#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 -1.68 -3.56 3.17 4.01 -1.26 -5.07 118.16 113.77 2jna n LYS 2 Ca 0.00 1.28 -0.09 0.00 -0.51 0.00 0.00 58.31 58.99 2jna n LYS 2 Cb 0.00 -2.00 -0.02 0.00 -0.51 0.00 0.00 35.03 32.50 2jna n LYS 2 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 2jna s LYS 3 N -2.83 1.23 -0.29 1.97 0.00 -1.26 -5.13 119.74 113.43 2jna s LYS 3 Ca 0.00 -0.54 0.03 0.00 0.00 0.00 0.00 55.97 55.46 2jna s LYS 3 Cb 0.00 0.51 0.08 0.00 0.00 0.00 0.00 37.83 38.42 2jna s LYS 3 CO 0.00 -0.55 -0.01 1.03 0.00 0.00 0.00 175.35 175.82 2jna s ARG 4 N -3.55 1.64 -0.11 1.78 3.00 -1.26 -5.10 118.95 115.35 2jna s ARG 4 Ca 0.05 -1.46 -0.25 0.00 0.00 0.00 0.00 55.73 54.07 2jna s ARG 4 Cb -0.02 -2.86 -0.02 0.00 0.00 0.00 0.00 34.95 32.04 2jna s ARG 4 CO -0.07 -0.77 0.80 0.96 0.00 0.00 0.00 175.30 176.23 2jna s ILE 5 N 1.14 4.94 -0.07 1.52 -5.25 -1.26 -5.04 121.20 117.18 2jna s ILE 5 Ca 0.02 1.62 -0.00 0.00 -0.99 0.00 0.00 60.65 61.30 2jna s ILE 5 Cb -0.19 -4.13 0.02 0.00 2.95 0.00 0.00 42.46 41.12 2jna s ILE 5 CO -0.09 0.13 -0.04 -0.63 -1.79 0.00 0.00 174.94 172.52 2jna s ILE 6 N 1.50 0.61 -0.53 8.37 -1.09 -1.26 -5.09 121.20 123.71 2jna s ILE 6 Ca 0.40 -0.08 -0.01 0.00 -2.23 0.00 0.00 60.65 58.72 2jna s ILE 6 Cb -0.18 -0.68 0.14 0.00 -1.58 0.00 0.00 42.46 40.16 2jna s ILE 6 CO 0.17 0.28 0.32 0.00 -1.23 0.00 0.00 174.94 174.47 2jna s ALA 7 N 1.47 3.37 -0.56 9.38 0.00 -1.26 -5.05 121.76 129.12 2jna s ALA 7 Ca -0.02 -3.01 -0.19 0.00 0.00 0.00 0.00 51.96 48.74 2jna s ALA 7 Cb -0.13 -2.47 0.08 0.00 0.00 0.00 0.00 23.12 20.60 2jna s ALA 7 CO -0.03 -1.98 0.69 0.00 0.00 0.00 0.00 175.76 174.44 2jna s ALA 8 N 0.31 3.37 -0.04 0.00 0.00 -1.26 -5.03 121.76 119.11 2jna s ALA 8 Ca 0.14 -1.95 0.02 0.00 0.00 0.00 0.00 51.96 50.17 2jna s ALA 8 Cb -0.22 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 2jna s ALA 8 CO -0.03 -2.22 -0.07 0.00 0.00 0.00 0.00 175.76 173.44 2jna s ALA 9 N 2.78 3.00 -0.11 0.00 0.00 -1.26 -5.03 121.76 121.14 2jna s ALA 9 Ca 0.14 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 51.07 2jna s ALA 9 Cb -0.21 -1.19 -0.27 0.00 0.00 0.00 0.00 23.12 21.44 2jna s ALA 9 CO 0.09 0.59 0.46 -0.07 0.00 0.00 0.00 175.76 176.83 2jna h LEU 10 N 4.98 0.44 0.00 0.00 3.38 -2.08 -3.48 115.31 118.55 2jna h LEU 10 Ca -0.49 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 56.58 2jna h LEU 10 Cb 1.17 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2jna h LEU 10 CO 0.53 1.79 0.00 0.18 0.09 0.00 0.00 178.44 181.03 2jna n LEU 11 N -3.64 0.00 0.00 1.67 7.99 -1.26 -4.85 117.00 116.91 2jna n LEU 11 Ca -0.29 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.71 2jna n LEU 11 Cb 1.01 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.32 2jna n LEU 11 CO 0.43 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.31 2jna n ALA 12 N 6.48 0.00 -2.91 -1.18 0.00 -1.26 -4.84 120.51 116.81 2jna n ALA 12 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2jna n ALA 12 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 2jna n ALA 12 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2jna n THR 13 N 0.00 -9.44 -3.86 0.00 -1.04 -1.26 -5.03 114.28 93.66 2jna n THR 13 Ca 0.00 1.22 -0.26 0.00 -2.04 0.00 0.00 64.05 62.96 2jna n THR 13 Cb 0.00 -6.09 -0.17 0.00 -1.82 0.00 0.00 70.33 62.25 2jna n THR 13 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2jna s VAL 14 N -1.78 0.85 -0.59 12.58 1.01 -1.26 -5.09 120.40 126.13 