#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aca n GLY 9 N 0.00 -0.17 0.35 2.61 0.00 -1.26 -4.78 105.19 101.95 2aca n GLY 9 Ca 0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 2aca n GLY 9 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2aca h GLN 10 N 0.00 -0.82 -5.04 1.61 4.15 -1.91 -3.43 115.11 109.66 2aca h GLN 10 Ca 0.00 0.06 -0.65 0.00 0.77 0.00 0.00 58.65 58.82 2aca h GLN 10 Cb 0.00 0.19 -0.25 0.00 0.21 0.00 0.00 27.48 27.63 2aca h GLN 10 CO 0.00 -0.51 -0.68 -0.06 -1.93 0.00 0.00 178.83 175.65 2aca s PHE 11 N -5.35 3.01 -0.18 3.99 0.08 0.03 -4.65 117.98 114.91 2aca s PHE 11 Ca -0.16 -0.65 -0.09 0.00 0.12 0.00 0.00 56.93 56.14 2aca s PHE 11 Cb 0.02 -2.12 -0.05 0.00 -0.57 0.00 0.00 43.02 40.31 2aca s PHE 11 CO 0.54 -0.39 0.13 -2.00 -0.10 0.00 0.00 175.22 173.40 2aca s GLU 12 N 1.32 4.04 -0.19 0.44 2.12 0.18 -1.64 118.70 124.97 2aca s GLU 12 Ca 0.04 -0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.17 2aca s GLU 12 Cb -0.15 -3.37 0.02 0.00 0.26 0.00 0.00 34.13 30.90 2aca s GLU 12 CO 0.00 0.39 -0.19 0.08 -0.54 0.00 0.00 175.26 175.01 2aca s VAL 13 N 0.10 2.13 -0.07 3.70 1.01 -0.34 -4.57 120.40 122.36 2aca s VAL 13 Ca 0.09 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 2aca s VAL 13 Cb -0.11 -1.92 0.04 0.00 0.00 0.00 0.00 36.38 34.39 2aca s VAL 13 CO -0.01 0.49 0.15 -0.70 0.00 0.00 0.00 175.10 175.03 2aca s GLU 14 N 1.28 0.07 -0.13 2.72 2.12 -1.26 -1.18 118.70 122.33 2aca s GLU 14 Ca 0.04 0.42 -0.00 0.00 0.36 0.00 0.00 54.97 55.79 2aca s GLU 14 Cb -0.14 -0.21 -0.01 0.00 0.26 0.00 0.00 34.13 34.03 2aca s GLU 14 CO -0.12 -0.21 -0.13 -0.51 -0.54 0.00 0.00 175.26 173.75 2aca s LEU 15 N 1.48 2.70 -0.05 2.70 1.43 -0.01 -4.94 118.68 121.98 2aca s LEU 15 Ca -0.06 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 52.69 2aca s LEU 15 Cb -0.12 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 2aca s LEU 15 CO -0.06 0.16 0.04 -0.75 0.23 0.00 0.00 176.35 175.98 2aca s LYS 16 N 0.36 3.04 0.03 1.70 2.20 -1.26 -1.02 119.74 124.78 2aca s LYS 16 Ca -0.11 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.08 2aca s LYS 16 Cb -0.16 -2.84 -0.02 0.00 -1.51 0.00 0.00 37.83 33.29 2aca s LYS 16 CO 0.06 0.69 -0.04 0.71 -0.36 0.00 0.00 175.35 176.40 2aca s TYR 17 N -1.02 0.35 0.13 4.03 1.51 0.45 -0.47 117.35 122.33 2aca s TYR 17 Ca 0.17 -0.57 -0.26 0.00 -1.01 0.00 0.00 57.07 55.40 2aca s TYR 17 Cb -0.12 -0.24 -0.07 0.00 -0.11 0.00 0.00 41.96 41.42 2aca s TYR 17 CO 0.07 -0.19 0.81 1.03 -1.11 0.00 0.00 175.55 176.17 2aca s ARG 18 N -1.69 4.60 -0.33 -0.62 0.52 0.34 -0.47 118.95 121.30 2aca s ARG 18 Ca -0.13 1.20 -0.02 0.00 -0.52 0.00 0.00 55.73 56.26 2aca s ARG 18 Cb -0.09 -3.31 0.06 0.00 0.52 0.00 0.00 34.95 32.14 2aca s ARG 18 CO -0.01 0.44 0.05 0.08 0.02 0.00 0.00 175.30 175.88 2aca s VAL 19 N -0.70 3.12 0.20 3.52 1.01 -0.08 -4.85 120.40 122.62 2aca s VAL 19 Ca 0.38 -1.52 -0.04 0.00 0.00 0.00 0.00 61.98 60.81 2aca s VAL 19 Cb -0.23 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 2aca s VAL 19 CO 0.26 -0.25 1.57 0.11 0.00 0.00 0.00 175.10 176.79 2aca h LYS 20 N 8.02 0.69 -4.08 2.72 1.57 -1.96 -3.35 116.57 120.18 2aca h LYS 20 Ca -0.19 -0.34 -0.63 0.00 -1.87 0.00 0.00 60.65 57.61 2aca h LYS 20 Cb 1.06 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.97 2aca h LYS 20 CO 0.57 0.95 -0.72 1.21 -0.57 0.00 0.00 179.45 180.89 2aca s ASN 21 N -6.84 4.42 0.13 0.86 3.84 -1.26 -4.99 114.94 111.10 2aca s ASN 21 Ca -0.09 -2.17 -0.21 0.00 0.21 0.00 0.00 52.86 50.61 2aca s ASN 21 Cb 0.12 -1.38 -0.02 0.00 -0.55 0.00 0.00 41.25 39.42 2aca s ASN 21 CO 0.84 -0.36 1.69 -0.74 -2.79 0.00 0.00 177.10 175.74 2aca h HIS 22 N 7.52 -0.23 -0.68 0.43 -0.00 -2.00 -1.56 115.15 118.63 2aca h HIS 22 Ca -0.07 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.30 2aca h HIS 22 Cb 0.99 0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 28.50 2aca h HIS 22 CO 0.44 -0.15 0.31 -0.44 -0.00 0.00 0.00 177.93 178.10 2aca h ASP 23 N -0.09 0.88 -0.39 3.26 3.45 -1.99 -2.43 116.42 119.12 2aca h ASP 23 Ca 0.10 -0.10 -0.11 0.00 0.43 0.00 0.00 57.03 57.34 2aca h ASP 23 Cb 0.23 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.76 2aca h ASP 23 CO -0.23 0.76 -0.18 0.00 -1.57 0.00 0.00 179.24 178.02 2aca h ALA 24 N 1.38 0.84 -0.28 3.45 0.00 -1.93 -1.24 119.26 121.48 2aca h ALA 24 Ca 0.23 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2aca h ALA 24 Cb 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2aca h ALA 24 CO -0.03 0.64 0.18 0.35 0.00 0.00 0.00 179.25 180.40 2aca h PHE 25 N 0.76 0.36 -0.43 0.00 3.04 -0.83 -3.06 116.94 116.77 2aca h PHE 25 Ca 0.11 0.01 -0.12 0.00 3.98 0.00 0.00 57.97 61.94 2aca h PHE 25 Cb 0.71 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.08 2aca h PHE 25 CO 0.04 0.24 -0.21 -0.07 -2.02 0.00 0.00 178.31 176.29 2aca h LEU 26 N 0.38 0.94 -1.88 0.59 3.38 -1.32 -1.98 115.31 115.42 2aca h LEU 26 Ca 0.10 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2aca h LEU 26 Cb -0.03 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.46 2aca h LEU 26 CO -0.02 1.14 0.00 0.59 0.09 0.00 0.00 178.44 180.24 2aca n ASN 27 N -4.17 0.09 0.00 -0.43 3.02 -0.48 -1.58 115.26 111.71 2aca n ASN 27 Ca -0.01 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 2aca n ASN 27 Cb 0.45 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 2aca n ASN 27 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2aca n VAL 29 N 0.92 0.00 0.30 2.41 3.14 -0.75 -3.60 118.33 120.76 2aca n VAL 29 Ca 0.00 0.00 0.17 0.00 -2.96 0.00 0.00 64.34 61.55 2aca n VAL 29 Cb 0.02 0.00 0.97 0.00 -1.06 0.00 0.00 33.84 33.76 2aca n VAL 29 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 2aca h LYS 30 N 0.00 0.00 -0.01 1.45 1.57 -1.58 -0.78 116.57 117.22 2aca h LYS 30 