#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 0.41 -1.00 0.03 1.02 -1.26 -5.09 119.74 113.85 2jna s LYS 2 Ca 0.00 0.11 -0.22 0.00 0.02 0.00 0.00 55.97 55.88 2jna s LYS 2 Cb 0.00 -0.69 0.06 0.00 -0.52 0.00 0.00 37.83 36.68 2jna s LYS 2 CO 0.00 -0.21 1.39 -1.59 -0.92 0.00 0.00 175.35 174.02 2jna s LYS 3 N 1.50 3.59 -0.99 1.68 0.00 -1.26 -4.86 119.74 119.40 2jna s LYS 3 Ca -0.03 -1.22 -0.08 0.00 0.00 0.00 0.00 55.97 54.64 2jna s LYS 3 Cb -0.13 -5.28 -0.11 0.00 0.00 0.00 0.00 37.83 32.31 2jna s LYS 3 CO -0.03 -2.14 3.11 2.89 0.00 0.00 0.00 175.35 179.18 2jna n ARG 4 N 8.50 3.17 -0.16 1.78 0.00 -1.26 -4.91 116.66 123.77 2jna n ARG 4 Ca 0.31 -1.96 -0.03 0.00 -0.00 0.00 0.00 57.85 56.17 2jna n ARG 4 Cb 0.51 -2.48 0.02 0.00 -0.00 0.00 0.00 32.46 30.50 2jna n ARG 4 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2jna n ILE 5 N 2.85 0.00 -3.80 8.89 -5.35 -1.26 -5.10 119.36 115.59 2jna n ILE 5 Ca 0.64 -0.08 -0.15 0.00 -0.27 0.00 0.00 62.75 62.88 2jna n ILE 5 Cb 0.48 -1.95 -0.16 0.00 -1.74 0.00 0.00 39.64 36.27 2jna n ILE 5 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 2jna s ILE 6 N -1.25 -0.03 -0.01 7.28 2.07 -1.26 -4.99 121.20 123.01 2jna s ILE 6 Ca 0.06 0.18 0.01 0.00 -1.41 0.00 0.00 60.65 59.50 2jna s ILE 6 Cb -0.00 -0.09 0.02 0.00 0.13 0.00 0.00 42.46 42.51 2jna s ILE 6 CO 0.05 0.09 0.94 0.00 -1.91 0.00 0.00 174.94 174.10 2jna n ALA 7 N 4.08 1.88 -2.71 1.50 0.00 -1.26 -5.08 120.51 118.92 2jna n ALA 7 Ca -0.26 -1.03 -0.36 0.00 0.00 0.00 0.00 53.44 51.79 2jna n ALA 7 Cb 0.51 -0.42 -0.06 0.00 0.00 0.00 0.00 19.45 19.48 2jna n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jna s ALA 8 N -0.19 3.81 -0.35 0.00 0.00 -1.26 -5.07 121.76 118.70 2jna s ALA 8 Ca 0.02 -0.48 -0.01 0.00 0.00 0.00 0.00 51.96 51.49 2jna s ALA 8 Cb 0.02 -2.14 0.12 0.00 0.00 0.00 0.00 23.12 21.12 2jna s ALA 8 CO 0.00 0.59 0.17 0.00 0.00 0.00 0.00 175.76 176.53 2jna s ALA 9 N -1.20 1.24 -0.15 0.00 0.00 -1.26 -5.09 121.76 115.30 2jna s ALA 9 Ca 0.24 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.42 2jna s ALA 9 Cb -0.14 -1.62 0.02 0.00 0.00 0.00 0.00 23.12 21.38 2jna s ALA 9 CO 0.13 -1.90 -0.18 -1.17 0.00 0.00 0.00 175.76 172.64 2jna s LEU 10 N 1.28 1.91 -0.26 0.00 2.96 -1.26 -5.10 118.68 118.22 2jna s LEU 10 Ca 0.14 -0.55 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 2jna s LEU 10 Cb -0.20 -1.31 0.06 0.00 0.50 0.00 0.00 46.19 45.24 2jna s LEU 10 CO -0.14 0.01 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.58 2jna s LEU 11 N 1.16 3.46 0.00 -0.68 2.96 -1.26 -5.09 118.68 119.23 2jna s LEU 11 Ca -0.00 -1.35 0.06 0.00 -0.22 0.00 0.00 54.13 52.61 2jna s LEU 11 Cb -0.14 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 2jna s LEU 11 CO -0.07 -0.19 0.21 0.00 -1.32 0.00 0.00 176.35 174.97 2jna n ALA 12 N 4.47 0.54 -3.46 5.97 0.00 -1.26 -5.15 120.51 121.62 2jna n ALA 12 Ca -0.14 -1.51 -0.18 0.00 0.00 0.00 0.00 53.44 51.60 2jna n ALA 12 Cb 0.43 1.20 -0.12 0.00 0.00 0.00 0.00 19.45 20.96 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 -3.01 -0.34 0.00 0.00 2.01 -1.26 -5.15 115.64 107.89 2jna s THR 13 Ca 0.29 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.04 2jna s THR 13 Cb 0.01 -0.78 0.00 0.00 0.01 0.00 0.00 72.50 71.74 2jna s THR 13 CO 0.21 -0.30 0.00 1.33 -0.69 0.00 0.00 174.62 175.17 2jna n VAL 14 N 5.32 0.00 -0.80 3.82 0.24 -1.26 -5.12 118.33 120.52 2jna n VAL 14 Ca -0.05 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.36 