2jna s VAL 14 Ca 0.10 -0.31 -0.16 0.00 0.00 0.00 0.00 61.98 61.61 2jna s VAL 14 Cb -0.02 -0.99 0.13 0.00 0.00 0.00 0.00 36.38 35.50 2jna s VAL 14 CO 0.66 0.23 0.58 0.00 0.00 0.00 0.00 175.10 176.58 2jna s ALA 15 N 1.76 3.65 1.00 5.51 0.00 -1.26 -5.06 121.76 127.36 2jna s ALA 15 Ca 0.03 -2.57 -0.16 0.00 0.00 0.00 0.00 51.96 49.26 2jna s ALA 15 Cb -0.14 -3.36 0.21 0.00 0.00 0.00 0.00 23.12 19.83 2jna s ALA 15 CO -0.07 -2.13 1.28 -1.54 0.00 0.00 0.00 175.76 173.29 2jna s SER 16 N 3.45 2.81 -0.04 0.00 1.04 -1.26 -5.08 113.70 114.61 2jna s SER 16 Ca 0.07 0.37 0.06 0.00 0.48 0.00 0.00 55.95 56.93 2jna s SER 16 Cb -0.26 -0.48 -0.02 0.00 0.10 0.00 0.00 66.02 65.36 2jna s SER 16 CO 0.02 -2.93 -0.22 0.12 0.98 0.00 0.00 173.24 171.20 2jna s PHE 17 N -3.71 2.46 -0.59 5.02 5.36 -1.26 -5.05 117.98 120.22 2jna s PHE 17 Ca 0.73 -0.45 -0.36 0.00 -0.96 0.00 0.00 56.93 55.89 2jna s PHE 17 Cb -0.05 -1.57 -0.16 0.00 -0.34 0.00 0.00 43.02 40.90 2jna s PHE 17 CO 0.53 -0.04 2.34 0.43 -1.46 0.00 0.00 175.22 177.03 2jna n SER 18 N 2.57 1.22 -1.47 6.13 7.64 -1.26 -4.78 113.62 123.67 2jna n SER 18 Ca -0.17 0.33 -0.03 0.00 1.01 0.00 0.00 58.87 60.01 2jna n SER 18 Cb 0.52 -1.09 0.01 0.00 -1.01 0.00 0.00 64.21 62.64 2jna n SER 18 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2jna n THR 19 N 7.15 1.94 -3.00 0.44 5.66 -1.26 -4.76 114.28 120.45 2jna n THR 19 Ca 0.52 -0.61 -0.07 0.00 -3.05 0.00 0.00 64.05 60.84 2jna n THR 19 Cb 0.12 -1.34 0.01 0.00 -1.55 0.00 0.00 70.33 67.57 2jna n THR 19 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2jna n LEU 20 N 1.03 -7.05 -3.45 1.09 4.77 -1.26 -5.06 117.00 107.08 2jna n LEU 20 Ca 0.06 0.22 -0.13 0.00 -0.03 0.00 0.00 56.01 56.14 2jna n LEU 20 Cb 0.54 -3.23 -0.03 0.00 -2.33 0.00 0.00 43.42 38.38 2jna n LEU 20 CO 0.08 -1.69 0.39 0.00 -1.33 0.00 0.00 177.39 174.84 2jna s ALA 21 N -2.72 -1.58 -0.11 -1.18 0.00 -1.26 -5.10 121.76 109.82 2jna s ALA 21 Ca 0.15 0.58 -0.07 0.00 0.00 0.00 0.00 51.96 52.62 2jna s ALA 21 Cb -0.04 0.74 0.03 0.00 0.00 0.00 0.00 23.12 23.84 2jna s ALA 21 CO 0.77 -0.70 0.14 0.00 0.00 0.00 0.00 175.76 175.98 2jna n ALA 22 N -0.16 -3.42 -3.32 0.00 0.00 -1.26 -5.09 120.51 107.26 2jna n ALA 22 Ca -0.17 1.39 -0.09 0.00 0.00 0.00 0.00 53.44 54.57 2jna n ALA 22 Cb 0.64 -2.72 -0.04 0.00 0.00 0.00 0.00 19.45 17.33 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 -0.82 1.42 0.12 0.00 2.56 -1.26 -5.15 118.70 115.57 2jna s GLU 23 Ca -0.17 -0.91 0.00 0.00 0.00 0.00 0.00 54.97 53.89 2jna s GLU 23 Cb 0.01 0.52 0.00 0.00 2.00 0.00 0.00 34.13 36.66 2jna s GLU 23 CO 0.45 -0.60 0.00 0.94 -0.56 0.00 0.00 175.26 175.49 2jna n GLN 24 N -0.35 -0.70 -4.52 4.30 0.00 -1.26 -5.06 117.38 109.78 2jna n GLN 24 Ca -0.09 0.57 -0.29 0.00 -0.00 0.00 0.00 57.00 57.18 2jna n GLN 24 Cb 0.62 -0.77 -0.08 0.00 0.00 0.00 0.00 30.24 30.02 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 -3.62 1.66 0.24 1.69 -7.23 -1.26 -5.09 120.40 106.80 2jna s VAL 25 Ca 0.00 -1.90 -0.04 0.00 -1.81 0.00 0.00 61.98 58.23 2jna s VAL 25 Cb 0.00 -2.56 0.06 0.00 0.56 0.00 0.00 36.38 34.44 2jna s VAL 25 CO 0.00 0.00 0.32 -1.54 -0.31 0.00 0.00 175.10 173.57 2jna n SER 26 N -1.22 -0.05 0.02 4.85 3.41 -1.26 -4.92 113.62 114.44 2jna n SER 26 Ca -0.10 -1.09 -0.07 0.00 -0.26 0.00 0.00 58.87 57.35 2jna n SER 26 Cb 0.66 -0.25 -0.12 0.00 -0.26 0.00 0.00 64.21 64.24 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 -0.08 4.33 3.11 -2.01 -3.36 116.57 118.56 