#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l3h s THR 2 N 0.00 0.04 0.31 -5.08 -4.23 -1.26 -5.00 115.64 100.41 1l3h s THR 2 Ca 0.00 -1.83 0.06 0.00 -1.18 0.00 0.00 61.69 58.74 1l3h s THR 2 Cb 0.00 -2.26 0.30 0.00 1.34 0.00 0.00 72.50 71.89 1l3h s THR 2 CO 0.00 -0.17 1.80 0.50 -0.54 0.00 0.00 174.62 176.21 1l3h h LYS 3 N 2.64 0.77 0.84 3.99 3.64 -1.99 0.24 116.57 126.70 1l3h h LYS 3 Ca -0.34 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 58.95 1l3h h LYS 3 Cb 1.23 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1l3h h LYS 3 CO 0.52 0.51 -0.42 0.00 -2.27 0.00 0.00 179.45 177.79 1l3h h GLN 5 N -1.15 0.15 0.82 0.00 4.20 -1.54 0.46 115.11 118.06 1l3h h GLN 5 Ca -0.11 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 1l3h h GLN 5 Cb 0.89 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.64 1l3h h GLN 5 CO 0.18 0.18 -0.39 0.93 -0.67 0.00 0.00 178.83 179.05 1l3h h GLU 6 N 0.16 -1.06 -0.68 1.46 5.08 -0.57 -0.12 114.58 118.85 1l3h h GLU 6 Ca 0.04 0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1l3h h GLU 6 Cb 0.11 0.24 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 1l3h h GLU 6 CO 0.00 -0.70 0.38 0.93 -1.00 0.00 0.00 179.01 178.62 1l3h h GLU 7 N -1.17 0.68 -0.51 2.33 5.08 -0.59 0.17 114.58 120.58 1l3h h GLU 7 Ca -0.11 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 1l3h h GLU 7 Cb 0.85 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1l3h h GLU 7 CO 0.19 0.45 0.14 0.28 -1.00 0.00 0.00 179.01 179.07 1l3h h VAL 8 N 0.71 1.21 -0.21 3.13 2.07 -0.94 0.18 116.25 122.39 1l3h h VAL 8 Ca 0.30 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 1l3h h VAL 8 Cb 0.18 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1l3h h VAL 8 CO -0.18 0.28 -0.12 0.28 0.02 0.00 0.00 177.57 177.84 1l3h h SER 9 N 0.75 0.48 1.23 0.57 0.02 -0.19 -3.32 113.55 113.08 1l3h h SER 9 Ca 0.17 -0.43 -0.12 0.00 -0.84 0.00 0.00 61.79 60.58 1l3h h SER 9 Cb 0.25 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1l3h h SER 9 CO -0.01 0.80 -0.56 0.45 -1.14 0.00 0.00 176.83 176.38 1l3h h HIS 10 N 0.16 0.00 -3.50 3.45 -0.00 -0.44 -3.40 115.15 111.42 1l3h h HIS 10 Ca 0.04 0.00 -0.71 0.00 -0.00 0.00 0.00 60.37 59.70 1l3h h HIS 10 Cb 0.63 0.00 -0.33 0.00 -0.00 0.00 0.00 27.41 27.71 1l3h h HIS 10 CO 0.07 0.56 -0.37 0.42 -0.00 0.00 0.00 177.93 178.61 1l3h s ILE 11 N -3.10 3.93 0.61 2.45 1.01 0.60 -5.07 121.20 121.63 1l3h s ILE 11 Ca 0.02 -2.42 -0.16 0.00 0.00 0.00 0.00 60.65 58.10 1l3h s ILE 11 Cb 0.09 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 1l3h s ILE 11 CO 0.74 -0.83 1.09 -2.16 0.00 0.00 0.00 174.94 173.78 1l3h s PRO 12 N 0.59 3.13 0.38 2.79 0.04 -1.26 -4.64 135.00 136.02 1l3h s PRO 12 Ca 0.12 1.34 0.09 0.00 0.04 0.00 0.00 61.00 62.59 1l3h s PRO 12 Cb -0.21 -2.00 0.85 0.00 0.04 0.00 0.00 34.50 33.18 1l3h s PRO 12 CO -0.04 -0.98 1.92 0.00 0.04 0.00 0.00 177.00 177.94 1l3h h ALA 13 N 0.41 1.85 -0.43 8.56 0.00 -1.99 -3.25 119.26 124.42 1l3h h ALA 13 Ca -0.47 -0.00 -0.71 0.00 0.00 0.00 0.00 54.91 53.73 1l3h h ALA 13 Cb 1.24 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1l3h h ALA 13 CO 0.56 -0.04 2.67 0.28 0.00 0.00 0.00 179.25 182.72 1l3h n VAL 14 N -4.51 3.73 -4.14 0.00 0.31 -1.26 -4.88 118.33 107.57 1l3h n VAL 14 Ca 0.14 -3.56 -0.16 0.00 -0.01 0.00 0.00 64.34 60.75 1l3h n VAL 14 Cb 0.39 -2.50 -0.12 0.00 -0.91 0.00 0.00 33.84 30.70 1l3h n VAL 14 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1l3h s HIS 15 N 3.13 1.03 0.67 3.52 -0.00 -1.23 -5.15 115.29 117.26 1l3h s HIS 15 Ca 0.48 -0.51 -0.15 0.00 -0.00 0.00 0.00 55.06 54.88 1l3h s HIS 15 Cb 0.10 -0.58 0.01 0.00 -0.00 0.00 0.00 32.58 32.10 1l3h s HIS 15 CO -0.03 0.01 1.12 -1.25 -0.00 0.00 0.00 174.74 174.59 1l3h s PRO 16 N -1.91 2.69 -1.48 -0.38 0.04 -1.26 -3.19 135.00 129.50 1l3h s PRO 16 Ca -0.03 1.42 -0.12 0.00 0.04 0.00 0.00 61.00 62.31 1l3h s PRO 16 Cb -0.09 -1.93 0.07 0.00 0.04 0.00 0.00 34.50 32.59 1l3h s PRO 16 CO 0.01 -1.34 1.02 0.41 0.04 0.00 0.00 177.00 177.14 1l3h n GLY 17 N -0.45 -0.50 3.43 0.56 0.00 -1.26 -4.77 105.19 102.20 1l3h n GLY 17 Ca 0.11 0.20 -0.49 0.00 0.00 0.00 0.00 46.02 45.84 1l3h n GLY 17 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1l3h n SER 18 N -2.89 1.78 -3.27 1.61 7.64 -1.19 -4.91 113.62 112.38 1l3h n SER 18 Ca 0.02 0.33 -0.10 0.00 1.01 0.00 0.00 58.87 60.13 1l3h n SER 18 Cb 0.54 -1.21 -0.05 0.00 -1.01 0.00 0.00 64.21 62.48 1l3h n SER 18 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1l3h s PHE 19 N 7.80 -0.82 -0.15 1.43 5.36 -1.26 -1.41 117.98 128.92 1l3h s PHE 19 Ca 1.13 -0.50 -0.25 0.00 -0.96 0.00 0.00 56.93 56.35 1l3h s PHE 19 Cb -0.92 -0.13 -0.02 0.00 -0.34 0.00 0.00 43.02 41.62 1l3h s PHE 19 CO 0.49 -1.06 0.82 0.50 -1.46 0.00 0.00 175.22 174.51 1l3h s ARG 20 N 1.48 4.32 1.15 10.12 3.52 -1.26 -5.01 118.95 133.26 1l3h s ARG 20 Ca 0.18 1.01 -0.17 0.00 -0.13 0.00 0.00 55.73 56.62 1l3h s ARG 20 Cb -0.10 -3.56 0.26 0.00 -1.56 0.00 0.00 34.95 30.00 1l3h s ARG 20 CO -0.05 -0.28 1.09 -1.25 -0.81 0.00 0.00 175.30 174.01 1l3h s PRO 21 N 1.96 -0.81 0.03 5.12 0.04 -1.26 -4.74 135.00 135.34 1l3h s PRO 21 Ca 0.38 0.15 -0.14 0.00 0.04 0.00 