#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h4o s SER 3 N 0.00 6.46 0.18 0.00 0.01 -1.26 -4.98 113.70 114.12 2h4o s SER 3 Ca 0.00 2.94 -0.24 0.00 1.31 0.00 0.00 55.95 59.96 2h4o s SER 3 Cb 0.00 -2.66 0.05 0.00 0.21 0.00 0.00 66.02 63.62 2h4o s SER 3 CO 0.00 -0.79 0.87 -1.59 0.41 0.00 0.00 173.24 172.14 2h4o s LYS 4 N -1.84 1.36 -0.21 12.44 -2.85 -1.26 -5.13 119.74 122.25 2h4o s LYS 4 Ca 0.53 -0.73 -0.00 0.00 -1.00 0.00 0.00 55.97 54.76 2h4o s LYS 4 Cb -0.45 0.47 0.02 0.00 -2.06 0.00 0.00 37.83 35.82 2h4o s LYS 4 CO 0.59 -0.62 -0.14 0.21 0.10 0.00 0.00 175.35 175.49 2h4o s LYS 5 N -3.49 2.99 -0.08 1.78 2.20 -1.26 -5.11 119.74 116.77 2h4o s LYS 5 Ca 0.11 -0.85 -0.00 0.00 -0.36 0.00 0.00 55.97 54.87 2h4o s LYS 5 Cb -0.03 -2.76 -0.03 0.00 -1.51 0.00 0.00 37.83 33.51 2h4o s LYS 5 CO 0.02 -0.27 -0.05 0.54 -0.36 0.00 0.00 175.35 175.23 2h4o s VAL 6 N 1.32 3.85 -0.09 4.02 0.11 -1.26 -5.10 120.40 123.25 2h4o s VAL 6 Ca 0.03 -0.42 -0.01 0.00 -2.93 0.00 0.00 61.98 58.65 2h4o s VAL 6 Cb -0.14 -2.59 0.03 0.00 -1.53 0.00 0.00 36.38 32.14 2h4o s VAL 6 CO -0.09 0.59 -0.02 -2.28 -3.33 0.00 0.00 175.10 169.97 2h4o s HIS 7 N -0.76 0.98 0.01 1.54 5.04 -1.26 -5.14 115.29 115.70 2h4o s HIS 7 Ca 0.12 -0.42 0.02 0.00 -1.54 0.00 0.00 55.06 53.24 2h4o s HIS 7 Cb -0.11 -0.97 -0.01 0.00 0.04 0.00 0.00 32.58 31.53 2h4o s HIS 7 CO 0.02 -0.41 -0.05 -1.14 -2.34 0.00 0.00 174.74 170.81 2h4o s GLN 8 N 1.87 0.41 -0.13 2.88 0.74 -1.26 -5.12 119.66 119.05 2h4o s GLN 8 Ca 0.05 -0.33 0.01 0.00 0.05 0.00 0.00 55.36 55.14 2h4o s GLN 8 Cb -0.13 -0.32 -0.00 0.00 1.10 0.00 0.00 33.01 33.66 2h4o s GLN 8 CO -0.06 0.08 -0.18 0.42 -0.55 0.00 0.00 175.29 175.00 2h4o s ILE 9 N -0.48 2.51 -0.12 -2.34 -1.09 -1.26 -5.12 121.20 113.30 2h4o s ILE 9 Ca -0.02 -0.84 -0.00 0.00 -2.23 0.00 0.00 60.65 57.56 2h4o s ILE 9 Cb -0.04 -2.03 -0.02 0.00 -1.58 0.00 0.00 42.46 38.79 2h4o s ILE 9 CO -0.00 0.53 -0.12 0.20 -1.23 0.00 0.00 174.94 174.33 2h4o s ASN 10 N 0.60 4.16 -0.10 3.58 -0.87 -1.26 -5.09 114.94 115.95 2h4o s ASN 10 Ca -0.10 -0.27 -0.03 0.00 -1.57 0.00 0.00 52.86 50.89 2h4o s ASN 10 Cb -0.16 -1.52 0.04 0.00 -0.02 0.00 0.00 41.25 39.59 2h4o s ASN 10 CO 0.03 0.20 0.05 -0.69 -2.57 0.00 0.00 177.10 174.12 2h4o s VAL 11 N 0.17 0.08 -0.11 1.60 1.01 -1.26 -5.13 120.40 116.75 2h4o s VAL 11 Ca -0.06 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.03 2h4o s VAL 11 Cb -0.15 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.78 2h4o s VAL 11 CO 0.05 0.03 -0.21 -0.75 0.00 0.00 0.00 175.10 174.21 2h4o s LYS 12 N 2.08 2.77 0.00 2.72 2.20 -1.26 -5.09 119.74 123.16 2h4o s LYS 12 Ca 0.03 -0.77 0.00 0.00 -0.36 0.00 0.00 55.97 54.87 2h4o s LYS 12 