#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 0.08 0.40 -5.08 -4.23 -1.26 -4.98 115.64 100.57 1l3h s THR 2 Ca 0.00 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.65 1l3h s THR 2 Cb 0.00 -2.52 0.35 0.00 1.34 0.00 0.00 72.50 71.67 1l3h s THR 2 CO 0.00 0.00 1.89 0.50 -0.54 0.00 0.00 174.62 176.47 1l3h h LYS 3 N 2.51 0.50 0.70 3.99 3.64 -1.99 0.20 116.57 126.12 1l3h h LYS 3 Ca -0.35 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 58.97 1l3h h LYS 3 Cb 1.25 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.96 1l3h h LYS 3 CO 0.52 0.33 -0.34 0.00 -2.27 0.00 0.00 179.45 177.69 1l3h h GLN 5 N -1.02 0.42 0.88 0.00 1.08 -1.57 0.52 115.11 115.42 1l3h h GLN 5 Ca -0.10 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.04 1l3h h GLN 5 Cb 0.73 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1l3h h GLN 5 CO 0.16 0.28 -0.48 0.93 -0.95 0.00 0.00 178.83 178.77 1l3h h GLU 6 N 0.43 -1.20 0.00 1.46 5.08 -0.70 -2.79 114.58 116.86 1l3h h GLU 6 Ca 0.12 0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1l3h h GLU 6 Cb -0.02 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1l3h h GLU 6 CO -0.03 -0.80 -0.17 0.93 -1.00 0.00 0.00 179.01 177.94 1l3h h GLU 7 N -1.25 0.00 -0.27 2.33 5.08 -0.39 0.81 114.58 120.89 1l3h h GLU 7 Ca -0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1l3h h GLU 7 Cb 0.98 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1l3h h GLU 7 CO 0.16 0.17 0.11 0.28 -1.00 0.00 0.00 179.01 178.73 1l3h h VAL 8 N 0.00 1.11 0.00 3.13 2.07 -0.95 0.04 116.25 121.65 1l3h h VAL 8 Ca -0.00 -0.33 -0.19 0.00 0.82 0.00 0.00 66.70 67.00 1l3h h VAL 8 Cb 0.32 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1l3h h VAL 8 CO 0.02 0.13 -0.89 0.77 0.02 0.00 0.00 177.57 177.62 1l3h h SER 9 N 0.37 0.00 -0.06 0.57 4.64 -0.64 -3.37 113.55 115.07 1l3h h SER 9 Ca 0.09 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 1l3h h SER 9 Cb 0.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1l3h h SER 9 CO -0.01 0.89 -0.03 0.45 -0.87 0.00 0.00 176.83 177.26 1l3h h HIS 10 N 0.00 0.15 -3.58 4.77 -0.00 -0.31 -3.41 115.15 112.79 1l3h h HIS 10 Ca -0.01 -0.04 -0.63 0.00 -0.00 0.00 0.00 60.37 59.69 1l3h h HIS 10 Cb 1.69 -0.04 -0.13 0.00 -0.00 0.00 0.00 27.41 28.93 1l3h h HIS 10 CO 0.00 0.50 0.24 0.42 -0.00 0.00 0.00 177.93 179.09 1l3h s ILE 11 N -4.58 4.79 0.83 2.45 -1.09 -0.07 -5.08 121.20 118.45 1l3h s ILE 11 Ca -0.15 0.54 -0.11 0.00 -2.23 0.00 0.00 60.65 58.69 1l3h s ILE 11 Cb 0.04 -4.18 0.09 0.00 -1.58 0.00 0.00 42.46 36.82 1l3h s ILE 11 CO 0.70 -0.48 1.10 -2.16 -1.23 0.00 0.00 174.94 172.86 1l3h s PRO 12 N 2.95 1.81 0.67 2.79 0.04 -1.26 -4.74 135.00 137.25 1l3h s PRO 12 Ca 0.27 0.71 0.42 0.00 0.04 0.00 0.00 61.00 62.43 1l3h s PRO 12 Cb -0.14 -1.88 2.28 0.00 0.04 0.00 0.00 34.50 34.80 1l3h s PRO 12 CO 0.18 -1.83 2.29 0.00 0.04 0.00 0.00 177.00 177.68 1l3h h ALA 13 N -1.24 1.08 -0.19 8.56 0.00 -1.98 -3.24 119.26 122.25 1l3h h ALA 13 Ca -0.48 -0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.77 1l3h h ALA 13 Cb 1.27 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1l3h h ALA 13 CO 0.58 -0.06 2.63 0.28 0.00 0.00 0.00 179.25 182.67 1l3h n VAL 14 N -3.07 3.04 -1.38 0.00 0.31 -1.26 -4.64 118.33 111.33 1l3h n VAL 14 Ca -0.03 -2.80 0.05 0.00 -0.01 0.00 0.00 64.34 61.55 1l3h n VAL 14 Cb 0.13 -2.46 0.20 0.00 -0.91 0.00 0.00 33.84 30.79 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 7.44 0.34 -1.77 3.52 1.44 -1.23 -5.08 115.22 119.89 1l3h n HIS 15 Ca 0.50 -1.35 -0.42 0.00 -2.01 0.00 0.00 57.72 54.44 1l3h n HIS 15 Cb 0.41 -0.29 -0.03 0.00 0.12 0.00 0.00 29.99 30.20 1l3h n HIS 15 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1l3h s PRO 16 N -3.12 3.81 0.00 -1.40 0.04 -1.26 -0.41 135.00 132.66 1l3h s PRO 16 Ca 0.39 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.67 1l3h s PRO 16 Cb 0.35 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.71 1l3h s PRO 16 CO -0.02 -1.32 0.00 0.41 0.04 0.00 0.00 177.00 176.12 1l3h n GLY 17 N 4.85 1.30 3.74 0.56 0.00 -1.26 -5.08 105.19 109.31 1l3h n GLY 17 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1l3h n GLY 17 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1l3h s SER 18 N -1.72 4.11 0.39 1.61 0.15 0.45 -4.94 113.70 113.74 1l3h s SER 18 Ca 0.00 -1.59 -0.02 0.00 0.70 0.00 0.00 55.95 55.04 1l3h s SER 18 Cb 0.00 0.35 -0.04 0.00 -1.71 0.00 0.00 66.02 64.62 1l3h s SER 18 CO 0.00 -0.79 0.63 0.12 1.20 0.00 0.00 173.24 174.40 1l3h s PHE 19 N -2.84 3.52 -0.06 3.44 5.36 -1.26 -4.21 117.98 121.92 1l3h s PHE 19 Ca 0.12 0.54 -0.03 0.00 -0.96 0.00 0.00 56.93 56.61 1l3h s PHE 19 Cb 0.03 -2.06 0.04 0.00 -0.34 0.00 0.00 43.02 40.69 1l3h s PHE 19 CO 0.06 -0.01 0.13 0.50 -1.46 0.00 0.00 175.22 174.45 1l3h s ARG 20 N -4.36 0.08 0.91 10.12 3.52 -1.26 -4.96 118.95 122.99 1l3h s ARG 20 Ca 0.43 0.34 -0.12 0.00 -0.13 0.00 0.00 55.73 56.24 1l3h s ARG 20 Cb -0.10 -0.17 0.14 0.00 -1.56 0.00 0.00 34.95 33.26 1l3h s ARG 20 CO 0.38 -0.15 1.12 -1.25 -0.81 0.00 0.00 175.30 174.59 1l3h s PRO 21 N 1.07 1.17 0.09 5.12 0.04 -1.26 -4.79 135.00 136.43 1l3h s PRO 21 Ca -0.08 0.44 -0.15 0.00 0.04 0.00 0.00 61.00 61.24 1l3h s PRO 21 Cb -0.11 -1.83 0.03 0.00 0.04 0.00 0.00 34.50 32.63 1l3h s PRO 21 CO -0.05 -2.21 0.37 -1.59 0.04 0.00 0.00 177.00 173.56 1l3h s LYS 22 N -5.17 0.97 0.12 4.56 0.00 -1.26 -4.75 119.74 114.21 1l3h s LYS 22 Ca 0.63 -0.62 0.06 0.00 0.00 0.00 0.00 55.97 56.05 1l3h s LYS 22 Cb -0.16 0.43 -0.04 0.00 0.00 0.00 0.00 37.83 38.06 1l3h s LYS 22 CO 0.55 -0.35 -0.15 0.00 0.00 0.00 0.00 175.35 175.39 1l3h s ASP 24 N -2.34 3.80 0.17 0.00 1.47 0.63 -4.57 116.67 115.84 1l3h s ASP 24 Ca 0.08 -0.18 0.15 0.00 1.18 0.00 0.00 52.55 53.78 1l3h s ASP 24 Cb -0.06 -0.04 0.72 0.00 -0.34 0.00 0.00 42.92 43.20 1l3h s ASP 24 CO 0.03 -2.25 1.45 -1.84 0.68 0.00 0.00 175.17 173.24 1l3h n GLU 25 N -3.21 0.09 -0.53 2.11 0.00 -1.26 -0.75 120.64 117.08 1l3h n GLU 25 Ca 0.16 0.51 0.10 0.00 0.00 0.00 0.00 