#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6a s VAL 6 N 0.00 0.07 -0.16 1.59 1.01 -1.26 -5.03 120.40 116.61 1a6a s VAL 6 Ca 0.00 0.27 -0.04 0.00 0.00 0.00 0.00 61.98 62.20 1a6a s VAL 6 Cb 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 1a6a s VAL 6 CO 0.00 0.18 -0.02 -0.63 0.00 0.00 0.00 175.10 174.63 1a6a s ILE 7 N 1.78 3.99 -0.06 2.22 1.01 -1.26 -1.80 121.20 127.08 1a6a s ILE 7 Ca 0.01 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.35 1a6a s ILE 7 Cb -0.12 -2.76 0.02 0.00 0.01 0.00 0.00 42.46 39.60 1a6a s ILE 7 CO -0.03 0.48 -0.09 -0.51 0.00 0.00 0.00 174.94 174.79 1a6a s ILE 8 N 0.46 0.91 -0.37 2.92 -1.16 0.12 -4.96 121.20 119.12 1a6a s ILE 8 Ca -0.03 -0.34 -0.13 0.00 -0.51 0.00 0.00 60.65 59.65 1a6a s ILE 8 Cb -0.14 -0.87 0.00 0.00 0.61 0.00 0.00 42.46 42.06 1a6a s ILE 8 CO 0.02 0.31 0.25 -1.58 -2.81 0.00 0.00 174.94 171.14 1a6a s GLN 9 N 0.84 3.22 -0.01 3.50 0.74 -1.26 0.44 119.66 127.14 1a6a s GLN 9 Ca -0.12 -0.83 0.04 0.00 0.05 0.00 0.00 55.36 54.51 1a6a s GLN 9 Cb -0.15 -3.85 -0.03 0.00 1.10 0.00 0.00 33.01 30.08 1a6a s GLN 9 CO 0.02 -0.58 -0.13 0.00 -0.55 0.00 0.00 175.29 174.04 1a6a s ALA 10 N 1.68 2.73 -0.11 1.58 0.00 0.91 -4.98 121.76 123.58 1a6a s ALA 10 Ca 0.05 -1.04 -0.25 0.00 0.00 0.00 0.00 51.96 50.72 1a6a s ALA 10 Cb -0.18 -0.95 0.06 0.00 0.00 0.00 0.00 23.12 22.05 1a6a s ALA 10 CO 0.10 0.57 0.59 -1.83 0.00 0.00 0.00 175.76 175.19 1a6a s GLU 11 N -1.08 0.87 0.14 0.00 -1.05 -1.25 -0.46 118.70 115.86 1a6a s GLU 11 Ca 0.14 0.40 -0.16 0.00 -0.15 0.00 0.00 54.97 55.20 1a6a s GLU 11 Cb -0.11 0.41 0.03 0.00 -0.44 0.00 0.00 34.13 34.02 1a6a s GLU 11 CO 0.03 -0.22 0.41 -0.59 0.95 0.00 0.00 175.26 175.85 1a6a s PHE 12 N -0.67 -0.14 -0.09 4.83 -0.12 -0.09 -4.96 117.98 116.73 1a6a s PHE 12 Ca -0.07 -0.19 -0.03 0.00 -0.05 0.00 0.00 56.93 56.59 1a6a s PHE 12 Cb -0.02 0.25 0.04 0.00 -0.63 0.00 0.00 43.02 42.66 1a6a s PHE 12 CO 0.06 -0.74 0.06 -0.47 -0.05 0.00 0.00 175.22 174.08 1a6a s TYR 13 N -3.83 0.23 -0.53 3.49 6.14 -1.26 -0.06 117.35 121.54 1a6a s TYR 13 Ca 0.05 -0.02 -0.21 0.00 0.64 0.00 0.00 57.07 57.52 1a6a s TYR 13 Cb 0.02 -0.61 0.05 0.00 0.42 0.00 0.00 41.96 41.83 1a6a s TYR 13 CO -0.10 -0.32 0.76 -1.17 0.64 0.00 0.00 175.55 175.36 1a6a s LEU 14 N 2.12 4.60 0.23 6.97 2.96 0.20 -4.94 118.68 130.82 1a6a s LEU 14 Ca 0.04 -0.68 -0.12 0.00 -0.22 0.00 0.00 54.13 53.15 1a6a s LEU 14 Cb -0.13 -2.60 0.31 0.00 0.50 0.00 0.00 46.19 44.26 1a6a s LEU 14 CO -0.05 -1.03 1.60 -1.13 -1.32 0.00 0.00 176.35 174.41 1a6a h ASN 15 N 9.13 -0.77 0.33 3.68 -0.00 -1.96 0.15 115.58 126.14 1a6a h ASN 15 Ca -0.27 0.23 -0.02 0.00 -0.00 0.00 0.00 56.30 56.25 1a6a h ASN 15 Cb 1.09 0.49 0.00 0.00 -0.00 0.00 0.00 38.32 39.90 1a6a h ASN 15 CO 1.02 -0.26 -0.16 -0.65 -0.00 0.00 0.00 177.43 177.38 1a6a h PRO 16 N -0.01 -0.42 0.00 6.67 0.11 -1.97 -3.17 132.00 133.22 1a6a h PRO 16 Ca 0.36 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.50 1a6a h PRO 16 Cb 0.57 0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1a6a h PRO 16 CO -0.80 -0.16 0.00 -0.25 -0.21 0.00 0.00 178.00 176.58 1a6a n ASP 17 N -5.19 0.00 -2.46 -2.05 9.92 -1.14 -4.89 116.55 110.73 1a6a n ASP 17 Ca -0.10 0.11 -0.14 0.00 -0.53 0.00 0.00 54.79 54.13 1a6a n ASP 17 Cb 0.25 -0.36 -0.01 0.00 -0.64 0.00 0.00 41.12 40.36 1a6a n ASP 17 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a6a n GLN 18 N -1.36 -2.21 -3.54 -1.24 6.02 0.51 -4.95 117.38 110.62 1a6a n GLN 18 Ca 0.10 0.66 -0.33 0.00 -0.01 0.00 0.00 57.00 57.42 1a6a n GLN 18 Cb 0.24 -5.27 -0.05 0.00 1.02 0.00 0.00 30.24 26.18 1a6a n GLN 