2jna h LYS 27 Ca -0.11 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.75 2jna h LYS 27 Cb 0.29 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.51 2jna h LYS 27 CO 0.07 0.65 -0.03 1.96 -2.81 0.00 0.00 179.45 179.30 2jna h GLN 28 N 0.00 -0.01 0.00 1.90 7.50 -2.00 -2.38 115.11 120.12 2jna h GLN 28 Ca -0.16 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 58.97 2jna h GLN 28 Cb 1.86 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 29.39 2jna h GLN 28 CO 0.09 -0.01 -0.06 0.93 -1.50 0.00 0.00 178.83 178.29 2jna h GLU 29 N -0.01 0.00 0.45 1.46 3.07 -1.95 0.54 114.58 118.13 2jna h GLU 29 Ca 0.04 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.88 2jna h GLU 29 Cb 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 2jna h GLU 29 CO -0.09 0.06 -0.22 0.82 -1.40 0.00 0.00 179.01 178.18 2jna h ILE 30 N 0.00 0.56 0.00 3.13 2.04 -1.57 0.45 117.51 122.12 2jna h ILE 30 Ca -0.00 -0.09 -0.10 0.00 1.00 0.00 0.00 64.86 65.67 2jna h ILE 30 Cb 0.13 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2jna h ILE 30 CO 0.01 0.02 -0.47 0.28 0.00 0.00 0.00 178.15 177.98 2jna h SER 31 N -0.66 0.00 -0.07 1.72 0.02 -1.33 -0.65 113.55 112.58 2jna h SER 31 Ca -0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 2jna h SER 31 Cb 0.49 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 2jna h SER 31 CO 0.10 0.47 -0.03 -0.74 -1.14 0.00 0.00 176.83 175.49 2jna h HIS 32 N 0.00 0.18 -0.01 3.45 6.17 0.32 -3.29 115.15 121.96 2jna h HIS 32 Ca -0.00 -0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.03 2jna h HIS 32 Cb 1.04 -0.04 0.00 0.00 2.52 0.00 0.00 27.41 30.93 2jna h HIS 32 CO 0.00 0.52 -0.39 1.19 0.71 0.00 0.00 177.93 179.96 2jna n PHE 33 N -4.77 0.00 -2.93 5.26 3.72 0.13 -5.03 117.46 113.83 2jna n PHE 33 Ca -0.07 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.25 2jna n PHE 33 Cb 0.26 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.80 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 -0.19 -2.16 -2.70 -1.08 4.76 -0.29 -5.02 118.16 111.49 2jna n LYS 34 Ca 0.07 1.96 -0.22 0.00 -2.87 0.00 0.00 58.31 57.25 2jna n LYS 34 Cb 0.36 -5.48 0.03 0.00 -1.84 0.00 0.00 35.03 28.10 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 -2.89 3.34 -0.08 -0.35 1.43 -1.00 -4.95 118.68 114.18 2jna s LEU 35 Ca 0.21 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.30 2jna s LEU 35 Cb -0.05 -2.97 -0.05 0.00 0.03 0.00 0.00 46.19 43.15 2jna s LEU 35 CO 0.77 -1.05 0.26 -0.69 0.23 0.00 0.00 176.35 175.87 2jna s VAL 36 N -2.74 5.30 -0.20 -1.59 1.01 -1.25 -4.95 120.40 115.98 2jna s VAL 36 Ca 0.55 0.49 -0.13 0.00 0.00 0.00 0.00 61.98 62.89 2jna s VAL 36 Cb -0.10 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 2jna s VAL 36 CO 0.39 0.57 0.26 -0.75 0.00 0.00 0.00 175.10 175.56 2jna s LYS 37 N -0.78 4.17 -0.25 2.72 2.20 -1.26 0.82 119.74 127.35 2jna s LYS 37 Ca 0.18 -0.03 -0.07 0.00 -0.36 0.00 0.00 55.97 55.70 2jna s LYS 37 Cb -0.14 -3.49 -0.13 0.00 -1.51 0.00 0.00 37.83 32.56 2jna s LYS 37 CO 0.07 0.11 -0.28 1.33 -0.36 0.00 0.00 175.35 176.22 2jna n VAL 38 N 4.01 1.40 -3.81 4.02 0.24 -0.74 -4.91 118.33 118.55 2jna n VAL 38 Ca -0.12 -0.43 0.01 0.00 -2.04 0.00 0.00 64.34 61.76 2jna n VAL 38 Cb 0.52 -1.64 0.00 0.00 -1.47 0.00 0.00 33.84 31.25 2jna n VAL 38 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2jna s GLY 39 N -5.83 -0.22 -0.03 7.63 0.00 -1.20 -5.03 107.32 102.62 2jna s GLY 39 Ca -0.34 0.27 0.03 0.00 0.00 0.00 0.00 