57.16 57.93 1l3h n GLU 25 Cb 0.60 -1.75 0.35 0.00 0.00 0.00 0.00 31.44 30.64 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 -1.93 4.50 0.00 -1.84 3.02 -1.26 -4.96 115.26 112.79 1l3h n ASN 26 Ca 0.00 -2.28 0.00 0.00 -0.03 0.00 0.00 54.58 52.27 1l3h n ASN 26 Cb 0.07 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 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 1.36 0.26 3.92 7.41 0.00 0.07 -4.98 105.19 113.23 1l3h n GLY 27 Ca 0.26 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.20 5.39 0.21 1.61 0.01 -1.26 -4.43 114.94 114.27 1l3h s ASN 28 Ca 0.00 0.67 -0.32 0.00 -0.71 0.00 0.00 52.86 52.50 1l3h s ASN 28 Cb 0.00 -1.57 -0.12 0.00 0.41 0.00 0.00 41.25 39.97 1l3h s ASN 28 CO 0.00 -1.21 1.67 -1.22 -1.51 0.00 0.00 177.10 174.83 1l3h n TYR 29 N -2.69 2.67 -1.69 2.20 4.02 -0.20 -0.27 117.16 121.20 1l3h n TYR 29 Ca 0.06 0.12 -0.52 0.00 -0.01 0.00 0.00 57.90 57.55 1l3h n TYR 29 Cb 0.58 -2.63 -0.06 0.00 -0.02 0.00 0.00 39.34 37.21 1l3h n TYR 29 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1l3h n LEU 30 N 3.55 3.06 0.00 7.72 4.77 -0.02 -4.53 117.00 131.55 1l3h n LEU 30 Ca 0.15 1.01 0.00 0.00 -0.03 0.00 0.00 56.01 57.14 1l3h n LEU 30 Cb 0.34 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1l3h n LEU 30 CO 0.64 -0.19 0.47 -2.65 -1.33 0.00 0.00 177.39 174.33 1l3h n PRO 31 N 6.21 0.00 -4.40 3.23 -0.02 -1.26 -3.99 135.00 134.77 1l3h n PRO 31 Ca 0.24 0.33 -0.33 0.00 -2.02 0.00 0.00 63.50 61.72 1l3h n PRO 31 Cb 0.23 -1.63 -0.15 0.00 -0.02 0.00 0.00 33.50 31.93 1l3h n PRO 31 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1l3h s LEU 32 N -2.63 2.46 0.05 2.45 2.96 -1.26 -0.29 118.68 122.41 1l3h s LEU 32 Ca 0.00 -0.49 0.09 0.00 -0.22 0.00 0.00 54.13 53.50 1l3h s LEU 32 Cb 0.00 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 1l3h s LEU 32 CO 0.00 0.06 -0.24 -1.10 -1.32 0.00 0.00 176.35 173.75 1l3h s GLN 33 N 0.96 1.57 -0.04 1.98 -1.52 -0.06 -4.93 119.66 117.62 1l3h s GLN 33 Ca -0.03 -1.06 -0.00 0.00 -1.95 0.00 0.00 55.36 52.33 1l3h s GLN 33 Cb -0.15 -1.74 0.03 0.00 -0.22 0.00 0.00 33.01 30.92 1l3h s GLN 33 CO -0.02 0.44 -0.01 0.00 -0.25 0.00 0.00 175.29 175.45 1l3h n TYR 35 N 4.46 3.34 -0.29 0.00 4.19 0.61 -4.55 117.16 124.92 1l3h n TYR 35 Ca -0.19 -2.91 0.21 0.00 3.31 0.00 0.00 57.90 58.32 1l3h n TYR 35 Cb 0.50 -2.32 0.50 0.00 0.49 0.00 0.00 39.34 38.51 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 9.22 1.07 1.13 2.98 0.00 -1.82 -0.40 103.07 115.25 1l3h h GLY 36 Ca 0.50 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.68 1l3h h GLY 36 CO 1.77 -0.07 0.38 1.76 0.00 0.00 0.00 176.54 180.39 1l3h h SER 37 N 0.42 0.00 0.00 0.19 0.02 -1.89 -1.39 113.55 110.90 1l3h h SER 37 Ca 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 1l3h h SER 37 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1l3h h SER 37 CO -0.24 0.00 0.00 2.30 -1.14 0.00 0.00 176.83 177.75 1l3h n ILE 38 N -3.30 0.21 -0.97 3.27 -5.35 -0.20 -4.75 119.36 108.27 