18 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1a6a s SER 19 N -2.06 6.61 0.29 1.08 1.04 -1.08 -4.90 113.70 114.67 1a6a s SER 19 Ca 0.01 0.79 0.02 0.00 0.48 0.00 0.00 55.95 57.25 1a6a s SER 19 Cb -0.01 -2.18 -0.03 0.00 0.10 0.00 0.00 66.02 63.91 1a6a s SER 19 CO 0.02 0.05 0.28 -0.83 0.98 0.00 0.00 173.24 173.74 1a6a s GLY 20 N -2.15 1.80 -0.28 7.32 0.00 -1.26 0.59 107.32 113.34 1a6a s GLY 20 Ca 0.40 -1.79 -0.24 0.00 0.00 0.00 0.00 44.72 43.09 1a6a s GLY 20 CO 0.21 -1.32 0.84 1.85 0.00 0.00 0.00 173.10 174.69 1a6a s GLU 21 N -3.64 0.69 -0.05 2.90 2.12 0.91 -4.93 118.70 116.70 1a6a s GLU 21 Ca 0.37 0.86 0.03 0.00 0.36 0.00 0.00 54.97 56.59 1a6a s GLU 21 Cb 0.03 0.32 0.00 0.00 0.26 0.00 0.00 34.13 34.74 1a6a s GLU 21 CO 0.20 -0.09 -0.15 0.12 -0.54 0.00 0.00 175.26 174.81 1a6a s PHE 22 N 0.45 1.57 0.05 5.30 2.19 -1.26 -0.92 117.98 125.36 1a6a s PHE 22 Ca 0.00 -0.50 -0.27 0.00 0.33 0.00 0.00 56.93 56.49 1a6a s PHE 22 Cb -0.05 -1.09 0.09 0.00 -1.31 0.00 0.00 43.02 40.65 1a6a s PHE 22 CO -0.04 -0.21 0.76 0.00 1.83 0.00 0.00 175.22 177.57 1a6a s MET 23 N 0.29 1.01 0.07 10.12 0.23 0.39 -2.45 119.30 128.95 1a6a s MET 23 Ca -0.08 -0.30 0.09 0.00 -1.03 0.00 0.00 55.69 54.37 1a6a s MET 23 Cb -0.13 0.47 -0.03 0.00 -1.53 0.00 0.00 34.83 33.60 1a6a s MET 23 CO 0.03 -0.43 -0.24 -0.06 -2.03 0.00 0.00 175.02 172.29 1a6a s PHE 24 N -3.11 2.40 0.00 3.16 0.40 -1.14 -0.06 117.98 119.63 1a6a s PHE 24 Ca 0.02 -0.36 0.01 0.00 -0.60 0.00 0.00 56.93 56.00 1a6a s PHE 24 Cb -0.01 -1.38 -0.00 0.00 0.51 0.00 0.00 43.02 42.14 1a6a s PHE 24 CO -0.09 0.22 -0.04 0.34 0.70 0.00 0.00 175.22 176.35 1a6a s ASP 25 N -1.52 0.47 -0.11 1.36 -1.08 0.17 -1.03 116.67 114.94 1a6a s ASP 25 Ca 0.13 -0.11 -0.01 0.00 -0.52 0.00 0.00 52.55 52.05 1a6a s ASP 25 Cb -0.10 -0.04 0.03 0.00 -1.46 0.00 0.00 42.92 41.34 1a6a s ASP 25 CO 0.04 0.03 -0.06 0.12 0.52 0.00 0.00 175.17 175.82 1a6a s PHE 26 N -0.20 1.35 -1.54 -5.34 5.36 0.17 0.13 117.98 117.90 1a6a s PHE 26 Ca 0.00 -0.67 -0.18 0.00 -0.96 0.00 0.00 56.93 55.13 1a6a s PHE 26 Cb -0.02 -1.16 0.17 0.00 -0.34 0.00 0.00 43.02 41.67 1a6a s PHE 26 CO -0.00 -0.49 0.58 -0.25 -1.46 0.00 0.00 175.22 173.59 1a6a n ASP 27 N 4.98 -2.45 0.00 6.13 8.00 -0.75 0.53 116.55 132.99 1a6a n ASP 27 Ca -0.11 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.52 1a6a n ASP 27 Cb 0.50 -2.08 0.00 0.00 -0.02 0.00 0.00 41.12 39.52 1a6a n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a6a n GLY 28 N -1.11 0.71 3.03 0.44 0.00 -1.26 -5.05 105.19 101.95 1a6a n GLY 28 Ca 0.08 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 1a6a n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a6a s ASP 29 N -2.16 1.82 0.12 1.61 1.01 0.19 -5.08 116.67 114.18 1a6a s ASP 29 Ca 0.00 -0.31 -0.31 0.00 0.71 0.00 0.00 52.55 52.64 1a6a s ASP 29 Cb 0.00 -0.85 -0.09 0.00 1.01 0.00 0.00 42.92 42.99 1a6a s ASP 29 CO 0.00 0.04 1.55 -0.70 0.21 0.00 0.00 175.17 176.27 1a6a s GLU 30 N 0.66 4.23 -0.08 8.23 2.12 -1.26 0.41 118.70 133.01 1a6a s GLU 30 Ca -0.15 2.28 -0.16 0.00 0.36 0.00 0.00 54.97 57.31 1a6a s GLU 30 Cb -0.16 -3.30 -0.29 0.00 0.26 0.00 0.00 34.13 30.64 1a6a s GLU 30 CO 0.04 -0.61 0.65 0.82 -0.54 0.00 0.00 175.26 175.62 1a6a h ILE 31 N 4.30 1.11 -2.04 -3.70 2.04 -1.43 -3.41 117.51 114.38 1a6a h ILE 31 Ca -0.42 -2.45 0.15 0.00 1.00 0.00 0.00 64.86 63.13 1a6a h ILE 31 Cb 1.20 2.82 -0.03 0.00 -0.74 0.00 0.00 36.82 40.08 1a6a h ILE 31 CO 0.91 0.73 0.45 2.22 0.00 0.00 0.00 178.15 182.47 1a6a n PHE 32 N -3.90 -0.77 -3.66 1.37 1.16 -1.24 -1.59 117.46 108.83 1a6a n PHE 32 Ca -0.23 -0.67 -0.14 0.00 -1.87 