#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 0.76 0.46 1.47 -4.23 -1.26 -5.01 115.64 107.83 1l3h s THR 2 Ca 0.00 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.74 1l3h s THR 2 Cb 0.00 -2.50 0.42 0.00 1.34 0.00 0.00 72.50 71.77 1l3h s THR 2 CO 0.00 0.00 1.85 0.50 -0.54 0.00 0.00 174.62 176.43 1l3h h LYS 3 N 1.93 0.25 0.93 3.99 3.64 -1.98 0.30 116.57 125.63 1l3h h LYS 3 Ca -0.37 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 58.95 1l3h h LYS 3 Cb 1.26 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1l3h h LYS 3 CO 0.61 0.17 -0.45 0.00 -2.27 0.00 0.00 179.45 177.51 1l3h h GLN 5 N -1.32 0.91 0.82 0.00 7.50 -1.54 0.10 115.11 121.57 1l3h h GLN 5 Ca -0.13 -0.05 -0.04 0.00 0.50 0.00 0.00 58.65 58.93 1l3h h GLN 5 Cb 0.96 -0.20 0.01 0.00 0.05 0.00 0.00 27.48 28.29 1l3h h GLN 5 CO 0.21 0.60 -0.39 0.93 -1.50 0.00 0.00 178.83 178.68 1l3h h GLU 6 N 0.93 -1.06 -0.93 1.46 5.08 -0.95 -0.37 114.58 118.76 1l3h h GLU 6 Ca 0.44 0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.89 1l3h h GLU 6 Cb 0.42 0.24 -0.05 0.00 0.50 0.00 0.00 28.75 29.86 1l3h h GLU 6 CO -0.20 -0.70 0.61 0.93 -1.00 0.00 0.00 179.01 178.65 1l3h h GLU 7 N -1.12 1.19 0.00 2.33 5.08 -0.42 0.20 114.58 121.84 1l3h h GLU 7 Ca -0.11 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 1l3h h GLU 7 Cb 0.84 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1l3h h GLU 7 CO 0.18 0.79 -0.37 0.28 -1.00 0.00 0.00 179.01 178.89 1l3h h VAL 8 N 1.23 1.09 -0.02 3.13 2.07 -0.83 0.17 116.25 123.09 1l3h h VAL 8 Ca 0.35 -1.36 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 1l3h h VAL 8 Cb -0.10 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1l3h h VAL 8 CO -0.09 0.37 -0.12 0.28 0.02 0.00 0.00 177.57 178.03 1l3h h SER 9 N 0.00 0.15 0.37 0.57 0.02 -0.28 -3.38 113.55 111.00 1l3h h SER 9 Ca -0.00 -0.66 -0.18 0.00 -0.84 0.00 0.00 61.79 60.11 1l3h h SER 9 Cb 0.74 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 1l3h h SER 9 CO 0.05 0.79 -0.73 0.45 -1.14 0.00 0.00 176.83 176.25 1l3h h HIS 10 N -0.48 0.41 -3.05 3.45 -0.00 -0.46 -3.37 115.15 111.64 1l3h h HIS 10 Ca -0.01 -0.18 -0.73 0.00 -0.00 0.00 0.00 60.37 59.45 1l3h h HIS 10 Cb 0.79 -0.06 -0.22 0.00 -0.00 0.00 0.00 27.41 27.92 1l3h h HIS 10 CO 0.15 0.92 -0.08 0.42 -0.00 0.00 0.00 177.93 179.35 1l3h s ILE 11 N -3.56 5.03 1.00 2.45 1.01 0.58 -5.08 121.20 122.63 1l3h s ILE 11 Ca -0.04 -1.17 -0.15 0.00 0.00 0.00 0.00 60.65 59.29 1l3h s ILE 11 Cb 0.11 -4.37 0.19 0.00 0.01 0.00 0.00 42.46 38.40 1l3h s