2jna n VAL 14 Cb 0.48 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.82 2jna n VAL 14 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jna n ALA 15 N -3.00 -2.08 0.00 2.33 0.00 -1.26 -5.03 120.51 111.47 2jna n ALA 15 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2jna n ALA 15 Cb 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2jna n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jna n SER 16 N -3.43 0.00 -4.12 0.00 2.88 -1.26 -5.06 113.62 102.63 2jna n SER 16 Ca -0.02 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.18 2jna n SER 16 Cb 0.37 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.70 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 -0.97 3.42 0.00 0.66 0.08 -1.26 -4.92 117.98 114.99 2jna s PHE 17 Ca 0.00 -2.23 0.00 0.00 0.12 0.00 0.00 56.93 54.82 2jna s PHE 17 Cb 0.00 -2.48 0.00 0.00 -0.57 0.00 0.00 43.02 39.97 2jna s PHE 17 CO 0.00 -0.88 0.00 0.43 -0.10 0.00 0.00 175.22 174.67 2jna n SER 18 N 4.54 0.00 0.00 1.36 7.64 -1.26 -5.04 113.62 120.86 2jna n SER 18 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2jna n SER 18 Cb 0.42 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 -1.31 0.00 -2.69 0.44 -2.24 -1.26 -4.54 114.28 102.67 2jna n THR 19 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 2jna n THR 19 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 2jna n THR 19 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2jna s LEU 20 N 0.00 4.17 0.18 3.22 2.01 -1.26 -4.88 118.68 122.12 2jna s LEU 20 Ca 0.00 -2.44 -0.24 0.00 0.01 0.00 0.00 54.13 51.46 2jna s LEU 20 Cb 0.00 -2.52 0.05 0.00 0.01 0.00 0.00 46.19 43.73 2jna s LEU 20 CO 0.00 -1.10 0.82 0.00 1.01 0.00 0.00 176.35 177.08 2jna s ALA 21 N 3.56 -1.52 0.07 4.21 0.00 -1.26 -5.13 121.76 121.69 2jna s ALA 21 Ca 0.49 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.58 2jna s ALA 21 Cb 0.01 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.85 2jna s ALA 21 CO 0.03 -0.96 0.00 0.00 0.00 0.00 0.00 175.76 174.83 2jna n ALA 22 N -0.43 -2.62 -3.06 0.00 0.00 -1.26 -5.12 120.51 108.02 2jna n ALA 22 Ca -0.07 0.19 -0.14 0.00 0.00 0.00 0.00 53.44 53.42 2jna n ALA 22 Cb 0.61 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 2jna n ALA 22 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2jna s GLU 23 N -1.92 2.04 0.00 0.00 2.56 -1.26 -5.15 118.70 114.97 2jna s GLU 23 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 54.97 53.21 2jna s GLU 23 Cb 0.00 0.48 0.00 0.00 2.00 0.00 0.00 34.13 36.61 2jna s GLU 23 CO 0.00 -0.87 0.00 0.94 -0.56 0.00 0.00 175.26 174.77 2jna n GLN 24 N -0.59 0.00 -4.43 4.30 0.00 -1.26 -4.99 117.38 110.40 2jna n GLN 24 Ca -0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 57.00 56.71 2jna n GLN 24 Cb 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.77 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 -1.74 1.81 0.37 1.69 -7.23 -1.26 -5.04 120.40 109.00 2jna s VAL 25 Ca 0.00 -1.85 0.04 0.00 -1.81 0.00 0.00 61.98 58.36 2jna s VAL 25 Cb 0.00 -2.66 0.07 0.00 0.56 0.00 0.00 36.38 34.34 2jna s VAL 25 CO 0.00 0.00 0.51 -1.54 -0.31 0.00 0.00 175.10 173.76 2jna n SER 26 N -1.22 1.13 0.26 4.85 3.41 -1.26 -4.82 113.62 115.98 2jna n SER 26 Ca -0.08 -1.85 0.16 0.00 -0.26 0.00 0.00 58.87 56.85 2jna n SER 26 Cb 0.66 -0.29 0.61 0.00 -0.26 0.00 0.00 64.21 64.94 2jna n SER 26 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2jna h LYS 27 N 0.00 0.00 -0.24 4.33 3.11 -2.01 -3.07 116.57 118.68 2jna h LYS 27 Ca -0.17 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.63 2jna h LYS 27 Cb 0.74 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.96 2jna h LYS 27 CO 0.22 0.00 -0.01 1.96 -2.81 0.00 0.00 179.45 178.81 2jna h GLN 28 N 0.00 0.44 -0.35 1.90 7.50 -1.99 -1.62 115.11 120.99 2jna h GLN 28 Ca 0.00 -0.15 -0.05 0.00 0.50 0.00 0.00 58.65 58.96 2jna h GLN 28 Cb 0.57 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 28.05 2jna h GLN 28 CO 0.00 0.63 0.03 0.93 -1.50 0.00 0.00 178.83 178.92 2jna h GLU 29 N 0.21 0.59 -0.56 1.46 3.07 -1.93 -2.05 114.58 115.36 2jna h GLU 29 Ca 0.07 -0.17 0.09 0.00 -0.50 0.00 0.00 59.36 58.85 2jna h GLU 29 Cb 0.44 -0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 28.22 2jna h GLU 29 CO 0.02 0.68 0.17 0.82 -1.40 0.00 0.00 179.01 179.30 2jna h ILE 30 N 0.41 0.75 -0.40 3.13 2.04 -1.47 0.12 117.51 122.09 2jna h ILE 30 Ca 0.10 -0.11 -0.13 0.00 1.00 0.00 0.00 64.86 65.72 2jna h ILE 30 Cb 0.40 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2jna h ILE 30 CO 0.01 0.06 -0.27 0.28 0.00 0.00 0.00 178.15 178.24 2jna h SER 31 N 0.33 0.87 0.12 1.72 0.02 -1.16 -0.47 113.55 114.99 2jna h SER 31 Ca 0.28 -0.34 -0.18 0.00 -0.84 0.00 0.00 61.79 60.71 2jna h SER 31 Cb 0.36 -0.24 0.02 0.00 0.14 0.00 0.00 62.40 62.67 2jna h SER 31 CO -0.31 1.08 -0.82 0.45 -1.14 0.00 0.00 176.83 176.09 2jna h HIS 32 N 0.72 0.48 0.00 3.45 3.86 -0.83 -3.36 115.15 119.46 2jna h HIS 32 Ca 0.09 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 58.95 2jna h HIS 32 Cb 0.81 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.26 2jna h HIS 32 CO 0.05 1.32 -1.32 1.19 0.86 0.00 0.00 177.93 180.03 2jna n PHE 33 N -4.15 0.66 -2.73 2.45 3.72 0.38 -4.93 117.46 112.86 2jna n PHE 33 Ca -0.15 0.19 -0.05 0.00 -0.05 0.00 0.00 57.45 57.39 2jna n PHE 33 Cb 0.80 -0.81 0.01 0.00 -0.94 0.00 0.00 39.48 38.54 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 -2.53 -2.52 -2.21 -1.08 4.76 -0.18 -4.85 118.16 109.54 2jna n LYS 34 Ca -0.01 2.20 -0.26 0.00 -2.87 0.00 0.00 58.31 57.36 2jna n LYS 34 Cb 0.55 -5.33 0.10 0.00 -1.84 0.00 0.00 35.03 28.52 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 -2.24 2.82 -0.22 -0.35 1.43 -1.24 -4.78 118.68 114.10 2jna s LEU 35 Ca 0.17 0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 53.38 2jna s LEU 35 Cb -0.05 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 2jna s LEU 35 CO 0.72 -1.92 0.33 -0.69 0.23 0.00 0.00 176.35 175.02 2jna s VAL 36 N -3.38 5.24 -0.34 -1.59 1.01 -1.15 -4.96 120.40 115.22 2jna s VAL 36 Ca 0.65 0.56 -0.25 0.00 0.00 0.00 0.00 61.98 62.93 2jna s VAL 36 Cb -0.08 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.64 2jna s VAL 36 CO 0.47 0.27 0.89 -0.75 0.00 0.00 0.00 175.10 175.98 2jna s LYS 37 N 1.30 3.90 0.00 2.72 2.47 -1.26 -0.40 119.74 128.47 2jna s LYS 37 Ca 0.16 0.62 0.25 0.00 -1.56 0.00 0.00 55.97 55.44 2jna s LYS 37 Cb -0.14 -3.77 0.46 0.00 -1.46 0.00 0.00 37.83 32.91 2jna s LYS 37 CO 0.07 -0.85 1.39 1.33 0.16 0.00 0.00 175.35 177.45 2jna n VAL 38 N 5.81 0.00 0.00 4.02 0.24 -0.85 -4.96 118.33 122.59 2jna n VAL 38 Ca 0.06 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 2jna n VAL 38 Cb 0.48 0.83 0.00 0.00 -1.47 0.00 0.00 33.84 33.68 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 1.35 3.37 3.83 7.63 0.00 -1.19 -5.01 105.19 115.17 2jna n GLY 39 Ca 0.12 -1.85 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.50 4.46 -0.08 