0.00 0.00 57.45 54.54 1a6a n PHE 32 Cb 0.92 0.32 -0.08 0.00 -1.61 0.00 0.00 39.48 39.04 1a6a n PHE 32 CO 0.00 0.00 0.00 -3.38 -1.87 0.00 0.00 176.76 171.51 1a6a s HIS 33 N -3.09 -0.69 -0.11 2.97 -3.43 -0.96 -2.88 115.29 107.10 1a6a s HIS 33 Ca 0.16 1.67 -0.24 0.00 -0.80 0.00 0.00 55.06 55.85 1a6a s HIS 33 Cb -0.01 0.24 -0.03 0.00 -1.43 0.00 0.00 32.58 31.35 1a6a s HIS 33 CO 0.02 -0.34 0.76 0.08 -2.00 0.00 0.00 174.74 173.26 1a6a s VAL 34 N 0.28 4.97 -0.64 -5.38 1.01 -1.03 0.63 120.40 120.25 1a6a s VAL 34 Ca -0.00 1.53 -0.26 0.00 0.00 0.00 0.00 61.98 63.25 1a6a s VAL 34 Cb -0.04 -4.09 0.04 0.00 0.00 0.00 0.00 36.38 32.29 1a6a s VAL 34 CO 0.01 0.16 1.14 -0.62 0.00 0.00 0.00 175.10 175.79 1a6a s ASP 35 N 0.97 6.29 0.16 3.32 -1.08 -0.11 -4.62 116.67 121.60 1a6a s ASP 35 Ca 0.38 -0.33 -0.25 0.00 -0.52 0.00 0.00 52.55 51.83 1a6a s ASP 35 Cb -0.17 -2.51 0.02 0.00 -1.46 0.00 0.00 42.92 38.80 1a6a s ASP 35 CO 0.16 -1.55 1.59 0.24 0.52 0.00 0.00 175.17 176.13 1a6a h MET 36 N 9.67 -0.30 -0.61 4.34 2.86 -1.94 0.53 114.93 129.47 1a6a h MET 36 Ca -0.27 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.49 1a6a h MET 36 Cb 1.06 0.07 -0.07 0.00 0.06 0.00 0.00 31.60 32.71 1a6a h MET 36 CO 1.20 -0.20 0.23 0.00 1.06 0.00 0.00 176.91 179.20 1a6a h ALA 37 N 0.57 0.79 -0.03 6.32 0.00 -1.97 -2.70 119.26 122.24 1a6a h ALA 37 Ca 0.15 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1a6a h ALA 37 Cb 0.56 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1a6a h ALA 37 CO -0.53 -0.19 -0.03 1.63 0.00 0.00 0.00 179.25 180.13 1a6a n LYS 38 N -5.00 2.21 -1.93 0.00 5.02 -1.02 -4.96 118.16 112.47 1a6a n LYS 38 Ca 0.09 -1.79 -0.16 0.00 -2.02 0.00 0.00 58.31 54.43 1a6a n LYS 38 Cb 0.28 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.79 1a6a n LYS 38 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1a6a n LYS 39 N 1.17 -1.68 -4.90 1.97 4.01 0.18 -4.94 118.16 113.97 1a6a n LYS 39 Ca 0.14 0.84 -0.33 0.00 -0.51 0.00 0.00 58.31 58.45 1a6a n LYS 39 Cb 0.57 -5.29 -0.14 0.00 -0.51 0.00 0.00 35.03 29.66 1a6a n LYS 39 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1a6a s GLU 40 N -4.17 2.67 0.02 1.97 2.02 -1.16 -4.33 118.70 115.73 1a6a s GLU 40 Ca 0.00 -0.71 -0.30 0.00 0.02 0.00 0.00 54.97 53.98 1a6a s GLU 40 Cb 0.00 -2.41 -0.07 0.00 0.10 0.00 0.00 34.13 31.75 1a6a s GLU 40 CO 0.00 0.53 1.59 0.99 0.02 0.00 0.00 175.26 178.39 1a6a s THR 41 N -0.48 3.33 -0.73 3.63 2.01 -1.26 -0.93 115.64 121.21 1a6a s THR 41 Ca 0.06 0.69 -0.08 0.00 0.31 0.00 0.00 61.69 62.67 1a6a s THR 41 Cb -0.12 -3.44 0.19 0.00 0.01 0.00 0.00 72.50 69.14 1a6a s THR 41 CO 0.02 -0.02 0.60 -0.69 -0.69 0.00 0.00 174.62 173.84 1a6a s VAL 42 N 2.90 4.56 0.54 3.82 1.01 0.20 -4.92 120.40 128.52 1a6a s VAL 42 Ca 0.71 -2.81 -0.22 0.00 0.00 0.00 0.00 61.98 59.66 1a6a s VAL 42 Cb -0.36 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 1a6a s VAL 42 CO 0.30 -0.95 1.35 0.79 0.00 0.00 0.00 175.10 176.59 1a6a n TRP 43 N 3.62 2.28 -0.01 5.22 7.02 -1.26 -2.28 117.44 132.03 1a6a n TRP 43 Ca 0.11 0.43 -0.12 0.00 -1.02 0.00 0.00 57.50 56.90 1a6a n TRP 43 Cb 0.42 -2.36 -0.07 0.00 -2.42 0.00 0.00 31.31 26.87 1a6a n TRP 43 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 1a6a h ARG 44 N 1.45 0.10 -5.29 -0.99 9.65 -1.52 -3.41 114.38 114.36 1a6a h ARG 44 Ca -0.51 -0.03 -0.66 0.00 -1.10 0.00 0.00 59.98 57.69 1a6a h ARG 44 Cb 1.30 -0.01 -0.27 0.00 -1.39 0.00 0.00 29.97 29.60 1a6a h ARG 44 CO 0.57 0.33 -0.77 -0.51 2.80 0.00 0.00 179.97 182.40 1a6a s LEU 45 N -9.65 2.69 0.31 3.80 1.43 -1.26 -5.03 118.68 110.97 1a6a s LEU 45 Ca -0.14 -0.35 0.06 0.00 -1.03 0.00 0.00 54.13 52.67 1a6a s LEU 45 Cb 0.05 -1.61 0.73 0.00 0.03 0.00 0.00 46.19 45.39 1a6a s LEU 45 CO 0.69 0.15 1.81 -0.08 0.23 0.00 0.00 176.35 179.14 1a6a h GLU 46 N 6.81 0.76 -0.07 1.70 4.81 -1.98 0.11 114.58 126.72 1a6a h GLU 46 Ca -0.27 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.94 1a6a h GLU 46 Cb 1.21 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 1a6a h GLU 46 CO 0.56 0.51 0.22 0.93 -0.73 0.00 0.00 179.01 180.49 1a6a h GLU 47 N 0.79 0.00 -0.38 1.92 3.07 -1.98 -1.72 114.58 116.28 1a6a h GLU 47 Ca 0.54 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.29 1a6a h GLU 47 Cb 0.81 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.71 1a6a h GLU 47 CO -0.32 0.00 -0.18 0.74 -1.40 0.00 0.00 179.01 177.85 1a6a h PHE 48 N 0.00 0.91 -0.63 4.33 0.04 -1.36 -2.86 116.94 117.37 1a6a h PHE 48 Ca 0.04 -0.23 0.06 0.00 2.80 0.00 0.00 57.97 60.64 1a6a h PHE 48 Cb 0.48 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.38 1a6a h PHE 48 CO 0.00 0.97 0.42 0.78 -0.60 0.00 0.00 178.31 179.88 1a6a h GLY 49 N 0.59 0.78 2.00 -1.45 0.00 -1.44 -1.36 103.07 102.19 1a6a h GLY 49 Ca 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1a6a h GLY 49 CO 0.06 0.19 -0.08 3.21 0.00 0.00 0.00 176.54 179.91 1a6a h ARG 50 N 0.62 0.00 0.00 4.80 -0.00 -1.57 -3.23 114.38 115.00 1a6a h ARG 50 Ca 0.27 0.00 -0.14 0.00 -0.50 0.00 0.00 59.98 59.61 1a6a h ARG 50 Cb 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.22 1a6a h ARG 50 CO -0.08 0.08 -1.92 1.19 0.00 0.00 0.00 179.97 179.24 1a6a n PHE 51 N -3.24 0.00 -4.12 3.04 3.01 -0.60 -5.05 117.46 110.50 1a6a n PHE 51 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.35 1a6a n PHE 51 Cb 0.33 -0.58 -0.08 0.00 -0.01 0.00 0.00 39.48 39.15 1a6a n PHE 51 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1a6a s ALA 52 N -2.77 0.64 0.01 4.37 0.00 -0.70 -5.14 121.76 118.17 1a6a s ALA 52 Ca -0.07 -1.39 -0.03 0.00 0.00 0.00 0.00 51.96 50.47 1a6a s ALA 52 Cb 0.08 1.25 -0.01 0.00 0.00 0.00 0.00 23.12 24.44 1a6a s ALA 52 CO 0.67 -0.71 0.04 -1.54 0.00 0.00 0.00 175.76 174.22 1a6a s SER 53 N -3.12 0.15 -0.00 0.00 1.04 -1.26 -4.38 113.70 106.13 1a6a s SER 53 Ca 0.32 -0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.37 1a6a s SER 53 Cb 0.03 0.15 -0.00 0.00 0.10 0.00 0.00 66.02 66.30 1a6a s SER 53 CO 0.12 -0.34 -0.03 0.12 0.98 0.00 0.00 173.24 174.10 1a6a s PHE 54 N -1.50 0.23 -0.82 5.02 5.36 -1.26 -5.11 117.98 119.89 1a6a s PHE 54 Ca -0.15 -0.07 -0.22 0.00 -0.96 0.00 0.00 56.93 55.53 1a6a s PHE 54 Cb -0.09 -0.15 0.08 0.00 -0.34 0.00 0.00 43.02 42.53 1a6a s PHE 54 CO -0.00 -0.01 1.15 -2.00 -1.46 0.00 0.00 175.22 172.90 1a6a s GLU 55 N -0.14 3.36 0.41 10.12 2.12 -1.26 -4.79 118.70 128.52 1a6a s GLU 55 Ca 0.00 -1.09 0.17 0.00 0.36 0.00 0.00 54.97 54.41 1a6a s GLU 55 Cb -0.01 -4.65 1.07 0.00 0.26 0.00 0.00 34.13 30.80 1a6a s GLU 55 CO -0.00 -1.93 1.83 0.00 -0.54 0.00 0.00 175.26 174.63 1a6a h ALA 56 N 9.45 2.19 -0.05 6.30 0.00 -1.95 -2.02 119.26 133.18 1a6a h ALA 56 Ca -0.06 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1a6a h ALA 56 Cb 1.04 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1a6a h ALA 56 CO 1.22 -0.50 0.04 1.96 0.00 0.00 0.00 179.25 181.97 1a6a h GLN 57 N 0.43 0.00 -0.04 0.00 1.08 -1.91 -1.51 115.11 113.14 1a6a h GLN 57 Ca 0.50 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.61 1a6a h GLN 57 Cb 1.22 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.64 1a6a h GLN 57 CO -0.21 0.00 -0.39 0.78 -0.95 0.00 0.00 178.83 178.07 1a6a h GLY 58 N 0.00 0.10 0.86 3.46 0.00 -1.78 -2.88 