Cb -0.14 -2.19 0.00 0.00 -1.51 0.00 0.00 37.83 34.00 2h4o s LYS 12 CO -0.06 0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 2h4o n GLY 13 N 3.84 -1.45 3.66 5.54 0.00 -1.26 -4.13 105.19 111.39 2h4o n GLY 13 Ca -0.20 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 2h4o n GLY 13 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2h4o s PHE 14 N -2.85 3.22 -0.18 1.61 5.36 0.66 -4.69 117.98 121.12 2h4o s PHE 14 Ca 0.00 1.35 -0.18 0.00 -0.96 0.00 0.00 56.93 57.15 2h4o s PHE 14 Cb 0.00 -3.33 -0.04 0.00 -0.34 0.00 0.00 43.02 39.32 2h4o s PHE 14 CO 0.00 -0.79 0.48 0.12 -1.46 0.00 0.00 175.22 173.57 2h4o s PHE 15 N 3.21 3.41 0.30 10.12 5.36 -1.26 -1.41 117.98 137.72 2h4o s PHE 15 Ca 0.47 0.77 0.05 0.00 -0.96 0.00 0.00 56.93 57.26 2h4o s PHE 15 Cb -0.17 -2.60 -0.06 0.00 -0.34 0.00 0.00 43.02 39.84 2h4o s PHE 15 CO 0.09 -0.00 0.01 0.34 -1.46 0.00 0.00 175.22 174.20 2h4o s ASP 16 N 0.97 2.45 0.00 6.13 -1.08 -0.44 -5.03 116.67 119.68 2h4o s ASP 16 Ca 0.24 -1.30 0.00 0.00 -0.52 0.00 0.00 52.55 50.97 2h4o s ASP 16 Cb -0.15 -0.11 0.00 0.00 -1.46 0.00 0.00 42.92 41.20 2h4o s ASP 16 CO 0.09 -0.51 0.00 0.47 0.52 0.00 0.00 175.17 175.74 2h4o n ASP 18 N -0.63 0.00 -0.01 -0.34 8.00 -1.26 -0.48 116.55 121.83 2h4o n ASP 18 Ca -0.04 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.45 2h4o n ASP 18 Cb 0.65 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.75 2h4o n ASP 18 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2h4o n VAL 19 N 0.00 0.17 0.00 2.53 0.31 -1.26 -5.23 118.33 114.85 2h4o n VAL 19 Ca 0.00 0.46 0.00 0.00 -0.01 0.00 0.00 64.34 64.79 2h4o n VAL 19 Cb 0.00 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 2h4o n VAL 19 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2h4o n GLU 21 N -2.72 0.00 -5.09 5.55 1.02 0.36 -4.93 120.64 114.82 2h4o n GLU 21 Ca -0.02 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.80 2h4o n GLU 21 Cb 0.06 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.32 2h4o n GLU 21 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2h4o s VAL 22 N -1.80 2.41 -0.09 2.62 1.01 0.13 -1.33 120.40 123.34 2h4o s VAL 22 Ca 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 2h4o s VAL 22 Cb 0.00 -1.93 0.03 0.00 0.00 0.00 0.00 36.38 34.48 2h4o s VAL 22 CO 0.00 0.56 0.01 0.28 0.00 0.00 0.00 175.10 175.95 2h4o s THR 23 N 0.02 0.39 -0.06 3.92 -1.32 -0.50 0.51 115.64 118.60 2h4o s THR 23 Ca -0.08 0.01 -0.04 0.00 -1.21 0.00 0.00 61.69 60.37 2h4o s THR 23 Cb -0.15 -0.61 -0.04 0.00 -1.51 0.00 0.00 72.50 70.19 2h4o s THR 23 CO 0.05 0.18 0.14 -1.83 -2.21 0.00 0.00 174.62 170.95 2h4o s GLU 24 N 1.96 3.38 -0.83 7.08 -1.05 -0.37 -0.24 118.70 128.62 2h4o s GLU 24 Ca 