09 3.86 0.67 5.90 0.15 -1.26 -0.69 113.70 118.24 2jna s SER 46 Ca 0.44 2.14 0.38 0.00 0.70 0.00 0.00 55.95 59.61 2jna s SER 46 Cb -0.10 -2.56 2.08 0.00 -1.71 0.00 0.00 66.02 63.73 2jna s SER 46 CO 0.40 -2.48 2.18 1.23 1.20 0.00 0.00 173.24 175.77 2jna h GLY 47 N -1.07 0.00 2.00 9.45 0.00 -1.09 -0.11 103.07 112.25 2jna h GLY 47 Ca -0.45 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 2jna h GLY 47 CO 0.47 0.00 -0.03 -1.33 0.00 0.00 0.00 176.54 175.65 2jna h GLY 48 N 0.00 0.00 -1.42 4.60 0.00 -1.90 -2.67 103.07 101.68 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 -0.19 -1.06 0.00 0.00 0.00 176.54 175.29 2jna n GLN 49 N -3.15 1.77 -3.47 4.80 6.02 -0.06 -4.40 117.38 118.90 2jna n GLN 49 Ca 0.00 -1.45 -0.26 0.00 -0.01 0.00 0.00 57.00 55.27 2jna n GLN 49 Cb 0.30 -1.43 -0.09 0.00 1.02 0.00 0.00 30.24 30.04 2jna n GLN 49 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2jna n ILE 50 N 0.70 0.39 0.61 5.09 2.08 -1.01 -4.86 119.36 122.36 2jna n ILE 50 Ca 0.11 -4.32 0.11 0.00 0.56 0.00 0.00 62.75 59.21 2jna n ILE 50 Cb 0.51 -1.96 -0.04 0.00 -0.75 0.00 0.00 39.64 37.40 2jna n ILE 50 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 2jna n SER 51 N 1.82 0.61 -3.57 4.38 2.88 -1.23 -4.83 113.62 113.68 2jna n SER 51 Ca 0.25 -0.39 -0.11 0.00 -1.33 0.00 0.00 58.87 57.29 2jna n SER 51 Cb 0.45 1.02 -0.04 0.00 -0.75 0.00 0.00 64.21 64.89 2jna n SER 51 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2jna s SER 52 N -3.73 -0.33 0.34 -3.46 0.01 -1.26 -4.99 113.70 100.28 2jna s SER 52 Ca 0.03 -0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.08 2jna s SER 52 Cb 0.15 0.51 0.61 0.00 0.21 0.00 0.00 66.02 67.50 2jna s SER 52 CO 0.83 -0.89 1.99 1.55 0.41 0.00 0.00 173.24 177.14 2jna h PRO 53 N 2.26 0.82 -0.45 12.44 0.13 -2.00 -0.23 132.00 144.97 2jna h PRO 53 Ca -0.34 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.70 2jna h PRO 53 Cb 1.27 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 2jna h PRO 53 CO 0.44 0.57 0.18 0.77 -0.23 0.00 0.00 178.00 179.73 2jna h SER 54 N 0.84 0.63 0.27 1.44 0.02 -2.02 -2.87 113.55 111.85 2jna h SER 54 Ca 0.22 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 2jna h SER 54 Cb -0.05 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 2jna h SER 54 CO -0.04 0.63 -0.17 -0.78 -1.14 0.00 0.00 176.83 175.32 2jna h ASP 55 N 0.59 0.00 0.25 3.07 3.58 -1.69 -3.01 116.42 119.21 2jna h ASP 55 Ca 0.15 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 2jna h ASP 55 Cb 0.