44.72 44.67 2jna s GLY 39 CO 0.50 2.63 -0.11 -1.59 0.00 0.00 0.00 173.10 174.53 2jna s THR 40 N -2.27 3.34 0.05 0.90 2.01 -1.26 -0.28 115.64 118.14 2jna s THR 40 Ca 0.21 -0.71 0.09 0.00 0.31 0.00 0.00 61.69 61.59 2jna s THR 40 Cb 0.01 -2.37 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 2jna s THR 40 CO -0.01 0.52 -0.26 0.27 -0.69 0.00 0.00 174.62 174.45 2jna s ILE 41 N -0.83 2.13 -0.21 1.82 -4.36 -0.25 -4.96 121.20 114.54 2jna s ILE 41 Ca 0.13 -1.41 -0.02 0.00 -0.26 0.00 0.00 60.65 59.10 2jna s ILE 41 Cb -0.11 -1.83 0.01 0.00 1.25 0.00 0.00 42.46 41.78 2jna s ILE 41 CO 0.03 0.35 -0.10 0.20 0.24 0.00 0.00 174.94 175.66 2jna s ASN 42 N -1.28 3.94 -0.43 4.36 -0.87 -1.26 -2.91 114.94 116.49 2jna s ASN 42 Ca 0.12 -0.58 -0.18 0.00 -1.57 0.00 0.00 52.86 50.65 2jna s ASN 42 Cb -0.10 -1.64 0.03 0.00 -0.02 0.00 0.00 41.25 39.51 2jna s ASN 42 CO 0.02 -0.04 0.51 -0.69 -2.57 0.00 0.00 177.10 174.34 2jna s VAL 43 N 1.39 5.00 -0.32 1.60 1.01 0.28 -4.99 120.40 124.36 2jna s VAL 43 Ca 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 2jna s VAL 43 Cb -0.14 -4.11 0.12 0.00 0.00 0.00 0.00 36.38 32.24 2jna s VAL 43 CO -0.07 -0.51 0.16 -0.44 0.00 0.00 0.00 175.10 174.24 2jna s SER 44 N 1.96 3.42 -0.04 3.32 0.01 -1.25 -1.01 113.70 120.10 2jna s SER 44 Ca 0.15 -1.70 0.03 0.00 1.31 0.00 0.00 55.95 55.74 2jna s SER 44 Cb -0.17 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.60 2jna s SER 44 CO 0.15 -0.38 -0.13 -1.10 0.41 0.00 0.00 173.24 172.18 2jna s GLN 45 N 1.61 1.44 -1.47 12.44 1.11 -0.95 -4.98 119.66 128.85 2jna s GLN 45 Ca 0.13 -0.45 -0.12 0.00 0.01 0.00 0.00 55.36 54.93 2jna s GLN 45 Cb -0.19 -1.26 -0.04 0.00 -1.01 0.00 0.00 33.01 30.51 2jna s GLN 45 CO -0.21 0.15 2.58 0.45 0.01 0.00 0.00 175.29 178.27 2jna n SER 46 N 3.34 6.36 0.00 5.90 2.88 -1.26 0.16 113.62 130.99 2jna n SER 46 Ca -0.19 -2.66 0.00 0.00 -1.33 0.00 0.00 58.87 54.69 2jna n SER 46 Cb 0.53 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 2jna n SER 46 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jna n GLY 47 N 3.84 1.77 0.47 0.46 0.00 -0.97 -4.59 105.19 106.17 2jna n GLY 47 Ca 0.65 -0.01 0.29 0.00 0.00 0.00 0.00 46.02 46.95 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 0.06 2.00 -0.02 0.00 -1.87 -0.28 103.07 102.96 2jna h GLY 48 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 47.33 47.18 2jna h GLY 48 CO 0.00 -0.00 -0.64 1.46 0.00 0.00 0.00 176.54 177.36 2jna h GLN 49 N 0.03 0.00 -4.54 4.80 4.20 -1.91 -3.43 115.11 114.26 2jna h GLN 49 Ca 0.44 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.55 2jna h GLN 49 Cb 1.72 0.00 -0.37 0.00 0.30 0.00 0.00 27.48 29.14 2jna h GLN 49 CO -0.02 0.64 -0.82 0.42 -0.67 0.00 0.00 178.83 178.38 2jna s ILE 50 N -3.04 1.51 0.03 2.54 -1.09 -0.12 -4.86 121.20 116.18 2jna s ILE 50 Ca 0.02 -0.77 -0.01 0.00 -2.23 0.00 0.00 60.65 57.66 2jna s ILE 50 Cb 0.09 -1.53 -0.00 0.00 -1.58 0.00 0.00 42.46 39.44 2jna s ILE 50 CO 0.76 0.29 -0.01 -0.24 -1.23 0.00 0.00 174.94 174.50 2jna n SER 51 N 4.76 0.57 -4.86 3.58 2.88 -1.26 -4.81 113.62 114.48 2jna n SER 51 Ca -0.15 0.07 -0.21 0.00 -1.33 0.00 0.00 58.87 57.25 2jna n SER 51 Cb 0.48 -0.18 -0.04 0.00 -0.75 0.00 0.00 64.21 63.73 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 -5.51 5.36 0.54 -3.46 0.01 -1.26 -5.00 113.70 104.37 2jna s SER 52 Ca -0.01 -0.45 0.21 0.00 1.31 0.00 0.00 55.95 57.01 2jna s SER 52 Cb 0.00 -1.05 1.43 0.00 0.21 0.00 0.00 66.02 66.62 2jna s