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2aca h LYS 30 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2aca h LYS 30 CO 0.00 0.03 -0.28 1.04 -0.57 0.00 0.00 179.45 179.67 2aca n GLN 31 N -3.47 1.03 -4.59 3.15 6.02 -1.24 -4.84 117.38 113.45 2aca n GLN 31 Ca -0.02 -0.69 -0.33 0.00 -0.01 0.00 0.00 57.00 55.94 2aca n GLN 31 Cb 0.13 -1.49 -0.13 0.00 1.02 0.00 0.00 30.24 29.78 2aca n GLN 31 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2aca s ILE 32 N -2.44 3.53 0.17 5.09 -1.09 -0.30 -5.07 121.20 121.08 2aca s ILE 32 Ca 0.24 -0.50 -0.32 0.00 -2.23 0.00 0.00 60.65 57.84 2aca s ILE 32 Cb 0.19 -2.51 -0.12 0.00 -1.58 0.00 0.00 42.46 38.45 2aca s ILE 32 CO 0.51 0.52 1.76 1.21 -1.23 0.00 0.00 174.94 177.71 2aca n GLU 33 N 3.34 2.73 -3.83 2.79 2.13 -1.26 -4.93 120.64 121.61 2aca n GLU 33 Ca -0.18 0.99 -0.07 0.00 0.66 0.00 0.00 57.16 58.56 2aca n GLU 33 Cb 0.53 -2.85 0.00 0.00 0.27 0.00 0.00 31.44 29.39 2aca n GLU 33 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 2aca s HIS 34 N 1.83 -0.03 0.15 4.31 -3.43 -1.26 -4.74 115.29 112.13 2aca s HIS 34 Ca 0.78 -0.53 0.08 0.00 -0.80 0.00 0.00 55.06 54.60 2aca s HIS 34 Cb -0.51 0.77 -0.04 0.00 -1.43 0.00 0.00 32.58 31.37 2aca s HIS 34 CO 0.35 -1.36 -0.17 -1.21 -2.00 0.00 0.00 174.74 170.35 2aca s GLU 35 N -3.03 1.21 0.46 -0.38 2.02 0.91 -4.94 118.70 114.96 2aca s GLU 35 Ca 0.14 -1.37 0.07 0.00 0.02 0.00 0.00 54.97 53.83 2aca s GLU 35 Cb -0.05 -1.20 0.00 0.00 0.10 0.00 0.00 34.13 32.98 2aca s GLU 35 CO 0.09 0.24 0.41 0.08 0.02 0.00 0.00 175.26 176.09 2aca s VAL 36 N -2.12 2.32 0.24 2.63 1.01 -1.26 0.40 120.40 123.61 2aca s VAL 36 Ca 0.14 -1.38 -0.12 0.00 0.00 0.00 0.00 61.98 60.63 2aca s VAL 36 Cb -0.05 -2.69 -0.08 0.00 0.00 0.00 0.00 36.38 33.56 2aca s VAL 36 CO 0.06 0.00 0.60 0.72 0.00 0.00 0.00 175.10 176.47 2aca s PHE 38 N -2.58 3.44 0.08 5.22 -0.12 -1.16 -4.94 117.98 117.92 2aca s PHE 38 Ca 0.45 0.99 0.09 0.00 -0.05 0.00 0.00 56.93 58.42 2aca s PHE 38 Cb -0.03 -2.35 -0.03 0.00 -0.63 0.00 0.00 43.02 39.98 2aca s PHE 38 CO 0.27 0.25 -0.25 -1.21 -0.05 0.00 0.00 175.22 174.23 2aca s GLU 39 N -2.71 1.55 -1.40 1.99 2.02 -1.26 -1.02 118.70 117.88 2aca s GLU 39 Ca 0.47 -1.16 -0.16 0.00 0.02 0.00 0.00 54.97 54.15 2aca s GLU 39 Cb -0.12 -1.82 0.02 0.00 0.10 0.00 0.00 34.13 32.31 2aca s GLU 39 CO 0.20 0.46 0.32 0.09 0.02 0.00 0.00 175.26 176.35 2aca n ASN 40 N 1.46 -1.37 -4.96 -0.19 3.02 -1.09 -4.91 115.26 107.21 2aca n ASN 40 Ca -0.17 -1.28 -0.22 0.00 -0.03 0.00 0.00 54.58 52.88 2aca n ASN 40 Cb 0.53 -1.67 -0.02 0.00 -0.61 0.00 0.00 39.78 38.01 2aca n ASN 40 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2aca s ASN 41 N -4.00 6.32 -0.14 6.41 0.02 -0.37 -4.84 114.94 118.34 2aca s ASN 41 Ca 0.22 0.14 -0.16 0.00 -1.02 0.00 0.00 52.86 52.05 2aca s ASN 41 Cb -0.12 -1.89 -0.04 0.00 0.02 0.00 0.00 41.25 39.21 2aca s ASN 41 CO 0.99 -0.11 0.38 -1.58 0.02 0.00 0.00 177.10 176.79 2aca s GLN 42 N -4.04 4.29 -0.16 -0.60 0.74 0.48 -0.85 119.66 119.52 2aca s GLN 42 Ca 0.35 0.26 -0.01 0.00 0.05 0.00 0.00 55.36 56.01 2aca s GLN 42 Cb -0.09 -3.43 -0.01 0.00 1.10 0.00 0.00 33.01 30.58 2aca s GLN 42 CO 0.30 0.19 -0.12 -2.00 -0.55 0.00 0.00 175.29 173.11 2aca s GLU 43 N 0.57 3.31 -0.10 1.67 2.12 0.09 -1.28 118.70 125.08 2aca s GLU 43 Ca 0.21 -0.70 0.00 0.00 0.36 0.00 0.00 54.97 54.84 2aca s GLU 43 Cb -0.14 -2.71 -0.03 0.00 0.26 0.00 0.00 34.13 31.52 2aca s GLU 43 CO 0.07 0.04 -0.09 -1.12 -0.54 0.00 0.00 175.26 173.62 2aca s SER 44 N 0.78 4.46 -0.03 -1.70 0.01 -0.12 -1.46 113.70 115.64 2aca s SER 44 Ca -0.05 -0.13 0.05 0.00 1.31 0.00 0.00 55.95 57.13 2aca s SER 44 Cb -0.15 -1.33 -0.01 0.00 0.21 0.00 0.00 66.02 64.74 2aca s SER 44 CO 0.01 0.28 -0.17 -1.81 0.41 0.00 0.00 173.24 171.96 2aca s ASP 45 N -0.33 2.10 -0.24 2.44 1.11 0.81 -1.94 116.67 120.61 2aca s ASP 45 Ca 0.04 -0.33 0.02 0.00 0.18 0.00 0.00 52.55 52.46 2aca s ASP 45 Cb -0.13 -0.44 0.05 0.00 1.07 0.00 0.00 42.92 43.47 2aca s ASP 45 CO 0.02 0.18 -0.12 0.26 1.18 0.00 0.00 175.17 176.69 2aca s TRP 46 N -0.14 3.14 -0.06 4.23 0.51 -0.62 -0.90 118.94 125.10 2aca s TRP 46 Ca 0.00 -2.08 -0.19 0.00 -2.12 0.00 0.00 56.10 51.71 2aca s TRP 46 Cb -0.10 -1.95 -0.05 0.00 -0.81 0.00 0.00 33.47 30.57 2aca s TRP 46 CO 0.01 -0.85 0.53 -0.06 -0.51 0.00 0.00 176.95 176.08 2aca s PHE 47 N 1.17 3.60 0.19 -1.98 0.40 0.12 -2.06 117.98 119.42 2aca s PHE 47 Ca -0.05 1.04 0.10 0.00 -0.60 0.00 0.00 56.93 57.43 2aca s PHE 47 Cb -0.18 -2.57 -0.04 0.00 0.51 0.00 0.00 43.02 40.73 2aca s PHE 47 CO -0.07 0.27 -0.16 0.71 0.70 0.00 0.00 175.22 176.67 2aca s TYR 48 N 0.21 2.48 0.03 0.36 1.51 0.26 -0.66 117.35 121.55 2aca s TYR 48 Ca 0.29 -0.28 -0.28 0.00 -1.01 0.00 0.00 57.07 55.78 2aca s TYR 48 Cb -0.17 -1.22 0.10 0.00 -0.11 0.00 0.00 41.96 40.56 2aca s TYR 48 CO 0.14 0.51 1.06 0.34 -1.11 0.00 0.00 175.55 176.49 2aca s ASP 49 N -2.76 -0.18 0.74 2.29 -1.08 -0.89 -4.08 116.67 110.72 2aca s ASP 49 Ca 0.23 -0.20 -0.11 0.00 -0.52 0.00 0.00 52.55 51.95 2aca s ASP 49 Cb -0.08 0.34 0.03 0.00 -1.46 0.00 0.00 42.92 41.75 2aca s ASP 49 CO 0.13 -0.60 1.07 0.42 0.52 0.00 0.00 175.17 176.71 2aca s THR 50 N -2.91 3.64 0.47 1.71 -4.23 -1.26 -1.43 115.64 111.63 2aca s THR 50 Ca 0.11 0.53 0.15 0.00 -1.18 0.00 0.00 61.69 61.31 2aca s THR 50 Cb 0.00 -3.26 0.31 0.00 1.34 0.00 0.00 72.50 70.89 2aca s THR 50 CO -0.03 -0.70 2.04 1.55 -0.54 0.00 0.00 174.62 176.95 2aca h PRO 51 N -0.88 0.24 -0.30 3.99 0.13 -1.94 -0.15 132.00 133.08 2aca h PRO 51 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2aca h PRO 51 Cb 1.23 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2aca h PRO 51 CO 0.57 0.16 0.00 0.00 -0.23 0.00 0.00 178.00 178.50 2aca n GLN 52 N -4.47 1.52 -3.55 0.86 0.00 -1.26 -4.92 117.38 105.56 2aca n GLN 52 Ca 0.05 -0.69 -0.22 0.00 