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 2jna h ASP 55 CO -0.01 0.17 -0.12 0.25 -2.88 0.00 0.00 179.24 176.65 2jna h LEU 56 N 0.00 -0.29 -1.55 2.28 5.85 -0.84 -2.82 115.31 117.94 2jna h LEU 56 Ca -0.00 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 2jna h LEU 56 Cb 0.35 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2jna h LEU 56 CO 0.02 -0.14 -0.24 0.08 -0.34 0.00 0.00 178.44 177.83 2jna h ARG 57 N -0.42 0.00 -0.39 1.25 0.11 -1.58 -1.28 114.38 112.07 2jna h ARG 57 Ca -0.03 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.01 2jna h ARG 57 Cb 0.32 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.38 2jna h ARG 57 CO 0.06 0.24 0.11 0.93 0.10 0.00 0.00 179.97 181.40 2jna h GLU 58 N 0.00 0.57 0.18 0.08 4.39 -1.46 0.15 114.58 118.49 2jna h GLU 58 Ca -0.00 -0.09 -0.33 0.00 0.34 0.00 0.00 59.36 59.28 2jna h GLU 58 Cb 0.47 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2jna h GLU 58 CO 0.03 0.51 -1.58 0.87 -1.16 0.00 0.00 179.01 177.68 2jna h LYS 59 N 0.56 0.38 -0.14 2.33 6.56 -1.26 -3.13 116.57 121.88 2jna h LYS 59 Ca 0.13 -0.66 -0.00 0.00 -1.06 0.00 0.00 60.65 59.06 2jna h LYS 59 Cb 0.19 0.24 -0.01 0.00 -0.57 0.00 0.00 32.23 32.09 2jna h LYS 59 CO -0.01 1.29 0.07 -0.07 -2.06 0.00 0.00 179.45 178.67 2jna h LEU 60 N 0.10 0.17 -1.02 2.94 3.38 -0.76 0.13 115.31 120.26 2jna h LEU 60 Ca -0.28 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 2jna h LEU 60 Cb 2.09 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.77 2jna h LEU 60 CO 0.20 0.22 0.04 0.77 0.09 0.00 0.00 178.44 179.75 2jna h SER 61 N 0.12 0.70 -0.71 -0.43 4.64 -0.88 -0.32 113.55 116.67 2jna h SER 61 Ca 0.05 -0.15 -0.06 0.00 -0.47 0.00 0.00 61.79 61.16 2jna h SER 61 Cb 0.08 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.96 2jna h SER 61 CO -0.01 0.75 0.20 -0.08 -0.87 0.00 0.00 176.83 176.82 2jna h GLU 62 N 0.70 1.12 -0.21 4.77 4.81 -1.40 0.15 114.58 124.53 2jna h GLU 62 Ca 0.14 -0.25 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 2jna h GLU 62 Cb 0.38 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 2jna h GLU 62 CO 0.01 0.97 -0.19 -0.07 -0.73 0.00 0.00 179.01 179.01 2jna h LEU 63 N 1.06 0.53 -1.16 1.64 3.38 -0.59 -1.69 115.31 118.47 2jna h LEU 63 Ca 0.23 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 2jna h LEU 63 Cb 0.34 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2jna h LEU 63 CO -0.00 0.88 0.34 0.00 0.09 0.00 0.00 178.44 179.75 2jna h ALA 64 N 0.66 1.35 -0.46 1.53 0.00 -0.83 -1.54 119.26 119.98 2jna h ALA 64 Ca 0.04 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2jna h ALA 64 Cb 0.73 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2jna h ALA 64 CO 0.05 0.52 -0.11 0.22 0.00 0.00 0.00 