0.00 61.00 61.43 1l3h s PRO 21 Cb -0.17 -1.62 0.02 0.00 0.04 0.00 0.00 34.50 32.77 1l3h s PRO 21 CO 0.13 -3.48 0.31 -1.59 0.04 0.00 0.00 177.00 172.42 1l3h s LYS 22 N -5.21 0.78 0.12 4.56 0.00 -1.26 -4.82 119.74 113.91 1l3h s LYS 22 Ca 0.69 -0.42 0.04 0.00 0.00 0.00 0.00 55.97 56.28 1l3h s LYS 22 Cb -0.13 0.34 -0.04 0.00 0.00 0.00 0.00 37.83 38.00 1l3h s LYS 22 CO 0.57 -0.24 -0.09 0.00 0.00 0.00 0.00 175.35 175.58 1l3h n ASP 24 N 0.06 1.55 0.01 0.00 5.75 0.33 -4.60 116.55 119.65 1l3h n ASP 24 Ca -0.12 -2.21 0.02 0.00 -0.01 0.00 0.00 54.79 52.47 1l3h n ASP 24 Cb 0.60 -0.51 0.11 0.00 -1.03 0.00 0.00 41.12 40.30 1l3h n ASP 24 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1l3h n GLU 25 N -2.47 0.01 -0.30 0.11 0.00 -1.26 -1.00 120.64 115.73 1l3h n GLU 25 Ca 0.15 0.45 0.12 0.00 0.00 0.00 0.00 57.16 57.88 1l3h n GLU 25 Cb 0.55 -1.54 0.28 0.00 0.00 0.00 0.00 31.44 30.73 1l3h n GLU 25 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1l3h n ASN 26 N -1.56 3.76 0.00 -1.84 3.02 -1.26 -4.96 115.26 112.41 1l3h n ASN 26 Ca 0.01 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 1l3h n ASN 26 Cb 0.04 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 1l3h n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1l3h n GLY 27 N 1.56 0.20 3.94 7.41 0.00 -0.17 -4.99 105.19 113.13 1l3h n GLY 27 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 1l3h n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1l3h s ASN 28 N -2.11 5.71 0.24 1.61 0.01 -1.26 -4.42 114.94 114.73 1l3h s ASN 28 Ca 0.00 0.46 -0.31 0.00 -0.71 0.00 0.00 52.86 52.30 1l3h s ASN 28 Cb 0.00 -1.59 -0.11 0.00 0.41 0.00 0.00 41.25 39.96 1l3h s ASN 28 CO 0.00 -0.87 1.62 -0.31 -1.51 0.00 0.00 177.10 176.03 1l3h s TYR 29 N -2.75 2.87 0.35 2.20 1.51 -0.18 -0.51 117.35 120.85 1l3h s TYR 29 Ca 0.51 0.63 -0.28 0.00 -1.01 0.00 0.00 57.07 56.91 1l3h s TYR 29 Cb -0.10 -4.05 -0.12 0.00 -0.11 0.00 0.00 41.96 37.58 1l3h s TYR 29 CO 0.41 -3.74 1.44 1.28 -1.11 0.00 0.00 175.55 173.83 1l3h n LEU 30 N 3.07 4.34 0.23 -1.29 4.77 0.00 -4.62 117.00 123.50 1l3h n LEU 30 Ca 0.12 1.21 0.16 0.00 -0.03 0.00 0.00 56.01 57.46 1l3h n LEU 30 Cb 0.37 -1.57 0.66 0.00 -2.33 0.00 0.00 43.42 40.55 1l3h n LEU 30 CO 0.63 -0.04 1.13 -0.65 -1.33 0.00 0.00 177.39 177.13 1l3h h PRO 31 N 3.05 0.00 -5.88 3.23 0.11 -1.89 -3.38 132.00 127.24 1l3h h PRO 31 Ca -0.49 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 64.95 1l3h h PRO 31 Cb 1.25 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.12 1l3h h PRO 31 CO 0.65 0.00 -0.76 -1.17 -0.21 0.00 0.00 178.00 