2.61 2.01 -1.26 -2.50 115.64 118.37 2jna s THR 40 Ca 0.00 1.36 0.03 0.00 0.31 0.00 0.00 61.69 63.39 2jna s THR 40 Cb 0.00 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 2jna s THR 40 CO 0.00 -0.32 -0.18 0.27 -0.69 0.00 0.00 174.62 173.70 2jna s ILE 41 N -2.17 2.68 -0.19 1.82 -4.36 -0.08 -4.92 121.20 113.98 2jna s ILE 41 Ca 0.60 -0.83 0.01 0.00 -0.26 0.00 0.00 60.65 60.17 2jna s ILE 41 Cb -0.09 -2.06 0.04 0.00 1.25 0.00 0.00 42.46 41.60 2jna s ILE 41 CO 0.15 0.56 -0.12 0.21 0.24 0.00 0.00 174.94 175.98 2jna s ASN 42 N -0.09 3.23 -0.34 4.36 3.84 -1.26 -1.49 114.94 123.19 2jna s ASN 42 Ca -0.04 -0.79 -0.06 0.00 0.21 0.00 0.00 52.86 52.18 2jna s ASN 42 Cb -0.14 -1.23 0.04 0.00 -0.55 0.00 0.00 41.25 39.37 2jna s ASN 42 CO 0.04 -0.12 0.11 -0.69 -2.79 0.00 0.00 177.10 173.65 2jna s VAL 43 N 1.41 3.74 -0.85 -5.21 1.01 0.27 -4.95 120.40 115.82 2jna s VAL 43 Ca 0.00 -1.18 -0.18 0.00 0.00 0.00 0.00 61.98 60.62 2jna s VAL 43 Cb -0.15 -3.14 0.14 0.00 0.00 0.00 0.00 36.38 33.23 2jna s VAL 43 CO -0.09 -0.20 0.98 -0.94 0.00 0.00 0.00 175.10 174.85 2jna s SER 44 N 1.44 6.57 0.06 3.32 1.04 -1.26 -0.84 113.70 124.03 2jna s SER 44 Ca -0.01 -2.05 -0.04 0.00 0.48 0.00 0.00 55.95 54.32 2jna s SER 44 Cb -0.20 -2.34 -0.05 0.00 0.10 0.00 0.00 66.02 63.53 2jna s SER 44 CO 0.02 -0.98 0.29 -1.58 0.98 0.00 0.00 173.24 171.97 2jna s GLN 45 N 2.20 3.55 0.21 4.02 2.00 0.11 -4.93 119.66 126.82 2jna s GLN 45 Ca 0.26 -0.18 -0.01 0.00 -2.00 0.00 0.00 55.36 53.44 2jna s GLN 45 Cb -0.09 -3.00 -0.04 0.00 0.80 0.00 0.00 33.01 30.68 2jna s GLN 45 CO -0.06 0.58 0.39 0.45 -0.50 0.00 0.00 175.29 176.16 2jna s SER 46 N -2.14 6.38 -1.12 6.67 0.15 -1.26 -0.20 113.70 122.19 2jna s SER 46 Ca 0.34 0.39 -0.23 0.00 0.70 0.00 0.00 55.95 57.15 2jna s SER 46 Cb -0.13 -2.01 -0.10 0.00 -1.71 0.00 0.00 66.02 62.08 2jna s SER 46 CO 0.22 -0.05 1.93 0.61 1.20 0.00 0.00 173.24 177.15 2jna n GLY 47 N -0.70 1.28 0.00 9.45 0.00 -0.32 -3.15 105.19 111.75 2jna n GLY 47 Ca -0.05 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 5.57 0.05 0.15 -0.02 0.00 -1.26 -4.96 105.19 104.72 2jna n GLY 48 Ca 0.46 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.49 2jna n GLY 48 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2jna h GLN 49 N 0.00 0.00 -4.73 1.61 4.20 -1.97 -3.41 115.11 110.81 2jna h GLN 49 Ca 0.00 0.00 -0.69 0.00 0.06 0.00 0.00 58.65 58.02 2jna h GLN 49 Cb 0.00 0.00 -0.31 0.00 0.30 0.00 0.00 27.48 27.47 2jna h GLN 49 CO 0.00 0.35 -0.66 0.42 -0.67 0.00 0.00 178.83 178.27 2jna s ILE 50 N -3.03 3.30 -0.18 2.54 -1.09 -1.26 -4.86 121.20 116.63 2jna s ILE 50 Ca 0.04 -1.30 -0.05 0.00 -2.23 0.00 0.00 60.65 57.10 2jna s ILE 50 Cb 0.07 -2.89 -0.09 0.00 -1.58 0.00 0.00 42.46 37.97 2jna s ILE 50 CO 0.74 -0.15 -0.20 -0.24 -1.23 0.00 0.00 174.94 173.86 2jna n SER 51 N 4.69 1.85 -4.44 3.58 2.88 -1.26 -4.96 113.62 115.97 2jna n SER 51 Ca -0.13 0.09 -0.21 0.00 -1.33 0.00 0.00 58.87 57.29 2jna n SER 51 Cb 0.44 -0.42 -0.10 0.00 -0.75 0.00 0.00 64.21 63.37 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 -6.21 2.71 0.58 -3.46 0.01 -1.26 -5.02 113.70 101.05 2jna s SER 52 Ca -0.24 -1.23 0.28 0.00 1.31 0.00 0.00 55.95 56.07 2jna s SER 52 Cb 0.08 -0.16 1.54 0.00 0.21 0.00 0.00 66.02 67.70 2jna s SER 52 CO 0.34 -0.40 2.00 1.55 0.41 0.00 0.00 173.24 177.15 2jna h PRO 53 N 2.23 0.00 -0.07 12.44 0.13 -2.00 -1.33 132.00 143.41 2jna h PRO 53 Ca -0.40 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.76 