103.07 102.84 1a6a h GLY 58 Ca 0.02 -0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.28 1a6a h GLY 58 CO -0.00 0.08 0.08 0.00 0.00 0.00 0.00 176.54 176.70 1a6a h ALA 59 N 1.53 0.24 0.00 3.60 0.00 -1.41 -0.59 119.26 122.62 1a6a h ALA 59 Ca 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1a6a h ALA 59 Cb 0.72 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1a6a h ALA 59 CO 0.05 -0.34 -0.11 -0.07 0.00 0.00 0.00 179.25 178.78 1a6a h LEU 60 N 0.19 0.00 0.17 0.00 4.07 -1.58 -1.32 115.31 116.85 1a6a h LEU 60 Ca 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 1a6a h LEU 60 Cb 0.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.79 1a6a h LEU 60 CO -0.08 0.11 -0.08 0.00 -1.08 0.00 0.00 178.44 177.31 1a6a h ALA 61 N 1.89 -0.23 -0.11 1.53 0.00 -1.02 -3.19 119.26 118.12 1a6a h ALA 61 Ca -0.00 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1a6a h ALA 61 Cb 0.37 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1a6a h ALA 61 CO 0.01 -0.38 -0.14 -0.91 0.00 0.00 0.00 179.25 177.83 1a6a h ASN 62 N -0.72 -0.42 -0.79 0.00 4.21 -0.55 -1.74 115.58 115.57 1a6a h ASN 62 Ca -0.02 0.08 0.23 0.00 1.21 0.00 0.00 56.30 57.79 1a6a h ASN 62 Cb 0.51 0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 37.88 1a6a h ASN 62 CO 0.04 -0.18 0.60 0.40 -1.29 0.00 0.00 177.43 176.99 1a6a h ILE 63 N -0.17 0.54 -0.49 2.81 1.08 -1.37 0.55 117.51 120.45 1a6a h ILE 63 Ca 0.09 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.50 1a6a h ILE 63 Cb 0.30 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 34.60 1a6a h ILE 63 CO -0.22 0.00 0.10 0.00 -0.69 0.00 0.00 178.15 177.35 1a6a h ALA 64 N 1.55 0.65 -0.31 1.87 0.00 -1.29 0.97 119.26 122.70 1a6a h ALA 64 Ca 0.38 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1a6a h ALA 64 Cb 1.57 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1a6a h ALA 64 CO -0.00 0.36 0.09 0.28 0.00 0.00 0.00 179.25 179.98 1a6a h VAL 65 N 0.68 1.21 0.38 0.00 2.07 0.07 -2.62 116.25 118.04 1a6a h VAL 65 Ca 0.15 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1a6a h VAL 65 Cb 0.36 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1a6a h VAL 65 CO 0.00 0.23 -0.38 0.44 0.02 0.00 0.00 177.57 177.88 1a6a h ASP 66 N 0.35 -1.03 -0.93 0.57 3.32 -0.72 0.14 116.42 118.11 1a6a h ASP 66 Ca 0.10 0.09 0.25 0.00 0.02 0.00 0.00 57.03 57.49 1a6a h ASP 66 Cb 0.26 0.35 -0.14 0.00 0.22 0.00 0.00 39.33 40.02 1a6a h ASP 66 CO -0.00 -0.53 0.41 0.50 -1.72 0.00 0.00 179.24 177.90 1a6a h LYS 67 N -0.79 0.33 0.55 3.56 3.64 -0.83 0.31 116.57 123.34 1a6a h LYS 67 Ca -0.03 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1a6a h LYS 67 Cb 0.70 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1a6a h LYS 67 CO -0.06 0.22 -0.26 0.00 -2.27 0.00 0.00 179.45 177.07 1a6a h ALA 68 N 1.77 -0.99 -0.37 5.00 0.00 -0.86 -0.88 119.26 122.94 1a6a h ALA 68 Ca 0.61 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.47 1a6a h ALA 68 Cb 1.25 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1a6a h ALA 68 CO -0.58 -0.93 0.47 -0.91 0.00 0.00 0.00 179.25 177.30 1a6a h ASN 69 N -0.89 0.00 0.26 0.00 2.35 0.26 -0.35 115.58 117.21 1a6a h ASN 69 Ca -0.08 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1a6a h ASN 69 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1a6a h ASN 69 CO 0.12 0.00 -0.12 0.25 -1.65 0.00 0.00 177.43 176.03 1a6a h LEU 70 N 0.00 -0.29 -1.50 1.61 5.85 -0.07 -1.96 115.31 118.94 1a6a h LEU 70 Ca 0.17 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.74 1a6a h LEU 70 Cb 1.12 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 1a6a h LEU 