176.51 1l3h s LEU 32 N -6.17 2.74 0.11 2.35 2.96 -1.26 -0.46 118.68 118.95 1l3h s LEU 32 Ca -0.03 -0.25 0.07 0.00 -0.22 0.00 0.00 54.13 53.71 1l3h s LEU 32 Cb 0.10 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 1l3h s LEU 32 CO 0.33 0.27 -0.18 -1.10 -1.32 0.00 0.00 176.35 174.34 1l3h s GLN 33 N -0.26 1.08 -0.05 1.98 -1.52 -0.12 -4.86 119.66 115.90 1l3h s GLN 33 Ca 0.02 -1.18 -0.02 0.00 -1.95 0.00 0.00 55.36 52.22 1l3h s GLN 33 Cb -0.13 -1.19 0.03 0.00 -0.22 0.00 0.00 33.01 31.50 1l3h s GLN 33 CO 0.03 0.26 0.08 0.00 -0.25 0.00 0.00 175.29 175.41 1l3h n TYR 35 N 5.26 3.78 -0.31 0.00 4.19 0.59 -4.54 117.16 126.12 1l3h n TYR 35 Ca -0.04 -2.94 0.09 0.00 3.31 0.00 0.00 57.90 58.31 1l3h n TYR 35 Cb 0.50 -2.44 0.20 0.00 0.49 0.00 0.00 39.34 38.09 1l3h n TYR 35 CO 0.00 0.00 0.00 0.78 0.91 0.00 0.00 176.86 178.55 1l3h h GLY 36 N 10.16 0.95 2.00 2.98 0.00 -1.80 -0.93 103.07 116.42 1l3h h GLY 36 Ca 0.49 0.19 0.00 0.00 0.00 0.00 0.00 47.33 48.01 1l3h h GLY 36 CO 1.70 -0.40 0.00 -1.14 0.00 0.00 0.00 176.54 176.71 1l3h n SER 37 N -5.48 0.53 -0.02 0.19 3.41 -0.50 -1.61 113.62 110.14 1l3h n SER 37 Ca 0.18 0.74 0.01 0.00 -0.26 0.00 0.00 58.87 59.53 1l3h n SER 37 Cb 0.58 -0.81 -0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1l3h n SER 37 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1l3h n ILE 38 N -2.20 0.00 -0.44 -1.33 -5.35 -0.43 -5.00 119.36 104.60 1l3h n ILE 38 Ca -0.01 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 1l3h n ILE 38 Cb 0.05 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.96 1l3h n ILE 38 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1l3h n GLY 39 N 0.74 1.33 3.63 3.28 0.00 -0.63 -4.98 105.19 108.56 1l3h n GLY 39 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1l3h n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1l3h s TYR 40 N -3.15 3.22 0.22 1.61 1.51 -1.23 -3.44 117.35 116.09 1l3h s TYR 40 Ca 0.00 1.05 0.05 0.00 -1.01 0.00 0.00 57.07 57.17 1l3h s TYR 40 Cb 0.00 -3.35 -0.03 0.00 -0.11 0.00 0.00 41.96 38.47 1l3h s TYR 40 CO 0.00 -0.60 0.28 0.00 -1.11 0.00 0.00 175.55 174.12 1l3h s TRP 42 N -1.95 0.27 0.39 0.00 -2.14 0.04 -0.53 118.94 115.02 1l3h s TRP 42 Ca 0.33 -0.66 -0.11 0.00 2.66 0.00 0.00 56.10 58.32 1l3h s TRP 42 Cb -0.09 -0.06 -0.07 0.00 -3.10 0.00 0.00 33.47 30.15 1l3h s TRP 42 CO 0.27 -0.62 0.76 0.00 -2.66 0.00 0.00 176.95 174.70 1l3h s VAL 44 N -2.33 0.83 0.68 0.00 -7.23 0.39 -0.25 120.40 112.48 1l3h s VAL 44 Ca 0.51 -1.75 -0.11 0.00 -1.81 0.00 0.00 61.98 58.82 1l3h s VAL 44 Cb -0.10 -1.47 -0.00 0.00 0.56 0.00 0.00 36.38 