#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jna h LYS 2 N 0.00 0.20 -5.24 0.03 2.10 -2.15 -3.42 116.57 108.09 2jna h LYS 2 Ca 0.00 -0.30 -0.66 0.00 -2.00 0.00 0.00 60.65 57.70 2jna h LYS 2 Cb 0.00 0.10 -0.16 0.00 -0.90 0.00 0.00 32.23 31.27 2jna h LYS 2 CO 0.00 1.10 0.27 0.21 -2.00 0.00 0.00 179.45 179.03 2jna s LYS 3 N -2.84 3.17 -0.13 0.07 2.20 -1.26 -5.00 119.74 115.95 2jna s LYS 3 Ca -0.03 -0.77 -0.03 0.00 -0.36 0.00 0.00 55.97 54.79 2jna s LYS 3 Cb 0.09 -4.13 -0.03 0.00 -1.51 0.00 0.00 37.83 32.25 2jna s LYS 3 CO 0.85 -1.43 -0.03 1.03 -0.36 0.00 0.00 175.35 175.41 2jna s ARG 4 N 3.21 3.37 0.47 4.03 3.00 -1.26 -5.11 118.95 126.66 2jna s ARG 4 Ca 0.20 -0.50 -0.21 0.00 0.00 0.00 0.00 55.73 55.21 2jna s ARG 4 Cb -0.18 -2.83 -0.08 0.00 0.00 0.00 0.00 34.95 31.86 2jna s ARG 4 CO 0.13 0.42 1.08 0.96 0.00 0.00 0.00 175.30 177.88 2jna s ILE 5 N -0.11 3.54 -0.98 1.52 -4.36 -1.26 -4.88 121.20 114.67 2jna s ILE 5 Ca 0.03 1.04 -0.19 0.00 -0.26 0.00 0.00 60.65 61.27 2jna s ILE 5 Cb -0.13 -3.46 -0.10 0.00 1.25 0.00 0.00 42.46 40.02 2jna s ILE 5 CO 0.02 -0.13 2.04 2.30 0.24 0.00 0.00 174.94 179.41 2jna n ILE 6 N -0.76 2.35 -2.73 8.37 -0.00 -1.26 -4.84 119.36 120.49 2jna n ILE 6 Ca 0.08 -1.98 -0.42 0.00 -0.00 0.00 0.00 62.75 60.43 2jna n ILE 6 Cb 0.51 -2.39 -0.03 0.00 -0.00 0.00 0.00 39.64 37.73 2jna n ILE 6 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2jna s ALA 7 N 4.36 3.00 -2.00 -1.28 0.00 -1.26 -4.83 121.76 119.75 2jna s ALA 7 Ca 0.54 -2.34 0.16 0.00 0.00 0.00 0.00 51.96 50.31 2jna s ALA 7 Cb 0.14 -4.26 0.94 0.00 0.00 0.00 0.00 23.12 19.94 2jna s ALA 7 CO 0.05 -3.27 1.44 0.00 0.00 0.00 0.00 175.76 173.97 2jna n ALA 8 N 7.93 2.34 -1.94 0.00 0.00 -1.26 -4.74 120.51 122.84 2jna n ALA 8 Ca 0.24 -0.10 -0.41 0.00 0.00 0.00 0.00 53.44 53.17 2jna n ALA 8 Cb 0.50 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 2jna n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jna s ALA 9 N -2.00 2.58 -0.18 0.00 0.00 -1.26 -4.93 121.76 115.97 2jna s ALA 9 Ca 0.24 0.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.22 2jna s ALA 9 Cb 0.11 -4.12 0.08 0.00 0.00 0.00 0.00 23.12 19.20 2jna s ALA 9 CO 0.18 -3.11 0.22 -1.17 0.00 0.00 0.00 175.76 171.88 2jna s LEU 10 N 7.99 -0.12 -0.03 0.00 0.20 -1.26 -5.14 118.68 120.32 2jna s LEU 10 Ca 0.80 -0.08 -0.05 0.00 0.69 0.00 0.00 54.13 55.49 2jna s LEU 10 Cb -0.20 0.40 0.01 0.00 -0.43 0.00 0.00 46.19 45.96 2jna s LEU 10 CO 0.30 -0.31 0.12 -1.48 -0.29 0.00 0.00 176.35 174.69 2jna s LEU 11 N 2.33 1.58 -0.22 -0.68 0.05 -1.26 -5.02 118.68 115.46 2jna s LEU 11 Ca 0.06 0.10 -0.11 0.00 0.05 0.00 0.00 54.13 54.24 2jna s LEU 11 Cb -0.15 0.45 0.02 0.00 -2.05 0.00 0.00 46.19 44.46 2jna s LEU 11 CO -0.11 -0.13 0.22 0.00 -0.55 0.00 0.00 176.35 175.78 2jna n ALA 12 N 2.60 -2.54 -2.87 1.48 0.00 -1.26 -4.85 120.51 113.07 2jna n ALA 12 Ca -0.15 0.34 -0.44 0.00 0.00 0.00 0.00 53.44 53.19 2jna n ALA 12 Cb 0.58 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.45 4.70 -1.17 0.00 2.01 -1.26 -4.90 115.64 113.57 2jna s THR 13 Ca 0.12 -1.82 -0.07 0.00 0.31 0.00 0.00 61.69 60.22 2jna s THR 13 Cb -0.02 -4.87 0.24 0.00 0.01 0.00 0.00 72.50 67.86 2jna s THR 13 CO 0.47 -1.61 1.58 0.52 -0.69 0.00 0.00 174.62 174.89 2jna n VAL 14 N 5.44 4.81 -3.15 3.82 0.31 -1.26 -4.80 118.33 123.49 2jna n VAL 14 Ca 0.30 -5.22 0.06 0.00 -0.01 0.00 0.00 64.34 59.47 2jna n VAL 14 Cb 0.47 -2.27 -0.01 0.00 -0.91 0.00 0.00 33.84 31.12 