#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 0.02 0.30 -5.08 -4.23 -1.26 -5.00 115.64 100.39 1l3h s THR 2 Ca 0.00 -1.87 0.05 0.00 -1.18 0.00 0.00 61.69 58.69 1l3h s THR 2 Cb 0.00 -2.36 0.30 0.00 1.34 0.00 0.00 72.50 71.77 1l3h s THR 2 CO 0.00 -0.08 1.78 0.50 -0.54 0.00 0.00 174.62 176.29 1l3h h LYS 3 N 2.59 0.76 0.71 3.99 3.64 -1.99 0.25 116.57 126.52 1l3h h LYS 3 Ca -0.34 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.96 1l3h h LYS 3 Cb 1.24 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1l3h h LYS 3 CO 0.51 0.50 -0.38 0.00 -2.27 0.00 0.00 179.45 177.81 1l3h h GLN 5 N -1.00 0.14 0.75 0.00 4.20 -1.49 0.68 115.11 118.38 1l3h h GLN 5 Ca -0.10 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 1l3h h GLN 5 Cb 0.78 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.54 1l3h h GLN 5 CO 0.14 0.09 -0.36 0.93 -0.67 0.00 0.00 178.83 178.96 1l3h h GLU 6 N 0.14 -0.96 -0.92 1.46 5.08 -0.58 -0.25 114.58 118.55 1l3h h GLU 6 Ca 0.04 0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 1l3h h GLU 6 Cb -0.00 0.22 -0.06 0.00 0.50 0.00 0.00 28.75 29.41 1l3h h GLU 6 CO -0.01 -0.62 0.60 0.93 -1.00 0.00 0.00 179.01 178.91 1l3h h GLU 7 N -1.11 1.09 -0.07 2.33 5.08 -0.45 0.19 114.58 121.64 1l3h h GLU 7 Ca -0.10 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 1l3h h GLU 7 Cb 0.79 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1l3h h GLU 7 CO 0.17 0.72 -0.32 0.28 -1.00 0.00 0.00 179.01 178.86 1l3h h VAL 8 N 1.12 1.25 -0.13 3.13 2.07 -0.90 0.18 116.25 122.98 1l3h h VAL 8 Ca 0.38 -1.20 -0.13 0.00 0.82 0.00 0.00 66.70 66.57 1l3h h VAL 8 Cb 0.07 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1l3h h VAL 8 CO -0.12 0.35 -0.41 0.28 0.02 0.00 0.00 177.57 177.69 1l3h h SER 9 N 0.12 0.58 0.56 0.57 0.02 -0.01 -3.37 113.55 112.02 1l3h h SER 9 Ca 0.02 -0.60 -0.22 0.00 -0.84 0.00 0.00 61.79 60.14 1l3h h SER 9 Cb 0.62 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1l3h h SER 9 CO 0.05 1.09 -0.97 0.45 -1.14 0.00 0.00 176.83 176.30 1l3h h HIS 10 N 0.11 0.39 -3.14 3.45 -0.00 -0.44 -3.39 115.15 112.13 1l3h h HIS 10 Ca -0.02 -0.23 -0.75 0.00 -0.00 0.00 0.00 60.37 59.38 1l3h h HIS 10 Cb 1.04 -0.04 -0.23 0.00 -0.00 0.00 0.00 27.41 28.18 1l3h h HIS 10 CO 0.11 1.08 -0.22 0.42 -0.00 0.00 0.00 177.93 179.31 1l3h s ILE 11 N -3.08 5.19 0.96 2.45 1.01 0.62 -5.08 121.20 123.27 1l3h s ILE 11 Ca -0.03 -1.33 -0.14 0.00 0.00 0.00 0.00 60.65 59.15 1l3h s ILE 11 Cb 0.09 -4.29 0.17 0.00 0.01 0.00 0.00 42.46 38.44 1l3h s ILE 11 CO 0.85 -0.80 1.17 -2.16 0.00 0.00 0.00 174.94 173.99 1l3h s PRO 12 N 1.70 0.71 0.62 2.79 0.04 -1.26 -4.58 135.00 135.02 1l3h s PRO 12 Ca 0.04 0.11 0.32 0.00 0.04 0.00 0.00 61.00 61.51 1l3h s PRO 12 Cb -0.28 -1.81 1.78 0.00 0.04 0.00 0.00 34.50 34.23 1l3h s PRO 12 CO 0.04 -2.45 2.09 0.00 0.04 0.00 0.00 177.00 176.72 1l3h h ALA 13 N -1.68 1.57 -0.07 8.56 0.00 -1.96 -3.22 119.26 122.46 1l3h h ALA 13 Ca -0.48 -0.00 -0.67 0.00 0.00 0.00 0.00 54.91 53.75 