2jna h PRO 53 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 2jna h PRO 53 CO 0.68 0.00 -0.14 0.77 -0.23 0.00 0.00 178.00 179.08 2jna h SER 54 N 0.00 -0.42 -0.79 1.44 0.02 -2.00 -0.79 113.55 111.01 2jna h SER 54 Ca 0.16 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.20 2jna h SER 54 Cb 0.84 0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.53 2jna h SER 54 CO -0.00 -0.19 0.52 0.44 -1.14 0.00 0.00 176.83 176.46 2jna h ASP 55 N -0.20 0.89 -0.31 3.07 3.32 -1.59 -2.30 116.42 119.30 2jna h ASP 55 Ca 0.07 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2jna h ASP 55 Cb 0.30 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2jna h ASP 55 CO -0.19 0.64 0.17 0.25 -1.72 0.00 0.00 179.24 178.39 2jna h LEU 56 N 1.05 0.39 -0.58 1.55 5.85 -1.36 -1.33 115.31 120.88 2jna h LEU 56 Ca 0.30 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.96 2jna h LEU 56 Cb -0.09 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 2jna h LEU 56 CO -0.08 0.36 0.36 -0.09 -0.34 0.00 0.00 178.44 178.65 2jna h ARG 57 N 0.39 0.68 -0.40 1.25 2.43 -0.83 -0.59 114.38 117.32 2jna h ARG 57 Ca 0.11 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2jna h ARG 57 Cb 0.05 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 2jna h ARG 57 CO -0.02 0.45 0.20 0.93 -1.51 0.00 0.00 179.97 180.02 2jna h GLU 58 N 0.70 0.58 -0.37 0.20 4.39 -1.10 -0.13 114.58 118.84 2jna h GLU 58 Ca 0.24 -0.08 -0.11 0.00 0.34 0.00 0.00 59.36 59.75 2jna h GLU 58 Cb 0.02 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 2jna h GLU 58 CO -0.10 0.50 -0.20 0.87 -1.16 0.00 0.00 179.01 178.92 2jna h LYS 59 N 0.51 0.72 -0.34 2.33 1.79 -0.88 0.14 116.57 120.84 2jna h LYS 59 Ca 0.14 -0.27 -0.09 0.00 -2.18 0.00 0.00 60.65 58.24 2jna h LYS 59 Cb 0.11 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 2jna h LYS 59 CO -0.02 0.86 -0.16 -0.07 -1.08 0.00 0.00 179.45 178.99 2jna h LEU 60 N 0.63 0.73 -1.12 2.94 3.38 -0.90 -2.91 115.31 118.06 2jna h LEU 60 Ca 0.09 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 2jna h LEU 60 Cb 0.68 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2jna h LEU 60 CO 0.05 0.97 -0.41 0.28 0.09 0.00 0.00 178.44 179.41 2jna h SER 61 N 0.48 0.05 -0.40 -0.43 0.02 -0.79 -0.62 113.55 111.87 2jna h SER 61 Ca 0.08 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2jna h SER 61 Cb 0.69 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 2jna h SER 61 CO 0.05 0.47 0.20 -0.08 -1.14 0.00 0.00 176.83 176.33 2jna h GLU 62 N 0.05 0.40 -0.06 3.45 4.81 -0.55 0.18 114.58 122.86 2jna h GLU 62 Ca 0.00 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 58.99 2jna h GLU 62 Cb 0.76 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.05 2jna h GLU 62 CO 0.06 0.26 -0.85 -0.07 -0.73 0.00 0.00 179.01 177.68 2jna h LEU 63 N 0.41 0.66 -1.31 1.64 3.38 -1.32 -3.21 115.31 115.56 2jna h LEU 63 Ca 0.17 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 2jna h LEU 63 Cb 0.