0.04 -0.25 -0.14 0.00 -0.15 0.00 0.00 54.97 54.47 2h4o s GLU 24 Cb -0.13 -3.10 0.22 0.00 -0.44 0.00 0.00 34.13 30.68 2h4o s GLU 24 CO -0.06 0.72 0.77 -1.14 0.95 0.00 0.00 175.26 176.51 2h4o s GLN 25 N -1.44 3.60 1.22 -4.83 2.00 -1.26 -1.63 119.66 117.32 2h4o s GLN 25 Ca 0.20 -2.46 -0.20 0.00 -2.00 0.00 0.00 55.36 50.91 2h4o s GLN 25 Cb -0.12 -4.43 0.29 0.00 0.80 0.00 0.00 33.01 29.55 2h4o s GLN 25 CO 0.10 -1.30 1.12 0.99 -0.50 0.00 0.00 175.29 175.71 2h4o s THR 26 N 0.19 1.57 0.14 -0.34 2.01 0.17 -4.96 115.64 114.42 2h4o s THR 26 Ca 0.18 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.18 2h4o s THR 26 Cb -0.10 -2.51 -0.18 0.00 0.01 0.00 0.00 72.50 69.72 2h4o s THR 26 CO -0.09 0.00 1.32 0.07 -0.69 0.00 0.00 174.62 175.23 2h4o h LYS 27 N -2.62 0.26 0.00 4.92 -0.00 -2.05 -3.37 116.57 113.70 2h4o h LYS 27 Ca -0.44 -0.31 -0.19 0.00 -0.00 0.00 0.00 60.65 59.72 2h4o h LYS 27 Cb 1.29 0.09 -0.03 0.00 -0.00 0.00 0.00 32.23 33.58 2h4o h LYS 27 CO 0.31 1.04 -1.10 1.05 -0.00 0.00 0.00 179.45 180.76 2h4o h GLU 28 N 0.13 0.00 -4.70 0.07 4.11 -2.02 -3.50 114.58 108.68 2h4o h GLU 28 Ca -0.07 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.03 2h4o h GLU 28 Cb 1.60 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.71 2h4o h GLU 28 CO 0.15 0.82 -0.55 0.00 0.07 0.00 0.00 179.01 179.51 2h4o s ALA 29 N -2.42 1.43 -0.51 1.06 0.00 -1.26 -5.12 121.76 114.94 2h4o s ALA 29 Ca -0.26 -1.84 -0.02 0.00 0.00 0.00 0.00 51.96 49.83 2h4o s ALA 29 Cb 0.05 1.42 0.13 0.00 0.00 0.00 0.00 23.12 24.72 2h4o s ALA 29 CO 0.53 -0.63 0.31 -2.00 0.00 0.00 0.00 175.76 173.96 2h4o s GLU 30 N -3.83 2.24 0.33 0.00 2.12 -1.26 -0.65 118.70 117.65 2h4o s GLU 30 Ca 0.39 -2.18 -0.26 0.00 0.36 0.00 0.00 54.97 53.28 2h4o s GLU 30 Cb 0.05 -3.63 -0.10 0.00 0.26 0.00 0.00 34.13 30.71 2h4o s GLU 30 CO 0.19 -1.12 0.96 0.71 -0.54 0.00 0.00 175.26 175.46 2h4o s TYR 31 N 0.52 3.64 -0.12 5.30 2.02 -0.65 -4.91 117.35 123.15 2h4o s TYR 31 Ca 0.13 1.77 -0.00 0.00 -0.37 0.00 0.00 57.07 58.59 2h4o s TYR 31 Cb -0.22 -2.95 0.03 0.00 -0.40 0.00 0.00 41.96 38.42 2h4o s TYR 31 CO -0.04 0.11 -0.07 0.99 -1.57 0.00 0.00 175.55 174.97 2h4o s THR 32 N -1.63 1.01 -0.02 -0.71 2.01 -1.26 -1.24 115.64 113.81 2h4o s THR 32 Ca 0.51 -0.31 0.03 0.00 0.31 0.00 0.00 61.69 62.23 2h4o s THR 32 Cb -0.19 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 2h4o s THR 32 CO 0.24 0.34 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.11 2h4o s TYR 33 N 1.71 2.84 -0.38 4.92 2.02 0.18 -4.98 117.35 123.66 2h4o s TYR 33 Ca 0.04 -0.06 -0.16 0.00 -0.37 0.00 0.00 57.07 56.52 2h4o s TYR 33 Cb -0.13 -1.62 0.01 0.00 -0.40 0.00 0.00 41.96 39.81 2h4o s TYR 33 CO -0.08 0.32 0.38 