35.37 1l3h s VAL 44 CO 0.30 -0.69 1.08 -0.36 -0.31 0.00 0.00 175.10 175.12 1l3h s PHE 45 N -2.92 3.40 0.61 2.82 0.08 0.25 -4.34 117.98 117.89 1l3h s PHE 45 Ca 0.08 1.10 0.31 0.00 0.12 0.00 0.00 56.93 58.54 1l3h s PHE 45 Cb 0.00 -2.97 1.71 0.00 -0.57 0.00 0.00 43.02 41.20 1l3h s PHE 45 CO -0.02 -1.04 2.07 -1.35 -0.10 0.00 0.00 175.22 174.78 1l3h h PRO 46 N -0.55 0.00 -0.00 0.24 0.11 -1.83 0.86 132.00 130.82 1l3h h PRO 46 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1l3h h PRO 46 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1l3h h PRO 46 CO 0.63 0.00 -0.06 0.27 -0.21 0.00 0.00 178.00 178.64 1l3h n ASN 47 N -3.56 0.10 0.00 -2.05 6.94 -1.26 -1.01 115.26 114.42 1l3h n ASN 47 Ca 0.01 0.08 0.00 0.00 -0.02 0.00 0.00 54.58 54.65 1l3h n ASN 47 Cb 0.35 -0.31 0.00 0.00 -2.36 0.00 0.00 39.78 37.46 1l3h n ASN 47 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1l3h n GLY 48 N 1.40 0.55 3.73 4.83 0.00 0.30 -4.91 105.19 111.09 1l3h n GLY 48 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1l3h n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1l3h s THR 49 N -2.23 3.47 0.42 2.61 2.01 -1.25 -4.76 115.64 115.89 1l3h s THR 49 Ca 0.00 1.13 -0.26 0.00 0.31 0.00 0.00 61.69 62.86 1l3h s THR 49 Cb 0.00 -3.72 -0.09 0.00 0.01 0.00 0.00 72.50 68.70 1l3h s THR 49 CO 0.00 0.13 1.41 -0.70 -0.69 0.00 0.00 174.62 174.77 1l3h s GLU 50 N 0.46 3.89 -0.35 4.92 -6.30 -1.26 -0.59 118.70 119.48 1l3h s GLU 50 Ca 0.59 2.39 -0.27 0.00 -2.50 0.00 0.00 54.97 55.17 1l3h s GLU 50 Cb -0.34 -2.78 0.01 0.00 0.00 0.00 0.00 34.13 31.02 1l3h s GLU 50 CO 0.34 -0.64 0.99 0.08 0.02 0.00 0.00 175.26 176.04 1l3h s VAL 51 N -1.19 4.55 0.11 3.70 1.01 0.65 -4.81 120.40 124.42 1l3h s VAL 51 Ca 0.57 1.44 -0.35 0.00 0.00 0.00 0.00 61.98 63.64 1l3h s VAL 51 Cb -0.43 -4.36 -0.17 0.00 0.00 0.00 0.00 36.38 31.41 1l3h s VAL 51 CO 0.56 -0.50 1.04 -2.65 0.00 0.00 0.00 175.10 173.55 1l3h n PRO 52 N 6.81 0.56 -1.29 2.72 -0.02 -1.26 -2.09 135.00 140.42 1l3h n PRO 52 Ca 0.09 0.20 -0.11 0.00 -2.02 0.00 0.00 63.50 61.67 1l3h n PRO 52 Cb 0.48 -1.63 -0.05 0.00 -0.02 0.00 0.00 33.50 32.28 1l3h n PRO 52 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1l3h n ASN 53 N 1.89 -5.61 0.20 2.55 3.02 -1.26 -4.87 115.26 111.17 1l3h n ASN 53 Ca 0.18 0.26 0.08 0.00 -0.03 0.00 0.00 54.58 55.06 1l3h n ASN 53 Cb 0.18 -4.12 0.30 0.00 -0.61 0.00 0.00 39.78 35.54 1l3h n ASN 53 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1l3h h THR 54 N 0.00 0.63 -1.81 3.41 1.35 -1.79 -3.46 112.91 111.24 1l3h h THR 54 Ca -0.22 -1.46 -0.60 0.00 -0.55 