#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dp0 s GLN 11 N 0.00 2.63 -0.06 1.43 -1.52 -1.26 -2.70 119.66 118.19 3dp0 s GLN 11 Ca 0.00 -1.12 0.05 0.00 -1.95 0.00 0.00 55.36 52.34 3dp0 s GLN 11 Cb 0.00 -3.04 -0.01 0.00 -0.22 0.00 0.00 33.01 29.73 3dp0 s GLN 11 CO 0.00 -0.50 -0.22 -0.06 -0.25 0.00 0.00 175.29 174.26 3dp0 s PHE 12 N 1.28 2.50 0.36 0.91 0.40 -0.10 -4.98 117.98 118.35 3dp0 s PHE 12 Ca -0.03 -0.59 0.07 0.00 -0.60 0.00 0.00 56.93 55.79 3dp0 s PHE 12 Cb -0.18 -1.61 -0.01 0.00 0.51 0.00 0.00 43.02 41.72 3dp0 s PHE 12 CO -0.03 -0.13 0.41 -0.06 0.70 0.00 0.00 175.22 176.11 3dp0 s PHE 13 N -0.27 2.93 0.47 0.36 0.40 -1.26 -0.85 117.98 119.76 3dp0 s PHE 13 Ca -0.00 -0.32 0.36 0.00 -0.60 0.00 0.00 56.93 56.37 3dp0 s PHE 13 Cb -0.13 -2.02 1.55 0.00 0.51 0.00 0.00 43.02 42.93 3dp0 s PHE 13 CO 0.03 -0.03 1.58 0.97 0.70 0.00 0.00 175.22 178.47 3dp0 h ILE 14 N 0.99 0.02 -0.35 0.64 6.09 -1.86 0.33 117.51 123.36 3dp0 h ILE 14 Ca -0.44 -0.00 -0.10 0.00 -1.37 0.00 0.00 64.86 62.95 3dp0 h ILE 14 Cb 1.26 0.01 -0.01 0.00 0.47 0.00 0.00 36.82 38.55 3dp0 h ILE 14 CO 0.54 0.00 -0.15 -0.33 -3.07 0.00 0.00 178.15 175.14 3dp0 h GLU 15 N 0.01 0.73 -0.29 2.19 3.07 -1.93 0.74 114.58 119.09 3dp0 h GLU 15 Ca 0.89 -0.31 -0.12 0.00 -0.50 0.00 0.00 59.36 59.32 3dp0 h GLU 15 Cb 3.03 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 30.91 3dp0 h GLU 15 CO -0.36 0.91 -0.32 0.45 -1.40 0.00 0.00 179.01 178.29 3dp0 h HIS 16 N 0.51 0.72 -0.44 4.33 3.86 -0.75 -2.97 115.15 120.41 3dp0 h HIS 16 Ca 0.08 -0.18 -0.04 0.00 -1.16 0.00 0.00 60.37 59.06 3dp0 h HIS 16 Cb 0.69 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.97 3dp0 h HIS 16 CO 0.06 0.87 0.11 0.82 0.86 0.00 0.00 177.93 180.64 3dp0 h ILE 17 N 0.53 1.23 -0.01 2.45 2.04 -1.04 -2.72 117.51 119.98 3dp0 h ILE 17 Ca 0.06 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3dp0 h ILE 17 Cb 0.81 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3dp0 h ILE 17 CO 0.07 0.29 0.02 -0.07 0.00 0.00 0.00 178.15 178.45 3dp0 h LEU 18 N 0.58 0.00 0.00 1.44 3.38 -0.70 -1.20 115.31 118.81 3dp0 h LEU 18 Ca 0.14 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 3dp0 h LEU 18 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3dp0 h LEU 18 CO 0.00 0.00 -0.64 1.56 0.09 0.00 0.00 178.44 179.45 3dp0 h GLN 19 N 0.00 0.00 0.00 1.13 4.20 -1.36 -3.39 115.11 115.69 3dp0 h GLN 19 Ca 0.01 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 3dp0 h GLN 19 Cb 0.04 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 3dp0 h GLN 19 CO -0.00 0.40 -1.48 -0.89 -0.67 0.00 0.00 178.83 176.19 3dp0 n ILE 20 N -3.13 1.51 -2.74 2.54 2.08 -0.76 -4.61 119.36 114.23 3dp0 n ILE 20 Ca 0.00 -0.06 -0.38 0.00 0.56 0.00 0.00 62.75 62.87 3dp0 n ILE 20 Cb 0.73 -2.11 -0.06 0.00 -0.75 0.00 0.00 39.64 37.45 3dp0 n ILE 20 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3dp0 s LEU 21 N -7.83 4.42 0.11 1.39 1.43 -0.53 -4.84 118.68 112.83 3dp0 s LEU 21 Ca -0.29 1.90 0.25 0.00 -1.03 0.00 0.00 54.13 54.95 3dp0 s LEU 21 Cb 0.08 -3.90 0.47 0.00 0.03 0.00 0.00 46.19 42.87 3dp0 s LEU 21 CO 0.46 -0.03 1.42 -0.81 0.23 0.00 0.00 176.35 177.62 3dp0 n PRO 22 N 0.81 0.24 -1.85 1.29 -0.04 -1.26 -4.72 135.00 129.46 3dp0 n PRO 22 Ca 0.01 0.09 -0.40 0.00 -0.04 0.00 0.00 63.50 63.15 3dp0 n PRO 22 Cb 0.49 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 3dp0 n PRO 22 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3dp0 s HIS 23 N -3.13 2.61 0.33 0.54 3.76 -1.26 -5.03 115.29 113.11 3dp0 s HIS 23 Ca 0.08 1.24 0.04 0.00 -0.15 0.00 0.00 55.06 56.27 3dp0 s HIS 23 Cb 0.14 -3.93 -0.03 0.00 1.11 0.00 0.00 32.58 29.87 3dp0 s HIS 23 CO 0.69 -2.79 0.18 1.03 -0.85 0.00 0.00 174.74 173.01 3dp0 s ARG 24 N -2.20 1.69 0.33 1.40 1.81 -1.26 -4.65 118.95 116.07 3dp0 s ARG 24 Ca 0.55 -1.98 -0.29 0.00 -1.72 0.00 0.00 55.73 52.30 3dp0 s ARG 24 Cb -0.44 -0.07 -0.12 0.00 -0.45 0.00 0.00 34.95 33.87 3dp0 s ARG 24 CO 0.59 -0.51 1.39 0.98 -0.68 0.00 0.00 175.30 177.07 3dp0 n TYR 25 N -0.64 2.51 -1.79 -0.53 4.19 -1.26 0.20 117.16 119.83 3dp0 n TYR 25 Ca 0.01 0.47 -0.36 0.00 3.31 0.00 0.00 57.90 61.34 3dp0 n TYR 25 Cb 0.64 -2.47 0.05 0.00 0.49 0.00 0.00 39.34 38.05 3dp0 n TYR 25 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3dp0 n PRO 26 N 0.93 2.86 -0.01 2.98 -0.04 -1.26 -4.93 135.00 135.54 3dp0 n PRO 26 Ca 0.05 -3.59 0.00 0.00 -0.04 0.00 0.00 63.50 59.93 3dp0 n PRO 26 Cb 0.36 -2.28 0.01 0.00 -0.04 0.00 0.00 33.50 31.55 3dp0 n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3dp0 n MET 27 N -0.67 2.39 -3.22 0.54 2.81 0.13 -4.93 117.12 114.16 3dp0 n MET 27 Ca 0.55 -1.36 -0.44 0.00 -1.81 0.00 0.00 57.70 54.63 3dp0 n MET 27 Cb 0.46 -0.93 -0.06 0.00 -0.71 0.00 0.00 33.22 31.98 3dp0 n MET 27 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3dp0 s LEU 28 N -0.89 5.30 -0.38 4.03 2.96 -1.11 -4.65 118.68 123.93 3dp0 s LEU 28 Ca 0.01 -1.17 0.06 0.00 -0.22 0.00 0.00 54.13 52.81 3dp0 s LEU 28 Cb 0.01 -2.33 0.60 0.00 0.50 0.00 0.00 46.19 44.97 3dp0 s LEU 28 CO 0.00 -0.86 1.73 0.18 -1.32 0.00 0.00 176.35 176.07 3dp0 n LEU 29 N 5.88 5.63 -3.88 -0.68 4.77 -1.26 -4.88 117.00 122.57 3dp0 n LEU 29 Ca -0.09 -3.69 -0.24 0.00 -0.03 0.00 0.00 56.01 51.95 3dp0 n LEU 29 Cb 0.44 -0.75 -0.17 0.00 -2.33 0.00 0.00 43.42 40.61 3dp0 n LEU 29 CO 0.53 1.15 -0.42 -0.69 -1.33 0.00 0.00 177.39 176.63 3dp0 s VAL 30 N -3.29 0.76 -0.18 4.08 1.01 -1.26 -4.56 120.40 116.96 3dp0 s VAL 30 Ca 0.52 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.40 3dp0 s VAL 30 Cb 0.45 -0.80 -0.22 0.00 0.00 0.00 0.00 36.38 35.81 3dp0 s VAL 30 CO 0.06 0.31 0.11 0.47 0.00 0.00 0.00 175.10 176.05 3dp0 n ASP 31 N 4.66 1.22 -3.65 3.32 8.00 0.09 -4.93 116.55 125.25 3dp0 n ASP 31 Ca -0.15 0.06 -0.15 0.00 0.71 0.00 0.00 54.79 55.25 3dp0 n ASP 31 Cb 0.50 -0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.52 3dp0 n ASP 31 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3dp0 s ARG 32 N -2.53 0.82 -0.26 -1.24 3.52 -0.94 -2.66 118.95 115.66 3dp0 s ARG 32 Ca -0.20 0.10 -0.03 0.00 -0.13 0.00 0.00 55.73 55.46 3dp0 s ARG 32 Cb 0.07 0.38 0.02 0.00 -1.56 0.00 0.00 34.95 33.86 3dp0 s ARG 32 CO 0.74 -0.23 -0.02 0.42 -0.81 0.00 0.00 175.30 175.40 3dp0 s ILE 33 N -1.09 3.21 -0.12 4.11 1.01 -0.03 -1.24 121.20 127.06 3dp0 s ILE 33 Ca -0.11 -0.89 0.17 0.00 0.00 0.00 0.00 60.65 59.82 3dp0 s ILE 33 Cb -0.03 -2.63 -0.19 0.00 0.01 0.00 0.00 42.46 39.62 3dp0 s ILE 33 CO 0.06 0.18 0.61 0.35 0.00 0.00 0.00 174.94 176.14 3dp0 n THR 34 N 4.73 1.17 -3.80 2.92 -2.24 -0.31 -0.92 114.28 115.83 3dp0 n THR 34 Ca -0.16 -0.72 -0.13 0.00 -2.27 0.00 0.00 64.05 60.77 3dp0 n THR 34 Cb 0.48 -0.65 -0.12 0.00 -2.10 0.00 0.00 70.33 67.93 3dp0 n THR 34 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3dp0 s GLU 35 N -2.84 0.21 -0.18 -0.78 2.12 -0.75 -4.44 118.70 112.03 3dp0 s GLU 35 Ca -0.05 0.27 -0.07 0.00 0.36 0.00 0.00 54.97 55.49 3dp0 s GLU 35 Cb 0.09 0.08 0.08 0.00 0.26 0.00 0.00 34.13 34.64 3dp0 s GLU 35 CO 0.83 -0.04 0.38 -1.17 -0.54 0.00 0.00 175.26 174.72 3dp0 s LEU 36 N 0.19 -0.49 -0.23 2.70 2.96 -1.25 -0.93 118.68 121.64 3dp0 s LEU 36 Ca -0.01 0.88 0.02 0.00 -0.22 0.00 0.00 54.13 54.80 3dp0 s LEU 36 Cb -0.02 1.19 0.05 0.00 0.50 0.00 0.00 46.19 47.90 3dp0 s LEU 36 CO -0.00 -0.23 -0.11 -1.10 -1.32 0.00 0.00 176.35 173.59 3dp0 s GLN 37 N 2.42 2.16 0.26 1.98 -0.21 0.91 -4.77 119.66 122.41 3dp0 s GLN 37 Ca -0.02 -1.05 -0.29 0.00 0.02 0.00 0.00 55.36 54.01 3dp0 s GLN 37 Cb -0.12 -2.64 -0.14 0.00 1.00 0.00 0.00 33.01 31.11 3dp0 s GLN 37 CO -0.12 -0.48 1.06 0.00 -2.12 0.00 0.00 175.29 173.63 3dp0 n ALA 38 N 4.58 -0.31 -0.28 6.09 0.00 -1.26 -1.16 120.51 128.16 3dp0 n ALA 38 Ca -0.15 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3dp0 n ALA 38 Cb 0.45 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.87 3dp0 n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dp0 n ASN 39 N 1.45 0.00 -0.01 0.00 4.13 -1.26 -4.65 115.26 114.93 3dp0 n ASN 39 Ca 0.11 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.33 3dp0 n ASN 39 Cb 0.30 -1.90 -0.01 0.00 -1.54 0.00 0.00 39.78 36.63 3dp0 n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3dp0 n GLN 40 N -1.71 0.21 -3.61 3.52 1.13 -0.66 -4.63 117.38 111.63 3dp0 n GLN 40 Ca 0.00 0.09 -0.08 0.00 -1.94 0.00 0.00 57.00 55.06 3dp0 n GLN 40 Cb 0.00 -0.88 -0.02 0.00 0.11 0.00 0.00 30.24 29.46 3dp0 n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 3dp0 s LYS 41 N -2.36 1.23 0.02 -1.09 -2.85 -0.31 -0.39 119.74 114.00 3dp0 s LYS 41 Ca -0.12 -0.57 0.00 0.00 -1.00 0.00 0.00 55.97 54.28 3dp0 s LYS 41 Cb 0.02 0.49 -0.02 0.00 -2.06 0.00 0.00 37.83 36.26 3dp0 s LYS 41 CO 0.17 -0.55 -0.04 -1.50 0.10 0.00 0.00 175.35 173.54 3dp0 s ILE 42 N -3.50 0.17 -0.08 3.79 2.07 -0.42 -0.06 121.20 123.16 3dp0 s ILE 42 Ca 0.07 -0.99 -0.02 0.00 -1.41 0.00 0.00 60.65 58.30 3dp0 s ILE 42 Cb -0.02 -0.39 0.03 0.00 0.13 0.00 0.00 42.46 42.22 3dp0 s ILE 42 CO -0.04 -0.52 0.03 -0.69 -1.91 0.00 0.00 174.94 171.81 3dp0 s VAL 43 N -1.62 0.21 0.30 4.00 1.01 -0.11 -2.06 120.40 122.12 3dp0 s VAL 43 Ca -0.14 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.00 3dp0 s VAL 43 Cb -0.09 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 3dp0 s VAL 43 CO -0.01 0.14 0.26 0.00 0.00 0.00 0.00 175.10 175.48 3dp0 s ALA 44 N 2.03 1.58 0.18 5.51 0.00 -0.58 -1.16 121.76 129.32 3dp0 s ALA 44 Ca 0.04 -1.92 -0.17 0.00 0.00 0.00 0.00 51.96 49.90 3dp0 s ALA 44 Cb -0.13 1.43 0.03 0.00 0.00 0.00 0.00 23.12 24.45 3dp0 s ALA 44 CO -0.05 -0.66 0.50 1.52 0.00 0.00 0.00 175.76 177.08 3dp0 s TYR 45 N -3.62 -0.15 -0.03 0.00 1.13 -0.37 0.18 117.35 114.49 3dp0 s TYR 45 Ca 0.39 -0.18 0.02 0.00 -1.41 0.00 0.00 57.07 55.89 3dp0 s TYR 45 Cb 0.03 0.37 0.01 0.00 -1.10 0.00 0.00 41.96 41.27 3dp0 s TYR 45 CO 0.23 -0.88 -0.08 0.21 -2.51 0.00 0.00 175.55 172.52 3dp0 s LYS 46 N -3.86 0.94 0.20 -3.49 2.20 -0.55 -0.74 119.74 114.45 3dp0 s LYS 46 Ca 0.08 -0.26 -0.26 0.00 -0.36 0.00 0.00 55.97 55.16 3dp0 s LYS 46 Cb -0.00 -0.88 -0.08 0.00 -1.51 0.00 0.00 37.83 35.35 3dp0 s LYS 46 CO -0.05 0.07 0.83 -0.80 -0.36 0.00 0.00 175.35 175.05 3dp0 s ASN 47 N 0.33 7.44 -0.24 1.43 0.01 -1.26 -1.40 114.94 121.26 3dp0 s ASN 47 Ca -0.05 1.73 -0.06 0.00 -0.71 0.00 0.00 52.86 53.77 3dp0 s ASN 47 