179.25 179.92 2jna h ASP 65 N 0.93 0.82 -0.11 0.00 3.58 -0.62 0.14 116.42 121.16 2jna h ASP 65 Ca 0.23 -0.25 -0.09 0.00 0.42 0.00 0.00 57.03 57.34 2jna h ASP 65 Cb 0.06 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 2jna h ASP 65 CO -0.03 0.96 -0.21 0.00 -2.88 0.00 0.00 179.24 177.07 2jna h ALA 66 N 1.12 1.11 0.13 -0.78 0.00 -0.50 -3.17 119.26 117.17 2jna h ALA 66 Ca 0.12 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 2jna h ALA 66 Cb 0.61 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.29 2jna h ALA 66 CO 0.04 0.55 -0.80 0.87 0.00 0.00 0.00 179.25 179.92 2jna h LYS 67 N 0.47 0.26 0.00 0.00 1.79 -1.12 -3.49 116.57 114.48 2jna h LYS 67 Ca 0.07 -0.45 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 2jna h LYS 67 Cb 0.63 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 2jna h LYS 67 CO 0.04 1.22 0.00 0.41 -1.08 0.00 0.00 179.45 180.04 2jna n GLY 68 N 1.67 0.99 3.31 3.86 0.00 0.31 -5.06 105.19 110.28 2jna n GLY 68 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.64 1.34 -0.04 -0.02 0.00 -0.24 -4.99 107.32 101.72 2jna s GLY 69 Ca 0.00 -1.35 -0.20 0.00 0.00 0.00 0.00 44.72 43.17 2jna s GLY 69 CO 0.00 -1.37 0.86 0.50 0.00 0.00 0.00 173.10 173.09 2jna h LYS 70 N 3.78 0.33 -4.84 2.90 1.57 -1.87 -3.40 116.57 115.05 2jna h LYS 70 Ca -0.45 -0.57 -0.41 0.00 -1.87 0.00 0.00 60.65 57.34 2jna h LYS 70 Cb 1.19 0.21 -0.14 0.00 0.08 0.00 0.00 32.23 33.57 2jna h LYS 70 CO 0.43 1.27 -0.54 0.71 -0.57 0.00 0.00 179.45 180.75 2jna s TYR 71 N -2.47 1.58 0.22 -1.35 2.02 -1.21 -5.00 117.35 111.14 2jna s TYR 71 Ca -0.14 -1.48 -0.11 0.00 -0.37 0.00 0.00 57.07 54.97 2jna s TYR 71 Cb 0.02 -0.76 -0.01 0.00 -0.40 0.00 0.00 41.96 40.82 2jna s TYR 71 CO 0.84 -0.67 0.40 1.52 -1.57 0.00 0.00 175.55 176.07 2jna s TYR 72 N -3.64 0.41 -0.05 2.71 1.13 -1.26 -1.90 117.35 114.75 2jna s TYR 72 Ca 0.38 -0.75 0.00 0.00 -1.41 0.00 0.00 57.07 55.28 2jna s TYR 72 Cb 0.04 0.07 0.02 0.00 -1.10 0.00 0.00 41.96 40.99 2jna s TYR 72 CO 0.20 -0.88 -0.02 -1.58 -2.51 0.00 0.00 175.55 170.76 2jna s HIS 73 N -4.01 0.69 -0.06 -3.49 2.46 0.33 -4.23 115.29 106.97 2jna s HIS 73 Ca 0.22 -0.18 -0.30 0.00 0.47 0.00 0.00 55.06 55.26 2jna s HIS 73 Cb 0.01 -0.69 -0.04 0.00 -0.13 0.00 0.00 32.58 31.73 2jna s HIS 73 CO 0.06 -0.24 1.34 0.42 -2.47 0.00 0.00 174.74 173.85 2jna s ILE 74 N 1.31 3.99 -0.16 0.89 1.09 -1.26 -1.52 121.20 125.54 2jna s ILE 74 Ca -0.05 1.30 0.12 0.00 -1.10 0.00 0.00 60.65 60.93 2jna s ILE 74 Cb -0.13 -3.84 -0.18 0.00 -1.06 0.00 0.00 42.46 37.24 2jna s ILE 74 CO -0.02 -0.04 0.03 2.30 -0.10 0.00 0.00 174.94 177.10 2jna n ILE 75 N 4.91 1.06 -3.51 2.92 -5.35 -0.70 -4.98 119.36 113.71 2jna n ILE 75 Ca 0.13 -0.63 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 2jna n ILE 75 Cb 0.45 -0.66 -0.03 0.00 -1.74 0.00 0.00 39.64 37.65 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 -2.37 -2.22 -0.09 -1.28 0.00 -0.97 -5.05 121.76 109.78 2jna s ALA 76 Ca -0.10 2.19 -0.00 0.00 0.00 0.00 0.00 51.96 54.05 2jna s ALA 76 Cb 0.05 -1.91 0.02 0.00 0.00 0.00 0.00 23.12 21.28 2jna s ALA 76 CO 0.61 -1.02 -0.05 0.00 0.00 0.00 0.00 175.76 175.29 2jna s ALA 77 N 2.83 1.04 -0.18 0.00 0.00 -1.26 0.31 121.76 124.50 2jna s ALA 77 Ca -0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 51.96 51.40 2jna s ALA 77 Cb -0.12 -0.76 0.06 0.00 0.00 0.00 0.00 23.12 22.30 2jna s ALA 77 CO -0.19 -0.32 0.58 -0.98 0.00 0.00 0.00 175.76 174.85 2jna s ARG 78 N 1.58 0.74 0.42 0.00 3.03 0.74 -4.99 118.95 120.47 2jna s ARG 78 Ca 0.01 0.66 -0.24 0.00 2.03 0.00 0.00 55.73 58.19 2jna s ARG 78 Cb -0.13 0.36 -0.08 0.00 -1.03 0.00 0.00 34.95 34.07 2jna s ARG 78 CO -0.05 -0.13 1.12 -2.00 -1.13 0.00 0.00 175.30 173.11 2jna s GLU 79 N -0.03 3.99 -0.29 3.89 2.12 -1.26 -1.59 118.70 125.54 2jna s GLU 79 Ca -0.03 1.69 -0.04 0.00 0.36 0.00 0.00 54.97 56.95 2jna s GLU 79 Cb -0.04 -2.53 0.10 0.00 0.26 0.00 0.00 34.13 31.92 2jna s GLU 79 CO 0.02 -0.33 0.13 -1.01 -0.54 0.00 0.00 175.26 173.53 2jna s HIS 80 N -1.55 0.38 0.00 5.30 3.76 0.48 -4.83 115.29 118.82 2jna s HIS 80 Ca 0.60 -0.90 0.00 0.00 -0.15 0.00 0.00 55.06 54.61 2jna s HIS 80 Cb -0.27 -0.93 0.00 0.00 1.11 0.00 0.00 32.58 32.49 2jna s HIS 80 CO 0.33 -0.82 0.00 0.41 -0.85 0.00 0.00 174.74 173.81 2jna n GLY 81 N 5.23 3.85 0.51 -2.22 0.00 -1.26 -1.23 105.19 110.07 2jna n GLY 81 Ca -0.06 -0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 13.80 1.66 -4.46 1.61 -0.04 -1.26 -4.90 135.00 141.41 2jna n PRO 82 Ca 0.00 -1.01 -0.25 0.00 -0.04 0.00 0.00 63.50 62.21 2jna n PRO 82 Cb 0.00 -1.32 -0.10 0.00 -0.04 0.00 0.00 33.50 32.03 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 -1.34 3.59 -0.29 3.54 0.01 -0.37 -0.48 114.94 119.60 2jna s ASN 83 Ca 0.27 -0.99 -0.03 0.00 -0.71 0.00 0.00 52.86 51.41 2jna s ASN 83 Cb 0.14 -0.31 0.04 0.00 0.41 0.00 0.00 41.25 41.53 2jna s ASN 83 CO 0.21 0.05 0.01 0.12 -1.51 0.00 0.00 177.10 175.98 2jna s PHE 84 N -2.35 3.20 -0.40 2.20 5.36 0.13 -0.39 117.98 125.74 2jna s PHE 84 Ca 0.28 -1.66 -0.17 0.00 -0.96 0.00 0.00 56.93 54.43 2jna s PHE 84 Cb -0.06 -2.13 0.01 0.00 -0.34 0.00 0.00 43.02 40.51 2jna s PHE 84 CO 0.14 -0.76 0.44 -1.21 -1.46 0.00 0.00 175.22 172.38 2jna s GLU 85 N 1.31 3.24 -0.19 10.12 0.41 -0.62 -3.67 118.70 