0.00 0.00 0.00 57.00 56.14 2aca n GLN 52 Cb 0.28 -1.23 0.08 0.00 0.00 0.00 0.00 30.24 29.37 2aca n GLN 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2aca n ARG 53 N 0.07 -7.39 0.17 2.61 3.00 -0.07 -4.94 116.66 110.10 2aca n ARG 53 Ca 0.06 0.83 -0.15 0.00 -0.01 0.00 0.00 57.85 58.58 2aca n ARG 53 Cb 0.21 -5.86 -0.07 0.00 0.00 0.00 0.00 32.46 26.74 2aca n ARG 53 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 2aca h THR 54 N -2.40 0.22 -0.30 0.55 2.02 -1.92 -2.58 112.91 108.51 2aca h THR 54 Ca -0.58 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 2aca h THR 54 Cb 1.36 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 2aca h THR 54 CO 0.54 0.00 0.16 -0.07 0.37 0.00 0.00 175.52 176.53 2aca h LEU 55 N -0.69 0.37 -0.36 2.58 3.38 -1.92 -3.11 115.31 115.57 2aca h LEU 55 Ca 0.00 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.92 2aca h LEU 55 Cb 0.67 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2aca h LEU 55 CO -0.15 0.35 0.15 0.74 0.09 0.00 0.00 178.44 179.61 2aca h THR 56 N 0.37 0.93 0.00 0.22 2.02 -1.61 -0.06 112.91 114.77 2aca h THR 56 Ca 0.10 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2aca h THR 56 Cb 0.06 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 2aca h THR 56 CO -0.02 0.06 0.00 0.00 0.37 0.00 0.00 175.52 175.93 2aca n GLN 57 N -4.98 0.01 -0.29 6.66 6.02 -0.98 -1.45 117.38 122.36 2aca n GLN 57 Ca 0.01 0.36 0.07 0.00 -0.01 0.00 0.00 57.00 57.43 2aca n GLN 57 Cb 0.11 -1.52 0.20 0.00 1.02 0.00 0.00 30.24 30.06 2aca n GLN 57 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2aca n GLN 58 N -1.53 2.94 -1.15 -1.09 6.02 -0.58 -4.96 117.38 117.04 2aca n GLN 58 Ca 0.02 -2.36 -0.05 0.00 -0.01 0.00 0.00 57.00 54.60 2aca n GLN 58 Cb 0.10 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.85 2aca n GLN 58 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2aca n GLY 59 N 0.23 0.76 3.73 1.08 0.00 -0.53 -4.67 105.19 105.79 2aca n GLY 59 Ca 0.16 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 2aca n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aca s LYS 60 N -2.18 2.73 -0.07 1.61 1.02 -0.14 -4.44 119.74 118.27 2aca s LYS 60 Ca 0.00 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 55.27 2aca s LYS 60 Cb 0.00 -2.64 0.01 0.00 -0.52 0.00 0.00 37.83 34.68 2aca s LYS 60 CO 0.00 0.56 -0.13 -1.12 -0.92 0.00 0.00 175.35 173.74 2aca s SER 61 N -2.28 1.90 -0.28 2.83 0.01 -0.62 -3.64 113.70 111.62 2aca s SER 61 Ca 0.27 -0.32 -0.03 0.00 1.31 0.00 0.00 55.95 57.18 2aca s SER 61 Cb -0.12 -0.87 0.03 0.00 0.21 0.00 0.00 66.02 65.27 2aca s SER 61 CO 0.19 0.03 -0.00 -0.22 0.41 0.00 0.00 173.24 173.65 2aca s LEU 62 N 0.71 3.63 0.02 2.44 2.96 -1.26 -1.26 118.68 125.93 2aca s LEU 62 Ca -0.13 -1.00 0.06 0.00 -0.22 0.00 0.00 54.13 52.84 2aca s LEU 62 Cb -0.16 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 2aca s LEU 62 CO 0.03 -0.20 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.99 2aca s VAL 63 N 1.34 1.45 -0.19 1.68 1.01 0.26 -0.57 120.40 125.38 2aca s VAL 63 Ca -0.01 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 60.97 2aca s VAL 63 Cb -0.18 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 2aca s VAL 63 CO -0.02 0.25 -0.08 -0.76 0.00 0.00 0.00 175.10 174.49 2aca s LEU 64 N -0.85 2.77 -0.00 3.92 1.43 -0.87 0.12 118.68 125.20 2aca s LEU 64 Ca 0.06 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 52.83 2aca s LEU 64 Cb -0.08 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 2aca s LEU 64 CO 0.01 0.04 -0.18 -0.60 0.23 0.00 0.00 176.35 175.84 2aca s ARG 65 N 1.10 1.44 -0.04 1.70 3.52 0.82 -1.59 118.95 125.90 2aca s ARG 65 Ca 0.01 -0.71 0.02 0.00 -0.13 0.00 0.00 55.73 54.92 2aca s ARG 65 Cb -0.15 -1.42 0.01 0.00 -1.56 0.00 0.00 34.95 31.84 2aca s ARG 65 CO -0.02 0.38 -0.07 -2.00 -0.81 0.00 0.00 175.30 172.78 2aca s GLU 66 N -0.60 0.94 -0.11 5.12 2.12 -0.82 0.12 118.70 125.47 2aca s GLU 66 Ca 0.07 -0.23 0.03 0.00 0.36 0.00 0.00 54.97 55.20 2aca s GLU 66 Cb -0.07 -0.89 0.00 0.00 0.26 0.00 0.00 34.13 33.43 2aca s GLU 66 CO -0.00 0.03 -0.22 0.42 -0.54 0.00 0.00 175.26 174.94 2aca s ILE 67 N 0.50 1.97 0.06 -3.70 1.01 0.11 -0.95 121.20 120.22 2aca s ILE 67 Ca -0.08 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 59.67 2aca s ILE 67 Cb -0.11 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 2aca s ILE 67 CO 0.01 0.54 -0.14 -1.10 0.00 0.00 0.00 174.94 174.25 2aca s GLN 68 N 0.55 0.81 -0.00 2.79 -0.21 -0.41 -0.42 119.66 122.77 2aca s GLN 68 Ca -0.14 -0.91 0.01 0.00 0.02 0.00 0.00 55.36 54.34 2aca s GLN 68 Cb -0.17 -0.80 0.03 0.00 1.00 0.00 0.00 33.01 33.07 2aca s GLN 68 CO 0.04 0.18 0.88 -0.35 -2.12 0.00 0.00 175.29 173.92 2aca n PRO 69 N 1.38 1.09 -0.06 2.91 -0.04 -1.26 -0.38 135.00 138.63 2aca n PRO 69 Ca -0.21 -0.11 0.07 0.00 -0.04 0.00 0.00 63.50 63.22 2aca n PRO 69 Cb 0.54 -1.18 0.44 0.00 -0.04 0.00 0.00 33.50 33.27 2aca n PRO 69 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2aca h ALA 70 N 2.75 1.83 0.00 0.55 0.00 -1.94 -3.46 119.26 118.99 2aca h ALA 70 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2aca h ALA 70 Cb 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2aca h ALA 70 CO 0.01 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.76 2aca n GLY 71 N -1.49 0.41 3.72 0.00 0.00 0.44 -5.03 105.19 103.24 2aca n GLY 71 Ca 0.07 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 2aca n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aca s ILE 72 N -2.00 5.06 -0.09 -0.61 1.01 -0.98 -4.92 121.20 118.67 2aca s ILE 72 Ca 0.00 1.38 0.01 0.00 0.00 0.00 0.00 60.65 62.04 2aca s ILE 72 Cb 0.00 -4.01 0.02 0.00 0.01 0.00 0.00 42.46 38.48 2aca s ILE 72 CO 0.00 0.25 -0.11 -0.54 0.00 0.00 0.00 174.94 174.55 2aca s LYS 73 N 0.82 1.69 0.09 2.79 1.02 -1.26 -0.71 119.74 124.17 