SER 52 CO 0.02 -0.31 2.17 1.55 0.41 0.00 0.00 173.24 177.07 2jna h PRO 53 N 1.26 0.00 0.00 12.44 0.13 -2.00 -1.18 132.00 142.66 2jna h PRO 53 Ca -0.45 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 2jna h PRO 53 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2jna h PRO 53 CO 0.58 0.02 -0.39 0.66 -0.23 0.00 0.00 178.00 178.65 2jna h SER 54 N 0.00 0.00 -0.17 1.44 4.64 -2.00 -1.00 113.55 116.46 2jna h SER 54 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 2jna h SER 54 Cb 0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2jna h SER 54 CO 0.00 0.39 -0.25 0.44 -0.87 0.00 0.00 176.83 176.54 2jna h ASP 55 N 0.00 0.51 -0.67 4.97 3.32 -1.60 -3.28 116.42 119.67 2jna h ASP 55 Ca -0.00 -0.52 -0.08 0.00 0.02 0.00 0.00 57.03 56.44 2jna h ASP 55 Cb 0.74 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 2jna h ASP 55 CO 0.05 0.93 0.09 0.25 -1.72 0.00 0.00 179.24 178.85 2jna h LEU 56 N 0.10 1.08 -1.21 1.55 5.85 -1.23 -3.03 115.31 118.42 2jna h LEU 56 Ca 0.02 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 2jna h LEU 56 Cb 0.82 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 2jna h LEU 56 CO 0.06 1.08 0.35 0.08 -0.34 0.00 0.00 178.44 179.67 2jna h ARG 57 N 1.04 0.90 -0.42 1.25 -0.00 -1.27 0.11 114.38 116.00 2jna h ARG 57 Ca 0.20 -0.09 -0.11 0.00 -0.00 0.00 0.00 59.98 59.97 2jna h ARG 57 Cb 0.47 -0.18 -0.01 0.00 -0.00 0.00 0.00 29.97 30.24 2jna h ARG 57 CO 0.02 0.66 -0.20 0.93 -0.00 0.00 0.00 179.97 181.38 2jna h GLU 58 N 0.91 0.82 -0.50 0.08 5.08 -1.59 0.52 114.58 119.90 2jna h GLU 58 Ca 0.23 -0.33 -0.13 0.00 -1.00 0.00 0.00 59.36 58.14 2jna h GLU 58 Cb 0.03 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2jna h GLU 58 CO -0.04 0.95 -0.18 -0.22 -1.00 0.00 0.00 179.01 178.52 2jna h LYS 59 N 0.72 1.00 -0.24 2.33 1.63 -1.22 -0.77 116.57 120.02 2jna h LYS 59 Ca 0.10 -0.41 -0.19 0.00 -0.85 0.00 0.00 60.65 59.30 2jna h LYS 59 Cb 0.72 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 2jna h LYS 59 CO 0.06 1.09 -0.61 -0.07 -3.45 0.00 0.00 179.45 176.47 2jna h LEU 60 N 0.86 0.90 -0.74 5.20 3.38 -0.84 -2.70 115.31 121.37 2jna h LEU 60 Ca 0.12 -0.51 -0.08 0.00 0.09 0.00 0.00 57.88 57.49 2jna h LEU 60 Cb 0.76 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2jna h LEU 60 CO 0.06 1.30 0.07 -1.28 0.09 0.00 0.00 178.44 178.68 2jna h SER 61 N 0.59 0.99 -0.77 -0.43 0.87 -0.80 -1.56 113.55 112.43 2jna h SER 61 Ca -0.00 -0.24 0.06 0.00 -1.23 0.00 0.00 61.79 60.37 2jna h SER 61 Cb 1.22 -0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 62.86 2jna h SER 61 CO 0.13 1.00 0.46 -0.08 -0.53 0.00 0.00 176.83 177.82 2jna h GLU 62 N 0.96 0.83 -0.11 2.24 4.57 -1.04 -0.39 114.58 121.64 2jna h GLU 62 Ca 0.19 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.24 2jna h GLU 62 Cb 0.46 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 2jna h GLU 62 CO 0.02 0.55 -0.24 -0.07 -1.18 0.00 0.00 179.01 178.09 2jna h LEU 63 N 0.85 0.39 -0.44 1.64 3.38 -1.17 -3.10 115.31 116.87 2jna h LEU 63 Ca 0.34 -0.57 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 2jna h LEU 63 Cb 0.17 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2jna h LEU 63 CO -0.17 0.89 -0.05 0.00 0.09 0.00 0.00 178.44 179.20 2jna h ALA 64 N 0.51 0.60 0.00 1.53 0.00 -1.07 -2.25 119.26 118.58 2jna h ALA 64 Ca 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2jna h ALA 64 Cb 0.83 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2jna h ALA 64 CO 0.05 0.44 -0.07 0.22 0.00 0.00 0.00 179.25 179.90 2jna h ASP 65 N 0.65 0.00 0.74 0.00 3.58 -1.17 -0.52 116.42 119.71 2jna h ASP 65 Ca 0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.57 2jna h ASP 65 Cb 0.