1l3h n ILE 38 Ca 0.02 -0.54 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 1l3h n ILE 38 Cb 0.49 0.99 0.00 0.00 -1.74 0.00 0.00 39.64 39.38 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 -0.11 0.89 3.82 3.28 0.00 -0.53 -5.03 105.19 107.53 1l3h n GLY 39 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.64 3.51 0.17 1.61 1.51 -1.22 -3.61 117.35 115.68 1l3h s TYR 40 Ca 0.00 1.39 0.03 0.00 -1.01 0.00 0.00 57.07 57.48 1l3h s TYR 40 Cb 0.00 -2.65 -0.05 0.00 -0.11 0.00 0.00 41.96 39.16 1l3h s TYR 40 CO 0.00 0.18 -0.02 0.00 -1.11 0.00 0.00 175.55 174.60 1l3h s TRP 42 N -3.55 0.26 0.37 0.00 -2.14 -0.12 -0.40 118.94 113.37 1l3h s TRP 42 Ca 0.22 -0.67 -0.12 0.00 2.66 0.00 0.00 56.10 58.19 1l3h s TRP 42 Cb 0.05 -0.08 -0.07 0.00 -3.10 0.00 0.00 33.47 30.27 1l3h s TRP 42 CO 0.03 -0.60 0.75 0.00 -2.66 0.00 0.00 176.95 174.48 1l3h s VAL 44 N -2.24 1.48 0.72 0.00 -7.23 0.60 -0.39 120.40 113.35 1l3h s VAL 44 Ca 0.52 -1.69 -0.11 0.00 -1.81 0.00 0.00 61.98 58.89 1l3h s VAL 44 Cb -0.10 -1.56 0.03 0.00 0.56 0.00 0.00 36.38 35.30 1l3h s VAL 44 CO 0.27 -0.32 1.07 -0.36 -0.31 0.00 0.00 175.10 175.45 1l3h s PHE 45 N -1.88 2.98 0.59 2.82 0.08 0.66 -4.39 117.98 118.85 1l3h s PHE 45 Ca 0.09 1.40 0.29 0.00 0.12 0.00 0.00 56.93 58.83 1l3h s PHE 45 Cb -0.06 -2.94 1.48 0.00 -0.57 0.00 0.00 43.02 40.93 1l3h s PHE 45 CO 0.04 -1.41 1.90 -1.35 -0.10 0.00 0.00 175.22 174.30 1l3h h PRO 46 N -0.84 0.00 0.00 0.24 0.11 -1.90 0.11 132.00 129.73 1l3h h PRO 46 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1l3h h PRO 46 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1l3h h PRO 46 CO 0.56 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.62 1l3h n ASN 47 N -3.69 0.02 0.00 -2.05 6.94 -1.26 -1.03 115.26 114.19 1l3h n ASN 47 Ca 0.08 0.50 0.00 0.00 -0.02 0.00 0.00 54.58 55.14 1l3h n ASN 47 Cb 0.66 -0.51 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 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 0.89 0.43 3.70 4.83 0.00 0.39 -4.89 105.19 110.55 1l3h n GLY 48 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.04 4.17 0.35 2.61 2.01 -1.25 -4.77 115.64 116.72 1l3h s THR 49 Ca 0.00 1.54 -0.28 0.00 0.31 0.00 0.00 61.69 63.26 1l3h s THR 49 Cb 0.00 -3.99 -0.12 0.00 0.01 0.00 0.00 72.50 68.40 1l3h s THR 49 CO 0.00 0.07 1.38 1.21 -0.69 0.00 0.00 174.62 176.59 1l3h n GLU 50 N 4.47 2.37 -2.75 4.92 2.13 -1.26 -0.24 120.64 130.27 1l3h n GLU 50 Ca 0.10 0.83 -0.43 0.00 0.66 0.00 0.00 57.16 58.32 1l3h n GLU 50 Cb 0.47 -2.48 -0.03 0.00 0.27 0.00 0.00 31.44 29.66 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 -1.07 4.44 0.54 6.31 1.01 0.47 -4.79 120.40 127.31 1l3h s VAL 51 Ca 0.55 1.03 -0.19 0.00 0.00 0.00 0.00 61.98 63.36 1l3h s VAL 51 Cb -0.53 -4.45 -0.09 0.00 0.00 0.00 0.00 36.38 31.31 1l3h s VAL 51 CO 0.63 -0.78 0.63 -2.65 0.00 0.00 0.00 175.10 172.92 1l3h n PRO 52 N 7.22 0.64 -0.82 2.72 -0.02 -1.26 -2.88 135.00 140.60 1l3h n PRO 52 Ca 0.08 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1l3h