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 -1.09 -4.07 -0.72 3.52 0.00 -1.26 -5.11 121.76 113.02 2jna s ALA 15 Ca 0.35 1.35 -0.26 0.00 0.00 0.00 0.00 51.96 53.39 2jna s ALA 15 Cb 0.04 -2.73 0.04 0.00 0.00 0.00 0.00 23.12 20.47 2jna s ALA 15 CO 0.04 -1.78 1.23 -1.12 0.00 0.00 0.00 175.76 174.14 2jna s SER 16 N 2.98 6.17 -0.05 0.00 0.01 -1.26 -4.97 113.70 116.58 2jna s SER 16 Ca 0.08 -0.51 0.02 0.00 1.31 0.00 0.00 55.95 56.85 2jna s SER 16 Cb -0.05 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.66 2jna s SER 16 CO -0.14 -1.77 -0.08 0.12 0.41 0.00 0.00 173.24 171.78 2jna s PHE 17 N 5.48 1.03 -0.84 2.43 5.36 -1.26 -4.84 117.98 125.33 2jna s PHE 17 Ca 0.33 -0.33 -0.03 0.00 -0.96 0.00 0.00 56.93 55.95 2jna s PHE 17 Cb -0.09 -0.81 -0.01 0.00 -0.34 0.00 0.00 43.02 41.76 2jna s PHE 17 CO 0.15 -0.21 0.74 0.43 -1.46 0.00 0.00 175.22 174.87 2jna n SER 18 N 3.86 -7.06 -3.79 6.13 7.64 -1.26 -4.87 113.62 114.28 2jna n SER 18 Ca -0.24 -0.37 -0.42 0.00 1.01 0.00 0.00 58.87 58.85 2jna n SER 18 Cb 0.51 -4.75 0.00 0.00 -1.01 0.00 0.00 64.21 58.97 2jna n SER 18 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2jna n THR 19 N -2.35 3.98 -3.16 0.44 -2.24 -1.26 -4.64 114.28 105.05 2jna n THR 19 Ca -0.06 -3.77 -0.01 0.00 -2.27 0.00 0.00 64.05 57.94 2jna n THR 19 Cb 0.55 -2.46 -0.01 0.00 -2.10 0.00 0.00 70.33 66.31 2jna n THR 19 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2jna s LEU 20 N 0.82 -1.40 -0.35 3.22 2.34 -1.26 -5.03 118.68 117.02 2jna s LEU 20 Ca 0.44 -0.99 0.04 0.00 0.06 0.00 0.00 54.13 53.68 2jna s LEU 20 Cb 0.12 1.84 0.24 0.00 -0.56 0.00 0.00 46.19 47.83 2jna s LEU 20 CO -0.04 -0.16 1.24 0.00 -1.06 0.00 0.00 176.35 176.33 2jna n ALA 21 N 4.19 -2.12 -2.67 1.48 0.00 -1.26 -5.04 120.51 115.09 2jna n ALA 21 Ca 0.12 -0.64 -0.04 0.00 0.00 0.00 0.00 53.44 52.88 2jna n ALA 21 Cb 0.56 -1.92 0.09 0.00 0.00 0.00 0.00 19.45 18.18 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 0.00 -3.28 -3.71 0.00 0.00 -1.26 -5.14 120.51 107.12 2jna n ALA 22 Ca -0.12 -0.41 -0.29 0.00 0.00 0.00 0.00 53.44 52.62 2jna n ALA 22 Cb 0.72 -3.07 -0.16 0.00 0.00 0.00 0.00 19.45 16.94 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 0.11 0.64 0.00 0.00 8.01 -1.26 -5.10 118.70 121.10 2jna s GLU 23 Ca 0.24 -0.74 0.00 0.00 0.01 0.00 0.00 54.97 54.48 2jna s GLU 23 Cb 0.24 -1.93 0.00 0.00 -4.31 0.00 0.00 34.13 28.12 2jna s GLU 23 CO -0.13 -0.85 0.00 0.94 0.01 0.00 0.00 175.26 175.23 2jna n GLN 24 N 4.98 0.00 -4.77 1.61 0.00 -1.26 -4.82 117.38 113.12 2jna n GLN 24 Ca -0.05 0.00 -0.24 0.00 -0.00 0.00 0.00 57.00 56.71 2jna n GLN 24 Cb 0.44 0.00 -0.15 0.00 0.00 0.00 0.00 30.24 30.53 2jna n GLN 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 2jna s VAL 25 N -2.00 1.28 0.00 1.69 -7.23 -1.26 -5.06 120.40 107.81 2jna s VAL 25 Ca 0.00 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.48 2jna s VAL 25 Cb 0.00 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 35.87 2jna s VAL 25 CO 0.00 0.36 0.00 -1.54 -0.31 0.00 0.00 175.10 173.61 2jna n SER 26 N 2.71 0.00 0.00 4.85 3.41 -1.26 -4.64 113.62 118.69 2jna n SER 26 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2jna n SER 26 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2jna n SER 26 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2jna n LYS 27 N 0.00 0.00 -0.06 4.33 3.00 -1.26 -4.77 118.16 119.40 2jna n LYS 27 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 2jna n LYS 27 Cb 