2aca s LYS 73 Ca 0.36 -0.37 0.05 0.00 0.02 0.00 0.00 55.97 56.03 2aca s LYS 73 Cb -0.17 -1.53 -0.03 0.00 -0.52 0.00 0.00 37.83 35.58 2aca s LYS 73 CO 0.17 -0.10 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.85 2aca s LEU 74 N 1.10 2.32 -0.20 3.17 1.43 0.12 -0.95 118.68 125.65 2aca s LEU 74 Ca -0.06 -0.68 -0.02 0.00 -1.03 0.00 0.00 54.13 52.34 2aca s LEU 74 Cb -0.14 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.56 2aca s LEU 74 CO -0.02 -0.10 -0.11 0.86 0.23 0.00 0.00 176.35 177.21 2aca s TRP 75 N -1.55 2.88 0.04 0.29 -0.00 -0.68 -0.13 118.94 119.79 2aca s TRP 75 Ca 0.01 -1.24 0.05 0.00 -0.00 0.00 0.00 56.10 54.92 2aca s TRP 75 Cb -0.08 -2.03 -0.02 0.00 -0.00 0.00 0.00 33.47 31.34 2aca s TRP 75 CO 0.02 -0.66 -0.15 0.42 -0.00 0.00 0.00 176.95 176.58 2aca s ILE 76 N 1.40 1.19 -0.09 5.86 1.01 0.33 -2.22 121.20 128.68 2aca s ILE 76 Ca 0.05 -1.06 -0.02 0.00 0.00 0.00 0.00 60.65 59.63 2aca s ILE 76 Cb -0.14 -1.08 0.03 0.00 0.01 0.00 0.00 42.46 41.29 2aca s ILE 76 CO -0.07 0.01 0.01 -0.69 0.00 0.00 0.00 174.94 174.19 2aca s VAL 77 N -0.88 0.40 0.02 2.92 1.01 -0.64 0.91 120.40 124.13 2aca s VAL 77 Ca 0.02 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.06 2aca s VAL 77 Cb -0.08 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 2aca s VAL 77 CO 0.01 0.20 -0.04 -0.54 0.00 0.00 0.00 175.10 174.73 2aca s LYS 78 N 1.96 2.60 0.27 2.72 1.02 -0.39 -1.29 119.74 126.63 2aca s LYS 78 Ca 0.04 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.32 2aca s LYS 78 Cb -0.13 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.64 2aca s LYS 78 CO -0.06 0.60 0.00 0.41 -0.92 0.00 0.00 175.35 175.38 2aca n GLY 79 N 1.38 -2.57 0.27 -3.33 0.00 0.30 -1.59 105.19 99.65 2aca n GLY 79 Ca -0.15 -1.78 0.15 0.00 0.00 0.00 0.00 46.02 44.24 2aca n GLY 79 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2aca h PRO 80 N 0.00 0.00 -6.72 1.61 0.13 -1.83 -3.45 132.00 121.73 2aca h PRO 80 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 2aca h PRO 80 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2aca h PRO 80 CO 0.00 0.09 0.44 -1.21 -0.23 0.00 0.00 178.00 177.09 2aca s GLU 81 N -3.88 4.67 0.46 0.86 8.01 -1.26 -4.84 118.70 122.72 2aca s GLU 81 Ca -0.01 1.68 0.21 0.00 0.01 0.00 0.00 54.97 56.86 2aca s GLU 81 Cb 0.11 -3.26 1.20 0.00 -4.31 0.00 0.00 34.13 27.87 2aca s GLU 81 CO 0.56 0.23 1.91 0.00 0.01 0.00 0.00 175.26 177.97 2aca h ALA 82 N 4.50 2.33 -0.55 5.21 0.00 -1.95 -1.14 119.26 127.67 2aca h ALA 82 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2aca h ALA 82 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2aca h ALA 82 CO 0.70 -0.55 0.00 -0.40 0.00 0.00 0.00 179.25 178.99 2aca n ASP 83 N -4.43 5.48 -4.36 0.00 5.68 -1.26 -4.89 116.55 112.77 2aca n ASP 83 Ca 0.15 -2.88 -0.34 0.00 -0.50 0.00 0.00 54.79 51.23 2aca n ASP 83 Cb 0.66 -0.68 -0.14 0.00 -1.14 0.00 0.00 41.12 39.82 2aca n ASP 83 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 2aca s ARG 84 N -2.66 3.41 -0.14 0.11 3.52 -0.43 -0.65 118.95 122.11 2aca s ARG 84 Ca 0.52 -0.65 -0.06 0.00 -0.13 0.00 0.00 55.73 55.41 2aca s ARG 84 Cb 0.39 -2.80 0.06 0.00 -1.56 0.00 0.00 34.95 31.05 2aca s ARG 84 CO 0.15 0.06 0.31 0.00 -0.81 0.00 0.00 175.30 175.01 2aca s GLU 86 N 1.97 1.14 0.12 0.00 2.02 -0.41 -4.97 118.70 118.57 2aca s GLU 86 Ca -0.04 -1.18 -0.25 0.00 0.02 0.00 0.00 54.97 53.52 2aca s GLU 86 Cb -0.11 -1.40 0.07 0.00 0.10 0.00 0.00 34.13 32.79 2aca s GLU 86 CO -0.10 0.32 0.76 0.00 0.02 0.00 0.00 175.26 176.27 2aca s ALA 87 N -1.20 -1.63 -0.12 5.21 0.00 -1.26 -1.63 121.76 121.13 2aca s ALA 87 Ca 0.07 0.50 -0.14 0.00 0.00 0.00 0.00 51.96 52.39 2aca s ALA 87 Cb -0.10 0.69 0.04 0.00 0.00 0.00 0.00 23.12 23.75 2aca s ALA 87 CO 0.04 -0.82 0.37 -0.08 0.00 0.00 0.00 175.76 175.27 2aca s THR 88 N -3.50 0.01 0.46 0.00 -1.32 -0.94 -5.00 115.64 105.35 2aca s THR 88 Ca 0.05 -0.08 -0.22 0.00 -1.21 0.00 0.00 61.69 60.24 2aca s THR 88 Cb -0.02 -0.55 -0.08 0.00 -1.51 0.00 0.00 72.50 70.34 2aca s THR 88 CO -0.07 -0.04 1.10 0.20 -2.21 0.00 0.00 174.62 173.60 2aca s ASN 89 N -0.07 6.32 0.09 8.08 0.02 -1.26 -1.69 114.94 126.43 2aca s ASN 89 Ca -0.02 2.12 0.06 0.00 -1.02 0.00 0.00 52.86 54.00 2aca s ASN 89 Cb -0.03 -2.59 -0.03 0.00 0.02 0.00 0.00 41.25 38.62 2aca s ASN 89 CO 0.01 -0.80 -0.17 0.27 0.02 0.00 0.00 177.10 176.43 2aca s ILE 90 N -1.71 1.36 -0.07 0.60 -4.36 -0.13 -4.88 121.20 112.01 2aca s ILE 90 Ca 0.64 -1.44 0.10 0.00 -0.26 0.00 0.00 60.65 59.68 2aca s ILE 90 Cb -0.23 -1.30 -0.24 0.00 1.25 0.00 0.00 42.46 41.94 2aca s ILE 90 CO 0.28 -0.19 0.56 0.35 0.24 0.00 0.00 174.94 176.18 2aca n THR 91 N 1.12 1.62 -3.84 8.37 -2.24 -1.26 -4.45 114.28 113.60 2aca n THR 91 Ca -0.20 -0.77 -0.34 0.00 -2.27 0.00 0.00 64.05 60.46 2aca n THR 91 Cb 0.54 -1.12 -0.12 0.00 -2.10 0.00 0.00 70.33 67.53 2aca n THR 91 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2aca s LYS 92 N -2.58 1.94 0.20 -0.78 1.02 -1.26 -4.97 119.74 113.30 2aca s LYS 92 Ca -0.08 -1.99 -0.11 0.00 0.02 0.00 0.00 55.97 53.80 2aca s LYS 92 Cb 0.08 -3.49 0.13 0.00 -0.52 0.00 0.00 37.83 34.03 2aca s LYS 92 CO 0.81 -1.06 1.86 1.25 -0.92 0.00 0.00 175.35 177.30 2aca h LEU 93 N 7.68 0.81 -0.91 3.17 5.85 -1.99 -2.49 115.31 127.44 2aca h LEU 93 Ca -0.09 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 2aca h LEU 93 Cb 1.02 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 2aca h LEU 93 CO 0.65 0.60 -0.28 -2.24 -0.34 0.00 0.00 178.44 176.83 2aca h ASP 94 N 0.94 0.48 -0.21 1.25 -0.00 -1.99 -1.38 116.42 115.51 2aca h ASP 94 Ca 0.25 -0.17 -0.03 0.00 -0.00 0.00 0.00 57.03 57.08 2aca h ASP 94 Cb -0.09 -0.13 -0.01 0.00 -0.00 0.00 0.00 39.33 39.10 2aca h ASP 94 CO -0.05 0.75 0.01 0.28 -0.00 0.00 0.00 179.24 180.22 2aca h SER 95 N 0.42 0.36 -0.60 4.15 0.02 -1.94 -0.29 113.55 115.67 2aca h SER 95 Ca 0.06 -0.30 0.04 0.00 -0.84 0.00 0.00 61.79 60.75 2aca h SER 95 Cb 0.70 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.10 2aca h SER 95 CO 0.05 0.57 0.33 0.00 -1.14 0.00 0.00 176.83 176.65 2aca h ALA 96 N 0.80 0.78 -0.32 3.77 0.00 -1.30 -1.93 119.26 121.06 2aca h ALA 96 Ca 0.06 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2aca h ALA 96 Cb 0.38 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2aca h ALA 96 CO 0.01 0.02 0.14 1.96 0.00 0.00 0.00 179.25 181.38 2aca h GLN 97 N 0.64 0.29 -1.65 0.00 4.20 -0.99 -1.19 115.11 116.41 2aca h GLN 97 Ca 0.26 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.95 2aca h GLN 97 Cb 0.11 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2aca h GLN 97 CO -0.15 0.19 0.00 0.45 -0.67 0.00 0.00 178.83 178.65 2aca n SER 98 N -4.98 1.30 0.00 1.46 2.88 -0.14 -2.29 113.62 111.85 2aca n SER 98 Ca 0.00 -0.89 0.00 0.00 -1.33 0.00 0.00 58.87 56.65 2aca n SER 98 Cb 0.09 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 2aca n SER 98 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2aca n LEU 100 N 0.92 0.00 -0.07 2.46 4.77 -0.45 -1.37 117.00 123.25 2aca n LEU 100 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 2aca n LEU 100 Cb 0.20 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 2aca n LEU 100 CO 0.00 0.00 0.79 -0.08 -1.33 0.00 0.00 177.39 176.77 2aca h GLU 101 N 0.00 0.38 -1.97 3.23 4.57 -1.60 0.04 114.58 119.23 2aca h GLU 101 Ca 0.00 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 2aca h GLU 101 Cb 0.00 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2aca h GLU 101 CO 0.00 0.53 0.00 -1.71 -1.18 0.00 0.00 179.01 176.65 2aca n ASN 102 N -4.70 0.88 0.00 1.04 4.05 -0.47 -3.90 115.26 112.16 2aca n ASN 102 Ca -0.04 -1.08 0.00 0.00 0.45 0.00 0.00 54.58 53.91 2aca n ASN 102 Cb 0.21 -0.18 0.00 0.00 1.23 0.00 0.00 39.78 41.04 2aca n ASN 102 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2aca n GLY 104 N 1.72 0.49 3.94 8.20 0.00 -1.05 -5.22 105.19 113.27 2aca n GLY 104 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2aca n GLY 104 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aca s TYR 105 N -0.55 3.12 0.05 1.61 2.02 -0.03 -4.53 117.35 119.04 2aca s TYR 105 Ca 0.00 -0.19 -0.04 0.00 -0.37 0.00 0.00 57.07 56.47 2aca s TYR 105 Cb 0.00 -1.81 -0.02 0.00 -0.40 0.00 0.00 41.96 39.72 2aca s TYR 105 CO 0.00 0.17 0.06 -1.83 -1.57 0.00 0.00 175.55 172.38 2aca s GLU 106 N -4.06 0.64 -0.09 -0.62 -1.05 -0.52 -4.06 118.70 108.94 2aca s GLU 106 Ca 0.41 -0.99 -0.30 0.00 -0.15 0.00 0.00 54.97 53.94 2aca s GLU 106 Cb -0.08 0.24 -0.03 0.00 -0.44 0.00 0.00 34.13 33.82 2aca s GLU 106 CO 0.29 -0.15 1.34 0.08 0.95 0.00 0.00 175.26 177.77 2aca s VAL 107 N -3.39 4.05 -0.04 1.83 1.01 -1.26 -2.10 120.40 120.51 2aca s VAL 107 Ca 0.02 1.33 0.19 0.00 0.00 0.00 0.00 61.98 63.52 2aca s VAL 107 Cb 0.04 -3.86 -0.30 0.00 0.00 0.00 0.00 36.38 32.26 2aca s VAL 107 CO -0.08 -0.07 0.41 2.30 0.00 0.00 0.00 175.10 177.65 2aca n ILE 108 N 5.10 0.08 -3.52 2.22 -5.35 0.17 -4.96 119.36 113.09 2aca n ILE 108 Ca 0.14 -0.47 -0.17 0.00 -0.27 0.00 0.00 62.75 61.98 2aca n ILE 108 Cb 0.45 0.02 -0.06 0.00 -1.74 0.00 0.00 39.64 38.31 2aca n ILE 108 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2aca s GLN 109 N -3.30 1.01 0.04 6.28 0.74 -1.16 -5.02 119.66 118.25 2aca s GLN 109 Ca -0.07 0.21 -0.06 0.00 0.05 0.00 0.00 55.36 55.49 2aca s GLN 109 Cb 0.12 0.48 -0.01 0.00 1.10 0.00 0.00 33.01 34.70 2aca s GLN 109 CO 0.81 -0.32 0.11 0.00 -0.55 0.00 0.00 175.29 175.33 2aca s SER 111 N -2.19 -0.32 0.02 0.00 0.15 -0.08 -4.99 113.70 106.30 2aca s SER 111 Ca -0.04 -0.35 -0.05 0.00 0.70 0.00 0.00 55.95 56.21 2aca s SER 111 Cb -0.00 0.60 -0.01 0.00 -1.71 0.00 0.00 66.02 64.90 2aca s SER 111 CO -0.05 -1.07 0.09 -0.54 1.20 0.00 0.00 173.24 172.87 2aca s LYS 112 N -3.63 0.50 0.26 5.44 1.02 -1.26 -0.13 119.74 121.95 2aca s LYS 112 Ca 0.08 -0.59 -0.21 0.00 0.02 0.00 0.00 55.97 55.27 2aca s LYS 112 Cb -0.03 0.20 0.03 0.00 -0.52 0.00 0.00 37.83 37.51 2aca s LYS 112 CO -0.01 -0.12 0.78 -1.59 -0.92 0.00 0.00 175.35 173.50 2aca s LYS 113 N -1.94 1.69 -0.14 1.68 -2.85 -0.54 -4.90 119.74 112.74 2aca s LYS 113 Ca -0.11 -0.95 -0.10 0.00 -1.00 0.00 0.00 55.97 53.81 2aca s LYS 113 Cb -0.05 0.56 -0.05 0.00 -2.06 0.00 0.00 37.83 36.24 2aca s LYS 113 CO -0.02 -0.78 0.20 0.42 0.10 0.00 0.00 175.35 175.28 2aca s ILE 114 N -3.64 5.38 -0.01 3.79 -1.09 -0.96 -0.73 121.20 123.94 2aca s ILE 114 Ca 0.12 0.35 -0.02 0.00 -2.23 0.00 0.00 60.65 58.87 2aca s ILE 114 Cb -0.05 -3.51 -0.00 0.00 -1.58 0.00 0.00 42.46 37.32 2aca s ILE 114 CO 0.06 0.50 0.03 -0.60 -1.23 0.00 0.00 174.94 173.71 2aca s ARG 115 N -0.21 0.15 -0.00 2.79 3.52 -0.03 -1.20 118.95 123.96 2aca s ARG 115 Ca 0.14 -0.14 0.04 0.00 -0.13 0.00 0.00 55.73 55.64 2aca s ARG 115 Cb -0.12 0.06 -0.01 0.00 -1.56 0.00 0.00 34.95 33.31 2aca s ARG 115 CO 0.03 -0.03 -0.13 -1.12 -0.81 0.00 0.00 175.30 173.24 2aca s SER 116 N -0.45 1.56 -0.08 -2.12 0.01 -0.55 -1.23 113.70 110.84 2aca s SER 116 Ca -0.05 -0.27 0.02 0.00 1.31 0.00 0.00 55.95 56.97 2aca s SER 116 Cb -0.03 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 66.05 2aca s SER 116 CO -0.00 0.15 -0.13 -0.63 0.41 0.00 0.00 173.24 173.03 2aca s ILE 117 N -0.38 1.26 0.23 1.44 1.01 -0.19 -0.84 121.20 123.73 2aca s ILE 117 Ca 0.05 -0.53 0.10 0.00 0.00 0.00 0.00 60.65 60.26 2aca s ILE 117 Cb -0.05 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.22 2aca s ILE 117 CO -0.00 0.38 -0.18 -0.36 0.00 0.00 0.00 174.94 174.78 2aca s PHE 118 N 0.75 2.02 -0.04 3.97 0.40 0.55 -2.98 117.98 122.66 2aca s PHE 118 Ca -0.13 -0.44 0.06 0.00 -0.60 0.00 0.00 56.93 55.83 2aca s PHE 118 Cb -0.16 -0.92 -0.02 0.00 0.51 0.00 0.00 43.02 42.43 2aca