ILE 11 CO 0.82 -0.93 1.17 -2.16 0.00 0.00 0.00 174.94 173.83 1l3h s PRO 12 N 2.12 0.41 0.66 2.79 0.04 -1.26 -4.55 135.00 135.21 1l3h s PRO 12 Ca 0.07 0.07 0.36 0.00 0.04 0.00 0.00 61.00 61.55 1l3h s PRO 12 Cb -0.26 -1.77 1.97 0.00 0.04 0.00 0.00 34.50 34.48 1l3h s PRO 12 CO 0.05 -2.65 2.12 0.00 0.04 0.00 0.00 177.00 176.56 1l3h h ALA 13 N -1.82 1.22 -1.34 8.56 0.00 -1.95 -3.12 119.26 120.81 1l3h h ALA 13 Ca -0.48 -0.00 -0.74 0.00 0.00 0.00 0.00 54.91 53.69 1l3h h ALA 13 Cb 1.30 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.94 1l3h h ALA 13 CO 0.50 -0.20 1.68 0.28 0.00 0.00 0.00 179.25 181.52 1l3h n VAL 14 N -3.01 4.23 -3.32 0.00 0.31 -1.26 -4.90 118.33 110.38 1l3h n VAL 14 Ca -0.02 -4.52 -0.34 0.00 -0.01 0.00 0.00 64.34 59.44 1l3h n VAL 14 Cb 0.25 -2.43 -0.05 0.00 -0.91 0.00 0.00 33.84 30.70 1l3h n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1l3h n HIS 15 N 5.40 3.26 -1.66 3.52 1.44 -1.18 -5.07 115.22 120.93 1l3h n HIS 15 Ca 0.39 -3.62 -0.44 0.00 -2.01 0.00 0.00 57.72 52.05 1l3h n HIS 15 Cb 0.41 -0.89 -0.03 0.00 0.12 0.00 0.00 29.99 29.60 1l3h n HIS 15 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1l3h n PRO 16 N 1.26 2.66 -0.62 -1.40 -0.04 -1.26 -1.38 135.00 134.22 1l3h n PRO 16 Ca 0.27 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.70 1l3h n PRO 16 Cb 0.37 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 30.90 1l3h n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1l3h n GLY 17 N 4.60 0.00 3.76 0.55 0.00 -1.26 -4.92 105.19 107.92 1l3h n GLY 17 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 1l3h n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1l3h s SER 18 N -1.34 5.15 0.42 1.61 0.01 -0.48 -4.70 113.70 114.37 1l3h s SER 18 Ca 0.00 -0.40 -0.22 0.00 1.31 0.00 0.00 55.95 56.64 1l3h s SER 18 Cb 0.00 -1.19 -0.10 0.00 0.21 0.00 0.00 66.02 64.94 1l3h s SER 18 CO 0.00 -0.02 0.99 0.12 0.41 0.00 0.00 173.24 174.74 1l3h s PHE 19 N -2.20 3.27 -0.04 2.43 5.36 -1.26 -4.90 117.98 120.64 1l3h s PHE 19 Ca 0.32 1.63 -0.01 0.00 -0.96 0.00 0.00 56.93 57.92 1l3h s PHE 19 Cb -0.07 -2.98 0.03 0.00 -0.34 0.00 0.00 43.02 39.66 1l3h s PHE 19 CO 0.23 -0.37 0.02 0.50 -1.46 0.00 0.00 175.22 174.14 1l3h s ARG 20 N -2.90 0.21 1.11 10.12 3.52 -1.26 -5.03 118.95 124.71 1l3h s ARG 20 Ca 0.61 0.19 -0.16 0.00 -0.13 0.00 0.00 55.73 56.23 1l3h s ARG 20 Cb -0.15 -0.56 0.24 0.00 -1.56 0.00 0.00 34.95 32.93 1l3h s ARG 20 CO 0.19 -0.23 1.11 -1.25 -0.81 0.00 0.00 175.30 174.32 1l3h s PRO 21 N 1.55 -0.46 0.01 5.12 