0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 35.03 34.61 2jna n LYS 27 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 2jna h GLN 28 N 0.00 0.30 -0.41 1.64 7.50 -2.00 -3.07 115.11 119.07 2jna h GLN 28 Ca 0.00 -0.08 0.06 0.00 0.50 0.00 0.00 58.65 59.14 2jna h GLN 28 Cb 0.42 -0.04 -0.05 0.00 0.05 0.00 0.00 27.48 27.85 2jna h GLN 28 CO 0.00 0.45 0.09 0.93 -1.50 0.00 0.00 178.83 178.80 2jna h GLU 29 N 0.10 0.22 -0.23 1.46 3.07 -1.96 0.21 114.58 117.45 2jna h GLU 29 Ca 0.06 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.93 2jna h GLU 29 Cb 0.29 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.12 2jna h GLU 29 CO 0.00 0.15 0.07 0.82 -1.40 0.00 0.00 179.01 178.65 2jna h ILE 30 N 0.23 0.94 -0.08 3.13 2.04 -1.85 0.16 117.51 122.08 2jna h ILE 30 Ca 0.20 -0.06 -0.16 0.00 1.00 0.00 0.00 64.86 65.83 2jna h ILE 30 Cb 0.23 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2jna h ILE 30 CO -0.25 0.03 -0.67 0.28 0.00 0.00 0.00 178.15 177.54 2jna h SER 31 N 0.18 0.37 0.58 1.72 0.02 -1.37 -1.48 113.55 113.57 2jna h SER 31 Ca 0.10 -0.23 -0.28 0.00 -0.84 0.00 0.00 61.79 60.54 2jna h SER 31 Cb 0.07 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 2jna h SER 31 CO -0.11 0.93 -1.36 -0.74 -1.14 0.00 0.00 176.83 174.42 2jna h HIS 32 N 0.23 0.44 -0.01 3.45 -0.00 -0.26 -3.33 115.15 115.67 2jna h HIS 32 Ca -0.02 -0.32 0.00 0.00 -0.00 0.00 0.00 60.37 60.03 2jna h HIS 32 Cb 1.21 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.60 2jna h HIS 32 CO 0.03 1.30 -0.74 1.19 -0.00 0.00 0.00 177.93 179.71 2jna n PHE 33 N -3.48 0.00 -3.00 5.26 3.72 0.54 -5.02 117.46 115.49 2jna n PHE 33 Ca -0.11 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.28 2jna n PHE 33 Cb 1.03 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.57 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 -0.96 -1.32 -2.07 -1.08 4.76 -0.58 -4.94 118.16 111.98 2jna n LYS 34 Ca 0.05 1.49 -0.29 0.00 -2.87 0.00 0.00 58.31 56.69 2jna n LYS 34 Cb 0.35 -5.61 0.03 0.00 -1.84 0.00 0.00 35.03 27.95 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 -3.87 3.12 -0.46 -0.35 1.43 -1.06 -4.83 118.68 112.65 2jna s LEU 35 Ca 0.01 1.08 -0.21 0.00 -1.03 0.00 0.00 54.13 53.98 2jna s LEU 35 Cb -0.00 -3.95 0.03 0.00 0.03 0.00 0.00 46.19 42.30 2jna s LEU 35 CO 0.72 -1.10 0.67 -0.69 0.23 0.00 0.00 176.35 176.18 2jna s VAL 36 N -3.18 4.79 -0.59 -1.59 1.01 -1.19 -4.96 120.40 114.69 2jna s VAL 36 Ca 0.55 0.01 -0.27 0.00 0.00 0.00 0.00 61.98 62.27 2jna s VAL 36 Cb -0.11 -4.26 0.03 0.00 0.00 0.00 0.00 36.38 32.05 2jna s VAL 36 CO 0.50 -0.69 1.14 -0.75 0.00 0.00 0.00 175.10 175.30 2jna s LYS 37 N 2.89 3.43 0.27 2.72 2.20 -1.26 -0.63 119.74 129.36 2jna s LYS 37 Ca 0.22 0.05 0.22 0.00 -0.36 0.00 0.00 55.97 56.10 2jna s LYS 37 Cb -0.15 -4.05 0.10 0.00 -1.51 0.00 0.00 37.83 32.22 2jna s LYS 37 CO 0.18 -1.70 1.22 -0.39 -0.36 0.00 0.00 175.35 174.30 2jna h VAL 38 N 6.11 0.05 0.00 4.02 -1.51 -1.69 -3.49 116.25 119.73 2jna h VAL 38 Ca -0.26 -1.08 0.00 0.00 -1.23 0.00 0.00 66.70 64.14 2jna h VAL 38 Cb 1.06 1.