70 CO -0.00 0.20 0.40 -0.33 -0.34 0.00 0.00 178.44 178.37 1a6a h GLU 71 N -0.94 0.59 0.10 1.25 5.08 0.32 0.48 114.58 121.47 1a6a h GLU 71 Ca -0.04 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1a6a h GLU 71 Cb 0.49 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1a6a h GLU 71 CO 0.06 0.39 -0.05 0.82 -1.00 0.00 0.00 179.01 179.23 1a6a h ILE 72 N 0.61 0.00 -0.84 3.13 2.04 -1.21 -3.13 117.51 118.12 1a6a h ILE 72 Ca 0.26 -0.03 0.17 0.00 1.00 0.00 0.00 64.86 66.27 1a6a h ILE 72 Cb 0.25 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.22 1a6a h ILE 72 CO -0.08 0.00 0.37 0.24 0.00 0.00 0.00 178.15 178.68 1a6a h MET 73 N -0.17 0.46 -0.96 2.37 2.86 -1.19 0.21 114.93 118.52 1a6a h MET 73 Ca -0.01 -0.03 0.20 0.00 -2.06 0.00 0.00 59.70 57.80 1a6a h MET 73 Cb 0.11 -0.10 -0.11 0.00 0.06 0.00 0.00 31.60 31.55 1a6a h MET 73 CO 0.02 0.30 0.54 1.15 1.06 0.00 0.00 176.91 179.99 1a6a h THR 74 N 0.47 0.63 0.02 2.22 2.02 -0.98 0.29 112.91 117.58 1a6a h THR 74 Ca 0.49 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.42 1a6a h THR 74 Cb 0.81 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1a6a h THR 74 CO -0.45 0.12 -0.11 0.11 0.37 0.00 0.00 175.52 175.56 1a6a h LYS 75 N 0.63 0.04 0.00 6.66 6.56 -0.79 0.20 116.57 129.88 1a6a h LYS 75 Ca 0.57 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 60.09 1a6a h LYS 75 Cb 0.96 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.65 1a6a h LYS 75 CO -0.43 1.00 0.09 -0.09 -2.06 0.00 0.00 179.45 177.96 1a6a h ARG 76 N -0.87 0.00 -0.25 3.15 2.43 0.44 0.33 114.38 119.61 1a6a h ARG 76 Ca -0.02 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 1a6a h ARG 76 Cb 1.05 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.54 1a6a h ARG 76 CO 0.02 0.00 -0.09 -1.13 -1.51 0.00 0.00 179.97 177.26 1a6a n SER 77 N -2.25 2.72 -4.20 -3.80 3.41 0.93 -4.98 113.62 105.46 1a6a n SER 77 Ca -0.01 -3.53 -0.31 0.00 -0.26 0.00 0.00 58.87 54.76 1a6a n SER 77 Cb 0.12 -0.58 -0.06 0.00 -0.26 0.00 0.00 64.21 63.44 1a6a n SER 77 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1a6a n ASN 78 N -1.01 -0.49 -3.88 4.04 5.15 0.12 -2.69 115.26 116.49 1a6a n ASN 78 Ca 0.27 -1.14 -0.28 0.00 -0.60 0.00 0.00 54.58 52.84 1a6a n ASN 78 Cb 0.92 -2.30 0.02 0.00 -0.53 0.00 0.00 39.78 37.89 1a6a n ASN 78 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1a6a n TYR 79 N -4.43 -2.09 -2.61 1.20 4.02 0.70 -4.95 117.16 109.00 1a6a n TYR 79 Ca -0.21 0.86 -0.42 0.00 -0.01 0.00 0.00 57.90 58.13 1a6a n TYR 79 Cb 0.63 -4.00 -0.03 0.00 -0.02 0.00 0.00 39.34 35.93 1a6a n TYR 79 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1a6a s THR 80 N -3.47 4.59 0.56 -0.72 2.01 -1.09 -5.02 115.64 112.50 1a6a s THR 80 Ca 0.42 1.86 -0.14 0.00 0.31 0.00 0.00 61.69 64.14 1a6a s THR 80 Cb -0.21 -4.20 -0.06 0.00 0.01 0.00 0.00 72.50 68.04 1a6a s THR 80 CO 0.84 0.10 1.01 -2.16 -0.69 0.00 0.00 174.62 173.72 1a6a s PRO 81 N 1.35 3.75 0.33 4.92 0.04 -1.26 -5.04 135.00 139.10 1a6a s PRO 81 Ca 0.53 0.90 -0.25 0.00 0.04 0.00 0.00 61.00 62.22 1a6a s PRO 81 Cb -0.23 -2.10 -0.10 0.00 0.04 0.00 0.00 34.50 32.11 1a6a s PRO 81 CO 0.26 -0.44 0.93 -1.50 0.04 0.00 0.00 177.00 176.29 1a6a s ILE 82 N -2.82 4.26 -0.37 0.56 2.07 -1.26 -5.01 121.20 118.63 1a6a s ILE 82 Ca 0.58 1.74 -0.28 0.00 -1.41 0.00 0.00 60.65 61.28 1a6a s ILE 82 Cb -0.11 -3.94 0.02 0.00 0.13 0.00 0.00 42.46 38.56 1a6a s ILE 82 CO 0.40 0.08 1.07 0.42 -1.91 0.00 0.00 174.94 175.00 1a6a s THR 83 N -1.69 4.43 -0.14 4.00 -4.23 -1.26 -4.98 115.64 111.78 1a6a s THR 83 Ca 0.51 1.49 -0.29 0.00 -1.18 0.00 0.00 61.69 62.22 1a6a s THR 