1l3h h ALA 13 Cb 1.31 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1l3h h ALA 13 CO 0.54 -0.29 2.71 0.28 0.00 0.00 0.00 179.25 182.49 1l3h n VAL 14 N -3.42 2.83 -1.44 0.00 0.31 -1.26 -4.58 118.33 110.77 1l3h n VAL 14 Ca 0.00 -2.52 0.07 0.00 -0.01 0.00 0.00 64.34 61.89 1l3h n VAL 14 Cb 0.32 -2.47 0.16 0.00 -0.91 0.00 0.00 33.84 30.93 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 7.02 0.00 -1.74 3.52 1.44 -1.22 -5.08 115.22 119.17 1l3h n HIS 15 Ca 0.51 -1.13 -0.43 0.00 -2.01 0.00 0.00 57.72 54.66 1l3h n HIS 15 Cb 0.40 -0.19 -0.03 0.00 0.12 0.00 0.00 29.99 30.30 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 -2.70 3.63 0.00 -1.40 0.04 -1.26 -0.36 135.00 132.96 1l3h s PRO 16 Ca 0.33 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.53 1l3h s PRO 16 Cb 0.31 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1l3h s PRO 16 CO -0.03 -1.52 0.00 0.41 0.04 0.00 0.00 177.00 175.90 1l3h n GLY 17 N 5.09 2.28 3.76 0.56 0.00 -1.26 -5.09 105.19 110.53 1l3h n GLY 17 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.63 4.13 0.31 1.61 0.15 0.52 -4.93 113.70 113.86 1l3h s SER 18 Ca 0.00 -1.63 -0.01 0.00 0.70 0.00 0.00 55.95 55.01 1l3h s SER 18 Cb 0.00 0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 64.74 1l3h s SER 18 CO 0.00 -0.84 0.52 0.12 1.20 0.00 0.00 173.24 174.24 1l3h s PHE 19 N -2.87 3.49 -0.06 3.44 5.36 -1.26 -4.29 117.98 121.80 1l3h s PHE 19 Ca 0.08 0.42 -0.03 0.00 -0.96 0.00 0.00 56.93 56.45 1l3h s PHE 19 Cb 0.02 -1.94 0.04 0.00 -0.34 0.00 0.00 43.02 40.80 1l3h s PHE 19 CO 0.04 0.18 0.14 0.50 -1.46 0.00 0.00 175.22 174.62 1l3h s ARG 20 N -3.95 0.08 0.99 10.12 3.52 -1.26 -4.97 118.95 123.47 1l3h s ARG 20 Ca 0.41 0.36 -0.13 0.00 -0.13 0.00 0.00 55.73 56.24 1l3h s ARG 20 Cb -0.10 -0.19 0.18 0.00 -1.56 0.00 0.00 34.95 33.28 1l3h s ARG 20 CO 0.33 -0.17 1.11 -1.25 -0.81 0.00 0.00 175.30 174.52 1l3h s PRO 21 N 1.18 0.51 0.02 5.12 0.04 -1.26 -4.67 135.00 135.93 1l3h s PRO 21 Ca -0.09 0.37 0.01 0.00 0.04 0.00 0.00 61.00 61.33 1l3h s PRO 21 Cb -0.12 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 1l3h s PRO 21 CO -0.06 -2.65 -0.05 0.15 0.04 0.00 0.00 177.00 174.44 1l3h s LYS 22 N -5.11 0.35 0.10 4.56 -0.14 -1.26 -4.79 119.74 113.45 1l3h s LYS 22 Ca 0.65 -0.44 0.03 0.00 -1.36 0.00 0.00 55.97 54.86 1l3h s LYS 22 Cb -0.17 -0.17 -0.04 0.00 -1.68 0.00 0.00 37.83 35.77 1l3h s LYS 22 CO 0.56 0.03 -0.09 0.00 -0.76 0.00 0.00 175.35 175.10 1l3h s ASP 24 N -2.75 5.11 0.26 0.00 1.47 -0.00 -4.62 116.67 116.13 1l3h s ASP 24 Ca 0.09 -0.32 0.19 0.00 1.18 0.00 0.00 52.55 53.69 1l3h s ASP 24 Cb 0.01 -0.43 0.97 0.00 -0.34 0.00 0.00 42.92 43.12 1l3h s ASP 24 CO -0.02 -1.26 1.58 -1.84 0.68 0.00 0.00 175.17 174.31 1l3h n GLU 25 N -2.33 0.13 -0.11 2.11 0.00 -1.26 -1.05 120.64 118.12 1l3h n GLU 25 Ca 0.11 0.56 0.09 0.00 0.00 0.00 0.00 57.16 57.92 1l3h n GLU 25 Cb 0.60 -1.87 0.30 0.00 0.00 0.00 0.00 31.44 30.47 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 -2.13 1.68 0.00 -1.84 4.13 -1.26 -4.94 115.26 110.90 1l3h n ASN 26 Ca -0.00 -1.81 0.00 0.00 1.68 0.00 0.00 54.58 54.45 1l3h n ASN 26 Cb 0.08 -0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.17 1l3h n ASN 26 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1l3h n GLY 27 N 1.09 0.27 3.94 7.41 0.00 -0.22 -4.99 105.19 112.69 1l3h n GLY 27 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.16 5.75 0.17 1.61 0.01 -1.26 -4.54 114.94 114.53 1l3h s ASN 28 Ca 0.00 0.40 -0.31 0.00 -0.71 0.00 0.00 52.86 52.24 1l3h s ASN 28 Cb 0.00 -1.57 -0.10 0.00 0.41 0.00 0.00 41.25 39.99 1l3h s ASN 28 CO 0.00 -0.82 1.54 -0.31 -1.51 0.00 0.00 177.10 176.00 1l3h s TYR 29 N -2.69 3.06 0.33 2.20 1.51 -0.04 -0.82 117.35 120.90 1l3h s TYR 29 Ca 0.50 0.70 -0.29 0.00 -1.01 0.00 0.00 57.07 56.98 1l3h s TYR 29 Cb -0.10 -3.90 -0.12 0.00 -0.11 0.00 0.00 41.96 37.73 1l3h s TYR 29 CO 0.40 -3.26 1.38 1.28 -1.11 0.00 0.00 175.55 174.24 1l3h n LEU 30 N 3.72 3.79 -0.33 -1.29 4.77 0.08 -4.56 117.00 123.18 1l3h n LEU 30 Ca 0.13 1.19 0.32 0.00 -0.03 0.00 0.00 56.01 57.62 1l3h n LEU 30 Cb 0.39 -1.51 0.69 0.00 -2.33 0.00 0.00 43.42 40.65 1l3h n LEU 30 CO 0.61 -0.30 1.29 -0.65 -1.33 0.00 0.00 177.39 177.01 1l3h h PRO 31 N 3.13 0.10 -5.84 3.23 0.11 -1.91 -3.38 132.00 127.45 1l3h h PRO 31 Ca -0.47 -0.01 -0.67 0.00 0.11 0.00 0.00 66.00 64.96 1l3h h PRO 31 Cb 1.27 -0.02 -0.13 0.00 0.11 0.00 0.00 31.00 32.23 1l3h h PRO 31 CO 0.67 0.07 -0.58 -1.17 -0.21 0.00 0.00 178.00 176.78 1l3h s LEU 32 N -8.73 3.84 0.05 2.35 2.96 -1.26 -0.53 118.68 117.36 1l3h s LEU 32 Ca -0.06 0.24 0.05 0.00 -0.22 0.00 0.00 54.13 54.15 1l3h s LEU 32 Cb 0.24 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 1l3h s LEU 32 CO 0.80 0.38 -0.15 -1.10 -1.32 0.00 0.00 176.35 174.96 1l3h s GLN 33 N -0.88 0.95 -0.03 1.98 -1.52 0.11 -4.84 119.66 115.43 1l3h s GLN 33 Ca 0.13 -0.86 -0.01 0.00 -1.95 0.00 0.00 55.36 52.67 1l3h s GLN 33 Cb -0.12 -0.99 0.03 0.00 -0.22 0.00 0.00 33.01 31.71 1l3h s GLN 33 CO 0.03 0.24 0.03 0.00 -0.25 0.00 0.00 175.29 175.34 1l3h n TYR 35 N 4.66 3.11 -0.03 0.00 4.19 0.83 -4.46 117.16 125.46 1l3h n TYR 35 Ca -0.17 -2.90 0.21 0.00 3.31 0.00 0.00 57.90 58.35 1l3h n TYR 35 Cb 0.50 -2.26 0.69 0.00 0.49 0.00 0.00 39.34 38.75 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 8.52 0.04 1.01 2.98 0.00 -1.83 -1.15 103.07 112.64 1l3h h GLY 36 Ca 0.55 -0.01 0.09 0.00 0.00 0.00 0.00 47.33 47.96 1l3h h GLY 36 CO 1.75 0.00 0.40 1.76 0.00 0.00 0.00 176.54 180.46 1l3h h SER 37 N 0.02 0.00 0.00 0.19 0.02 -1.88 -0.46 113.55 111.43 1l3h h SER 37 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1l3h h SER 37 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1l3h h SER 37 CO -0.01 0.00 -0.00 2.30 -1.14 0.00 0.00 176.83 177.98 1l3h n ILE 38 N -3.59 0.91 -0.92 3.27 -5.35 -0.47 -4.73 119.36 108.48 1l3h n ILE 38 Ca 0.05 -0.92 0.00 0.00 -0.27 0.00 0.00 62.75 61.62 1l3h n ILE 38 Cb 0.55 0.54 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 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 -0.46 0.60 3.82 3.28 0.00 -0.18 -4.99 105.19 107.26 1l3h n GLY 39 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.68 3.36 0.08 1.61 1.51 -0.99 -3.04 117.35 117.19 1l3h s TYR 40 Ca 0.00 1.52 0.00 0.00 -1.01 0.00 0.00 57.07 57.58 1l3h s TYR 40 Cb 0.00 -2.