Cb -0.10 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 39.01 3dp0 s ASN 47 CO 0.01 0.17 0.02 -0.63 -1.51 0.00 0.00 177.10 175.16 3dp0 s ILE 48 N -1.21 3.94 0.20 0.60 -1.09 -0.02 -4.93 121.20 118.68 3dp0 s ILE 48 Ca 0.39 -0.30 0.07 0.00 -2.23 0.00 0.00 60.65 58.57 3dp0 s ILE 48 Cb -0.23 -2.82 -0.05 0.00 -1.58 0.00 0.00 42.46 37.78 3dp0 s ILE 48 CO 0.27 0.38 -0.12 0.28 -1.23 0.00 0.00 174.94 174.52 3dp0 s THR 49 N 1.53 1.56 0.31 2.92 -1.32 -1.26 0.16 115.64 119.54 3dp0 s THR 49 Ca 0.06 -2.16 0.14 0.00 -1.21 0.00 0.00 61.69 58.52 3dp0 s THR 49 Cb -0.15 -2.05 0.08 0.00 -1.51 0.00 0.00 72.50 68.88 3dp0 s THR 49 CO 0.01 -0.59 1.77 0.15 -2.21 0.00 0.00 174.62 173.75 3dp0 h PHE 50 N 2.58 0.00 0.00 9.09 3.57 -1.96 -3.29 116.94 126.94 3dp0 h PHE 50 Ca -0.38 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.12 3dp0 h PHE 50 Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 3dp0 h PHE 50 CO 0.69 0.42 0.00 -1.71 -2.23 0.00 0.00 178.31 175.48 3dp0 n ASN 51 N -3.89 1.23 -4.46 0.41 4.05 -1.26 -4.74 115.26 106.60 3dp0 n ASN 51 Ca -0.01 -0.83 -0.33 0.00 0.45 0.00 0.00 54.58 53.86 3dp0 n ASN 51 Cb 0.47 -0.21 -0.13 0.00 1.23 0.00 0.00 39.78 41.14 3dp0 n ASN 51 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3dp0 s GLU 52 N 0.63 2.87 0.38 1.20 2.02 -1.24 -5.02 118.70 119.54 3dp0 s GLU 52 Ca 0.00 -0.66 0.12 0.00 0.02 0.00 0.00 54.97 54.45 3dp0 s GLU 52 Cb 0.00 -2.52 0.92 0.00 0.10 0.00 0.00 34.13 32.63 3dp0 s GLU 52 CO 0.00 0.49 1.89 0.22 0.02 0.00 0.00 175.26 177.88 3dp0 h ASP 53 N 5.80 0.54 -0.79 -0.19 3.58 -1.95 -2.28 116.42 121.13 3dp0 h ASP 53 Ca -0.40 0.03 0.19 0.00 0.42 0.00 0.00 57.03 57.28 3dp0 h ASP 53 Cb 1.18 -0.07 -0.05 0.00 1.72 0.00 0.00 39.33 42.11 3dp0 h ASP 53 CO 0.53 0.28 0.54 -0.37 -2.88 0.00 0.00 179.24 177.34 3dp0 h VAL 54 N 0.58 0.69 0.00 2.25 -1.51 -1.95 -0.97 116.25 115.33 3dp0 h VAL 54 Ca 0.42 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.81 3dp0 h VAL 54 Cb 0.78 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 3dp0 h VAL 54 CO -0.17 0.04 0.00 0.49 -1.23 0.00 0.00 177.57 176.70 3dp0 n PHE 55 N -4.42 0.00 0.23 5.19 0.99 -0.86 -2.26 117.46 116.34 3dp0 n PHE 55 Ca 0.16 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.72 3dp0 n PHE 55 Cb 0.71 -0.29 0.42 0.00 -1.00 0.00 0.00 39.48 39.31 3dp0 n PHE 55 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 3dp0 h ASN 56 N 0.00 0.00 0.00 4.37 2.35 -1.36 -3.33 115.58 117.61 3dp0 h ASN 56 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dp0 h ASN 56 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3dp0 h ASN 56 CO 0.00 0.15 0.00 0.61 -1.65 0.00 0.00 177.43 176.54 3dp0 n GLY 57 N 0.42 -0.31 2.21 2.83 0.00 -0.96 -4.19 105.19 105.20 3dp0 n GLY 57 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 3dp0 n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3dp0 n HIS 58 N -0.18 0.02 -4.19 1.61 -0.00 -0.99 -4.47 115.22 107.02 3dp0 n HIS 58 Ca 0.00 -3.66 -0.13 0.00 -0.00 0.00 0.00 57.72 53.93 3dp0 n HIS 58 Cb 0.34 -0.38 -0.10 0.00 -0.00 0.00 0.00 29.99 29.85 3dp0 n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3dp0 s PHE 59 N -1.59 1.04 0.10 1.57 0.40 -0.16 -1.03 117.98 118.31 3dp0 s PHE 59 Ca 0.37 -0.79 -0.35 0.00 -0.60 0.00 0.00 56.93 55.56 3dp0 s PHE 59 Cb 0.22 -0.56 -0.14 0.00 0.51 0.00 0.00 43.02 43.04 3dp0 s PHE 59 CO -0.10 -0.04 1.55 -0.35 0.70 0.00 0.00 175.22 176.98 3dp0 n PRO 60 N 0.12 1.85 -0.83 0.24 -0.04 -1.26 -0.59 135.00 134.49 3dp0 n PRO 60 Ca -0.13 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 3dp0 n PRO 60 Cb 0.60 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 3dp0 n PRO 60 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3dp0 n ASN 61 N 3.57 0.00 -3.15 3.54 3.02 -1.26 -4.89 115.26 116.09 3dp0 n ASN 61 Ca 0.18 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.58 3dp0 n ASN 61 Cb 0.26 -0.71 -0.05 0.00 -0.61 0.00 0.00 39.78 38.66 3dp0 n ASN 61 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3dp0 s LYS 62 N -0.28 0.91 -0.15 3.52 2.20 0.24 -5.13 119.74 121.05 3dp0 s LYS 62 Ca 0.00 -1.39 -0.29 0.00 -0.36 0.00 0.00 55.97 53.93 3dp0 s LYS 62 Cb 0.00 -0.70 -0.04 0.00 -1.51 0.00 0.00 37.83 35.57 3dp0 s LYS 62 CO 0.00 -1.32 1.74 -1.25 -0.36 0.00 0.00 175.35 174.16 3dp0 s PRO 63 N 0.72 3.84 -0.10 4.03 0.04 -1.23 -0.98 135.00 141.32 3dp0 s PRO 63 Ca 0.28 1.94 -0.03 0.00 0.04 0.00 0.00 61.00 63.23 3dp0 s PRO 63 Cb -0.02 -4.08 0.04 0.00 0.04 0.00 0.00 34.50 30.48 3dp0 s PRO 63 CO -0.10 -1.26 0.05 0.42 0.04 0.00 0.00 177.00 176.15 3dp0 s ILE 64 N 5.24 0.12 0.19 0.56 1.01 -0.20 -4.56 121.20 123.57 3dp0 s ILE 64 Ca 0.78 0.07 -0.32 0.00 0.00 0.00 0.00 60.65 61.17 3dp0 s ILE 64 Cb -0.30 -0.48 -0.12 0.00 0.01 0.00 0.00 42.46 41.57 3dp0 s ILE 64 CO 0.32 0.04 1.72 0.33 0.00 0.00 0.00 174.94 177.34 3dp0 n PHE 65 N 5.22 2.67 -1.73 3.97 7.35 -0.38 -4.61 117.46 129.95 3dp0 n PHE 65 Ca -0.06 0.05 -0.42 0.00 -0.76 0.00 0.00 57.45 56.26 3dp0 n PHE 65 Cb 0.49 -2.66 -0.02 0.00 0.35 0.00 0.00 39.48 37.64 3dp0 n PHE 65 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3dp0 n PRO 66 N 4.05 2.67 -0.22 -7.13 -0.02 -1.26 -4.61 135.00 128.49 3dp0 n PRO 66 Ca 0.16 0.95 0.01 0.00 -2.02 0.00 0.00 63.50 62.60 3dp0 n PRO 66 Cb 0.34 -2.75 0.25 0.00 -0.02 0.00 0.00 33.50 31.32 3dp0 n PRO 66 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3dp0 h GLY 67 N 5.27 1.06 2.00 -1.23 0.00 -1.99 -0.97 103.07 107.21 3dp0 h GLY 67 Ca -0.46 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.45 3dp0 h GLY 67 CO 0.83 0.38 -0.11 -0.39 0.00 0.00 0.00 176.54 177.26 3dp0 h VAL 68 N 1.02 0.43 0.00 4.60 -1.51 -2.00 -1.55 116.25 117.24 3dp0 h VAL 68 Ca 0.28 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 3dp0 h VAL 68 Cb -0.11 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 30.47 3dp0 h VAL 68 CO -0.06 0.11 -0.21 -0.07 -1.23 0.00 0.00 177.57 176.11 3dp0 h LEU 69 N 0.00 0.00 -0.14 4.19 3.38 -1.56 -1.89 115.31 119.29 3dp0 h LEU 69 Ca -0.00 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 3dp0 h LEU 69 Cb 0.41 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.17 3dp0 h LEU 69 CO 0.01 0.00 -0.74 0.40 0.09 0.00 0.00 178.44 178.21 3dp0 h ILE 70 N 0.00 1.29 -0.47 1.22 2.04 -0.88 -2.28 117.51 118.43 3dp0 h ILE 70 Ca 0.00 -1.95 -0.10 0.00 1.00 0.00 0.00 64.86 63.80 3dp0 h ILE 70 Cb 0.99 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 39.09 3dp0 h ILE 70 CO 0.00 0.61 -0.12 0.58 0.00 0.00 0.00 178.15 179.23 3dp0 h VAL 71 N 0.46 1.26 -0.85 1.67 2.07 -1.38 -2.20 116.25 117.29 3dp0 h VAL 71 Ca -0.05 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.22 3dp0 h VAL 71 Cb 1.37 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 3dp0 h VAL 71 CO 0.15 0.42 0.44 -0.08 0.02 0.00 0.00 177.57 178.52 3dp0 h GLU 72 N 0.78 1.21 -0.05 1.57 4.57 -1.26 -0.01 114.58 121.39 3dp0 h GLU 72 Ca 0.13 -0.16 -0.10 0.00 -1.18 0.00 0.00 59.36 58.05 3dp0 h GLU 72 Cb 0.63 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 3dp0 h GLU 72 CO 0.04 0.91 -0.43 0.78 -1.18 0.00 0.00 179.01 179.14 3dp0 h GLY 73 N 1.20 0.12 1.42 1.92 0.00 -1.18 -0.72 103.07 105.84 3dp0 h GLY 73 Ca 0.30 -0.11 -0.20 0.00 0.00 0.00 0.00 47.33 47.31 3dp0 h GLY 73 CO -0.04 0.10 -0.75 -0.33 0.00 0.00 0.00 176.54 175.52 3dp0 h MET 74 N 0.09 0.57 -0.02 4.80 2.86 -0.81 -1.94 114.93 120.47 3dp0 h MET 74 Ca 0.01 -0.46 -0.00 0.00 -2.06 0.00 0.00 59.70 57.18 3dp0 h MET 74 Cb 0.80 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.55 3dp0 h MET 74 CO 0.06 1.09 0.01 0.00 1.06 0.00 0.00 176.91 179.13 3dp0 h ALA 75 N 0.78 0.03 -1.01 6.32 0.00 -0.63 0.26 119.26 125.01 3dp0 h ALA 75 Ca -0.04 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3dp0 h ALA 75 Cb 1.35 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 3dp0 h ALA 75 CO 0.14 -0.38 0.67 1.96 0.00 0.00 0.00 179.25 181.64 3dp0 h GLN 76 N -0.14 1.31 -0.40 0.00 4.20 -1.14 0.53 115.11 119.46 3dp0 h GLN 76 Ca 0.01 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 3dp0 h GLN 76 Cb 0.19 -0.30 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 3dp0 h GLN 76 CO -0.00 0.87 0.18 0.77 -0.67 0.00 0.00 178.83 179.98 3dp0 h SER 77 N 1.35 0.53 -0.41 1.46 0.02 -1.12 -0.12 113.55 115.26 3dp0 h SER 77 Ca 0.37 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 61.11 3dp0 h SER 77 Cb -0.13 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 3dp0 h SER 77 CO -0.09 0.53 -0.03 1.23 -1.14 0.00 0.00 176.83 177.33 3dp0 h GLY 78 N 0.50 0.81 1.68 -3.77 0.00 -0.05 -0.64 103.07 101.59 3dp0 h GLY 78 Ca 0.14 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 3dp0 h GLY 78 CO -0.02 0.57 0.02 -1.33 0.00 0.00 0.00 176.54 175.78 3dp0 h GLY 79 N 0.58 0.44 1.23 4.60 0.00 0.18 -0.01 103.07 110.09 3dp0 h GLY 79 Ca 0.11 -0.24 -0.14 0.00 0.00 0.00 0.00 47.33 47.07 3dp0 h GLY 79 CO 0.03 0.22 -0.33 -2.75 0.00 0.00 0.00 176.54 173.70 3dp0 h PHE 80 N 0.40 1.01 -0.09 5.60 3.57 -0.63 -1.24 116.94 125.55 3dp0 h PHE 80 Ca 0.09 -0.28 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 3dp0 h PHE 80 Cb 0.24 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 3dp0 h PHE 80 CO 0.01 1.07 0.03 1.25 -2.23 0.00 0.00 178.31 178.44 3dp0 h LEU 81 N 0.71 0.13 -0.24 0.59 5.85 -0.22 -2.19 115.31 119.95 3dp0 h LEU 81 Ca 0.07 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3dp0 h LEU 81 Cb 0.90 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 3dp0 h LEU 81 CO 0.08 0.28 0.10 0.00 -0.34 0.00 0.00 178.44 178.56 3dp0 h ALA 82 N 0.86 0.31 0.79 1.25 0.00 -1.01 -1.98 119.26 119.48 3dp0 h ALA 82 Ca 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3dp0 h ALA 82 Cb 0.19 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3dp0 h ALA 82 CO -0.00 -0.10 -0.47 0.35 0.00 0.00 0.00 179.25 179.02 3dp0 h PHE 83 N 0.23 -1.25 0.00 0.00 3.57 -1.19 -2.83 116.94 115.47 3dp0 h PHE 83 Ca 0.08 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 3dp0 h PHE 83 Cb 0.17 0.44 -0.00 0.00 2.79 0.00 0.00 35.95 39.35 3dp0 h PHE 83 CO -0.01 -0.71 -0.01 1.79 -2.23 0.00 0.00 178.31 177.14 3dp0 h THR 84 N -1.18 0.86 -0.96 4.41 1.35 -1.44 -1.51 112.91 114.44 3dp0 h THR 84 Ca -0.11 -0.03 0.03 0.00 -0.55 0.00 0.00 66.41 65.75 3dp0 h THR 84 Cb 0.94 1.02 -0.05 0.00 -1.73 0.00 0.00 68.15 68.33 3dp0 h THR 84 CO 0.12 0.01 