0.16 -1.57 0.00 0.00 175.55 174.76 2h4o s ASP 34 N -1.16 6.17 0.47 2.29 3.84 -1.26 0.17 116.67 127.19 2h4o s ASP 34 Ca 0.15 -0.52 0.17 0.00 -0.00 0.00 0.00 52.55 52.35 2h4o s ASP 34 Cb -0.11 -2.20 1.17 0.00 -1.38 0.00 0.00 42.92 40.40 2h4o s ASP 34 CO 0.05 -0.45 2.01 0.15 -0.00 0.00 0.00 175.17 176.93 2h4o h PHE 35 N 8.60 0.25 0.39 2.11 3.57 -1.90 -2.60 116.94 127.36 2h4o h PHE 35 Ca -0.28 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.22 2h4o h PHE 35 Cb 1.13 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 2h4o h PHE 35 CO 0.64 0.12 -0.30 -0.22 -2.23 0.00 0.00 178.31 176.31 2h4o h LYS 36 N 0.24 -0.67 -0.06 1.11 3.64 -1.91 0.48 116.57 119.39 2h4o h LYS 36 Ca 0.23 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.67 2h4o h LYS 36 Cb 0.61 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 2h4o h LYS 36 CO -0.05 -0.45 0.00 1.49 -2.27 0.00 0.00 179.45 178.18 2h4o h GLU 37 N -0.69 0.02 0.03 1.90 4.57 -1.90 -1.18 114.58 117.32 2h4o h GLU 37 Ca -0.03 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.17 2h4o h GLU 37 Cb 0.60 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.14 2h4o h GLU 37 CO -0.01 0.02 -0.26 0.82 -1.18 0.00 0.00 179.01 178.40 2h4o h ILE 38 N 0.02 0.42 -0.94 2.32 2.04 -1.33 -2.40 117.51 117.63 2h4o h ILE 38 Ca 0.03 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.00 2h4o h ILE 38 Cb 0.03 0.42 -0.08 0.00 -0.74 0.00 0.00 36.82 36.45 2h4o h ILE 38 CO -0.05 0.00 0.58 0.25 0.00 0.00 0.00 178.15 178.93 2h4o h LEU 39 N -0.41 0.84 -1.86 1.44 5.85 0.14 -2.19 115.31 119.12 2h4o h LEU 39 Ca 0.06 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2h4o h LEU 39 Cb 0.48 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 2h4o h LEU 39 CO -0.21 0.46 -0.07 0.77 -0.34 0.00 0.00 178.44 179.05 2h4o h SER 40 N 0.93 0.00 0.00 1.25 4.64 -0.70 -0.71 113.55 118.96 2h4o h SER 40 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 2h4o h SER 40 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2h4o h SER 40 CO -0.26 0.07 0.06 -0.08 -0.87 0.00 0.00 176.83 175.76 2h4o h GLU 41 N 0.00 0.00 0.00 4.77 4.81 -1.19 -1.67 114.58 121.30 2h4o h GLU 41 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2h4o h GLU 41 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2h4o h GLU 41 CO 0.01 0.00 -0.81 1.19 -0.73 0.00 0.00 179.01 178.67 2h4o n PHE 42 N -2.95 0.00 -1.67 0.92 3.01 -0.29 -5.00 117.46 111.48 2h4o n PHE 42 Ca -0.03 0.00 -0.52 0.00 1.01 0.00 0.00 57.45 57.91 2h4o n PHE 42 Cb 0.12 -0.06 -0.06 0.00 -0.01 0.00 0.00 39.48 39.48 2h4o n PHE 42 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2h4o n ASN 43 N -1.43 2.62 0.00 4.37 5.15 -0.63 -2.37 115.26 122.97 2h4o n ASN 43 