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.04 1l3h s TYR 40 CO 0.00 -0.03 -0.03 0.00 -1.11 0.00 0.00 175.55 174.38 1l3h s TRP 42 N -3.82 0.12 0.32 0.00 -2.14 -0.20 -0.80 118.94 112.42 1l3h s TRP 42 Ca 0.11 -0.48 -0.06 0.00 2.66 0.00 0.00 56.10 58.32 1l3h s TRP 42 Cb 0.07 0.12 -0.05 0.00 -3.10 0.00 0.00 33.47 30.50 1l3h s TRP 42 CO -0.07 -0.75 0.62 0.00 -2.66 0.00 0.00 176.95 174.09 1l3h s VAL 44 N -2.18 1.20 0.64 0.00 -7.23 0.31 -0.39 120.40 112.76 1l3h s VAL 44 Ca 0.46 -2.06 -0.11 0.00 -1.81 0.00 0.00 61.98 58.46 1l3h s VAL 44 Cb -0.11 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 1l3h s VAL 44 CO 0.30 -0.73 1.04 -0.36 -0.31 0.00 0.00 175.10 175.04 1l3h s PHE 45 N -3.27 3.50 0.61 2.82 0.08 0.34 -4.50 117.98 117.57 1l3h s PHE 45 Ca 0.17 1.32 0.29 0.00 0.12 0.00 0.00 56.93 58.83 1l3h s PHE 45 Cb 0.02 -2.76 1.58 0.00 -0.57 0.00 0.00 43.02 41.30 1l3h s PHE 45 CO 0.01 -0.82 1.97 -1.35 -0.10 0.00 0.00 175.22 174.93 1l3h h PRO 46 N -0.41 0.00 0.00 0.24 0.11 -1.80 0.16 132.00 130.30 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 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1l3h h PRO 46 CO 0.61 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.67 1l3h n ASN 47 N -3.53 0.00 0.00 -2.05 0.23 -1.26 -0.86 115.26 107.78 1l3h n ASN 47 Ca 0.04 0.04 0.00 0.00 -0.53 0.00 0.00 54.58 54.13 1l3h n ASN 47 Cb 0.49 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 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 1.10 0.41 3.66 4.83 0.00 0.58 -4.90 105.19 110.86 1l3h n GLY 48 Ca 0.11 0.00 -0.43 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 -2.01 4.01 0.51 2.61 2.01 -1.25 -4.75 115.64 116.77 1l3h s THR 49 Ca 0.00 1.21 -0.23 0.00 0.31 0.00 0.00 61.69 62.98 1l3h s THR 49 Cb 0.00 -3.82 -0.06 0.00 0.01 0.00 0.00 72.50 68.63 1l3h s THR 49 CO 0.00 -0.15 1.36 1.21 -0.69 0.00 0.00 174.62 176.35 1l3h n GLU 50 N 6.90 1.86 -2.94 4.92 2.13 -1.26 -0.50 120.64 131.74 1l3h n GLU 50 Ca 0.15 0.68 -0.44 0.00 0.66 0.00 0.00 57.16 58.21 1l3h n GLU 50 Cb 0.44 -2.56 -0.03 0.00 0.27 0.00 0.00 31.44 29.56 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 -1.26 4.59 -0.60 6.31 1.01 0.48 -4.85 120.40 126.08 1l3h s VAL 51 Ca 0.67 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1l3h s VAL 51 Cb -0.44 -4.67 0.00 0.00 0.00 0.00 0.00 36.38 31.27 1l3h s VAL 51 CO 0.53 -1.39 0.41 -0.81 0.00 0.00 0.00 175.10 173.84 1l3h n PRO 52 N 6.95 0.59 0.00 2.72 -0.04 -1.26 -1.23 135.00 142.73 1l3h n PRO 52 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1l3h n PRO 52 Cb 0.46 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 1l3h