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2jna h LEU 63 CO -0.12 1.25 -0.13 0.00 0.09 0.00 0.00 178.44 179.54 2jna h ALA 64 N 0.72 1.43 -0.82 1.53 0.00 -0.74 -2.31 119.26 119.08 2jna h ALA 64 Ca -0.06 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jna h ALA 64 Cb 1.47 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 2jna h ALA 64 CO 0.16 0.40 0.53 0.22 0.00 0.00 0.00 179.25 180.55 2jna h ASP 65 N 0.29 0.96 1.58 0.00 1.82 -0.65 -0.11 116.42 120.31 2jna h ASP 65 Ca 0.06 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 2jna h ASP 65 Cb 0.41 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.18 2jna h ASP 65 CO 0.02 0.71 0.00 0.00 -1.61 0.00 0.00 179.24 178.36 2jna h ALA 66 N 1.29 1.00 0.00 -0.78 0.00 -1.53 -2.90 119.26 116.34 2jna h ALA 66 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2jna h ALA 66 Cb -0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2jna h ALA 66 CO -0.06 0.00 -0.72 0.87 0.00 0.00 0.00 179.25 179.33 2jna h LYS 67 N 0.00 0.00 -5.84 0.00 1.79 -0.82 -3.48 116.57 108.22 2jna h LYS 67 Ca 0.00 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.10 2jna h LYS 67 Cb 0.79 0.00 0.12 0.00 -1.58 0.00 0.00 32.23 31.56 2jna h LYS 67 CO 0.00 0.00 -0.78 0.41 -1.08 0.00 0.00 179.45 178.00 2jna n GLY 68 N 1.33 -0.35 3.97 3.86 0.00 -0.13 -4.98 105.19 108.90 2jna n GLY 68 Ca 0.03 0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.26 1.81 -0.27 -0.02 0.00 -1.07 -4.90 107.32 98.62 2jna s GLY 69 Ca 0.06 -1.37 -0.10 0.00 0.00 0.00 0.00 44.72 43.32 2jna s GLY 69 CO 0.76 -1.03 -0.32 1.17 0.00 0.00 0.00 173.10 173.68 2jna n LYS 70 N -2.45 0.61 -4.02 2.90 3.00 -0.04 -4.95 118.16 113.21 2jna n LYS 70 Ca 0.09 0.23 -0.13 0.00 -0.00 0.00 0.00 58.31 58.51 2jna n LYS 70 Cb 0.60 -1.50 -0.03 0.00 0.00 0.00 0.00 35.03 34.10 2jna n LYS 70 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 2jna s TYR 71 N -2.51 0.77 -0.06 5.64 1.13 -0.97 -4.79 117.35 116.55 2jna s TYR 71 Ca -0.38 -1.11 -0.02 0.00 -1.41 0.00 0.00 57.07 54.15 2jna s TYR 71 Cb 0.13 0.14 0.04 0.00 -1.10 0.00 0.00 41.96 41.17 2jna s TYR 71 CO 0.52 -1.20 0.12 1.52 -2.51 0.00 0.00 175.55 174.01 2jna s TYR 72 N -3.06 -0.12 -0.46 -3.49 1.13 -1.26 -2.60 117.35 107.49 2jna s TYR 72 Ca 0.26 0.45 -0.09 0.00 -1.41 0.00 0.00 57.07 56.28 2jna s TYR 72 Cb -0.01 -0.20 0.11 0.00 -1.10 0.00 0.00 41.96 40.76 2jna s TYR 72 CO 0.17 -0.19 0.33 -1.58 -2.51 0.00 0.00 175.55 171.77 2jna s HIS 73 N 1.59 3.40 -0.13 -3.49 2.46 0.93 -4.86 115.29 115.21 2jna s HIS 73 Ca -0.04 -1.79 -0.29 0.00 0.47 0.00 0.00 55.06 53.41 2jna s HIS 73 Cb -0.12 -3.40 -0.03 0.00 -0.13 0.00 0.00 32.58 28.90 2jna s HIS 73 CO -0.05 -0.97 1.39 0.42 -2.47 0.00 0.00 174.74 173.07 2jna s ILE 74 N 1.38 4.04 -0.16 0.89 1.01 -1.26 -0.68 121.20 126.43 2jna s ILE 74 Ca 0.05 1.26 0.06 0.00 0.00 0.00 0.00 60.65 62.02 2jna s ILE 74 Cb -0.26 -3.82 -0.23 0.00 0.01 0.00 0.00 42.46 38.17 2jna s ILE 74 CO -0.00 -0.11 0.21 2.30 0.00 0.00 0.00 174.94 177.34 2jna n ILE 75 N 5.39 1.58 -3.47 2.92 -5.35 -0.63 -4.90 119.36 114.90 2jna n ILE 75 Ca 0.15 -0.71 -0.15 0.00 -0.27 0.00 0.00 62.75 61.76 2jna n ILE 75 Cb 0.44 -1.20 -0.12 0.00 -1.74 0.00 0.00 39.64 37.03 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 -2.54 -0.52 -0.75 -1.28 0.00 -1.01 -5.05 121.76 110.61 2jna s ALA 76 Ca -0.19 0.49 -0.06 0.00 0.00 0.00 0.00 51.96 52.20 2jna s ALA 76 Cb 0.07 -1.39 0.19 0.00 0.00 0.00 0.00 23.12 22.00 2jna s ALA 76 CO 0.75 -1.17 0.62 0.00 0.00 0.00 0.00 175.76 175.96 2jna s ALA 77 N 2.39 3.88 -0.25 0.00 0.00 -1.26 -0.32 121.76 126.20 2jna s ALA 77 Ca 0.08 -3.40 -0.15 0.00 0.00 0.00 0.00 51.96 48.50 2jna s ALA 77 Cb -0.15 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 2jna s ALA 77 CO -0.13 -2.18 0.36 -0.98 0.00 0.00 0.00 175.76 172.83 2jna s ARG 78 N -0.24 4.05 -0.61 0.00 1.70 -0.05 -4.92 118.95 118.88 2jna s ARG 78 Ca 0.19 0.04 -0.27 0.00 -0.47 0.00 0.00 55.73 55.23 2jna s ARG 78 Cb -0.15 -3.62 -0.02 0.00 -0.57 0.00 0.00 34.95 30.59 2jna s ARG 78 CO -0.06 -0.20 1.81 -2.00 -1.08 0.00 0.00 175.30 173.76 2jna s GLU 79 N 1.83 2.71 -0.05 3.89 2.12 -1.26 -1.23 118.70 126.70 2jna s GLU 79 Ca 0.15 0.57 0.08 0.00 0.36 0.00 0.00 54.97 56.13 2jna s GLU 79 Cb -0.15 -4.36 0.30 0.00 0.26 0.00 0.00 34.13 30.18 2jna s GLU 79 CO 0.09 -2.64 1.12 1.58 -0.54 0.00 0.00 175.26 174.87 2jna n HIS 80 N 12.35 0.62 0.00 5.30 -0.00 0.43 -4.99 115.22 128.94 2jna n HIS 80 Ca 0.19 -0.25 0.00 0.00 -0.00 0.00 0.00 57.72 57.66 2jna n HIS 80 Cb 0.52 -0.13 0.00 0.00 -0.00 0.00 0.00 29.99 30.38 2jna n HIS 80 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2jna n GLY 81 N 0.64 0.92 0.00 1.57 0.00 -1.26 -4.06 105.19 102.99 2jna n GLY 81 Ca 0.11 -0.88 0.12 0.00 0.00 0.00 0.00 46.02 45.37 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 0.34 -4.39 1.61 -0.04 -1.26 -4.80 135.00 126.47 2jna n PRO 82 Ca 0.00 0.05 -0.23 0.00 -0.04 0.00 0.00 63.50 63.28 2jna n PRO 82 Cb 0.00 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 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 -2.59 3.04 -0.12 3.54 0.02 -1.26 -1.17 114.94 116.40 2jna s ASN 83 Ca 0.23 -0.93 -0.00 0.00 -1.02 0.00 0.00 52.86 51.15 2jna s ASN 83 Cb 0.17 -0.21 0.02 0.00 0.02 0.00 0.00 41.25 41.25 2jna s ASN 83 CO 0.39 -0.00 -0.09 0.12 0.02 0.00 0.00 177.10 177.53 2jna s PHE 84 N -2.21 1.61 -0.32 2.20 5.36 0.73 -0.43 117.98 124.92 2jna s PHE 84 Ca 0.21 -0.81 -0.06 0.00 -0.96 0.00 0.00 56.93 55.31 2jna s PHE 84 Cb -0.05 -1.29 0.04 0.00 -0.34 0.00 0.00 43.02 41.38 2jna s PHE 84 CO 0.09 -0.52 0.08 -1.21 -1.46 0.00 0.00 175.22 172.20 2jna s GLU 85 N 1.57 2.68 -0.30 10.12 2.02 -0.37 0.09 118.70 134.51 2jna s GLU 85 Ca 0.03 -1.13 -0.15 0.00 0.02 0.00 0.00 54.97 53.74 2jna s GLU 85 Cb -0.13 -3.39 -0.03 0.00 0.10 0.00 0.00 34.13 30.68 2jna s GLU 85 CO -0.08 -0.61 0.36 0.00 0.02 0.00 0.00 175.26 174.96 2jna s ALA 86 N 1.39 3.53 -0.29 5.21 0.00 -0.02 -0.87 121.76 130.72 2jna s ALA 86 Ca -0.01 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 2jna s ALA 86 Cb -0.19 -2.75 0.03 0.00 0.00 0.00 0.00 23.12 20.21 2jna s ALA 86 CO 0.02 -0.82 0.01 0.08 0.00 0.00 0.00 175.76 175.05 2jna s VAL 87 N 2.05 3.26 0.00 0.00 1.01 0.56 -0.56 120.40 126.73 2jna s VAL 87 Ca 0.14 -1.08 0.05 0.00 0.00 0.00 0.00 61.98 61.09 2jna s VAL 87 Cb -0.16 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 2jna s VAL 87 CO 0.11 0.03 -0.16 0.00 0.00 0.00 0.00 175.10 175.07 2jna s ALA 88 N 1.35 1.35 -0.32 5.51 0.00 -0.56 -1.61 121.76 127.49 2jna s ALA 88 Ca -0.01 -0.76 -0.19 0.00 0.00 0.00 0.00 51.96 50.99 2jna s ALA 88 Cb -0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 2jna s ALA 88 CO -0.01 0.31 0.57 -1.21 0.00 0.00 0.00 175.76 175.43 2jna s GLU 89 N -0.62 3.79 -0.24 0.00 0.41 0.15 -0.90 118.70 121.29 2jna s GLU 89 Ca 0.05 0.10 -0.10 0.00 -0.41 0.00 0.00 54.97 54.61 2jna s GLU 89 Cb -0.07 -3.76 -0.05 0.00 -1.78 0.00 0.00 34.13 28.48 2jna s GLU 89 CO 0.00 -0.59 0.15 0.08 -0.49 0.00 0.00 175.26 174.41 2jna s VAL 90 N 2.51 5.30 0.23 2.63 1.01 -1.04 -0.05 120.40 131.00 2jna s VAL 90 Ca 0.22 0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.46 2jna s VAL 90 Cb -0.15 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 2jna s VAL 90 CO 0.12 0.35 -0.17 -0.31 0.00 0.00 0.00 175.10 175.09 2jna s TYR 91 N 1.05 1.95 0.45 5.22 1.51 -1.07 -2.00 117.35 124.46 2jna s TYR 91 Ca 0.07 -0.47 0.04 0.00 -1.01 0.00 0.00 57.07 