83 Cb -0.17 -4.46 -0.05 0.00 1.34 0.00 0.00 72.50 69.16 1a6a s THR 83 CO 0.22 -0.65 1.93 0.20 -0.54 0.00 0.00 174.62 175.79 1a6a s ASN 84 N 1.93 6.08 -0.36 3.99 0.02 -1.26 -4.73 114.94 120.62 1a6a s ASN 84 Ca 0.45 2.05 -0.13 0.00 -1.02 0.00 0.00 52.86 54.21 1a6a s ASN 84 Cb -0.11 -2.52 -0.00 0.00 0.02 0.00 0.00 41.25 38.64 1a6a s ASN 84 CO 0.21 -1.43 0.24 -0.69 0.02 0.00 0.00 177.10 175.45 1a6a s VAL 85 N 6.02 5.15 0.54 1.60 1.01 0.06 -4.80 120.40 129.98 1a6a s VAL 85 Ca 0.87 -0.40 -0.21 0.00 0.00 0.00 0.00 61.98 62.23 1a6a s VAL 85 Cb -0.33 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 1a6a s VAL 85 CO 0.35 -0.10 1.21 -2.65 0.00 0.00 0.00 175.10 173.92 1a6a n PRO 86 N 5.10 1.45 -2.34 2.72 -0.02 -1.26 -2.52 135.00 138.13 1a6a n PRO 86 Ca -0.12 0.54 -0.31 0.00 -2.02 0.00 0.00 63.50 61.58 1a6a n PRO 86 Cb 0.49 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 1a6a n PRO 86 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1a6a s PRO 87 N -2.72 3.83 -0.88 0.52 0.04 -1.26 -4.48 135.00 130.05 1a6a s PRO 87 Ca 0.71 0.82 -0.03 0.00 0.04 0.00 0.00 61.00 62.55 1a6a s PRO 87 Cb -0.44 -2.16 0.22 0.00 0.04 0.00 0.00 34.50 32.16 1a6a s PRO 87 CO 0.50 -0.31 0.77 -1.21 0.04 0.00 0.00 177.00 176.79 1a6a s GLU 88 N -4.32 3.28 0.65 4.56 2.02 -0.27 -4.87 118.70 119.75 1a6a s GLU 88 Ca 0.57 -3.19 -0.18 0.00 0.02 0.00 0.00 54.97 52.19 1a6a s GLU 88 Cb -0.10 -3.99 -0.01 0.00 0.10 0.00 0.00 34.13 30.13 1a6a s GLU 88 CO 0.37 -1.25 1.28 0.08 0.02 0.00 0.00 175.26 175.75 1a6a s VAL 89 N -1.19 2.11 -0.30 2.63 1.01 -1.26 -3.18 120.40 120.22 1a6a s VAL 89 Ca 0.26 0.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.22 1a6a s VAL 89 Cb -0.09 -2.99 0.16 0.00 0.00 0.00 0.00 36.38 33.45 1a6a s VAL 89 CO -0.11 -0.02 0.75 -0.89 0.00 0.00 0.00 175.10 174.83 1a6a s THR 90 N -1.46 -0.84 -0.24 3.92 2.01 -0.38 -4.96 115.64 113.68 1a6a s THR 90 Ca 0.82 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.71 1a6a s THR 90 Cb -0.36 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.10 1a6a s THR 90 CO 0.39 0.00 0.17 -0.69 -0.69 0.00 0.00 174.62 173.81 1a6a s VAL 91 N 2.79 5.35 0.00 3.82 1.01 -1.26 -0.46 120.40 131.65 1a6a s VAL 91 Ca 0.02 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1a6a s VAL 91 Cb -0.11 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1a6a s VAL 91 CO -0.19 0.33 0.00 0.00 0.00 0.00 0.00 175.10 175.25 1a6a n LEU 92 N 4.38 0.00 -4.16 3.92 -0.00 0.41 -4.98 117.00 116.58 1a6a n LEU 92 Ca -0.15 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.65 1a6a n LEU 92 Cb 0.52 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.80 1a6a n LEU 92 CO 0.35 0.00 -0.48 0.42 -0.00 0.00 0.00 177.39 177.68 1a6a s THR 93 N -1.53 1.23 0.36 1.47 -4.23 -1.26 -1.57 115.64 110.10 1a6a s THR 93 Ca 0.00 -0.99 0.13 0.00 -1.18 0.00 0.00 61.69 59.65 1a6a s THR 93 Cb 0.00 -1.09 0.35 0.00 1.34 0.00 0.00 72.50 73.10 1a6a s THR 93 CO 0.00 0.08 1.76 -1.13 -0.54 0.00 0.00 174.62 174.80 1a6a h ASN 94 N 5.02 0.59 -5.06 3.99 -0.73 -1.06 -3.45 115.58 114.88 1a6a h ASN 94 Ca -0.39 0.10 0.06 0.00 1.87 0.00 0.00 56.30 57.94 1a6a h ASN 94 Cb 1.17 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.73 1a6a h ASN 94 CO 0.44 0.14 0.29 -0.94 -0.37 0.00 0.00 177.43 176.99 1a6a s SER 95 N -5.30 -0.15 0.40 1.15 1.04 -1.26 -5.02 113.70 104.56 1a6a s SER 95 Ca -0.10 -0.77 -0.26 0.00 0.48 0.00 0.00 55.95 55.30 1a6a s SER 95 Cb 0.26 0.73 -0.10 0.00 0.10 0.00 0.00 66.02 67.01 1a6a s SER 95 CO 0.80 -1.40 1.21 -0.81 0.98 0.00 0.00 173.24 174.02 1a6a n PRO 96 N -0.50 1.82 -2.64 4.02 -0.04 -1.26 -4.90 