s PHE 118 CO 0.03 0.52 -0.21 -0.06 0.70 0.00 0.00 175.22 176.20 2aca s PHE 119 N -2.55 2.49 -0.36 0.36 2.99 0.16 -1.44 117.98 119.62 2aca s PHE 119 Ca 0.25 -0.38 0.00 0.00 0.00 0.00 0.00 56.93 56.80 2aca s PHE 119 Cb -0.04 -1.57 0.13 0.00 0.00 0.00 0.00 43.02 41.55 2aca s PHE 119 CO 0.11 0.02 0.20 0.08 -0.00 0.00 0.00 175.22 175.63 2aca s VAL 120 N -0.58 0.48 0.00 -0.44 1.01 -0.60 -0.06 120.40 120.21 2aca s VAL 120 Ca 0.08 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.25 2aca s VAL 120 Cb -0.11 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.92 2aca s VAL 120 CO 0.00 -0.92 0.00 0.61 0.00 0.00 0.00 175.10 174.79 2aca n GLY 121 N 4.08 1.26 0.96 4.51 0.00 -1.26 -1.77 105.19 112.97 2aca n GLY 121 Ca 0.09 -0.62 0.09 0.00 0.00 0.00 0.00 46.02 45.57 2aca n GLY 121 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2aca n GLU 122 N 12.63 2.20 -3.49 1.61 0.28 -1.26 -4.91 120.64 127.71 2aca n GLU 122 Ca 0.00 -1.87 -0.35 0.00 -0.16 0.00 0.00 57.16 54.78 2aca n GLU 122 Cb 0.00 -1.41 -0.06 0.00 1.43 0.00 0.00 31.44 31.41 2aca n GLU 122 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2aca s PHE 123 N -1.32 3.61 -0.13 -1.84 0.08 -0.73 -4.74 117.98 112.92 2aca s PHE 123 Ca 0.35 0.91 -0.02 0.00 0.12 0.00 0.00 56.93 58.29 2aca s PHE 123 Cb 0.18 -2.25 -0.03 0.00 -0.57 0.00 0.00 43.02 40.36 2aca s PHE 123 CO 0.24 0.50 -0.06 -1.01 -0.10 0.00 0.00 175.22 174.79 2aca s HIS 124 N -1.38 2.97 -0.20 0.36 3.76 -0.17 -1.56 115.29 119.07 2aca s HIS 124 Ca 0.34 -0.26 0.01 0.00 -0.15 0.00 0.00 55.06 55.00 2aca s HIS 124 Cb -0.15 -1.88 0.03 0.00 1.11 0.00 0.00 32.58 31.70 2aca s HIS 124 CO 0.18 0.04 -0.16 0.42 -0.85 0.00 0.00 174.74 174.37 2aca s ILE 125 N 0.05 2.00 -0.18 0.60 1.01 -0.52 -1.05 121.20 123.10 2aca s ILE 125 Ca -0.01 -1.12 -0.02 0.00 0.00 0.00 0.00 60.65 59.50 2aca s ILE 125 Cb -0.14 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 2aca s ILE 125 CO 0.03 0.33 -0.08 -0.89 0.00 0.00 0.00 174.94 174.33 2aca s THR 126 N 1.27 3.23 -0.26 2.92 2.01 -0.20 -0.33 115.64 124.28 2aca s THR 126 Ca 0.00 -0.57 -0.05 0.00 0.31 0.00 0.00 61.69 61.39 2aca s THR 126 Cb -0.15 -2.42 0.01 0.00 0.01 0.00 0.00 72.50 69.94 2aca s THR 126 CO -0.10 0.47 0.02 -0.22 -0.69 0.00 0.00 174.62 174.10 2aca s LEU 127 N 0.93 3.43 0.21 4.42 2.96 -0.02 -0.89 118.68 129.71 2aca s LEU 127 Ca -0.01 -0.62 0.09 0.00 -0.22 0.00 0.00 54.13 53.37 2aca s LEU 127 Cb -0.15 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 2aca s LEU 127 CO 0.00 -0.12 -0.09 -1.81 -1.32 0.00 0.00 176.35 173.01 2aca s ASP 128 N 1.47 4.23 -0.17 3.68 -0.00 0.62 -1.49 116.67 125.02 2aca s ASP 128 Ca 0.03 -0.64 -0.01 0.00 -0.00 0.00 0.00 52.55 51.94 2aca s ASP 128 Cb -0.16 -0.70 0.05 0.00 -0.00 0.00 0.00 42.92 42.11 2aca s ASP 128 CO -0.00 0.08 -0.02 0.12 -0.00 0.00 0.00 175.17 175.34 2aca s PHE 129 N -1.89 1.46 -0.50 4.23 5.36 -0.34 -1.25 117.98 125.06 2aca s PHE 129 Ca 0.26 -0.97 -0.03 0.00 -0.96 0.00 0.00 56.93 55.23 2aca s PHE 129 Cb -0.08 -1.20 0.13 0.00 -0.34 0.00 0.00 43.02 41.53 2aca s PHE 129 CO 0.16 -0.59 0.30 -1.17 -1.46 0.00 0.00 175.22 172.46 2aca s LEU 130 N 1.71 5.26 -0.11 6.12 2.96 -0.12 -2.28 118.68 132.22 2aca s LEU 130 Ca 0.00 -2.36 -0.40 0.00 -0.22 0.00 0.00 54.13 51.15 2aca s LEU 130 Cb -0.16 -1.84 -0.18 0.00 0.50 0.00 0.00 46.19 44.51 2aca s LEU 130 CO -0.07 -0.48 1.42 -0.67 -1.32 0.00 0.00 176.35 175.22 2aca n ASP 131 N 4.16 1.37 0.00 3.68 2.03 -1.26 -0.10 116.55 126.42 2aca n ASP 131 Ca 0.02 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.45 2aca n ASP 131 Cb 0.40 -1.07 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 2aca n ASP 131 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2aca n GLY 132 N 2.91 1.84 0.00 0.27 0.00 -1.26 -4.78 105.19 104.17 2aca n GLY 132 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2aca n GLY 132 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2aca n PHE 133 N -2.00 0.00 0.00 1.61 3.72 0.85 -5.15 117.46 116.49 2aca n PHE 133 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2aca n PHE 133 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2aca n PHE 133 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2aca n GLY 134 N 2.62 -0.43 3.93 1.37 0.00 -0.54 -4.97 105.19 107.18 2aca n GLY 134 Ca 0.00 -2.20 -0.28 0.00 0.00 0.00 0.00 46.02 43.54 2aca n GLY 134 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aca s HIS 135 N 0.00 3.49 0.04 1.61 3.76 -1.26 -0.94 115.29 121.99 2aca s HIS 135 Ca 0.00 0.25 -0.06 0.00 -0.15 0.00 0.00 55.06 55.11 2aca s HIS 135 Cb 0.00 -1.77 -0.01 0.00 1.11 0.00 0.00 32.58 31.91 2aca s HIS 135 CO 0.00 0.49 0.10 -0.06 -0.85 0.00 0.00 174.74 174.41 2aca s PHE 136 N -1.72 0.19 0.02 1.40 0.08 -0.38 -0.91 117.98 116.67 2aca s PHE 136 Ca 0.36 -0.49 0.02 0.00 0.12 0.00 0.00 56.93 56.95 2aca s PHE 136 Cb -0.12 -0.14 -0.02 0.00 -0.57 0.00 0.00 43.02 42.18 2aca s PHE 136 CO 0.28 -0.36 -0.08 0.00 -0.10 0.00 0.00 175.22 174.96 2aca s ALA 137 N -2.55 0.63 -0.07 5.36 0.00 0.38 -0.27 121.76 125.23 2aca s ALA 137 Ca -0.05 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 51.38 2aca s ALA 137 Cb -0.01 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.05 2aca s ALA 137 CO -0.04 0.08 -0.14 -1.21 0.00 0.00 0.00 175.76 174.45 2aca s GLU 138 N -0.88 1.90 -0.16 0.00 2.02 -0.07 -0.41 118.70 121.11 2aca s GLU 138 Ca -0.03 -0.48 -0.01 0.00 0.02 0.00 0.00 54.97 54.47 2aca s GLU 138 Cb -0.06 -1.54 -0.01 0.00 0.10 0.00 0.00 34.13 32.62 2aca s GLU 138 CO 0.00 0.05 -0.12 -0.06 0.02 0.00 0.00 175.26 175.15 2aca s PHE 139 N 0.62 2.83 0.18 1.61 0.40 -0.19 -1.03 117.98 122.41 2aca s PHE 139 Ca -0.15 -0.89 -0.05 0.00 -0.60 0.00 0.00 56.93 55.25 2aca s PHE 139 Cb -0.16 -1.92 -0.03 0.00 0.51 0.00 0.00 43.02 41.42 2aca s PHE 139 CO 0.04 -0.40 0.20 