55.70 2jna s TYR 91 Cb -0.14 -0.88 -0.05 0.00 -0.11 0.00 0.00 41.96 40.78 2jna s TYR 91 CO 0.04 0.50 0.01 1.21 -1.11 0.00 0.00 175.55 176.20 2jna s ASN 92 N -3.33 3.92 0.84 2.29 3.84 0.47 -0.86 114.94 122.12 2jna s ASN 92 Ca 0.25 -1.51 -0.13 0.00 0.21 0.00 0.00 52.86 51.67 2jna s ASN 92 Cb -0.03 0.06 0.05 0.00 -0.55 0.00 0.00 41.25 40.78 2jna s ASN 92 CO 0.10 -0.65 0.82 0.47 -2.79 0.00 0.00 177.10 175.05 2jna n ASP 93 N -1.11 -0.43 -3.46 -4.21 8.00 -1.26 -2.95 116.55 111.14 2jna n ASP 93 Ca -0.11 0.49 -0.36 0.00 0.71 0.00 0.00 54.79 55.51 2jna n ASP 93 Cb 0.67 -1.36 -0.02 0.00 -0.02 0.00 0.00 41.12 40.39 2jna n ASP 93 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jna n ALA 94 N -3.31 5.39 -2.00 2.24 0.00 -1.26 -4.13 120.51 117.44 2jna n ALA 94 Ca 0.11 -3.19 0.00 0.00 0.00 0.00 0.00 53.44 50.36 2jna n ALA 94 Cb 0.51 -3.38 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 2.41 0.00 0.00 0.00 177.50 179.91 2jna n THR 95 N 4.67 0.00 0.00 0.00 -1.04 -1.24 -3.88 114.28 112.78 2jna n THR 95 Ca 0.57 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.58 2jna n THR 95 Cb 0.29 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 2jna n THR 95 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2jna n LYS 96 N 0.00 0.00 -2.56 -2.82 5.02 -1.26 -3.52 118.16 113.02 2jna n LYS 96 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 2jna n LYS 96 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2jna n LYS 96 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2jna n LEU 97 N 0.00 5.60 -3.20 -0.35 4.77 -1.26 -4.63 117.00 117.93 2jna n LEU 97 Ca 0.00 -4.27 -0.18 0.00 -0.03 0.00 0.00 56.01 51.53 2jna n LEU 97 Cb 0.00 -1.64 0.02 0.00 -2.33 0.00 0.00 43.42 39.46 2jna n LEU 97 CO 0.00 0.70 -0.03 -0.62 -1.33 0.00 0.00 177.39 176.11 2jna n GLU 98 N 6.31 -1.97 -3.71 3.23 1.02 -1.25 -5.03 120.64 119.24 2jna n GLU 98 Ca 0.43 1.65 -0.12 0.00 -0.02 0.00 0.00 57.16 59.10 2jna n GLU 98 Cb 0.42 -4.20 -0.13 0.00 -0.02 0.00 0.00 31.44 27.51 2jna n GLU 98 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2jna s HIS 99 N -2.38 -0.39 -0.26 -0.32 3.76 -1.23 -5.00 115.29 109.46 2jna s HIS 99 Ca 0.22 0.90 -0.03 0.00 -0.15 0.00 0.00 55.06 56.00 2jna s HIS 99 Cb -0.04 0.05 0.10 0.00 1.11 0.00 0.00 32.58 33.80 2jna s HIS 99 CO 0.81 -0.28 0.17 -1.01 -0.85 0.00 0.00 174.74 173.58 2jna s HIS 100 N 1.61 0.05 -0.52 1.40 3.76 -1.25 -3.73 115.29 116.61 2jna s HIS 100 Ca -0.06 -0.51 0.07 0.00 -0.15 0.00 0.00 55.06 54.40 2jna s HIS 100 Cb -0.11 -0.71 0.24 0.00 1.11 0.00 0.00 32.58 33.11 2jna s HIS 100 CO -0.09 -0.78 0.60 1.58 -0.85 0.00 0.00 174.74 175.20 2jna n HIS 101 N 5.28 1.53 -2.71 1.40 -0.00 -1.26 -5.06 115.22 114.40 2jna n HIS 101 Ca -0.05 -3.85 -0.42 0.00 0.46 0.00 0.00 57.72 53.86 2jna n HIS 101 Cb 0.45 -0.41 -0.03 0.00 -0.12 0.00 0.00 29.99 29.87 2jna n HIS 101 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jna s HIS 102 N -1.65 2.59 0.01 1.57 5.04 -1.26 -4.92 115.29 116.68 2jna s HIS 102 Ca 0.36 -0.04 -0.22 0.00 -1.54 0.00 0.00 55.06 53.63 2jna s HIS 102 Cb 0.14 -4.36 -0.05 0.00 0.04 0.00 0.00 32.58 28.34 2jna s HIS 102 CO -0.08 -1.66 0.65 -1.58 -2.34 0.00 0.00 174.74 169.73 2jna s HIS 103 N 4.66 3.70 0.00 3.88 2.46 -1.26 -5.20 115.29 123.53 2jna s HIS 103 Ca 0.33 1.28 0.00 0.00 0.47 0.00 0.00 55.06 57.14 2jna s HIS 103 Cb -0.11 -2.67 0.00 0.00 -0.13 0.00 0.00 32.58 29.67 2jna s HIS 103 CO 0.18 0.33 0.00 -2.39 -2.47 0.00 0.00 174.74 170.38