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2jna h ASP 65 CO 0.03 0.07 -0.64 0.00 -2.88 0.00 0.00 179.24 175.82 2jna n ALA 66 N -2.26 3.09 -0.02 -0.78 0.00 -0.97 -4.07 120.51 115.50 2jna n ALA 66 Ca -0.02 -0.28 -0.22 0.00 0.00 0.00 0.00 53.44 52.92 2jna n ALA 66 Cb 0.18 -1.14 -0.13 0.00 0.00 0.00 0.00 19.45 18.36 2jna n ALA 66 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jna n LYS 67 N -1.96 0.71 0.00 0.00 4.76 -0.42 -5.04 118.16 116.21 2jna n LYS 67 Ca 0.04 0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.82 2jna n LYS 67 Cb 0.42 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 2jna n LYS 67 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jna n GLY 68 N 1.84 0.76 3.37 0.72 0.00 -0.34 -5.03 105.19 106.51 2jna n GLY 68 Ca -0.32 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.43 1.00 0.08 -0.02 0.00 -1.22 -4.63 107.32 101.10 2jna s GLY 69 Ca 0.00 -1.31 0.23 0.00 0.00 0.00 0.00 44.72 43.64 2jna s GLY 69 CO 0.00 -1.05 1.11 0.28 0.00 0.00 0.00 173.10 173.44 2jna n LYS 70 N -0.31 0.32 -3.83 2.90 4.76 -1.16 -4.76 118.16 116.08 2jna n LYS 70 Ca -0.00 0.03 -0.05 0.00 -2.87 0.00 0.00 58.31 55.42 2jna n LYS 70 Cb 0.64 -1.63 0.01 0.00 -1.84 0.00 0.00 35.03 32.20 2jna n LYS 70 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 2jna s TYR 71 N -3.20 0.01 -0.02 2.13 1.13 -1.25 -4.71 117.35 111.44 2jna s TYR 71 Ca 0.04 -0.45 0.02 0.00 -1.41 0.00 0.00 57.07 55.26 2jna s TYR 71 Cb 0.14 0.72 0.00 0.00 -1.10 0.00 0.00 41.96 41.72 2jna s TYR 71 CO 0.78 -1.08 -0.05 1.52 -2.51 0.00 0.00 175.55 174.21 2jna s TYR 72 N -2.63 0.57 -0.27 -3.49 1.13 -1.26 -3.36 117.35 108.03 2jna s TYR 72 Ca 0.17 -0.12 -0.05 0.00 -1.41 0.00 0.00 57.07 55.66 2jna s TYR 72 Cb -0.03 -0.43 0.01 0.00 -1.10 0.00 0.00 41.96 40.41 2jna s TYR 72 CO 0.06 -0.06 0.03 -1.58 -2.51 0.00 0.00 175.55 171.48 2jna s HIS 73 N 0.22 3.10 0.21 -3.49 2.46 -0.42 -4.84 115.29 112.53 2jna s HIS 73 Ca -0.02 -1.10 -0.30 0.00 0.47 0.00 0.00 55.06 54.11 2jna s HIS 73 Cb -0.06 -2.18 -0.08 0.00 -0.13 0.00 0.00 32.58 30.12 2jna s HIS 73 CO -0.00 -0.60 1.19 0.42 -2.47 0.00 0.00 174.74 173.28 2jna s ILE 74 N 1.45 3.50 -0.01 0.89 1.09 -1.26 -1.48 121.20 125.38 2jna s ILE 74 Ca 0.02 1.30 0.03 0.00 -1.10 0.00 0.00 60.65 60.91 2jna s ILE 74 Cb -0.17 -3.83 -0.04 0.00 -1.06 0.00 0.00 42.46 37.36 2jna s ILE 74 CO -0.00 0.23 0.06 2.30 -0.10 0.00 0.00 174.94 177.42 2jna n ILE 75 N 2.22 0.03 -3.56 2.92 -5.35 -0.19 -4.95 119.36 110.48 2jna n ILE 75 Ca 0.03 -0.08 -0.17 0.00 -0.27 0.00 0.00 62.75 62.27 2jna n ILE 75 Cb 0.44 0.19 -0.06 0.00 -1.74 0.00 0.00 39.64 38.47 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 -2.18 -1.72 -0.24 -1.28 0.00 -0.99 -5.02 121.76 110.33 2jna s ALA 76 Ca -0.01 1.41 -0.26 0.00 0.00 0.00 0.00 51.96 53.10 2jna s ALA 76 Cb 0.02 -0.24 0.08 0.00 0.00 0.00 0.00 23.12 22.98 2jna s ALA 76 CO 0.12 -0.36 0.79 0.00 0.00 0.00 0.00 175.76 176.32 2jna s ALA 77 N -0.87 -1.83 -0.07 0.00 0.00 -1.26 0.51 121.76 118.25 2jna s ALA 77 Ca -0.09 1.90 -0.29 0.00 0.00 0.00 0.00 51.96 53.48 2jna s ALA 77 Cb -0.01 -1.09 0.11 0.00 0.00 0.00 0.00 23.12 22.13 2jna s ALA 77 CO 0.08 -0.32 0.90 -0.98 0.00 0.00 0.00 175.76 175.44 2jna s ARG 78 N 0.11 0.77 -0.28 0.00 3.03 0.10 -4.99 118.95 117.69 2jna s ARG 78 Ca -0.01 -0.06 -0.22 0.00 2.03 0.00 0.00 55.73 57.48 2jna s ARG 78 Cb -0.04 0.36 -0.01 0.00 -1.03 0.00 0.00 34.95 34.23 2jna s ARG 78 CO 0.00 -0.29 0.69 -1.21 -1.13 0.00 0.00 175.30 173.37 2jna s GLU 79 N -2.10 4.00 -0.67 3.89 2.02 -1.26 -0.74 118.70 123.84 2jna s GLU 79 Ca 0.00 0.51 -0.08 0.00 0.02 0.00 0.00 54.97 55.42 2jna s GLU 79 Cb -0.01 -3.70 0.17 0.00 0.10 0.00 0.00 34.13 30.70 2jna s GLU 79 CO -0.03 -0.55 0.54 -1.58 0.02 0.00 0.00 175.26 173.66 2jna s HIS 80 N 2.70 3.54 0.00 1.61 2.46 0.83 -4.95 115.29 121.47 2jna s HIS 80 Ca 0.28 -2.32 0.00 0.00 0.47 0.00 0.00 55.06 53.49 2jna s HIS 80 Cb -0.15 -3.47 0.00 0.00 -0.13 0.00 0.00 32.58 28.83 2jna s HIS 80 CO 0.11 -0.92 0.00 0.41 -2.47 0.00 0.00 174.74 171.87 2jna n GLY 81 N 3.89 3.62 0.89 1.59 0.00 -1.26 -1.50 105.19 112.42 2jna n GLY 81 Ca 0.07 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 13.28 2.15 -4.09 1.61 -0.04 -1.26 -4.93 135.00 141.72 2jna n PRO 82 Ca 0.00 -1.75 -0.34 0.00 -0.04 0.00 0.00 63.50 61.36 2jna n PRO 82 Cb 0.00 -1.44 -0.07 0.00 -0.04 0.00 0.00 33.50 31.95 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 5.81 -0.34 3.54 0.02 -0.57 -2.28 114.94 119.78 2jna s ASN 83 Ca 0.35 0.23 -0.11 0.00 -1.02 0.00 0.00 52.86 52.31 2jna s ASN 83 Cb 0.19 -1.72 -0.00 0.00 0.02 0.00 0.00 41.25 39.74 2jna s ASN 83 CO 0.27 0.32 0.19 0.12 0.02 0.00 0.00 177.10 178.02 2jna s PHE 84 N -1.12 3.21 -0.16 2.20 5.36 0.12 -0.12 117.98 127.46 2jna s PHE 84 Ca 0.20 -0.56 -0.02 0.00 -0.96 0.00 0.00 56.93 55.59 2jna s PHE 84 Cb -0.12 -2.41 -0.02 0.00 -0.34 0.00 0.00 43.02 40.13 2jna s PHE 84 CO 0.10 -0.47 -0.08 -1.21 -1.46 0.00 0.00 175.22 172.10 2jna s GLU 85 N 1.63 3.48 -0.03 10.12 0.41 0.08 -2.24 118.70 132.15 2jna s GLU 85 Ca 0.04 -0.62 -0.01 0.00 -0.41 0.00 0.00 54.97 53.98 2jna s GLU 85 Cb -0.18 -2.82 0.02 0.00 -1.78 0.00 0.00 34.13 29.38 2jna s GLU 85 CO 0.08 0.12 0.06 0.00 -0.49 0.00 0.00 175.26 175.02 2jna s ALA 86 N 0.65 -0.05 -0.22 5.21 0.00 -0.18 0.00 121.76 127.17 2jna s ALA 86 Ca -0.04 0.32 -0.01 0.00 0.00 0.00 0.00 51.96 52.22 2jna s ALA 86 Cb -0.15 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.76 2jna s ALA 86 CO 0.02 -0.09 -0.11 0.08 0.00 0.00 0.00 175.76 175.67 2jna s VAL 87 N 0.73 2.70 0.03 0.00 1.01 0.18 -0.55 120.40 124.50 2jna s VAL 87 Ca -0.06 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.08 2jna s VAL 87 Cb -0.08 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 2jna s VAL 87 CO -0.03 0.37 -0.10 0.00 0.00 0.00 0.00 175.10 175.35 2jna s ALA 88 N 1.35 0.79 -0.06 5.51 0.00 -1.14 -1.03 121.76 127.17 2jna s ALA 88 Ca 0.03 -0.65 0.05 0.00 0.00 0.00 0.00 51.96 51.39 2jna s ALA 88 Cb -0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 2jna s ALA 88 CO -0.07 0.11 -0.20 -1.21 0.00 0.00 0.00 175.76 174.39 2jna s GLU 89 N -1.01 2.57 -0.09 0.00 2.02 -0.55 -1.09 118.70 120.55 2jna s GLU 89 Ca -0.02 -0.82 -0.13 0.00 0.02 0.00 0.00 54.97 54.02 2jna s GLU 89 Cb -0.07 -2.27 -0.05 0.00 0.10 0.00 0.00 34.13 31.84 2jna s GLU 89 CO 0.01 0.46 0.32 0.08 0.02 0.00 0.00 175.26 176.15 2jna s VAL 90 N -0.34 5.23 0.11 2.63 1.01 0.62 -1.31 120.40 128.36 2jna s VAL 90 Ca 0.02 0.62 0.10 0.00 0.00 0.00 0.00 61.98 62.73 2jna s VAL 90 Cb -0.12 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2jna s VAL 90 CO 0.02 0.51 -0.25 -0.31 0.00 0.00 0.00 175.10 175.07 2jna s TYR 91 N -0.43 2.36 0.46 5.22 1.51 -1.21 -1.79 117.35 123.46 