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.92 2jna h VAL 38 CO 1.18 0.03 0.00 0.61 -1.23 0.00 0.00 177.57 178.15 2jna n GLY 39 N 1.17 -0.22 2.99 5.19 0.00 -1.22 -5.01 105.19 108.10 2jna n GLY 39 Ca 0.01 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.90 0.33 0.04 2.61 2.01 -1.26 -0.61 115.64 114.85 2jna s THR 40 Ca 0.00 -0.65 0.06 0.00 0.31 0.00 0.00 61.69 61.41 2jna s THR 40 Cb 0.00 -0.37 -0.02 0.00 0.01 0.00 0.00 72.50 72.12 2jna s THR 40 CO 0.00 -0.22 -0.17 0.27 -0.69 0.00 0.00 174.62 173.81 2jna s ILE 41 N -0.86 1.33 -0.02 1.82 -4.36 0.64 -4.90 121.20 114.86 2jna s ILE 41 Ca -0.07 -1.05 0.05 0.00 -0.26 0.00 0.00 60.65 59.33 2jna s ILE 41 Cb -0.06 -1.18 -0.01 0.00 1.25 0.00 0.00 42.46 42.46 2jna s ILE 41 CO -0.00 0.11 -0.18 0.20 0.24 0.00 0.00 174.94 175.31 2jna s ASN 42 N -1.09 2.15 -0.41 4.36 -0.87 -1.26 -1.71 114.94 116.10 2jna s ASN 42 Ca 0.04 -0.34 -0.17 0.00 -1.57 0.00 0.00 52.86 50.83 2jna s ASN 42 Cb -0.08 -0.35 0.02 0.00 -0.02 0.00 0.00 41.25 40.82 2jna s ASN 42 CO 0.01 0.20 0.40 -0.69 -2.57 0.00 0.00 177.10 174.46 2jna s VAL 43 N -0.29 5.13 -0.42 1.60 1.01 0.10 -4.95 120.40 122.58 2jna s VAL 43 Ca 0.04 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.67 2jna s VAL 43 Cb -0.08 -4.00 0.21 0.00 0.00 0.00 0.00 36.38 32.50 2jna s VAL 43 CO 0.00 -0.38 0.45 -1.54 0.00 0.00 0.00 175.10 173.63 2jna n SER 44 N 5.48 0.11 -4.27 3.32 3.41 -1.24 -0.77 113.62 119.66 2jna n SER 44 Ca -0.08 -2.59 -0.15 0.00 -0.26 0.00 0.00 58.87 55.79 2jna n SER 44 Cb 0.47 -0.60 -0.10 0.00 -0.26 0.00 0.00 64.21 63.72 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 -0.67 1.23 0.82 4.33 1.11 -1.15 -4.96 119.66 120.37 2jna s GLN 45 Ca 0.34 -1.62 -0.11 0.00 0.01 0.00 0.00 55.36 53.97 2jna s GLN 45 Cb 0.10 -0.27 0.08 0.00 -1.01 0.00 0.00 33.01 31.91 2jna s GLN 45 CO -0.15 -0.19 1.10 0.45 0.01 0.00 0.00 175.29 176.50 2jna s SER 46 N -3.23 4.29 0.00 5.90 0.15 -1.26 -0.52 113.70 119.03 2jna s SER 46 Ca 0.29 1.36 0.08 0.00 0.70 0.00 0.00 55.95 58.38 2jna s SER 46 Cb 0.07 -2.08 0.46 0.00 -1.71 0.00 0.00 66.02 62.75 2jna s SER 46 CO 0.08 -2.10 0.92 0.61 1.20 0.00 0.00 173.24 173.94 2jna n GLY 47 N -1.87 -0.50 0.44 9.45 0.00 -0.17 -1.27 105.19 111.27 2jna n GLY 47 Ca 0.07 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.15 2jna n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jna n GLY 48 N 0.00 -0.08 0.00 -0.02 0.00 -1.26 -4.27 105.19 99.57 2jna n GLY 48 Ca 0.06 -0.63 0.06 0.00 0.00 0.00 0.00 46.02 45.51 2jna n GLY 48 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jna n GLN 49 N -0.18 1.46 -3.93 1.61 6.02 -0.39 -4.86 117.38 117.10 2jna n GLN 49 Ca 0.09 -0.07 -0.30 0.00 -0.01 0.00 0.00 57.00 56.71 2jna n GLN 49 Cb 0.45 -1.21 -0.15 0.00 1.02 0.00 0.00 30.24 30.35 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 -2.58 1.58 -0.24 5.09 -1.09 -1.20 -4.89 121.20 117.87 2jna s ILE 50 Ca -0.01 -1.39 -0.01 0.00 -2.23 0.00 0.00 60.65 57.01 2jna s ILE 50 Cb 0.09 -1.91 -0.15 0.00 -1.58 0.00 0.00 42.46 38.91 2jna s ILE 50 CO 0.52 -0.22 -0.24 -1.20 -1.23 0.00 0.00 174.94 172.57 2jna n SER 51 N 4.63 2.07 -4.22 3.58 7.64 -1.26 -4.78 113.62 121.29 2jna n SER 51 Ca -0.09 -0.04 -0.13 0.00 1.01 0.00 0.00 58.87 59.62 2jna n SER 51 Cb 0.43 -0.45 -0.10 0.00 -1.01 0.00 0.00 64.21 63.08 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 -6.52 0.36 0.36 6.43 1.04 -1.26 -5.00 113.70 109.12 2jna s SER 52 Ca -0.33 -1.37 0.05 0.00 0.48 0.00 0.00 55.95 54.78 2jna s SER 52 Cb 0.09 0.33 0.72 0.00 0.10 0.00 0.00 66.02 67.27 2jna s SER 52 CO 0.53 -0.81 1.99 -0.65 0.98 0.00 0.00 173.24 175.28 2jna h PRO 53 N 2.60 0.74 -0.38 4.02 0.11 -1.98 0.27 132.00 137.38 2jna h PRO 53 Ca -0.36 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.66 2jna h PRO 53 Cb 1.24 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2jna h PRO 53 CO 