0.00 0.70 0.00 0.00 175.22 175.76 2aca s ALA 140 N 0.79 0.62 0.00 5.36 0.00 -0.22 -0.83 121.76 127.47 2aca s ALA 140 Ca -0.05 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.58 2aca s ALA 140 Cb -0.15 1.08 0.00 0.00 0.00 0.00 0.00 23.12 24.05 2aca s ALA 140 CO 0.01 -0.61 0.00 1.51 0.00 0.00 0.00 175.76 176.66 2aca n ILE 141 N -0.23 0.00 0.00 0.00 0.00 -0.33 -1.00 119.36 117.80 2aca n ILE 141 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.72 2aca n ILE 141 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 39.64 40.28 2aca n ILE 141 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2aca n THR 143 N 0.00 0.00 0.62 9.51 5.66 -0.65 -1.20 114.28 128.22 2aca n THR 143 Ca 0.00 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.07 2aca n THR 143 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 2aca n THR 143 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2aca n ASP 144 N 0.00 1.07 -4.39 1.09 10.43 -1.26 -0.79 116.55 122.69 2aca n ASP 144 Ca 0.00 -1.03 -0.45 0.00 2.57 0.00 0.00 54.79 55.88 2aca n ASP 144 Cb 0.00 0.73 -0.04 0.00 1.84 0.00 0.00 41.12 43.65 2aca n ASP 144 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2aca s ASP 145 N -1.97 6.29 0.17 -2.24 3.68 -1.26 -4.91 116.67 116.43 2aca s ASP 145 Ca 0.08 -1.57 0.18 0.00 2.13 0.00 0.00 52.55 53.37 2aca s ASP 145 Cb 0.11 -2.32 0.79 0.00 -1.45 0.00 0.00 42.92 40.05 2aca s ASP 145 CO 0.45 -1.11 1.54 1.21 0.13 0.00 0.00 175.17 177.39 2aca n GLU 146 N 6.35 0.11 0.19 4.34 2.13 -1.26 -2.16 120.64 130.33 2aca n GLU 146 Ca -0.02 0.44 0.13 0.00 0.66 0.00 0.00 57.16 58.36 2aca n GLU 146 Cb 0.44 -1.75 0.26 0.00 0.27 0.00 0.00 31.44 30.67 2aca n GLU 146 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 2aca h THR 147 N 0.00 0.00 -0.66 6.31 1.35 -2.02 -3.27 112.91 114.63 2aca h THR 147 Ca 0.00 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 2aca h THR 147 Cb 0.20 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2aca h THR 147 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 2aca n ALA 148 N -2.02 2.95 0.13 6.62 0.00 -0.92 -4.63 120.51 122.65 2aca n ALA 148 Ca 0.04 -1.48 -0.14 0.00 0.00 0.00 0.00 53.44 51.86 2aca n ALA 148 Cb 0.49 -1.01 -0.08 0.00 0.00 0.00 0.00 19.45 18.85 2aca n ALA 148 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2aca h LEU 149 N 4.06 -0.24 -0.38 0.00 3.38 -1.71 -1.80 115.31 118.62 2aca h LEU 149 Ca 0.00 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2aca h LEU 149 Cb 1.33 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.10 2aca h LEU 149 CO 0.18 -0.09 0.15 0.00 0.09 0.00 0.00 178.44 178.77 2aca h ALA 150 N 0.41 0.45 -0.89 1.53 0.00 -1.88 -0.99 119.26 117.91 2aca h ALA 150 Ca -0.03 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2aca h ALA 150 Cb 0.28 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2aca h ALA 150 CO 0.05 -0.23 0.57 -0.09 0.00 0.00 0.00 179.25 179.55 2aca h ARG 151 N 0.32 1.17 -0.56 0.00 2.43 -1.86 -1.57 114.38 114.31 2aca h ARG 151 Ca 0.17 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 2aca h ARG 151 Cb 0.13 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 2aca h ARG 151 CO -0.16 0.79 0.07 1.88 -1.51 0.00 0.00 179.97 181.04 2aca h TYR 152 N 1.20 1.00 -0.06 2.20 0.05 -0.86 -1.67 116.97 118.83 2aca h TYR 152 Ca 0.32 -0.15 -0.04 0.00 0.05 0.00 0.00 58.73 58.91 2aca h TYR 152 Cb -0.12 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.34 2aca h TYR 152 CO -0.01 0.89 -0.16 -0.09 -1.05 0.00 0.00 178.16 177.74 2aca h ARG 153 N 0.83 0.09 -0.23 4.88 2.43 -0.79 -0.80 114.38 120.79 2aca h ARG 153 Ca 0.17 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.21 2aca h ARG 153 Cb 0.44 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2aca h ARG 153 CO 0.02 0.26 -0.26 0.93 -1.51 0.00 0.00 179.97 179.41 2aca h GLU 154 N 0.09 0.58 0.00 0.20 5.08 -0.80 -2.50 114.58 117.22 2aca h GLU 154 Ca 0.02 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 58.00 2aca h GLU 154 Cb 0.34 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2aca h GLU 154 CO 0.02 0.91 -0.27 0.00 -1.00 0.00 0.00 179.01 178.68 2aca h ARG 155 N 0.27 0.00 0.00 2.33 3.08 -0.71 -2.08 114.38 117.27 2aca h ARG 155 Ca 0.03 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 2aca h ARG 155 Cb 0.82 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 2aca h ARG 155 CO 0.06 0.27 -0.50 -0.07 -1.07 0.00 0.00 179.97 178.66 2aca h LEU 156 N 0.00 0.00 -0.04 3.04 3.38 -1.03 -1.08 115.31 119.58 2aca h LEU 156 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2aca h LEU 156 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2aca h LEU 156 CO 0.03 0.50 -0.25 0.58 0.09 0.00 0.00 178.44 179.40 2aca h VAL 157 N 0.00 1.47 -0.47 1.22 2.07 -0.96 -2.06 116.25 117.53 2aca h VAL 157 Ca -0.01 -1.75 0.01 0.00 0.82 0.00 0.00 66.70 65.78 2aca h VAL 157 Cb 1.16 2.48 -0.03 0.00 -1.52 0.00 0.00 31.29 33.39 2aca h VAL 157 CO 0.07 0.49 0.30 0.00 0.02 0.00 0.00 177.57 178.44 2aca h ALA 158 N 0.37 0.59 0.10 1.67 0.00 -1.37 0.40 119.26 121.02 2aca h ALA 158 Ca -0.02 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2aca h ALA 158 Cb 0.93 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2aca h ALA 158 CO 0.05 0.01 -0.20 1.25 0.00 0.00 0.00 179.25 180.36 2aca h LEU 159 N 0.60 -0.56 -1.59 0.00 6.46 -1.22 -0.85 115.31 118.14 2aca h LEU 159 Ca 0.18 0.07 0.04 0.00 -0.12 0.00 0.00 57.88 58.04 2aca h LEU 159 Cb -0.04 0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.08 2aca h LEU 159 CO -0.06 -0.28 0.32 0.00 -0.62 0.00 0.00 178.44 177.81 2aca h ALA 160 N 0.45 1.80 -0.32 1.25 0.00 -0.91 -0.44 119.26 121.08 2aca h ALA 160 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2aca h ALA 160 Cb 0.40 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2aca h ALA 160 CO -0.12 