0.04 -1.26 -4.88 135.00 135.13 1l3h s PRO 21 Ca -0.02 0.15 0.02 0.00 0.04 0.00 0.00 61.00 61.19 1l3h s PRO 21 Cb -0.13 -1.67 -0.01 0.00 0.04 0.00 0.00 34.50 32.73 1l3h s PRO 21 CO -0.03 -3.25 -0.07 0.15 0.04 0.00 0.00 177.00 173.85 1l3h s LYS 22 N -5.24 0.51 0.14 4.56 3.01 -1.26 -4.82 119.74 116.64 1l3h s LYS 22 Ca 0.69 -0.43 0.00 0.00 -1.01 0.00 0.00 55.97 55.21 1l3h s LYS 22 Cb -0.13 -0.42 -0.04 0.00 -1.01 0.00 0.00 37.83 36.22 1l3h s LYS 22 CO 0.56 0.10 0.02 0.00 0.51 0.00 0.00 175.35 176.55 1l3h s ASP 24 N -3.09 4.00 0.12 0.00 1.47 -1.05 -4.65 116.67 113.48 1l3h s ASP 24 Ca 0.22 -1.66 0.12 0.00 1.18 0.00 0.00 52.55 52.41 1l3h s ASP 24 Cb 0.07 0.52 0.56 0.00 -0.34 0.00 0.00 42.92 43.74 1l3h s ASP 24 CO 0.01 -0.86 1.36 -1.84 0.68 0.00 0.00 175.17 174.52 1l3h n GLU 25 N -1.23 0.06 -0.02 2.11 0.00 -1.26 -0.69 120.64 119.62 1l3h n GLU 25 Ca -0.18 0.49 0.13 0.00 0.00 0.00 0.00 57.16 57.60 1l3h n GLU 25 Cb 0.67 -1.68 0.57 0.00 0.00 0.00 0.00 31.44 31.00 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 -1.81 1.17 0.00 -1.84 3.02 -1.26 -4.94 115.26 109.60 1l3h n ASN 26 Ca 0.00 -1.46 0.00 0.00 -0.03 0.00 0.00 54.58 53.10 1l3h n ASN 26 Cb 0.07 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 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 1.11 1.00 3.92 7.41 0.00 0.14 -5.05 105.19 113.71 1l3h n GLY 27 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1l3h n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1l3h s ASN 28 N -3.05 5.55 0.16 1.61 4.22 -1.26 -4.49 114.94 117.69 1l3h s ASN 28 Ca 0.00 0.66 -0.31 0.00 -2.14 0.00 0.00 52.86 51.07 1l3h s ASN 28 Cb 0.00 -1.64 -0.10 0.00 1.28 0.00 0.00 41.25 40.79 1l3h s ASN 28 CO 0.00 -1.08 1.54 -0.31 -2.04 0.00 0.00 177.10 175.21 1l3h s TYR 29 N -2.98 3.08 0.25 1.54 1.51 -0.24 -2.53 117.35 117.98 1l3h s TYR 29 Ca 0.54 0.68 -0.31 0.00 -1.01 0.00 0.00 57.07 56.98 1l3h s TYR 29 Cb -0.11 -3.90 -0.13 0.00 -0.11 0.00 0.00 41.96 37.72 1l3h s TYR 29 CO 0.45 -3.27 1.41 1.28 -1.11 0.00 0.00 175.55 174.30 1l3h n LEU 30 N 3.87 3.24 0.00 -1.29 4.77 0.35 -4.55 117.00 123.39 1l3h n LEU 30 Ca 0.13 1.15 0.05 0.00 -0.03 0.00 0.00 56.01 57.31 1l3h n LEU 30 Cb 0.39 -1.45 0.24 0.00 -2.33 0.00 0.00 43.42 40.27 1l3h n LEU 30 CO 0.61 -0.45 0.62 -0.81 -1.33 0.00 0.00 177.39 176.03 1l3h n PRO 31 N 1.88 0.10 -4.92 3.23 -0.04 -1.26 -4.34 135.00 129.65 1l3h n PRO 31 Ca 0.11 0.23 -0.33 0.00 -0.04 0.00 0.00 63.50 63.47 1l3h n PRO 31 Cb 0.32 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.14 1l3h