0.55 0.49 0.08 0.66 -0.21 0.00 0.00 178.00 179.58 2jna h SER 54 N 0.76 0.59 0.28 -2.05 4.64 -1.99 -1.83 113.55 113.95 2jna h SER 54 Ca 0.27 -0.24 -0.07 0.00 -0.47 0.00 0.00 61.79 61.28 2jna h SER 54 Cb 0.12 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2jna h SER 54 CO -0.08 0.68 -0.33 -0.78 -0.87 0.00 0.00 176.83 175.45 2jna h ASP 55 N 0.48 0.07 0.10 4.97 3.58 -1.72 -1.32 116.42 122.57 2jna h ASP 55 Ca 0.12 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 2jna h ASP 55 Cb 0.32 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2jna h ASP 55 CO 0.00 0.40 -0.05 0.25 -2.88 0.00 0.00 179.24 176.96 2jna h LEU 56 N 0.06 -0.11 -1.40 2.28 5.85 -0.21 -2.93 115.31 118.85 2jna h LEU 56 Ca 0.01 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 2jna h LEU 56 Cb 0.61 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2jna h LEU 56 CO 0.04 0.09 -0.24 0.08 -0.34 0.00 0.00 178.44 178.07 2jna h ARG 57 N -0.31 0.00 -0.32 1.25 -0.00 -1.10 -2.71 114.38 111.20 2jna h ARG 57 Ca -0.01 0.00 0.07 0.00 -0.00 0.00 0.00 59.98 60.04 2jna h ARG 57 Cb 0.26 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 30.15 2jna h ARG 57 CO 0.02 0.24 -0.17 0.93 -0.00 0.00 0.00 179.97 181.00 2jna h GLU 58 N 0.00 -0.12 -0.34 0.08 4.39 -1.06 0.42 114.58 117.96 2jna h GLU 58 Ca -0.00 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 2jna h GLU 58 Cb 0.61 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 2jna h GLU 58 CO 0.03 -0.08 0.06 0.87 -1.16 0.00 0.00 179.01 178.74 2jna h LYS 59 N -0.12 0.55 -0.17 2.33 6.56 -1.40 -1.30 116.57 123.03 2jna h LYS 59 Ca 0.17 -0.14 -0.16 0.00 -1.06 0.00 0.00 60.65 59.45 2jna h LYS 59 Cb 0.37 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 31.96 2jna h LYS 59 CO -0.40 0.63 -0.57 -0.07 -2.06 0.00 0.00 179.45 176.98 2jna h LEU 60 N 0.39 0.60 -0.48 2.94 3.38 -1.40 -0.25 115.31 120.50 2jna h LEU 60 Ca 0.10 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2jna h LEU 60 Cb 0.34 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2jna h LEU 60 CO 0.01 1.04 0.21 -1.28 0.09 0.00 0.00 178.44 178.50 2jna h SER 61 N 0.41 0.65 -0.74 -0.43 0.87 -0.07 0.22 113.55 114.46 2jna h SER 61 Ca 0.00 -0.16 -0.05 0.00 -1.23 0.00 0.00 61.79 60.36 2jna h SER 61 Cb 1.11 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.87 2jna h SER 61 CO 0.11 0.63 0.28 -0.08 -0.53 0.00 0.00 176.83 177.24 2jna h GLU 62 N 0.63 1.11 -0.31 2.24 4.57 -1.03 -1.40 114.58 120.40 2jna h GLU 62 Ca 0.16 -0.21 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 2jna h GLU 62 Cb 0.17 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 2jna h GLU 62 CO -0.02 0.92 -0.03 -0.07 -1.18 0.00 0.00 179.01 178.64 2jna h LEU 63 N 1.07 0.56 -0.27 1.64 3.38 -0.70 -2.07 115.31 118.94 2jna h LEU 63 Ca 0.24 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2jna h LEU 63 Cb 0.23 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2jna h LEU 63 CO -0.02 0.76 0.17 0.00 0.09 0.00 0.00 178.44 179.44 2jna h ALA 64 N 0.82 0.33 -0.96 1.53 0.00 -0.37 0.12 119.26 120.74 2jna h ALA 64 Ca 0.08 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2jna h ALA 64 Cb 0.49 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 2jna h ALA 64 CO 0.02 -0.21 0.62 0.22 0.00 0.00 0.00 179.25 179.90 2jna h ASP 65 N 0.34 1.02 1.11 0.00 3.58 -1.23 0.16 116.42 121.39 2jna h ASP 65 Ca 0.10 -0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.46 2jna h ASP 65 Cb -0.02 