0.14 0.20 1.96 0.00 0.00 0.00 179.25 181.44 2aca h GLN 161 N 0.53 0.43 -0.05 0.00 4.20 0.12 -0.62 115.11 119.71 2aca h GLN 161 Ca 0.20 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 2aca h GLN 161 Cb 0.14 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 2aca h GLN 161 CO -0.05 0.29 -0.02 1.96 -0.67 0.00 0.00 178.83 180.35 2aca h GLN 162 N 0.44 0.06 -0.71 1.46 4.20 -0.24 0.00 115.11 120.33 2aca h GLN 162 Ca 0.12 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2aca h GLN 162 Cb -0.03 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.73 2aca h GLN 162 CO -0.02 0.09 0.00 1.19 -0.67 0.00 0.00 178.83 179.42 2aca n PHE 163 N -4.48 1.22 -3.64 2.96 3.01 -0.27 -4.90 117.46 111.36 2aca n PHE 163 Ca -0.02 -0.44 -0.23 0.00 1.01 0.00 0.00 57.45 57.78 2aca n PHE 163 Cb 0.13 -0.32 0.06 0.00 -0.01 0.00 0.00 39.48 39.34 2aca n PHE 163 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 2aca n HIS 164 N 0.45 -2.33 -4.92 1.38 8.25 -0.01 -4.95 115.22 113.09 2aca n HIS 164 Ca 0.17 0.93 -0.33 0.00 -0.26 0.00 0.00 57.72 58.24 2aca n HIS 164 Cb 0.79 -4.68 -0.14 0.00 1.12 0.00 0.00 29.99 27.08 2aca n HIS 164 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2aca s LEU 165 N -6.89 2.58 0.52 2.41 1.43 -1.01 -5.03 118.68 112.71 2aca s LEU 165 Ca 0.29 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 2aca s LEU 165 Cb -0.14 -1.54 -0.00 0.00 0.03 0.00 0.00 46.19 44.54 2aca s LEU 165 CO 0.77 0.24 0.02 -0.94 0.23 0.00 0.00 176.35 176.67 2aca s SER 166 N -0.11 4.18 0.60 2.29 1.04 -1.26 -3.95 113.70 116.49 2aca s SER 166 Ca -0.02 -1.67 0.40 0.00 0.48 0.00 0.00 55.95 55.13 2aca s SER 166 Cb -0.14 0.62 2.03 0.00 0.10 0.00 0.00 66.02 68.63 2aca s SER 166 CO 0.04 -0.91 2.20 -0.08 0.98 0.00 0.00 173.24 175.47 2aca h GLU 167 N 1.27 0.00 0.00 4.02 4.57 -1.99 0.17 114.58 122.62 2aca h GLU 167 Ca -0.44 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.72 2aca h GLU 167 Cb 1.32 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.91 2aca h GLU 167 CO 0.73 0.00 -0.11 0.00 -1.18 0.00 0.00 179.01 178.45 2aca h ALA 168 N 2.01 0.98 -0.01 2.92 0.00 -2.02 -2.57 119.26 120.57 2aca h ALA 168 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2aca h ALA 168 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2aca h ALA 168 CO 0.00 0.13 -0.39 -0.25 0.00 0.00 0.00 179.25 178.74 2aca n ASP 169 N -3.19 1.50 -4.68 0.00 8.00 0.57 -4.95 116.55 113.80 2aca n ASP 169 Ca 0.01 -1.19 -0.43 0.00 0.71 0.00 0.00 54.79 53.90 2aca n ASP 169 Cb 0.43 0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.83 2aca n ASP 169 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2aca n ARG 170 N -0.39 2.73 -3.48 -1.24 5.12 -0.97 -0.50 116.66 117.94 2aca n ARG 170 Ca 0.10 1.00 -0.39 0.00 -1.93 0.00 0.00 57.85 56.63 2aca n ARG 170 Cb 0.41 -2.90 -0.10 0.00 -1.16 0.00 0.00 32.46 28.71 2aca n ARG 170 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2aca s GLU 171 N 3.17 3.90 0.10 5.56 2.56 0.38 -4.84 118.70 129.52 2aca s GLU 171 Ca 0.84 -0.20 0.23 0.00 0.00 0.00 0.00 54.97 55.85 2aca s GLU 171 Cb -0.50 -3.69 0.02 0.00 2.00 0.00 0.00 34.13 31.96 2aca s GLU 171 CO 0.40 -0.28 1.00 0.72 -0.56 0.00 0.00 175.26 176.53 2aca n HIS 172 N 5.22 0.49 -2.91 5.30 8.25 -1.26 -4.38 115.22 125.94 2aca n HIS 172 Ca -0.11 0.14 -0.33 0.00 -0.26 0.00 0.00 57.72 57.16 2aca n HIS 172 Cb 0.51 -0.64 -0.07 0.00 1.12 0.00 0.00 29.99 30.91 2aca n HIS 172 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2aca s ARG 173 N -3.29 4.21 0.77 -0.41 0.52 -1.26 -5.06 118.95 114.43 2aca s ARG 173 Ca 0.01 1.02 -0.11 0.00 -0.52 0.00 0.00 55.73 56.13 2aca s ARG 173 Cb 0.13 -2.32 0.07 0.00 0.52 0.00 0.00 34.95 33.34 2aca s ARG 173 CO 0.80 0.06 1.14 -1.54 0.02 0.00 0.00 175.30 175.78 2aca s SER 174 N -2.13 4.70 0.16 0.23 1.04 -1.26 -4.81 113.70 111.63 2aca s SER 174 Ca 0.58 0.77 -0.19 0.00 0.48 0.00 0.00 55.95 57.59 2aca s SER 174 Cb -0.10 -1.34 0.06 0.00 0.10 0.00 0.00 66.02 64.73 2aca s SER 174 CO 0.15 -1.76 1.66 0.22 0.98 0.00 0.00 173.24 174.49 2aca h TYR 175 N -0.91 -0.35 -0.89 5.02 3.20 -2.00 -0.85 116.97 120.19 2aca h TYR 175 Ca -0.46 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.49 2aca h TYR 175 Cb 1.32 0.20 -0.05 0.00 1.54 0.00 0.00 36.73 39.73 2aca h TYR 175 CO 0.34 -0.22 0.58 -0.22 -1.64 0.00 0.00 178.16 177.01 2aca h LYS 176 N -0.09 1.04 -0.25 1.82 3.64 -2.00 -2.31 116.57 118.42 2aca h LYS 176 Ca 0.16 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.30 2aca h LYS 176 Cb 0.34 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2aca h LYS 176 CO -0.37 0.69 -0.55 0.93 -2.27 0.00 0.00 179.45 177.87 2aca h GLU 177 N 1.07 0.75 -0.64 1.90 5.08 -1.66 -1.82 114.58 119.25 2aca h GLU 177 Ca 0.36 -0.48 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2aca h GLU 177 Cb 0.09 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2aca h GLU 177 CO -0.12 1.10 0.37 0.82 -1.00 0.00 0.00 179.01 180.18 2aca h ILE 178 N 0.57 1.20 -0.68 3.13 2.04 -0.84 -1.55 117.51 121.38 2aca h ILE 178 Ca 0.01 -0.47 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 2aca h ILE 178 Cb 1.14 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 2aca h ILE 178 CO 0.12 0.21 0.19 -0.07 0.00 0.00 0.00 178.15 178.60 2aca h LEU 179 N 0.87 1.00 -1.64 1.44 -0.00 -1.34 -2.53 115.31 113.11 2aca h LEU 179 Ca 0.23 -0.19 -0.01 0.00 -0.00 0.00 0.00 57.88 57.91 2aca h LEU 179 Cb 0.01 -0.26 -0.00 0.00 -0.00 0.00 0.00 40.66 40.41 2aca h LEU 179 CO -0.04 0.95 -0.03 0.28 -0.00 0.00 0.00 178.44 179.60 2aca h SER 180 N 1.02 0.00 0.00 -0.43 0.02 -0.69 -3.52 113.55 109.95 2aca h SER 180 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2aca h SER 180 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2aca h SER 180 CO -0.00 0.03 0.00 0.00 -1.14 0.00 0.00 176.83 175.72