n PRO 31 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1l3h s LEU 32 N -2.70 2.62 0.10 1.53 2.96 -1.26 -0.22 118.68 121.70 1l3h s LEU 32 Ca 0.08 -0.29 0.05 0.00 -0.22 0.00 0.00 54.13 53.75 1l3h s LEU 32 Cb 0.07 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.18 1l3h s LEU 32 CO 0.16 0.27 -0.13 -1.10 -1.32 0.00 0.00 176.35 174.23 1l3h s GLN 33 N -0.29 0.90 0.04 1.98 -1.52 0.01 -4.87 119.66 115.92 1l3h s GLN 33 Ca 0.02 -1.11 -0.01 0.00 -1.95 0.00 0.00 55.36 52.30 1l3h s GLN 33 Cb -0.13 -0.78 -0.03 0.00 -0.22 0.00 0.00 33.01 31.85 1l3h s GLN 33 CO 0.03 0.15 -0.01 0.00 -0.25 0.00 0.00 175.29 175.21 1l3h s TYR 35 N -3.15 0.29 0.28 0.00 5.04 0.19 -4.75 117.35 115.25 1l3h s TYR 35 Ca -0.00 -0.74 0.01 0.00 -2.44 0.00 0.00 57.07 53.89 1l3h s TYR 35 Cb 0.02 -0.85 0.56 0.00 0.35 0.00 0.00 41.96 42.05 1l3h s TYR 35 CO -0.07 -0.75 1.80 0.78 -1.34 0.00 0.00 175.55 175.97 1l3h h GLY 36 N 8.41 1.56 2.00 8.97 0.00 -1.91 -2.52 103.07 119.58 1l3h h GLY 36 Ca -0.19 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1l3h h GLY 36 CO 0.40 0.06 0.00 1.76 0.00 0.00 0.00 176.54 178.77 1l3h h SER 37 N 0.83 0.00 -0.01 0.19 0.02 -1.91 -0.18 113.55 112.48 1l3h h SER 37 Ca 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 1l3h h SER 37 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1l3h h SER 37 CO -0.31 0.00 -0.09 2.30 -1.14 0.00 0.00 176.83 177.59 1l3h n ILE 38 N -2.75 0.00 -1.41 3.27 -5.35 -1.02 -5.02 119.36 107.08 1l3h n ILE 38 Ca -0.02 -0.46 -0.12 0.00 -0.27 0.00 0.00 62.75 61.89 1l3h n ILE 38 Cb 0.11 1.13 -0.05 0.00 -1.74 0.00 0.00 39.64 39.09 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 0.66 1.20 3.53 3.28 0.00 -0.08 -5.01 105.19 108.76 1l3h n GLY 39 Ca 0.04 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.46 2.40 0.13 1.61 1.51 -1.15 -4.26 117.35 115.13 1l3h s TYR 40 Ca 0.00 -0.36 0.04 0.00 -1.01 0.00 0.00 57.07 55.74 1l3h s TYR 40 Cb 0.00 -1.14 -0.04 0.00 -0.11 0.00 0.00 41.96 40.66 1l3h s TYR 40 CO 0.00 0.66 -0.10 0.00 -1.11 0.00 0.00 175.55 175.00 1l3h s TRP 42 N -3.20 0.27 0.33 0.00 -2.14 0.07 -0.47 118.94 113.80 1l3h s TRP 42 Ca 0.14 -0.71 -0.10 0.00 2.66 0.00 0.00 56.10 58.09 1l3h s TRP 42 Cb 0.02 -0.13 -0.07 0.00 -3.10 0.00 0.00 33.47 30.20 1l3h s TRP 42 CO -0.00 -0.54 0.67 0.00 -2.66 0.00 0.00 176.95 174.42 1l3h s VAL 44 N -2.13 1.30 0.80 0.00 -7.23 0.70 -0.38 120.40 113.46 1l3h s VAL 44 Ca 0.49 -1.70 -0.11 0.00 -1.81 0.00 0.00 61.98 58.85 1l3h s VAL 44 Cb -0.11 -1.51 0.07 0.00 0.56 0.00 0.00 36.38 