0.63 0.28 -0.25 0.00 0.00 175.52 176.31 3dp0 h SER 85 N 0.00 1.07 0.19 5.36 0.02 -1.11 1.10 113.55 120.18 3dp0 h SER 85 Ca -0.00 -0.02 -0.35 0.00 -0.84 0.00 0.00 61.79 60.58 3dp0 h SER 85 Cb 0.02 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.31 3dp0 h SER 85 CO 0.00 0.75 -1.78 -0.07 -1.14 0.00 0.00 176.83 174.59 3dp0 h LEU 86 N 1.25 0.60 -0.80 5.07 3.38 -1.23 -3.42 115.31 120.16 3dp0 h LEU 86 Ca 0.37 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.41 3dp0 h LEU 86 Cb -0.05 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3dp0 h LEU 86 CO -0.10 1.80 0.00 0.79 0.09 0.00 0.00 178.44 181.01 3dp0 n TRP 87 N -3.58 0.00 -4.53 1.13 8.01 -0.64 -5.13 117.44 112.70 3dp0 n TRP 87 Ca -0.25 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.94 3dp0 n TRP 87 Cb 1.07 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.37 3dp0 n TRP 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3dp0 n GLY 88 N 0.13 -0.13 3.50 6.99 0.00 0.38 -4.22 105.19 111.84 3dp0 n GLY 88 Ca 0.00 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 3dp0 n GLY 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3dp0 s PHE 89 N 0.00 2.71 -0.36 1.61 5.36 -1.26 -4.32 117.98 121.71 3dp0 s PHE 89 Ca 0.00 -0.81 0.00 0.00 -0.96 0.00 0.00 56.93 55.16 3dp0 s PHE 89 Cb 0.00 -4.46 0.12 0.00 -0.34 0.00 0.00 43.02 38.35 3dp0 s PHE 89 CO 0.00 -1.75 0.18 0.34 -1.46 0.00 0.00 175.22 172.53 3dp0 s ASP 90 N 4.04 3.54 0.40 6.13 -1.08 -1.26 -4.98 116.67 123.45 3dp0 s ASP 90 Ca 0.34 -2.10 0.07 0.00 -0.52 0.00 0.00 52.55 50.34 3dp0 s ASP 90 Cb -0.07 -0.73 0.83 0.00 -1.46 0.00 0.00 42.92 41.49 3dp0 s ASP 90 CO -0.01 -0.34 2.03 -0.65 0.52 0.00 0.00 175.17 176.72 3dp0 h PRO 91 N 7.35 0.59 0.06 4.34 0.11 -1.91 -1.11 132.00 141.43 3dp0 h PRO 91 Ca -0.04 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 3dp0 h PRO 91 Cb 0.97 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 3dp0 h PRO 91 CO 0.41 0.39 -0.05 0.93 -0.21 0.00 0.00 178.00 179.48 3dp0 h GLU 92 N 0.61 -0.10 -0.84 1.05 4.39 -1.94 -2.75 114.58 115.00 3dp0 h GLU 92 Ca 0.21 0.01 0.08 0.00 0.34 0.00 0.00 59.36 60.00 3dp0 h GLU 92 Cb 0.07 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.68 3dp0 h GLU 92 CO -0.05 -0.07 0.55 0.82 -1.16 0.00 0.00 179.01 179.10 3dp0 h ILE 93 N -0.10 0.99 -0.99 3.13 1.08 -1.98 -2.21 117.51 117.43 3dp0 h ILE 93 Ca -0.01 -0.29 0.22 0.00 -0.39 0.00 0.00 64.86 64.39 3dp0 h ILE 93 Cb 0.09 0.07 -0.09 0.00 -3.07 0.00 0.00 36.82 33.82 3dp0 h ILE 93 CO 0.00 0.15 0.63 0.00 -0.69 0.00 0.00 178.15 178.24 3dp0 h ALA 94 N 1.57 2.02 0.00 1.87 0.00 -1.04 0.14 119.26 123.81 3dp0 h ALA 94 Ca 0.38 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 3dp0 h ALA 94 Cb 0.35 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3dp0 h ALA 94 CO -0.15 -0.38 -0.06 0.87 0.00 0.00 0.00 179.25 179.53 3dp0 h LYS 95 N 0.53 0.00 -0.41 0.00 1.57 -1.10 -2.96 116.57 114.20 3dp0 h LYS 95 Ca 0.55 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 3dp0 h LYS 95 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3dp0 h LYS 95 CO -0.29 0.06 0.00 0.25 -0.57 0.00 0.00 179.45 178.89 3dp0 n THR 96 N -3.16 0.54 -4.20 -0.16 -2.24 0.46 -4.76 114.28 100.76 3dp0 n THR 96 Ca 0.01 -0.63 -0.17 0.00 -2.27 0.00 0.00 64.05 60.99 3dp0 n THR 96 Cb 0.38 0.53 -0.11 0.00 -2.10 0.00 0.00 70.33 69.02 3dp0 n THR 96 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3dp0 s LYS 97 N -1.46 0.89 -0.03 -0.78 -0.14 -1.12 -1.51 119.74 115.59 3dp0 s LYS 97 Ca 0.36 -1.11 0.00 0.00 -1.36 0.00 0.00 55.97 53.86 3dp0 s LYS 97 Cb 0.19 -0.77 0.03 0.00 -1.68 0.00 0.00 37.83 35.61 3dp0 s LYS 97 CO 0.27 0.15 0.00 -1.50 -0.76 0.00 0.00 175.35 173.51 3dp0 s ILE 98 N -1.90 0.15 -0.34 2.17 1.10 -0.12 -4.60 121.20 117.67 3dp0 s ILE 98 Ca 0.04 0.10 -0.07 0.00 -0.51 0.00 0.00 60.65 60.21 3dp0 s ILE 98 Cb -0.06 -0.25 0.03 0.00 0.15 0.00 0.00 42.46 42.33 3dp0 s ILE 98 CO 0.02 0.14 0.12 -0.69 -2.11 0.00 0.00 174.94 172.41 3dp0 s VAL 99 N 1.02 3.94 0.21 4.00 1.01 -1.26 -1.20 120.40 128.12 3dp0 s VAL 99 Ca -0.10 -1.00 0.11 0.00 0.00 0.00 0.00 61.98 60.99 3dp0 s VAL 99 Cb -0.13 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 3dp0 s VAL 99 CO -0.02 -0.13 -0.17 -0.72 0.00 0.00 0.00 175.10 174.05 3dp0 s TYR 100 N 1.45 2.42 -0.13 5.22 1.13 -1.06 -4.95 117.35 121.43 3dp0 s TYR 100 Ca -0.00 -0.30 -0.12 0.00 -1.41 0.00 0.00 57.07 55.24 3dp0 s TYR 100 Cb -0.19 -1.15 -0.05 0.00 -1.10 0.00 0.00 41.96 39.47 3dp0 s TYR 100 CO 0.03 0.56 0.25 -0.06 -2.51 0.00 0.00 175.55 173.82 3dp0 s PHE 101 N -1.90 3.54 -0.20 -3.49 0.40 -1.26 -1.44 117.98 113.62 3dp0 s PHE 101 Ca 0.25 0.61 -0.22 0.00 -0.60 0.00 0.00 56.93 56.96 3dp0 s PHE 101 Cb -0.07 -2.20 -0.20 0.00 0.51 0.00 0.00 43.02 41.06 3dp0 s PHE 101 CO 0.13 0.45 0.26 0.52 0.70 0.00 0.00 175.22 177.28 3dp0 h MET 102 N 5.87 0.00 -4.89 0.44 2.86 -1.26 -3.49 114.93 114.46 3dp0 h MET 102 Ca -0.47 -0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 56.84 3dp0 h MET 102 Cb 1.19 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.70 3dp0 h MET 102 CO 0.68 1.00 -0.64 0.95 1.06 0.00 0.00 176.91 179.96 3dp0 s THR 103 N -2.35 0.69 -0.10 2.22 -4.23 -1.17 -5.01 115.64 105.69 3dp0 s THR 103 Ca -0.28 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.12 3dp0 s THR 103 Cb 0.05 -2.39 0.03 0.00 1.34 0.00 0.00 72.50 71.53 3dp0 s THR 103 CO 0.60 -0.24 0.31 -0.63 -0.54 0.00 0.00 174.62 174.12 3dp0 s ILE 104 N -3.65 0.01 0.27 2.99 1.01 -1.26 -2.21 121.20 118.36 3dp0 s ILE 104 Ca 0.31 -0.09 -0.21 0.00 0.00 0.00 0.00 60.65 60.66 3dp0 s ILE 104 Cb 0.07 -0.47 0.02 0.00 0.01 0.00 0.00 42.46 42.09 3dp0 s ILE 104 CO 0.09 -0.05 0.70 -0.62 0.00 0.00 0.00 174.94 175.06 3dp0 s ASP 105 N -0.10 -0.26 -1.48 3.58 3.68 0.02 -4.96 116.67 117.15 3dp0 s ASP 105 Ca -0.02 -0.60 -0.06 0.00 2.13 0.00 0.00 52.55 53.99 3dp0 s ASP 105 Cb -0.03 0.72 0.05 0.00 -1.45 0.00 0.00 42.92 42.20 3dp0 s ASP 105 CO 0.01 -1.32 0.59 0.29 0.13 0.00 0.00 175.17 174.87 3dp0 n LYS 106 N -0.45 -3.67 -3.28 4.34 4.76 -1.26 -0.76 118.16 117.85 3dp0 n LYS 106 Ca -0.04 0.44 -0.39 0.00 -2.87 0.00 0.00 58.31 55.45 3dp0 n LYS 106 Cb 0.59 -4.82 -0.06 0.00 -1.84 0.00 0.00 35.03 28.90 3dp0 n LYS 106 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3dp0 s VAL 107 N -3.71 4.77 -0.14 -0.18 1.01 -1.26 -3.77 120.40 117.12 3dp0 s VAL 107 Ca 0.24 1.20 -0.06 0.00 0.00 0.00 0.00 61.98 63.37 3dp0 s VAL 107 Cb -0.13 -3.89 0.06 0.00 0.00 0.00 0.00 36.38 32.42 3dp0 s VAL 107 CO 0.88 0.54 0.30 -0.54 0.00 0.00 0.00 175.10 176.29 3dp0 s LYS 108 N -1.00 0.22 -0.25 2.72 1.02 -0.40 -4.97 119.74 117.08 3dp0 s LYS 108 Ca 0.29 0.75 -0.11 0.00 0.02 0.00 0.00 55.97 56.93 3dp0 s LYS 108 Cb -0.19 0.01 -0.05 0.00 -0.52 0.00 0.00 37.83 37.08 3dp0 s LYS 108 CO 0.19 -0.24 0.16 -0.06 -0.92 0.00 0.00 175.35 174.48 3dp0 s PHE 109 N 2.08 3.30 -0.14 3.18 0.40 -1.26 -1.51 117.98 124.02 3dp0 s PHE 109 Ca -0.03 0.20 0.05 0.00 -0.60 0.00 0.00 56.93 56.55 3dp0 s PHE 109 Cb -0.11 -2.29 -0.12 0.00 0.51 0.00 0.00 43.02 41.01 3dp0 s PHE 109 CO -0.10 0.02 -0.07 0.54 0.70 0.00 0.00 175.22 176.32 3dp0 n ARG 110 N 4.41 1.00 -4.11 0.44 1.74 0.23 -4.98 116.66 115.39 3dp0 n ARG 110 Ca -0.15 0.05 -0.15 0.00 -0.77 0.00 0.00 57.85 56.84 3dp0 n ARG 110 Cb 0.52 -1.32 -0.14 0.00 -1.02 0.00 0.00 32.46 30.51 3dp0 n ARG 110 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3dp0 s ILE 111 N -2.31 0.39 0.22 0.55 1.01 -0.95 -5.02 121.20 115.09 3dp0 s ILE 111 Ca -0.16 -0.38 -0.30 0.00 0.00 0.00 0.00 60.65 59.82 3dp0 s ILE 111 Cb 0.05 -0.36 -0.09 0.00 0.01 0.00 0.00 42.46 42.07 3dp0 s ILE 111 CO 0.42 -0.00 1.23 -2.84 0.00 0.00 0.00 174.94 173.74 3dp0 s PRO 112 N -0.41 4.47 -0.19 2.79 0.02 -1.26 -4.79 135.00 135.62 3dp0 s PRO 112 Ca -0.01 1.96 -0.11 0.00 0.02 0.00 0.00 61.00 62.86 3dp0 s PRO 112 Cb -0.03 -3.20 -0.05 0.00 0.02 0.00 0.00 34.50 31.23 3dp0 s PRO 112 CO -0.00 -0.11 0.16 0.08 -0.33 0.00 0.00 177.00 176.80 3dp0 s VAL 113 N -0.27 5.39 0.32 3.83 1.01 -1.26 -5.04 120.40 124.38 3dp0 s VAL 113 Ca 0.52 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.79 3dp0 s VAL 113 Cb -0.34 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 3dp0 s VAL 113 CO 0.39 0.44 0.07 0.42 0.00 0.00 0.00 175.10 176.42 3dp0 s THR 114 N 0.35 1.01 0.11 3.92 -4.23 -1.26 -1.25 115.64 114.28 3dp0 s THR 114 Ca 0.10 -2.00 -0.34 0.00 -1.18 0.00 0.00 61.69 58.27 3dp0 s THR 114 Cb -0.11 -2.72 -0.13 0.00 1.34 0.00 0.00 72.50 70.88 3dp0 s THR 114 CO -0.01 0.00 1.67 -2.65 -0.54 0.00 0.00 174.62 173.09 3dp0 n PRO 115 N -0.67 2.26 0.00 3.99 -0.02 -1.26 -2.08 135.00 137.22 3dp0 n PRO 115 Ca -0.02 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3dp0 n PRO 115 Cb 0.66 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3dp0 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dp0 n GLY 116 N 3.72 1.43 3.86 -1.23 0.00 0.12 -4.91 105.19 108.19 3dp0 n GLY 116 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3dp0 n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dp0 s ASP 117 N -1.95 6.71 -0.49 1.61 -0.00 -0.88 -4.91 116.67 116.75 3dp0 s ASP 117 Ca 0.00 1.07 -0.10 0.00 -0.00 0.00 0.00 52.55 53.52 3dp0 s ASP 117 Cb 0.00 -2.29 0.12 0.00 -0.00 0.00 0.00 42.92 40.76 3dp0 s ASP 117 CO 0.00 -0.10 0.38 -0.60 -0.00 0.00 0.00 175.17 174.85 3dp0 s ARG 118 N -2.78 2.58 -0.69 8.23 3.52 -1.26 -0.84 118.95 127.71 3dp0 s ARG 118 Ca 0.49 -1.78 -0.27 0.00 -0.13 0.00 0.00 55.73 54.03 3dp0 s ARG 118 Cb -0.11 -4.00 0.03 0.00 -1.56 0.00 0.00 34.95 29.31 3dp0 s ARG 118 CO 0.20 -1.22 1.27 -1.17 -0.81 0.00 0.00 175.30 173.57 3dp0 s LEU 119 N 1.36 3.25 -0.14 -0.88 2.96 -0.49 -4.47 118.68 120.27 3dp0 s LEU 119 Ca 0.06 -0.25 -0.20 0.00 -0.22 0.00 0.00 54.13 53.51 3dp0 s LEU 119 Cb -0.26 -2.74 -0.03 0.00 0.50 0.00 0.00 46.19 43.65 3dp0 s LEU 119 CO -0.00 -1.75 0.57 -0.70 -1.32 0.00 0.00 176.35 173.15 3dp0 s GLU 120 N 5.55 4.31 -0.18 1.98 2.12 0.77 -1.48 118.70 131.77 3dp0 s GLU 120 Ca 0.39 0.58 -0.09 0.00 0.36 0.00 0.00 54.97 56.20 3dp0 s GLU 120 Cb -0.08 -3.49 -0.05 0.00 0.26 0.00 0.00 34.13 30.77 3dp0 s GLU 120 CO 0.18 -0.01 0.14 0.71 -0.54 0.00 0.00 175.26 175.74 3dp0 s TYR 121 N 1.15 3.46 -0.33 5.30 4.12 0.46 0.42 117.35 131.93 3dp0 s TYR 121 Ca 0.29 0.39 0.01 0.00 0.02 0.00 0.00 57.07 57.78 3dp0 s TYR 