2jna s TYR 91 Ca 0.20 -0.36 0.03 0.00 -1.01 0.00 0.00 57.07 55.93 2jna s TYR 91 Cb -0.14 -1.29 0.01 0.00 -0.11 0.00 0.00 41.96 40.42 2jna s TYR 91 CO 0.08 0.32 0.65 1.21 -1.11 0.00 0.00 175.55 176.69 2jna s ASN 92 N -1.94 5.65 0.16 2.29 3.84 0.24 -2.96 114.94 122.21 2jna s ASN 92 Ca 0.14 -0.03 0.17 0.00 0.21 0.00 0.00 52.86 53.36 2jna s ASN 92 Cb -0.10 -1.11 0.76 0.00 -0.55 0.00 0.00 41.25 40.25 2jna s ASN 92 CO 0.06 -0.80 1.52 -0.67 -2.79 0.00 0.00 177.10 174.42 2jna n ASP 93 N -2.04 0.35 0.00 -4.21 2.03 -1.26 -3.76 116.55 107.66 2jna n ASP 93 Ca 0.04 0.61 0.00 0.00 0.52 0.00 0.00 54.79 55.97 2jna n ASP 93 Cb 0.59 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 2jna n ASP 93 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jna n ALA 94 N -1.65 0.00 -0.02 -1.67 0.00 -1.26 -4.77 120.51 111.13 2jna n ALA 94 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 2jna n ALA 94 Cb 0.14 -0.36 -0.04 0.00 0.00 0.00 0.00 19.45 19.19 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 -2.52 0.33 0.00 0.00 -1.04 -1.26 -4.95 114.28 104.84 2jna n THR 95 Ca 0.00 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 2jna n THR 95 Cb 0.09 -0.86 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 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 -2.18 0.00 -0.59 -2.82 5.02 -1.26 -4.95 118.16 111.38 2jna n LYS 96 Ca -0.08 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.29 2jna n LYS 96 Cb 0.65 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.64 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 -0.36 -3.73 -0.35 4.77 -1.26 -4.96 117.00 111.12 2jna n LEU 97 Ca 0.00 0.81 -0.24 0.00 -0.03 0.00 0.00 56.01 56.55 2jna n LEU 97 Cb 0.00 -1.91 0.00 0.00 -2.33 0.00 0.00 43.42 39.18 2jna n LEU 97 CO 0.00 -1.27 -0.16 -0.62 -1.33 0.00 0.00 177.39 174.01 2jna n GLU 98 N -3.17 -1.39 -3.13 3.23 1.02 -1.26 -4.91 120.64 111.02 2jna n GLU 98 Ca -0.01 0.77 -0.45 0.00 -0.02 0.00 0.00 57.16 57.45 2jna n GLU 98 Cb 0.28 -2.79 -0.03 0.00 -0.02 0.00 0.00 31.44 28.87 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 -3.06 3.22 0.38 -0.32 3.76 -1.26 -5.05 115.29 112.96 2jna s HIS 99 Ca 0.06 -1.32 -0.05 0.00 -0.15 0.00 0.00 55.06 53.60 2jna s HIS 99 Cb -0.03 -4.02 -0.05 0.00 1.11 0.00 0.00 32.58 29.59 2jna s HIS 99 CO 0.88 -1.25 0.66 -1.01 -0.85 0.00 0.00 174.74 173.17 2jna s HIS 100 N 2.02 3.50 0.14 1.40 3.76 -1.26 -5.03 115.29 119.83 2jna s HIS 100 Ca 0.17 0.72 -0.30 0.00 -0.15 0.00 0.00 55.06 55.50 2jna s HIS 100 Cb -0.17 -2.19 -0.08 0.00 1.11 0.00 0.00 32.58 31.26 2jna s HIS 100 CO -0.01 -0.02 1.28 -1.58 -0.85 0.00 0.00 174.74 173.57 2jna s HIS 101 N -2.36 3.33 0.08 1.40 2.46 -1.26 -5.01 115.29 113.92 2jna s HIS 101 Ca 0.46 1.20 -0.07 0.00 0.47 0.00 0.00 55.06 57.12 2jna s HIS 101 Cb -0.10 -3.55 -0.01 0.00 -0.13 0.00 0.00 32.58 28.79 2jna s HIS 101 CO 0.35 -1.74 0.15 -3.38 -2.47 0.00 0.00 174.74 167.64 2jna s HIS 102 N 0.59 0.22 -0.23 3.88 -3.43 -1.26 -5.16 115.29 109.89 2jna s HIS 102 Ca 0.59 -0.66 -0.09 0.00 -0.80 0.00 0.00 55.06 54.10 2jna s HIS 102 Cb -0.34 -0.12 0.10 0.00 -1.43 0.00 0.00 32.58 30.78 2jna s HIS 102 CO 0.33 -0.50 0.51 -1.58 -2.00 0.00 0.00 174.74 171.50 2jna s HIS 103 N -3.77 -0.96 0.00 0.38 2.46 -1.26 -5.32 115.29 106.82 2jna s HIS 103 Ca 0.05 1.79 0.00 0.00 0.47 0.00 0.00 55.06 57.36 2jna s HIS 103 Cb 0.05 0.48 0.00 0.00 -0.13 0.00 0.00 32.58 32.98 2jna s HIS 103 CO -0.10 -0.52 0.00 0.72 -2.47 0.00 0.00 174.74 172.36