n PRO 52 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1l3h n ASN 53 N 0.41 0.65 0.03 3.54 5.03 -1.26 -4.75 115.26 118.91 1l3h n ASN 53 Ca 0.00 -0.92 0.11 0.00 0.87 0.00 0.00 54.58 54.64 1l3h n ASN 53 Cb 0.21 0.09 0.06 0.00 -1.02 0.00 0.00 39.78 39.12 1l3h n ASN 53 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1l3h n THR 54 N -0.09 0.19 -1.55 3.41 -2.24 -0.37 -4.96 114.28 108.67 1l3h n THR 54 Ca 0.00 -0.24 -0.44 0.00 -2.27 0.00 0.00 64.05 61.11 1l3h n THR 54 Cb 0.06 0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 1l3h n THR 54 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1l3h n ARG 55 N -1.97 1.51 -4.22 -0.78 0.63 -1.26 -4.56 116.66 106.02 1l3h n ARG 55 Ca 0.02 0.36 -0.13 0.00 -0.92 0.00 0.00 57.85 57.17 1l3h n ARG 55 Cb 0.43 -3.03 -0.10 0.00 0.45 0.00 0.00 32.46 30.21 1l3h n ARG 55 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1l3h s SER 56 N 8.84 1.58 0.00 6.15 0.15 0.02 -5.01 113.70 125.43 1l3h s SER 56 Ca 1.04 -0.97 0.03 0.00 0.70 0.00 0.00 55.95 56.75 1l3h s SER 56 Cb -0.46 0.02 0.17 0.00 -1.71 0.00 0.00 66.02 64.03 1l3h s SER 56 CO 0.37 -0.34 0.56 0.54 1.20 0.00 0.00 173.24 175.57 1l3h n ARG 57 N 0.01 0.38 -2.48 5.44 3.00 -1.26 -0.76 116.66 120.99 1l3h n ARG 57 Ca -0.12 0.00 0.01 0.00 -0.01 0.00 0.00 57.85 57.73 1l3h n ARG 57 Cb 0.60 -1.11 0.00 0.00 0.00 0.00 0.00 32.46 31.95 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 -0.15 0.34 3.65 -0.13 0.00 -1.17 -4.49 105.19 103.24 1l3h n GLY 58 Ca 0.02 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 1l3h n GLY 58 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1l3h n HIS 59 N -0.24 1.00 -3.57 1.61 -0.00 -1.26 -4.18 115.22 108.58 1l3h n HIS 59 Ca 0.02 0.40 -0.12 0.00 -0.00 0.00 0.00 57.72 58.02 1l3h n HIS 59 Cb 0.14 -2.10 -0.04 0.00 -0.00 0.00 0.00 29.99 27.98 1l3h n HIS 59 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1l3h s HIS 60 N -1.91 -0.35 -1.17 1.57 -3.43 -1.26 -5.08 115.29 103.67 1l3h s HIS 60 Ca 0.74 0.16 -0.06 0.00 -0.80 0.00 0.00 55.06 55.10 1l3h s HIS 60 Cb -0.32 0.35 0.25 0.00 -1.43 0.00 0.00 32.58 31.43 1l3h s HIS 60 CO 0.50 -0.72 1.67 0.09 -2.00 0.00 0.00 174.74 174.29 1l3h n ASN 61 N -0.06 5.93 -4.41 7.38 4.13 -1.26 -4.93 115.26 122.04 1l3h n ASN 61 Ca -0.17 -3.29 -0.50 0.00 1.68 0.00 0.00 54.58 52.30 1l3h n ASN 61 Cb 0.63 -1.36 -0.10 0.00 -1.54 0.00 0.00 39.78 37.42 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 9.88 1.23 -0.05 0.00 7.64 -1.26 -4.78 113.62 126.28 1l3h n SER 63 Ca 0.50 -2.70 0.00 0.00 1.01 0.00 0.00 58.87 57.68 1l3h n SER 63 Cb 0.14 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 1l3h n SER 63 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1l3h n GLU 64 N -0.53 0.00 0.00 1.43 0.00 -1.26 -5.27 120.64 115.01 1l3h n GLU 64 Ca 0.10 -0.52 0.05 0.00 0.00 0.00 0.00 57.16 56.79 1l3h n GLU 64 Cb 0.78 -0.47 0.29 0.00 0.00 0.00 0.00 31.44 32.04 1l3h n GLU 64 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56