121 Cb -0.16 -2.11 0.10 0.00 -1.52 0.00 0.00 41.96 38.27 3dp0 s TYR 121 CO 0.12 0.40 0.10 -1.01 0.02 0.00 0.00 175.55 175.18 3dp0 s HIS 122 N 0.01 2.43 0.14 2.71 3.76 -0.15 -1.52 115.29 122.67 3dp0 s HIS 122 Ca 0.10 -2.23 0.10 0.00 -0.15 0.00 0.00 55.06 52.87 3dp0 s HIS 122 Cb -0.11 -2.15 -0.04 0.00 1.11 0.00 0.00 32.58 31.39 3dp0 s HIS 122 CO -0.00 -0.89 -0.19 -0.51 -0.85 0.00 0.00 174.74 172.30 3dp0 s LEU 123 N 1.25 2.66 0.11 0.89 2.01 -0.88 -1.26 118.68 123.47 3dp0 s LEU 123 Ca 0.11 -0.63 0.02 0.00 0.01 0.00 0.00 54.13 53.64 3dp0 s LEU 123 Cb -0.19 -1.48 -0.04 0.00 0.01 0.00 0.00 46.19 44.50 3dp0 s LEU 123 CO -0.17 0.16 -0.05 -1.83 1.01 0.00 0.00 176.35 175.47 3dp0 s GLU 124 N -2.32 0.88 -0.51 1.70 -1.05 0.01 -1.30 118.70 116.12 3dp0 s GLU 124 Ca 0.19 -1.37 -0.23 0.00 -0.15 0.00 0.00 54.97 53.40 3dp0 s GLU 124 Cb -0.10 -0.18 0.04 0.00 -0.44 0.00 0.00 34.13 33.45 3dp0 s GLU 124 CO 0.10 -0.05 0.85 0.08 0.95 0.00 0.00 175.26 177.20 3dp0 s VAL 125 N -3.66 4.53 0.12 1.83 1.01 0.48 -1.80 120.40 122.91 3dp0 s VAL 125 Ca 0.14 0.26 -0.13 0.00 0.00 0.00 0.00 61.98 62.26 3dp0 s VAL 125 Cb 0.06 -4.44 -0.06 0.00 0.00 0.00 0.00 36.38 31.94 3dp0 s VAL 125 CO -0.03 -0.94 1.46 -0.07 0.00 0.00 0.00 175.10 175.52 3dp0 h LEU 126 N 10.54 0.87 -7.01 3.92 3.38 -0.50 -3.48 115.31 123.03 3dp0 h LEU 126 Ca -0.26 -0.45 0.30 0.00 0.09 0.00 0.00 57.88 57.56 3dp0 h LEU 126 Cb 1.08 -0.24 -0.19 0.00 0.09 0.00 0.00 40.66 41.39 3dp0 h LEU 126 CO 1.03 1.14 0.89 -1.59 0.09 0.00 0.00 178.44 180.00 3dp0 s LYS 127 N -4.44 0.18 -0.10 1.13 -2.85 -0.99 -5.02 119.74 107.65 3dp0 s LYS 127 Ca -0.12 -0.07 -0.21 0.00 -1.00 0.00 0.00 55.97 54.57 3dp0 s LYS 127 Cb 0.10 0.08 0.05 0.00 -2.06 0.00 0.00 37.83 36.00 3dp0 s LYS 127 CO 0.85 -0.08 0.50 -3.38 0.10 0.00 0.00 175.35 173.34 3dp0 s HIS 128 N -2.24 -0.48 -0.23 1.78 -3.43 -1.26 0.11 115.29 109.54 3dp0 s HIS 128 Ca 0.11 0.98 -0.03 0.00 -0.80 0.00 0.00 55.06 55.32 3dp0 s HIS 128 Cb -0.00 0.23 0.11 0.00 -1.43 0.00 0.00 32.58 31.48 3dp0 s HIS 128 CO -0.04 -0.41 0.26 0.21 -2.00 0.00 0.00 174.74 172.76 3dp0 s LYS 129 N -0.63 0.24 7.48 -0.38 2.36 -0.46 -5.02 119.74 123.33 3dp0 s LYS 129 Ca -0.07 0.18 0.00 0.00 -2.55 0.00 0.00 55.97 53.53 3dp0 s LYS 129 Cb -0.03 -1.00 0.00 0.00 -1.05 0.00 0.00 37.83 35.75 3dp0 s LYS 129 CO 0.04 -0.73 0.00 0.41 1.55 0.00 0.00 175.35 176.63 3dp0 n GLY 130 N 5.32 2.72 1.13 5.54 0.00 -1.26 -2.30 105.19 116.34 3dp0 n GLY 130 Ca -0.05 -0.25 0.10 0.00 0.00 0.00 0.00 46.02 45.82 3dp0 n GLY 130 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3dp0 n MET 131 N 13.18 2.43 -3.71 1.61 2.81 -1.26 -4.82 117.12 127.35 3dp0 n MET 131 Ca 0.00 -2.20 -0.38 0.00 -1.81 0.00 0.00 57.70 53.31 3dp0 n MET 131 Cb 0.00 -1.49 -0.12 0.00 -0.71 0.00 0.00 33.22 30.90 3dp0 n MET 131 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3dp0 s ILE 132 N -1.25 4.34 -0.06 2.02 1.01 -0.97 -0.99 121.20 125.30 3dp0 s ILE 132 Ca 0.41 -0.43 0.05 0.00 0.00 0.00 0.00 60.65 60.68 3dp0 s ILE 132 Cb 0.22 -3.17 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 3dp0 s ILE 132 CO 0.29 0.14 -0.21 0.26 0.00 0.00 0.00 174.94 175.42 3dp0 s TRP 133 N 1.58 2.55 -0.22 3.97 0.52 -0.20 -1.36 118.94 125.78 3dp0 s TRP 133 Ca 0.04 -0.53 -0.01 0.00 0.02 0.00 0.00 56.10 55.62 3dp0 s TRP 133 Cb -0.17 -1.63 0.02 0.00 -1.15 0.00 0.00 33.47 30.54 3dp0 s TRP 133 CO 0.04 -0.09 -0.10 -0.65 0.02 0.00 0.00 176.95 176.18 3dp0 s GLN 134 N -0.29 3.01 0.29 4.98 -0.21 0.12 -0.45 119.66 127.11 3dp0 s GLN 134 Ca 0.01 -0.85 0.11 0.00 0.02 0.00 0.00 55.36 54.65 3dp0 s GLN 134 Cb -0.13 -2.87 -0.05 0.00 1.00 0.00 0.00 33.01 30.96 3dp0 s GLN 134 CO 0.03 -0.29 -0.17 0.14 -2.12 0.00 0.00 175.29 172.88 3dp0 s VAL 135 N 1.35 2.49 0.20 1.09 -7.23 0.16 0.28 120.40 118.74 3dp0 s VAL 135 Ca 0.03 -2.34 -0.22 0.00 -1.81 0.00 0.00 61.98 57.64 3dp0 s VAL 135 Cb -0.15 -2.40 0.05 0.00 0.56 0.00 0.00 36.38 34.44 3dp0 s VAL 135 CO -0.07 -0.36 0.66 -0.83 -0.31 0.00 0.00 175.10 174.19 3dp0 s GLY 136 N -3.54 -0.41 0.00 2.32 0.00 -0.75 -0.18 107.32 104.76 3dp0 s GLY 136 Ca 0.31 0.20 0.00 0.00 0.00 0.00 0.00 44.72 45.23 3dp0 s GLY 136 CO 0.16 0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.93 3dp0 n GLY 137 N -0.41 -0.53 3.23 0.20 0.00 -0.82 -0.81 105.19 106.06 3dp0 n GLY 137 Ca -0.12 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 3dp0 n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dp0 s THR 138 N -4.00 0.07 -0.17 2.61 -4.23 -0.39 -2.49 115.64 107.05 3dp0 s THR 138 Ca 0.00 -1.75 -0.04 0.00 -1.18 0.00 0.00 61.69 58.72 3dp0 s THR 138 Cb 0.00 -2.07 -0.02 0.00 1.34 0.00 0.00 72.50 71.75 3dp0 s THR 138 CO 0.00 -0.32 -0.04 0.00 -0.54 0.00 0.00 174.62 173.73 3dp0 s ALA 139 N -4.04 2.94 0.01 3.99 0.00 -0.28 -0.98 121.76 123.40 3dp0 s ALA 139 Ca 0.25 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.35 3dp0 s ALA 139 Cb 0.06 -1.59 -0.02 0.00 0.00 0.00 0.00 23.12 21.57 3dp0 s ALA 139 CO 0.03 0.05 -0.18 -0.65 0.00 0.00 0.00 175.76 175.01 3dp0 s GLN 140 N 0.66 1.37 -0.21 0.00 -0.21 0.17 -0.19 119.66 121.25 3dp0 s GLN 140 Ca -0.02 -0.72 -0.00 0.00 0.02 0.00 0.00 55.36 54.63 