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.79 2jna h ASP 65 CO -0.03 0.68 -0.40 0.00 -2.88 0.00 0.00 179.24 176.61 2jna h ALA 66 N 1.41 0.87 0.05 -0.78 0.00 -0.81 -3.27 119.26 116.72 2jna h ALA 66 Ca 0.39 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 2jna h ALA 66 Cb 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2jna h ALA 66 CO -0.14 0.50 -0.78 0.87 0.00 0.00 0.00 179.25 179.70 2jna h LYS 67 N 0.00 0.11 0.00 0.00 1.79 -0.36 -3.49 116.57 114.62 2jna h LYS 67 Ca -0.00 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 2jna h LYS 67 Cb 1.06 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 2jna h LYS 67 CO 0.05 1.09 0.00 0.41 -1.08 0.00 0.00 179.45 179.92 2jna n GLY 68 N 1.61 1.09 3.22 3.86 0.00 0.34 -5.10 105.19 110.20 2jna n GLY 68 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.44 1.00 0.00 -0.02 0.00 -0.00 -4.84 107.32 102.02 2jna s GLY 69 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.25 2jna s GLY 69 CO 0.00 -1.52 0.00 0.28 0.00 0.00 0.00 173.10 171.86 2jna n LYS 70 N -0.15 0.00 -3.34 2.90 5.02 -1.24 -3.60 118.16 117.74 2jna n LYS 70 Ca -0.10 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.93 2jna n LYS 70 Cb 0.61 -0.24 -0.02 0.00 -0.02 0.00 0.00 35.03 35.36 2jna n LYS 70 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2jna s TYR 71 N -0.83 3.49 -0.10 2.13 2.02 -0.66 -4.90 117.35 118.51 2jna s TYR 71 Ca 0.00 0.50 -0.06 0.00 -0.37 0.00 0.00 57.07 57.14 2jna s TYR 71 Cb 0.00 -2.01 0.04 0.00 -0.40 0.00 0.00 41.96 39.59 2jna s TYR 71 CO 0.00 0.14 0.24 1.52 -1.57 0.00 0.00 175.55 175.88 2jna s TYR 72 N -2.21 -0.30 -0.28 2.71 -0.85 -1.26 -0.07 117.35 115.09 2jna s TYR 72 Ca 0.42 0.72 -0.10 0.00 -0.52 0.00 0.00 57.07 57.59 2jna s TYR 72 Cb -0.10 0.06 -0.03 0.00 0.38 0.00 0.00 41.96 42.26 2jna s TYR 72 CO 0.33 -0.19 0.15 -1.58 -1.52 0.00 0.00 175.55 172.74 2jna s HIS 73 N 0.84 3.17 -0.09 -3.49 2.46 0.24 -4.85 115.29 113.57 2jna s HIS 73 Ca -0.06 -0.17 -0.30 0.00 0.47 0.00 0.00 55.06 55.00 2jna s HIS 73 Cb -0.07 -2.34 -0.02 0.00 -0.13 0.00 0.00 32.58 30.02 2jna s HIS 73 CO -0.05 -0.28 1.14 0.42 -2.47 0.00 0.00 174.74 173.50 2jna s ILE 74 N 1.69 4.44 -0.04 0.89 1.09 -1.26 -1.65 121.20 126.36 2jna s ILE 74 Ca 0.06 1.74 0.15 0.00 -1.10 0.00 0.00 60.65 61.51 2jna s ILE 74 Cb -0.16 -4.12 -0.23 0.00 -1.06 0.00 0.00 42.46 36.89 2jna s ILE 74 CO 0.08 -0.02 0.29 2.30 -0.10 0.00 0.00 174.94 177.48 2jna n ILE 75 N 4.70 0.17 -3.71 2.92 -5.35 -0.40 -4.99 119.36 112.70 2jna n ILE 75 Ca 0.11 -0.39 -0.12 0.00 -0.27 0.00 0.00 62.75 62.07 2jna n ILE 75 Cb 0.47 0.02 -0.10 0.00 -1.74 0.00 0.00 39.64 38.29 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 -2.94 -1.14 -0.22 -1.28 0.00 -1.07 -5.01 121.76 110.11 2jna s ALA 76 Ca -0.06 1.43 -0.04 0.00 0.00 0.00 0.00 51.96 53.30 2jna s ALA 76 Cb 0.09 -0.85 0.11 0.00 0.00 0.00 0.00 23.12 22.48 2jna s ALA 76 CO 0.63 -0.24 0.32 0.00 0.00 0.00 0.00 175.76 176.47 2jna s ALA 77 N 0.73 -0.79 0.29 0.00 0.00 -1.26 0.25 121.76 120.97 2jna s ALA 77 Ca -0.04 0.74 -0.08 0.00 0.00 0.00 0.00 51.96 52.58 2jna s ALA 77 Cb -0.05 -1.49 -0.00 0.00 0.00 0.00 0.00 23.12 21.58 2jna s ALA 77 CO -0.05 -1.16 0.46 -0.98 0.00 0.00 0.00 175.76 174.03 2jna s ARG 78 N 2.47 1.69 0.06 0.00 1.70 0.12 -5.00 118.95 119.99 2jna s ARG 78 Ca 0.09 -1.48 0.02 0.00 -0.47 0.00 0.00 55.73 53.89 2jna s ARG 78 Cb -0.15 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.64 2jna s ARG 78 CO -0.14 -0.70 0.09 -1.83 -1.08 0.00 0.00 175.30 171.64 2jna s GLU 79 N -3.57 2.97 -0.04 3.89 1.03 -1.26 -0.32 118.70 121.39 2jna s GLU 79 Ca 0.26 -0.62 0.21 0.00 0.03 0.00 0.00 54.97 54.85 2jna s GLU 79 Cb -0.00 -2.78 -0.32 0.00 -0.80 0.00 0.00 34.13 30.23 2jna s GLU 79 CO 0.14 0.59 0.44 1.58 -1.33 0.00 0.00 175.26 176.68 2jna n HIS 80 N 0.64 0.00 0.00 4.83 -0.00 0.34 -4.83 115.22 116.21 2jna n HIS 80 Ca -0.09 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.09 2jna n HIS 80 Cb 0.52 -0.50 0.00 0.00 -0.12 0.00 0.00 29.99 29.89 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 1.34 0.55 0.22 1.57 0.00 -1.26 -4.78 105.19 102.83 2jna n GLY 81 Ca -0.05 -0.18 0.15 0.00 0.00 0.00 0.00 46.02 45.93 2jna n GLY 81 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jna h PRO 82 N 0.00 0.00 -6.23 1.61 0.11 -1.97 -3.45 132.00 122.07 2jna h PRO 82 Ca 0.00 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.52 2jna h PRO 82 Cb 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 30.99 2jna h PRO 82 CO 0.00 0.00 -0.71 -0.80 -0.21 0.00 0.00 178.00 176.28 2jna s ASN 83 N -5.55 4.06 -0.05 -2.05 0.01 -1.26 -1.00 114.94 109.10 2jna s ASN 83 Ca 0.04 -0.83 0.04 0.00 -0.71 0.00 0.00 52.86 51.41 2jna s ASN 83 Cb 0.08 -0.57 -0.02 0.00 0.41 0.00 0.00 41.25 41.14 2jna s ASN 83 CO 0.57 0.03 -0.17 0.12 -1.51 0.00 0.00 177.10 176.13 2jna s PHE 84 N -2.37 2.62 -0.18 2.20 5.36 0.32 -0.50 117.98 125.44 2jna s PHE 84 Ca 0.30 -0.32 0.01 0.00 -0.96 0.00 0.00 56.93 55.96 2jna s PHE 84 Cb -0.06 -1.63 0.03 0.00 -0.34 0.00 0.00 43.02 41.02 2jna s PHE 84 CO 0.17 0.06 -0.13 -1.21 -1.46 0.00 0.00 175.22 172.65 2jna s GLU 85 N -0.52 2.23 -0.01 10.12 2.02 0.56 -2.93 118.70 130.17 2jna s GLU 85 Ca 0.07 -0.72 0.04 0.00 0.02 0.00 0.00 54.97 54.38 2jna s GLU 85 Cb -0.11 -2.29 -0.01 0.00 0.10 0.00 0.00 34.13 31.81 2jna s GLU 85 CO 0.01 -0.33 -0.14 0.00 0.02 0.00 0.00 175.26 174.82 2jna s ALA 86 N 1.42 1.19 -0.19 5.21 0.00 0.05 -0.70 121.76 128.74 2jna s ALA 86 Ca 0.02 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.38 2jna s ALA 86 Cb -0.14 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.68 2jna s ALA 86 CO -0.10 0.28 -0.17 0.08 0.00 0.00 0.00 175.76 175.85 2jna s VAL 87 N -0.28 2.26 -0.01 0.00 1.01 0.14 0.00 120.40 123.52 2jna s VAL 87 Ca 0.04 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.13 2jna s VAL 87 Cb -0.06 -1.99 -0.00 0.00 0.00 0.00 0.00 36.38 34.33 2jna s VAL 87 CO -0.00 0.49 -0.05 0.00 0.00 0.00 0.00 175.10 175.54 2jna s ALA 88 N 1.31 0.46 -0.10 5.51 0.00 -0.69 -1.28 121.76 126.97 2jna s ALA 88 Ca 0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 51.96 51.76 2jna s ALA 88 Cb -0.14 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2jna s ALA 88 CO -0.11 0.10 0.06 -1.21 0.00 0.00 0.00 175.76 174.59 2jna s GLU 89 N -0.00 3.21 -0.13 0.00 2.02 -0.66 -0.26 118.70 122.88 2jna s GLU 89 Ca 0.01 -0.29 -0.11 0.00 0.02 0.00 0.00 54.97 54.59 2jna s GLU 89 Cb -0.04 -2.97 -0.05 0.00 0.10 0.00 0.00 34.13 31.18 2jna s GLU 89 CO -0.00 0.71 0.24 0.08 0.02 0.00 0.00 175.26 176.31 2jna s VAL 90 N -0.88 5.34 -0.01 2.63 1.01 0.22 -0.59 120.40 128.10 2jna s VAL 90 Ca 0.13 0.43 0.04 0.00 0.00 0.00 0.00 61.98 62.59 2jna s VAL 90 Cb -0.12 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 2jna s VAL 90 CO 0.03 0.50 -0.12 -0.31 0.00 0.00 0.00 175.10 175.20 2jna s TYR 91 N -0.28 1.13 0.53 5.22 1.51 0.90 -1.68 117.35 124.69 2jna s TYR 91 Ca 0.16 -0.23 0.08 0.00 -1.01 0.00 0.00 57.07 