35.40 1l3h s VAL 44 CO 0.26 -0.42 1.10 -0.36 -0.31 0.00 0.00 175.10 175.37 1l3h s PHE 45 N -2.14 2.81 0.56 2.82 0.08 0.31 -4.47 117.98 117.95 1l3h s PHE 45 Ca 0.08 1.15 0.31 0.00 0.12 0.00 0.00 56.93 58.59 1l3h s PHE 45 Cb -0.05 -3.13 1.47 0.00 -0.57 0.00 0.00 43.02 40.74 1l3h s PHE 45 CO 0.03 -1.80 1.87 -1.35 -0.10 0.00 0.00 175.22 173.87 1l3h h PRO 46 N -1.11 0.00 0.00 0.24 0.11 -1.80 0.13 132.00 129.57 1l3h h PRO 46 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1l3h h PRO 46 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1l3h h PRO 46 CO 0.59 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.65 1l3h n ASN 47 N -4.05 0.00 0.00 -2.05 0.23 -1.26 -1.08 115.26 107.05 1l3h n ASN 47 Ca 0.16 0.06 0.00 0.00 -0.53 0.00 0.00 54.58 54.27 1l3h n ASN 47 Cb 0.91 -0.35 0.00 0.00 -2.08 0.00 0.00 39.78 38.26 1l3h n ASN 47 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1l3h n GLY 48 N 1.16 0.58 3.72 4.83 0.00 0.45 -4.91 105.19 111.02 1l3h n GLY 48 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.31 3.83 0.44 2.61 2.01 -1.26 -4.76 115.64 116.21 1l3h s THR 49 Ca 0.00 1.38 -0.25 0.00 0.31 0.00 0.00 61.69 63.13 1l3h s THR 49 Cb 0.00 -3.89 -0.09 0.00 0.01 0.00 0.00 72.50 68.54 1l3h s THR 49 CO 0.00 0.15 1.40 1.21 -0.69 0.00 0.00 174.62 176.69 1l3h n GLU 50 N 3.45 2.21 -2.73 4.92 2.13 -1.26 -0.53 120.64 128.83 1l3h n GLU 50 Ca 0.08 0.79 -0.43 0.00 0.66 0.00 0.00 57.16 58.25 1l3h n GLU 50 Cb 0.45 -2.58 -0.03 0.00 0.27 0.00 0.00 31.44 29.55 1l3h n GLU 50 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1l3h s VAL 51 N -1.19 4.36 0.35 6.31 1.01 0.49 -4.79 120.40 126.95 1l3h s VAL 51 Ca 0.61 0.94 -0.25 0.00 0.00 0.00 0.00 61.98 63.28 1l3h s VAL 51 Cb -0.46 -4.50 -0.13 0.00 0.00 0.00 0.00 36.38 31.28 1l3h s VAL 51 CO 0.58 -0.90 0.76 -2.65 0.00 0.00 0.00 175.10 172.88 1l3h n PRO 52 N 7.44 0.86 -0.94 2.72 -0.02 -1.26 -2.56 135.00 141.24 1l3h n PRO 52 Ca 0.09 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1l3h n PRO 52 Cb 0.49 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 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 1.22 -5.05 0.17 2.55 3.02 -1.26 -4.84 115.26 111.08 1l3h n ASN 53 Ca 0.11 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.70 1l3h n ASN 53 Cb 0.35 -3.20 0.30 0.00 -0.61 0.00 0.00 39.78 36.62 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 1.07 -0.04 3.41 1.35 -1.86 -3.45 112.91 113.39 1l3h h THR 54 Ca 0.00 -1.64 -0.39 0.00 -0.55 0.00 0.00 66.41 63.83 1l3h h THR 54 Cb 0.82 1.95 -0.10 0.00 -1.73 0.00 0.00 68.15 69.08 1l3h h THR 54 CO 0.00 0.43 1.87 -2.11 -0.25 0.00 0.00 175.52 175.46 1l3h n ARG 55 N -3.67 0.04 -4.37 4.72 1.85 -1.25 -4.66 116.66 109.32 1l3h n ARG 55 Ca -0.01 -0.04 -0.19 0.00 -1.00 0.00 0.00 57.85 56.62 1l3h n ARG 55 Cb 0.52 -1.30 -0.10 0.00 -1.05 0.00 0.00 32.46 30.53 1l3h n ARG 55 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1l3h s SER 56 N 3.21 2.40 0.00 2.89 0.01 0.39 -4.95 113.70 117.64 1l3h s SER 56 Ca 1.31 -1.14 0.01 0.00 1.31 0.00 0.00 55.95 57.44 1l3h s SER 56 Cb -0.92 -0.10 0.08 0.00 0.21 0.00 0.00 66.02 65.29 1l3h s SER 56 CO 0.52 -0.34 0.54 0.54 0.41 0.00 0.00 173.24 174.91 1l3h n ARG 57 N -0.46 0.46 -3.97 12.44 3.00 -1.26 -0.45 116.66 126.42 1l3h n ARG 57 Ca -0.06 0.00 0.02 0.00 -0.01 0.00 0.00 57.85 57.80 1l3h n ARG 57 Cb 0.63 -1.05 0.01 0.00 0.00 0.00 0.00 32.46 32.05 1l3h n ARG 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1l3h n GLY 58 N -0.04 0.24 3.61 -0.13 0.00 -1.26 -4.75 105.19 102.86 1l3h n GLY 58 Ca 0.01 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 1l3h n GLY 58 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1l3h s HIS 59 N -2.04 1.79 0.22 1.61 3.76 -1.26 -4.25 115.29 115.12 1l3h s HIS 59 Ca 0.29 1.22 -0.16 0.00 -0.15 0.00 0.00 55.06 56.26 1l3h s HIS 59 Cb -0.01 -3.18 0.02 0.00 1.11 0.00 0.00 32.58 30.52 1l3h s HIS 59 CO -0.00 -3.18 0.54 -3.38 -0.85 0.00 0.00 174.74 167.86 1l3h s HIS 60 N -2.72 0.02 -0.55 1.40 -3.43 -1.26 -5.06 115.29 103.69 1l3h s HIS 60 Ca 0.66 -0.39 -0.07 0.00 -0.80 0.00 0.00 55.06 54.46 1l3h s HIS 60 Cb -0.22 0.37 -0.19 0.00 -1.43 0.00 0.00 32.58 31.12 1l3h s HIS 60 CO 0.60 -0.99 3.21 0.09 -2.00 0.00 0.00 174.74 175.65 1l3h n ASN 61 N -0.37 6.08 -4.55 7.38 4.13 -1.26 -4.92 115.26 121.75 1l3h n ASN 61 Ca -0.07 -2.46 -0.26 0.00 1.68 0.00 0.00 54.58 53.48 1l3h n ASN 61 Cb 0.62 -1.38 -0.05 0.00 -1.54 0.00 0.00 39.78 37.43 1l3h n ASN 61 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1l3h n SER 63 N 17.00 4.70 -0.28 0.00 7.64 -1.26 -4.32 113.62 137.10 1l3h n SER 63 Ca 0.41 -2.86 0.08 0.00 1.01 0.00 0.00 58.87 57.51 1l3h n SER 63 Cb 0.50 -0.83 0.17 0.00 -1.01 0.00 0.00 64.21 63.03 1l3h n SER 63 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1l3h n GLU 64 N 0.04 1.41 0.00 1.43 4.71 -1.26 -5.17 120.64 121.80 1l3h n GLU 64 Ca 0.28 -2.85 0.00 0.00 -0.01 0.00 0.00 57.16 54.58 1l3h n GLU 64 Cb 0.83 -1.55 0.00 0.00 -1.01 0.00 0.00 31.44 29.71 1l3h n GLU 64 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09