0.00 0.00 66.41 63.58 1l3h h THR 54 Cb 1.16 1.98 -0.00 0.00 -1.73 0.00 0.00 68.15 69.56 1l3h h THR 54 CO 0.32 0.30 1.46 -2.11 -0.25 0.00 0.00 175.52 175.23 1l3h n ARG 55 N -3.33 1.82 -3.79 4.72 0.00 -1.26 -4.58 116.66 110.24 1l3h n ARG 55 Ca 0.01 0.51 -0.12 0.00 -0.00 0.00 0.00 57.85 58.25 1l3h n ARG 55 Cb 0.53 -3.06 -0.08 0.00 -0.00 0.00 0.00 32.46 29.85 1l3h n ARG 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1l3h s SER 56 N 7.87 -0.09 -0.01 2.89 0.15 0.31 -4.97 113.70 119.87 1l3h s SER 56 Ca 1.02 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 57.49 1l3h s SER 56 Cb -0.45 0.32 0.01 0.00 -1.71 0.00 0.00 66.02 64.19 1l3h s SER 56 CO 0.39 -0.55 0.92 -1.14 1.20 0.00 0.00 173.24 174.06 1l3h n ARG 57 N 0.81 1.03 -3.83 5.44 0.63 -1.26 -0.21 116.66 119.26 1l3h n ARG 57 Ca -0.20 -0.05 -0.08 0.00 -0.92 0.00 0.00 57.85 56.61 1l3h n ARG 57 Cb 0.58 -1.11 -0.02 0.00 0.45 0.00 0.00 32.46 32.36 1l3h n ARG 57 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1l3h s GLY 58 N 0.78 -0.09 1.00 5.14 0.00 -1.22 -4.74 107.32 108.19 1l3h s GLY 58 Ca 0.01 -0.28 -0.12 0.00 0.00 0.00 0.00 44.72 44.33 1l3h s GLY 58 CO 0.00 -0.11 1.08 0.30 0.00 0.00 0.00 173.10 174.37 1l3h s HIS 59 N -3.91 1.75 0.18 1.90 3.76 -1.26 -4.26 115.29 113.45 1l3h s HIS 59 Ca 0.11 1.38 -0.15 0.00 -0.15 0.00 0.00 55.06 56.24 1l3h s HIS 59 Cb -0.05 -3.19 0.02 0.00 1.11 0.00 0.00 32.58 30.47 1l3h s HIS 59 CO 0.05 -3.08 0.44 -3.38 -0.85 0.00 0.00 174.74 167.92 1l3h s HIS 60 N -2.68 0.01 -1.49 1.40 -3.43 -1.26 -5.08 115.29 102.76 1l3h s HIS 60 Ca 0.66 -0.35 -0.10 0.00 -0.80 0.00 0.00 55.06 54.47 1l3h s HIS 60 Cb -0.22 0.25 0.01 0.00 -1.43 0.00 0.00 32.58 31.19 1l3h s HIS 60 CO 0.60 -0.83 2.58 0.09 -2.00 0.00 0.00 174.74 175.18 1l3h n ASN 61 N -0.29 7.33 -4.59 7.38 3.02 -1.26 -4.93 115.26 121.92 1l3h n ASN 61 Ca -0.10 -2.81 -0.42 0.00 -0.03 0.00 0.00 54.58 51.21 1l3h n ASN 61 Cb 0.63 -1.52 -0.03 0.00 -0.61 0.00 0.00 39.78 38.25 1l3h n ASN 61 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1l3h n SER 63 N 12.14 0.82 -0.23 0.00 2.88 -1.26 -4.83 113.62 123.14 1l3h n SER 63 Ca 0.30 -2.05 0.01 0.00 -1.33 0.00 0.00 58.87 55.80 1l3h n SER 63 Cb 0.47 -0.29 0.02 0.00 -0.75 0.00 0.00 64.21 63.66 1l3h n SER 63 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1l3h n GLU 64 N 0.35 0.49 0.00 -1.46 0.00 -1.26 -5.24 120.64 113.52 1l3h n GLU 64 Ca 0.05 -1.13 0.00 0.00 0.00 0.00 0.00 57.16 56.08 1l3h n GLU 64 Cb 1.05 -0.70 0.00 0.00 0.00 0.00 0.00 31.44 31.79 1l3h n GLU 64 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56