Ca 0.02 1.06 0.00 0.00 -0.60 0.00 0.00 54.58 55.05 2h4o n ASN 43 Cb 0.24 -1.25 0.00 0.00 -0.53 0.00 0.00 39.78 38.23 2h4o n ASN 43 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2h4o n GLY 44 N 3.81 1.01 3.20 8.20 0.00 -1.26 -5.07 105.19 115.07 2h4o n GLY 44 Ca 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 2h4o n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2h4o s LYS 45 N -0.74 1.00 0.19 1.61 -2.85 -1.00 -5.14 119.74 112.82 2h4o s LYS 45 Ca 0.00 -1.40 -0.30 0.00 -1.00 0.00 0.00 55.97 53.27 2h4o s LYS 45 Cb 0.00 0.27 -0.08 0.00 -2.06 0.00 0.00 37.83 35.96 2h4o s LYS 45 CO 0.00 -0.31 1.21 -0.80 0.10 0.00 0.00 175.35 175.56 2h4o s ASN 46 N -3.04 7.06 0.08 0.03 0.01 -1.26 -5.03 114.94 112.79 2h4o s ASN 46 Ca 0.24 2.26 -0.04 0.00 -0.71 0.00 0.00 52.86 54.61 2h4o s ASN 46 Cb 0.06 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 39.09 2h4o s ASN 46 CO 0.02 -0.39 0.07 0.68 -1.51 0.00 0.00 177.10 175.97 2h4o s VAL 47 N -0.07 0.17 -0.23 1.60 -7.23 -1.26 -5.12 120.40 108.26 2h4o s VAL 47 Ca 0.53 -1.58 -0.02 0.00 -1.81 0.00 0.00 61.98 59.10 2h4o s VAL 47 Cb -0.33 -1.53 0.02 0.00 0.56 0.00 0.00 36.38 35.10 2h4o s VAL 47 CO 0.37 -0.79 -0.08 -0.44 -0.31 0.00 0.00 175.10 173.86 2h4o s SER 48 N -2.91 4.14 -0.23 4.85 0.01 -1.26 -5.12 113.70 113.18 2h4o s SER 48 Ca 0.09 -0.72 -0.10 0.00 1.31 0.00 0.00 55.95 56.53 2h4o s SER 48 Cb 0.07 -1.66 -0.05 0.00 0.21 0.00 0.00 66.02 64.59 2h4o s SER 48 CO -0.09 -0.08 0.13 -0.63 0.41 0.00 0.00 173.24 172.98 2h4o s ILE 49 N 1.36 5.16 -0.09 1.44 1.01 -1.26 -5.09 121.20 123.72 2h4o s ILE 49 Ca 0.02 0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.80 2h4o s ILE 49 Cb -0.15 -3.39 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 2h4o s ILE 49 CO -0.05 0.37 -0.16 -0.89 0.00 0.00 0.00 174.94 174.21 2h4o s THR 50 N 0.93 2.87 -0.24 2.92 2.01 -1.26 -5.10 115.64 117.78 2h4o s THR 50 Ca 0.07 -0.76 -0.00 0.00 0.31 0.00 0.00 61.69 61.31 2h4o s THR 50 Cb -0.13 -2.15 0.07 0.00 0.01 0.00 0.00 72.50 70.29 2h4o s THR 50 CO 0.03 0.56 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.82 2h4o s VAL 51 N -0.10 1.21 -0.03 3.82 1.01 -1.26 -5.09 120.40 119.97 2h4o s VAL 51 Ca -0.03 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 60.87 2h4o s VAL 51 Cb -0.14 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 2h4o s VAL 51 CO 0.04 -0.22 -0.09 -0.75 0.00 0.00 0.00 175.10 174.08 2h4o s LYS 52 N 1.53 2.58 -0.13 2.72 2.20 -1.26 -5.10 119.74 122.28 2h4o s LYS 52 Ca -0.02 -0.68 -0.03 0.00 -0.36 0.00 0.00 55.97 54.88 2h4o s LYS 52 Cb -0.18 -2.49 0.05 0.00 -1.51 0.00 0.00 37.83 33.69 2h4o s LYS 52 CO -0.09 0.62 0.06 -2.00 -0.36 0.00 0.00 175.35 173.59 2h4o s