n PRO 52 Cb 0.48 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 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 0.41 -3.92 0.17 2.55 4.13 -1.26 -4.81 115.26 112.53 1l3h n ASN 53 Ca 0.12 0.00 0.04 0.00 1.68 0.00 0.00 54.58 56.42 1l3h n ASN 53 Cb 0.46 -3.12 0.24 0.00 -1.54 0.00 0.00 39.78 35.82 1l3h n ASN 53 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1l3h h THR 54 N 0.00 0.91 -0.24 3.41 1.35 -1.90 -3.46 112.91 112.99 1l3h h THR 54 Ca 0.00 -1.77 -0.73 0.00 -0.55 0.00 0.00 66.41 63.36 1l3h h THR 54 Cb 0.65 2.09 -0.04 0.00 -1.73 0.00 0.00 68.15 69.12 1l3h h THR 54 CO 0.00 0.42 1.37 -1.14 -0.25 0.00 0.00 175.52 175.93 1l3h n ARG 55 N -3.45 0.23 -4.08 4.72 0.00 -1.26 -4.65 116.66 108.17 1l3h n ARG 55 Ca 0.00 0.06 -0.09 0.00 -0.00 0.00 0.00 57.85 57.82 1l3h n ARG 55 Cb 0.58 -1.71 -0.09 0.00 0.00 0.00 0.00 32.46 31.24 1l3h n ARG 55 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1l3h s SER 56 N 6.54 0.23 0.00 6.15 0.01 0.47 -5.00 113.70 122.10 1l3h s SER 56 Ca 1.19 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 57.38 1l3h s SER 56 Cb -1.34 0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.22 1l3h s SER 56 CO 0.61 -0.77 0.62 0.54 0.41 0.00 0.00 173.24 174.65 1l3h n ARG 57 N -0.11 0.90 -3.75 12.44 3.00 -1.26 -0.60 116.66 127.28 1l3h n ARG 57 Ca -0.07 0.00 0.03 0.00 -0.01 0.00 0.00 57.85 57.80 1l3h n ARG 57 Cb 0.63 -1.28 0.01 0.00 0.00 0.00 0.00 32.46 31.82 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 0.18 0.22 3.61 -0.13 0.00 -1.24 -4.71 105.19 103.12 1l3h n GLY 58 Ca 0.00 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.10 1.78 0.21 1.61 3.76 -1.26 -4.17 115.29 115.12 1l3h s HIS 59 Ca 0.27 1.21 -0.16 0.00 -0.15 0.00 0.00 55.06 56.22 1l3h s HIS 59 Cb -0.00 -3.18 0.02 0.00 1.11 0.00 0.00 32.58 30.52 1l3h s HIS 59 CO -0.01 -3.20 0.51 -3.38 -0.85 0.00 0.00 174.74 167.81 1l3h s HIS 60 N -2.72 -0.00 -1.44 1.40 -3.43 -1.26 -5.07 115.29 102.77 1l3h s HIS 60 Ca 0.66 -0.35 -0.09 0.00 -0.80 0.00 0.00 55.06 54.48 1l3h s HIS 60 Cb -0.22 0.35 0.04 0.00 -1.43 0.00 0.00 32.58 31.33 1l3h s HIS 60 CO 0.60 -0.94 2.46 0.09 -2.00 0.00 0.00 174.74 174.96 1l3h n ASN 61 N -0.35 7.07 -4.68 7.38 4.13 -1.26 -4.94 115.26 122.61 1l3h n ASN 61 Ca -0.08 -2.90 -0.30 0.00 1.68 0.00 0.00 54.58 52.99 1l3h n ASN 61 Cb 0.62 -1.50 0.16 0.00 -1.54 0.00 0.00 39.78 37.52 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 -4.09 2.68 -3.48 0.00 3.41 -1.26 -4.87 113.62 106.02 1l3h n SER 63 Ca 0.07 -2.69 -0.40 0.00 -0.26 0.00 0.00 58.87 55.59 1l3h n SER 63 Cb 0.54 -1.28 -0.09 0.00 -0.26 0.00 0.00 64.21 63.12 1l3h n SER 63 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1l3h n GLU 64 N 7.36 0.39 0.00 4.33 4.07 -1.26 -4.76 120.64 130.76 1l3h n GLU 64 Ca 0.48 -1.16 0.00 0.00 -0.06 0.00 0.00 57.16 56.43 1l3h n GLU 64 Cb 0.42 -2.55 0.00 0.00 -0.06 0.00 0.00 31.44 29.25 1l3h n GLU 64 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94