129.30 2jna s GLU 85 Ca -0.03 -0.62 0.01 0.00 -0.41 0.00 0.00 54.97 53.92 2jna s GLU 85 Cb -0.19 -3.92 0.04 0.00 -1.78 0.00 0.00 34.13 28.28 2jna s GLU 85 CO -0.01 -0.78 -0.10 0.00 -0.49 0.00 0.00 175.26 173.88 2jna s ALA 86 N 2.18 1.92 -0.21 5.21 0.00 0.43 -0.18 121.76 131.10 2jna s ALA 86 Ca 0.13 -1.13 -0.07 0.00 0.00 0.00 0.00 51.96 50.90 2jna s ALA 86 Cb -0.17 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 2jna s ALA 86 CO 0.14 -0.78 0.05 0.08 0.00 0.00 0.00 175.76 175.25 2jna s VAL 87 N 1.44 4.43 0.01 0.00 1.01 0.15 0.43 120.40 127.87 2jna s VAL 87 Ca -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 2jna s VAL 87 Cb -0.16 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 2jna s VAL 87 CO -0.08 0.40 0.01 0.00 0.00 0.00 0.00 175.10 175.43 2jna s ALA 88 N 1.01 0.02 -0.02 5.51 0.00 -0.40 -1.73 121.76 126.16 2jna s ALA 88 Ca 0.03 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.56 2jna s ALA 88 Cb -0.14 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 2jna s ALA 88 CO 0.03 -0.16 -0.02 -1.21 0.00 0.00 0.00 175.76 174.40 2jna s GLU 89 N -1.33 2.75 -0.06 0.00 2.02 -0.58 -0.33 118.70 121.17 2jna s GLU 89 Ca -0.14 -0.61 -0.13 0.00 0.02 0.00 0.00 54.97 54.11 2jna s GLU 89 Cb -0.09 -2.64 -0.05 0.00 0.10 0.00 0.00 34.13 31.45 2jna s GLU 89 CO -0.00 0.63 0.34 0.08 0.02 0.00 0.00 175.26 176.33 2jna s VAL 90 N -1.02 5.18 -0.02 2.63 1.01 0.66 -0.52 120.40 128.33 2jna s VAL 90 Ca 0.18 0.67 0.02 0.00 0.00 0.00 0.00 61.98 62.85 2jna s VAL 90 Cb -0.11 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2jna s VAL 90 CO 0.08 0.54 -0.07 -0.31 0.00 0.00 0.00 175.10 175.33 2jna s TYR 91 N -0.68 0.76 0.42 5.22 2.02 -0.80 -1.47 117.35 122.83 2jna s TYR 91 Ca 0.21 -0.17 0.05 0.00 -0.37 0.00 0.00 57.07 56.79 2jna s TYR 91 Cb -0.15 -0.54 -0.06 0.00 -0.40 0.00 0.00 41.96 40.81 2jna s TYR 91 CO 0.10 -0.07 0.03 -0.80 -1.57 0.00 0.00 175.55 173.24 2jna s ASN 92 N 0.12 3.56 0.94 2.29 0.01 -0.20 -3.34 114.94 118.32 2jna s ASN 92 Ca -0.01 -1.47 -0.10 0.00 -0.71 0.00 0.00 52.86 50.56 2jna s ASN 92 Cb -0.07 -0.03 0.16 0.00 0.41 0.00 0.00 41.25 41.72 2jna s ASN 92 CO 0.00 -0.62 1.13 -1.81 -1.51 0.00 0.00 177.10 174.28 2jna s ASP 93 N -3.70 2.72 -0.02 -1.22 1.11 -1.26 -0.51 116.67 113.79 2jna s ASP 93 Ca 0.27 2.07 0.03 0.00 0.18 0.00 0.00 52.55 55.10 2jna s ASP 93 Cb 0.07 -2.52 0.13 0.00 1.07 0.00 0.00 42.92 41.66 2jna s ASP 93 CO 0.13 -3.21 0.91 0.00 1.18 0.00 0.00 175.17 174.19 2jna n ALA 94 N -4.29 2.60 -2.73 5.23 0.00 -1.26 -4.29 120.51 115.77 2jna n ALA 94 Ca 0.10 -0.27 -0.20 0.00 0.00 0.00 0.00 53.44 53.07 2jna n ALA 94 Cb 