GLU 53 N -1.12 0.18 -0.10 4.03 2.12 -1.26 -5.12 118.70 117.44 2h4o s GLU 53 Ca 0.15 0.01 0.02 0.00 0.36 0.00 0.00 54.97 55.51 2h4o s GLU 53 Cb -0.11 -1.42 -0.01 0.00 0.26 0.00 0.00 34.13 32.85 2h4o s GLU 53 CO 0.04 -0.53 -0.17 -1.83 -0.54 0.00 0.00 175.26 172.24 2h4o s GLU 54 N 2.08 3.02 0.14 4.30 -1.05 -1.26 -5.11 118.70 120.83 2h4o s GLU 54 Ca 0.03 -0.75 0.00 0.00 -0.15 0.00 0.00 54.97 54.10 2h4o s GLU 54 Cb -0.15 -2.46 0.00 0.00 -0.44 0.00 0.00 34.13 31.09 2h4o s GLU 54 CO -0.07 0.33 0.03 0.09 0.95 0.00 0.00 175.26 176.58 2h4o n ASN 55 N 3.17 2.19 -4.95 0.83 3.02 -1.26 -5.14 115.26 113.11 2h4o n ASN 55 Ca -0.18 -1.60 -0.23 0.00 -0.03 0.00 0.00 54.58 52.54 2h4o n ASN 55 Cb 0.53 0.07 -0.00 0.00 -0.61 0.00 0.00 39.78 39.77 2h4o n ASN 55 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2h4o s GLU 56 N -2.54 3.24 -0.09 3.52 0.41 -1.26 -5.08 118.70 116.91 2h4o s GLU 56 Ca 0.02 -0.51 -0.17 0.00 -0.41 0.00 0.00 54.97 53.90 2h4o s GLU 56 Cb -0.00 -2.65 -0.05 0.00 -1.78 0.00 0.00 34.13 29.65 2h4o s GLU 56 CO 0.01 -0.04 0.44 -0.51 -0.49 0.00 0.00 175.26 174.67 2h4o s LEU 57 N -4.39 4.32 0.03 1.80 1.43 -1.26 -5.01 118.68 115.60 2h4o s LEU 57 Ca 0.44 0.81 -0.31 0.00 -1.03 0.00 0.00 54.13 54.04 2h4o s LEU 57 Cb -0.10 -2.63 -0.10 0.00 0.03 0.00 0.00 46.19 43.40 2h4o s LEU 57 CO 0.36 0.09 1.95 -0.81 0.23 0.00 0.00 176.35 178.17 2h4o n PRO 58 N 3.22 2.79 -2.04 1.29 -0.04 -1.26 -4.96 135.00 134.00 2h4o n PRO 58 Ca -0.09 1.02 -0.27 0.00 -0.04 0.00 0.00 63.50 64.12 2h4o n PRO 58 Cb 0.52 -2.96 0.17 0.00 -0.04 0.00 0.00 33.50 31.19 2h4o n PRO 58 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2h4o n VAL 59 N 5.40 0.00 -0.47 0.52 0.24 -1.26 -5.01 118.33 117.74 2h4o n VAL 59 Ca 0.20 -1.12 0.00 0.00 -2.04 0.00 0.00 64.34 61.38 2h4o n VAL 59 Cb 0.39 -1.34 0.00 0.00 -1.47 0.00 0.00 33.84 31.42 2h4o n VAL 59 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2h4o n LYS 60 N -3.44 0.00 -3.66 7.34 2.85 -1.26 -5.08 118.16 114.91 2h4o n LYS 60 Ca 0.16 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.33 2h4o n LYS 60 Cb 0.56 -0.02 -0.08 0.00 -0.65 0.00 0.00 35.03 34.84 2h4o n LYS 60 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2h4o s GLY 61 N 0.00 -0.52 0.10 2.58 0.00 -1.26 -5.16 107.32 103.06 2h4o s GLY 61 Ca 0.00 2.04 0.05 0.00 0.00 0.00 0.00 44.72 46.82 2h4o s GLY 61 CO 0.00 2.02 -0.13 0.14 0.00 0.00 0.00 173.10 175.13 2h4o s VAL 62 N 1.28 1.18 0.00 1.40 1.01 -1.26 -5.26 120.40 118.76 2h4o s VAL 62 Ca -0.08 -1.60 0.00 0.00 0.00 0.00 0.00 61.98 60.30 2h4o s VAL 62 Cb -0.06 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.94 2h4o s VAL 62 CO -0.13 -0.40 0.00 -0.62 0.00 0.00 0.00 175.10 173.94