56.07 2jna s TYR 91 Cb -0.13 -0.74 0.08 0.00 -0.11 0.00 0.00 41.96 41.06 2jna s TYR 91 CO 0.05 -0.04 0.69 0.09 -1.11 0.00 0.00 175.55 175.23 2jna n ASN 92 N 2.87 2.05 -3.47 2.29 3.02 0.20 -1.65 115.26 120.58 2jna n ASN 92 Ca -0.15 -2.47 0.00 0.00 -0.03 0.00 0.00 54.58 51.93 2jna n ASN 92 Cb 0.55 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 2jna n ASN 92 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2jna n ASP 93 N -2.31 0.00 -0.58 6.41 9.92 -1.26 -3.49 116.55 125.25 2jna n ASP 93 Ca 0.13 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.40 2jna n ASP 93 Cb 0.56 0.00 0.06 0.00 -0.64 0.00 0.00 41.12 41.10 2jna n ASP 93 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jna n ALA 94 N -3.00 2.65 -3.00 2.24 0.00 -1.26 -3.17 120.51 114.97 2jna n ALA 94 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2jna n ALA 94 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 0.03 0.00 0.00 0.00 5.66 -1.26 -5.01 114.28 113.70 2jna n THR 95 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 2jna n THR 95 Cb 0.31 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.09 2jna n THR 95 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2jna n LYS 96 N 0.00 1.47 -0.35 1.09 2.85 -1.26 -4.82 118.16 117.14 2jna n LYS 96 Ca 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.25 2jna n LYS 96 Cb 0.00 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.37 2jna n LYS 96 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2jna n LEU 97 N 0.00 3.47 -0.06 -5.58 4.77 -1.26 -4.15 117.00 114.19 2jna n LEU 97 Ca 0.00 -1.62 -0.04 0.00 -0.03 0.00 0.00 56.01 54.32 2jna n LEU 97 Cb 0.00 -0.75 -0.01 0.00 -2.33 0.00 0.00 43.42 40.33 2jna n LEU 97 CO 0.00 0.68 -0.30 1.21 -1.33 0.00 0.00 177.39 177.65 2jna n GLU 98 N 1.76 0.40 0.00 3.23 2.13 -1.26 -4.94 120.64 121.95 2jna n GLU 98 Ca 0.02 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.34 2jna n GLU 98 Cb 0.35 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.47 2jna n GLU 98 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2jna n HIS 99 N -4.34 0.00 -1.70 4.31 -0.00 -1.26 -4.88 115.22 107.35 2jna n HIS 99 Ca -0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.62 2jna n HIS 99 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.22 2jna n HIS 99 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jna n HIS 100 N 0.00 -0.26 -2.56 1.57 -0.00 -1.26 -4.80 115.22 107.91 2jna n HIS 100 Ca 0.00 0.11 -0.43 0.00 -0.00 0.00 0.00 57.72 57.40 2jna n HIS 100 Cb 0.00 -0.48 -0.02 0.00 -0.00 0.00 0.00 29.99 29.49 2jna n HIS 100 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jna s HIS 101 N -0.45 3.24 0.32 1.57 2.46 -1.26 -5.01 115.29 116.16 2jna s HIS 101 Ca 0.04 1.33 -0.27 0.00 0.47 0.00 0.00 55.06 56.62 2jna s HIS 101 Cb -0.00 -3.34 -0.09 0.00 -0.13 0.00 0.00 32.58 29.01 2jna s HIS 101 CO 0.08 -0.92 1.06 -1.01 -2.47 0.00 0.00 174.74 171.49 2jna s HIS 102 N 2.63 3.49 0.07 3.88 3.76 -1.26 -5.02 115.29 122.84 2jna s HIS 102 Ca 0.51 1.70 -0.23 0.00 -0.15 0.00 0.00 55.06 56.89 2jna s HIS 102 Cb -0.20 -3.19 -0.06 0.00 1.11 0.00 0.00 32.58 30.24 2jna s HIS 102 CO 0.16 -0.48 0.69 -1.01 -0.85 0.00 0.00 174.74 173.25 2jna s HIS 103 N -1.37 3.78 -1.42 1.40 3.76 -1.26 -5.32 115.29 114.86 2jna s HIS 103 Ca 0.49 1.41 0.11 0.00 -0.15 0.00 0.00 55.06 56.93 2jna s HIS 103 Cb -0.27 -2.70 0.09 0.00 1.11 0.00 0.00 32.58 30.81 2jna s HIS 103 CO 0.35 0.41 0.86 1.58 -0.85 0.00 0.00 174.74 177.09