3dp0 s GLN 140 Cb -0.14 -1.37 0.06 0.00 1.00 0.00 0.00 33.01 32.55 3dp0 s GLN 140 CO 0.02 0.37 -0.03 0.08 -2.12 0.00 0.00 175.29 173.61 3dp0 s VAL 141 N -0.56 1.18 -1.27 1.09 1.01 -0.55 -0.16 120.40 121.14 3dp0 s VAL 141 Ca 0.06 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.05 3dp0 s VAL 141 Cb -0.07 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 3dp0 s VAL 141 CO 0.00 -0.09 0.67 -0.67 0.00 0.00 0.00 175.10 175.02 3dp0 n ASP 142 N 4.81 -2.34 0.00 3.32 2.03 -1.26 -2.45 116.55 120.66 3dp0 n ASP 142 Ca -0.11 -0.91 0.00 0.00 0.52 0.00 0.00 54.79 54.29 3dp0 n ASP 142 Cb 0.46 -3.72 0.00 0.00 -0.72 0.00 0.00 41.12 37.13 3dp0 n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dp0 n GLY 143 N -1.68 2.35 3.86 0.27 0.00 -1.26 -5.01 105.19 103.72 3dp0 n GLY 143 Ca -0.24 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 3dp0 n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dp0 s LYS 144 N 0.00 3.87 -0.38 1.61 3.01 -1.03 -5.03 119.74 121.80 3dp0 s LYS 144 Ca 0.00 0.71 -0.22 0.00 -1.01 0.00 0.00 55.97 55.45 3dp0 s LYS 144 Cb 0.00 -2.27 0.01 0.00 -1.01 0.00 0.00 37.83 34.56 3dp0 s LYS 144 CO 0.00 -0.14 0.74 0.08 0.51 0.00 0.00 175.35 176.54 3dp0 s VAL 145 N -2.47 4.76 -0.21 3.17 1.01 -1.26 -1.49 120.40 123.91 3dp0 s VAL 145 Ca 0.55 0.66 0.22 0.00 0.00 0.00 0.00 61.98 63.42 3dp0 s VAL 145 Cb -0.10 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 31.99 3dp0 s VAL 145 CO 0.30 -0.47 0.91 1.33 0.00 0.00 0.00 175.10 177.17 3dp0 n VAL 146 N 5.82 0.44 -3.74 2.92 0.24 0.74 -4.48 118.33 120.27 3dp0 n VAL 146 Ca 0.01 -0.52 -0.06 0.00 -2.04 0.00 0.00 64.34 61.74 3dp0 n VAL 146 Cb 0.48 -0.22 -0.02 0.00 -1.47 0.00 0.00 33.84 32.61 3dp0 n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dp0 s ALA 147 N -3.39 -1.50 0.03 2.33 0.00 -1.05 -0.60 121.76 117.58 3dp0 s ALA 147 Ca -0.02 0.08 -0.18 0.00 0.00 0.00 0.00 51.96 51.83 3dp0 s ALA 147 Cb 0.11 0.73 0.04 0.00 0.00 0.00 0.00 23.12 23.99 3dp0 s ALA 147 CO 0.82 -0.98 0.41 -1.83 0.00 0.00 0.00 175.76 174.18 3dp0 s GLU 148 N -3.56 0.89 -0.02 0.00 -1.05 -0.57 -1.12 118.70 113.28 3dp0 s GLU 148 Ca 0.10 -0.30 -0.30 0.00 -0.15 0.00 0.00 54.97 54.32 3dp0 s GLU 148 Cb -0.03 0.40 0.11 0.00 -0.44 0.00 0.00 34.13 34.16 3dp0 s GLU 148 CO 0.01 -0.30 1.02 0.00 0.95 0.00 0.00 175.26 176.95 3dp0 s ALA 149 N -2.24 -1.89 -0.01 -0.84 0.00 -1.04 -1.28 121.76 114.45 3dp0 s ALA 149 Ca -0.07 0.94 0.05 0.00 0.00 0.00 0.00 51.96 52.89 3dp0 s ALA 149 Cb -0.01 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 3dp0 s ALA 149 CO -0.01 -0.78 -0.18 -1.21 0.00 0.00 0.00 175.76 173.59 3dp0 s GLU 150 N -2.91 1.44 0.02 0.00 2.02 0.06 -1.94 118.70 117.39 3dp0 s GLU 150 Ca 0.08 -0.64 0.01 0.00 0.02 0.00 0.00 54.97 54.45 3dp0 s GLU 150 Cb -0.00 -1.39 -0.02 0.00 0.10 0.00 0.00 34.13 32.81 3dp0 s GLU 150 CO -0.05 0.38 -0.04 -0.51 0.02 0.00 0.00 175.26 175.06 3dp0 s LEU 151 N -0.42 2.21 -0.18 1.80 1.02 0.75 -0.80 118.68 123.06 3dp0 s LEU 151 Ca 0.07 -0.45 0.01 0.00 0.02 0.00 0.00 54.13 53.78 3dp0 s LEU 151 Cb -0.07 -0.00 0.03 0.00 0.02 0.00 0.00 46.19 46.17 3dp0 s LEU 151 CO -0.01 -0.23 -0.15 -0.75 0.02 0.00 0.00 176.35 175.23 3dp0 s LYS 152 N -1.30 2.47 0.27 1.70 2.20 -0.94 -0.66 119.74 123.47 3dp0 s LYS 152 Ca -0.12 -0.77 0.10 0.00 -0.36 0.00 0.00 55.97 54.82 3dp0 s LYS 152 Cb -0.09 -2.39 -0.04 0.00 -1.51 0.00 0.00 37.83 33.80 3dp0 s LYS 152 CO -0.00 -0.30 -0.05 0.00 -0.36 0.00 0.00 175.35 174.64 3dp0 s ALA 153 N 1.37 3.08 -0.04 3.13 0.00 0.40 -0.71 121.76 128.99 3dp0 s ALA 153 Ca 0.03 -1.71 0.02 0.00 0.00 0.00 0.00 51.96 50.30 3dp0 s ALA 153 Cb -0.14 -0.66 0.01 0.00 0.00 0.00 0.00 23.12 22.33 3dp0 s ALA 153 CO -0.10 0.27 -0.09 1.41 0.00 0.00 0.00 175.76 177.24 3dp0 s MET 154 N -3.64 1.07 -0.17 0.00 1.75 -0.52 -1.04 119.30 116.75 3dp0 s MET 154 Ca 0.31 -0.29 -0.14 0.00 -1.25 0.00 0.00 55.69 54.32 3dp0 s MET 154 Cb -0.06 -0.98 -0.05 0.00 2.84 0.00 0.00 34.83 36.58 3dp0 s MET 154 CO 0.19 0.07 0.28 0.42 -0.65 0.00 0.00 175.02 175.33 3dp0 s ILE 155 N 0.39 5.31 0.35 10.11 1.01 -0.16 -2.55 121.20 135.65 3dp0 s ILE 155 Ca -0.06 0.51 0.05 0.00 0.00 0.00 0.00 60.65 61.15 3dp0 s ILE 155 Cb -0.11 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 3dp0 s ILE 155 CO 0.01 0.37 0.21 0.00 0.00 0.00 0.00 174.94 175.53 3dp0 s ALA 156 N 0.59 2.21 -0.10 9.38 0.00 -0.34 -4.84 121.76 128.66 3dp0 s ALA 156 Ca 0.15 -1.72 -0.24 0.00 0.00 0.00 0.00 51.96 50.15 3dp0 s ALA 156 Cb -0.13 1.19 -0.03 0.00 0.00 0.00 0.00 23.12 24.15 3dp0 s ALA 156 CO 0.04 -0.53 0.76 -1.21 0.00 0.00 0.00 175.76 174.81 3dp0 s GLU 157 N -3.62 4.39 0.16 0.00 0.41 -1.26 -0.94 118.70 117.83 3dp0 s GLU 157 Ca 0.34 0.94 -0.34 0.00 -0.41 0.00 0.00 54.97 55.50 3dp0 s GLU 157 Cb 0.03 -3.50 -0.14 0.00 -1.78 0.00 0.00 34.13 28.74 3dp0 s GLU 157 CO 0.21 -0.09 1.49 -2.13 -0.49 0.00 0.00 175.26 174.25 3dp0 n ARG 158 N 4.34 1.90 0.00 1.61 3.00 -0.57 -4.76 116.66 122.17 3dp0 n ARG 158 Ca 0.01 0.68 0.00 0.00 -0.00 0.00 0.00 57.85 58.54 3dp0 n ARG 158 Cb 0.50 -2.40 0.00 0.00 0.00 0.00 0.00 32.46 30.56 3dp0 n ARG 158 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78