0.52 -1.01 -0.15 0.00 0.00 0.00 0.00 19.45 18.82 2jna n ALA 94 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2jna s THR 95 N -1.58 0.82 -0.11 0.00 -1.32 -1.26 -5.05 115.64 107.14 2jna s THR 95 Ca 0.09 -0.43 0.02 0.00 -1.21 0.00 0.00 61.69 60.15 2jna s THR 95 Cb 0.06 -0.70 0.01 0.00 -1.51 0.00 0.00 72.50 70.36 2jna s THR 95 CO 0.04 0.24 -0.16 -0.54 -2.21 0.00 0.00 174.62 171.99 2jna s LYS 96 N -0.15 2.28 0.00 7.08 3.01 -1.26 -5.00 119.74 125.70 2jna s LYS 96 Ca 0.02 -0.58 0.00 0.00 -1.01 0.00 0.00 55.97 54.40 2jna s LYS 96 Cb -0.05 -1.94 0.00 0.00 -1.01 0.00 0.00 37.83 34.83 2jna s LYS 96 CO -0.00 -0.07 0.35 1.28 0.51 0.00 0.00 175.35 177.41 2jna n LEU 97 N 4.22 0.04 -4.42 3.17 4.77 -1.26 -4.93 117.00 118.59 2jna n LEU 97 Ca -0.19 -0.04 -0.44 0.00 -0.03 0.00 0.00 56.01 55.31 2jna n LEU 97 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2jna n LEU 97 CO 0.24 0.01 1.40 -1.84 -1.33 0.00 0.00 177.39 175.87 2jna n GLU 98 N -0.01 3.40 -2.03 3.23 0.00 -1.26 -4.99 120.64 118.98 2jna n GLU 98 Ca 0.00 -3.87 -0.42 0.00 0.00 0.00 0.00 57.16 52.87 2jna n GLU 98 Cb 0.41 -3.00 -0.03 0.00 0.00 0.00 0.00 31.44 28.82 2jna n GLU 98 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.13 173.75 2jna s HIS 99 N 1.28 2.43 0.30 -1.84 -3.43 -1.26 -4.98 115.29 107.80 2jna s HIS 99 Ca 0.42 0.43 0.03 0.00 -0.80 0.00 0.00 55.06 55.14 2jna s HIS 99 Cb -0.02 -3.87 -0.01 0.00 -1.43 0.00 0.00 32.58 27.25 2jna s HIS 99 CO -0.00 -3.46 0.34 -2.39 -2.00 0.00 0.00 174.74 167.23 2jna n HIS 100 N 5.92 -1.01 -1.69 0.38 1.44 -1.26 -5.12 115.22 113.87 2jna n HIS 100 Ca 0.15 -2.30 -0.44 0.00 -2.01 0.00 0.00 57.72 53.12 2jna n HIS 100 Cb 0.42 0.37 -0.03 0.00 0.12 0.00 0.00 29.99 30.87 2jna n HIS 100 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2jna n HIS 101 N -0.54 2.36 -2.27 -1.40 -0.00 -1.26 -4.86 115.22 107.25 2jna n HIS 101 Ca 0.04 0.33 -0.34 0.00 -0.00 0.00 0.00 57.72 57.74 2jna n HIS 101 Cb 0.53 -2.52 -0.04 0.00 -0.00 0.00 0.00 29.99 27.96 2jna n HIS 101 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jna s HIS 102 N 0.31 2.28 0.29 1.57 2.46 -1.26 -4.95 115.29 116.00 2jna s HIS 102 Ca 0.71 -0.36 -0.26 0.00 0.47 0.00 0.00 55.06 55.61 2jna s HIS 102 Cb -0.62 -4.30 -0.10 0.00 -0.13 0.00 0.00 32.58 27.43 2jna s HIS 102 CO 0.45 -1.45 0.92 -1.58 -2.47 0.00 0.00 174.74 170.61 2jna s HIS 103 N 8.30 3.76 -2.43 3.88 5.04 -1.26 -5.37 115.29 127.22 2jna s HIS 103 Ca 0.62 1.78 0.19 0.00 -1.54 0.00 0.00 55.06 56.12 2jna s HIS 103 Cb 0.01 -2.91 0.15 0.00 0.04 0.00 0.00 32.58 29.87 2jna s HIS 103 CO 0.11 0.28 1.11 -2.39 -2.34 0.00 0.00 174.74 171.51