135.00 131.50 1a6a n PRO 96 Ca -0.06 0.65 -0.42 0.00 -0.04 0.00 0.00 63.50 63.63 1a6a n PRO 96 Cb 0.59 -2.29 -0.03 0.00 -0.04 0.00 0.00 33.50 31.74 1a6a n PRO 96 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1a6a s VAL 97 N -1.19 4.63 -0.03 0.52 1.01 -1.26 -5.02 120.40 119.05 1a6a s VAL 97 Ca 0.60 1.92 -0.01 0.00 0.00 0.00 0.00 61.98 64.50 1a6a s VAL 97 Cb -0.53 -4.23 0.03 0.00 0.00 0.00 0.00 36.38 31.65 1a6a s VAL 97 CO 0.58 0.17 0.06 -0.70 0.00 0.00 0.00 175.10 175.21 1a6a s GLU 98 N 0.90 -0.02 0.55 2.72 2.56 -1.26 -5.07 118.70 119.07 1a6a s GLU 98 Ca 0.53 0.25 0.32 0.00 0.00 0.00 0.00 54.97 56.08 1a6a s GLU 98 Cb -0.23 -0.27 1.48 0.00 2.00 0.00 0.00 34.13 37.11 1a6a s GLU 98 CO 0.29 -0.19 1.84 -0.07 -0.56 0.00 0.00 175.26 176.57 1a6a h LEU 99 N 7.46 0.00 0.00 2.70 3.38 -1.95 -3.21 115.31 123.69 1a6a h LEU 99 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1a6a h LEU 99 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1a6a h LEU 99 CO 0.42 0.00 -0.19 0.03 0.09 0.00 0.00 178.44 178.79 1a6a h ARG 100 N 0.00 0.00 -6.57 1.13 3.08 -1.98 -3.42 114.38 106.62 1a6a h ARG 100 Ca 0.42 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.95 1a6a h ARG 100 Cb 1.81 0.00 0.05 0.00 0.08 0.00 0.00 29.97 31.90 1a6a h ARG 100 CO -0.00 0.00 1.06 -2.00 -1.07 0.00 0.00 179.97 177.95 1a6a s GLU 101 N -1.63 4.14 0.58 0.04 2.12 -1.21 -4.87 118.70 117.86 1a6a s GLU 101 Ca -0.05 2.58 -0.18 0.00 0.36 0.00 0.00 54.97 57.67 1a6a s GLU 101 Cb 0.01 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 31.00 1a6a s GLU 101 CO 0.08 -0.79 1.15 -1.25 -0.54 0.00 0.00 175.26 173.90 1a6a s PRO 102 N 2.03 3.13 0.41 4.30 0.04 -1.26 -4.52 135.00 139.13 1a6a s PRO 102 Ca 0.78 1.62 0.03 0.00 0.04 0.00 0.00 61.00 63.47 1a6a s PRO 102 Cb -0.47 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.06 1a6a s PRO 102 CO 0.34 -1.03 0.09 1.21 0.04 0.00 0.00 177.00 177.65 1a6a s ASN 103 N -1.89 3.02 -0.19 6.66 3.84 0.43 -4.97 114.94 121.85 1a6a s ASN 103 Ca 0.73 -1.61 0.00 0.00 0.21 0.00 0.00 52.86 52.19 1a6a s ASN 103 Cb -0.25 0.37 0.04 0.00 -0.55 0.00 0.00 41.25 40.87 1a6a s ASN 103 CO 0.31 -0.84 -0.07 -0.69 -2.79 0.00 0.00 177.10 173.02 1a6a s VAL 104 N -3.14 1.40 -0.04 -5.21 1.01 -1.26 0.44 120.40 113.60 1a6a s VAL 104 Ca 0.23 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 1a6a s VAL 104 Cb 0.04 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1a6a s VAL 104 CO 0.13 0.11 1.16 -0.76 0.00 0.00 0.00 175.10 175.74 1a6a s LEU 105 N 1.50 4.30 -0.20 3.92 1.43 0.23 -0.35 118.68 129.50 1a6a s LEU 105 Ca -0.01 1.81 -0.03 0.00 -1.03 0.00 0.00 54.13 54.86 1a6a s LEU 105 Cb -0.16 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.49 1a6a s LEU 105 CO -0.08 -0.52 -0.06 -0.63 0.23 0.00 0.00 176.35 175.29 1a6a s ILE 106 N 1.89 3.32 -0.41 -0.59 1.01 -0.61 -0.86 121.20 124.95 1a6a s ILE 106 Ca 0.55 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 60.60 1a6a s ILE 106 Cb -0.24 -2.49 0.08 0.00 0.01 0.00 0.00 42.46 39.82 1a6a s ILE 106 CO 0.23 0.45 0.23 0.00 0.00 0.00 0.00 174.94 175.85 1a6a s PHE 108 N 1.37 3.37 -0.16 0.00 5.36 0.40 -0.97 117.98 127.33 1a6a s PHE 108 Ca 0.03 0.44 -0.06 0.00 -0.96 0.00 0.00 56.93 56.38 1a6a s PHE 108 Cb -0.23 -2.37 -0.04 0.00 -0.34 0.00 0.00 43.02 40.04 1a6a s PHE 108 CO 0.01 0.08 0.03 0.42 -1.46 0.00 0.00 175.22 174.29 1a6a s ILE 109 N 1.02 4.50 0.07 3.12 1.09 0.22 -1.25 121.20 129.96 1a6a s ILE 109 Ca 0.13 -0.14 0.00 0.00 -1.10 0.00 0.00 60.65 59.54 1a6a s ILE 109 Cb -0.14 -3.00 -0.04 0.00 -1.06 0.00 0.00 42.46 38.23 1a6a s ILE 109 CO 0.05 0.49 -0.05 -0.62 -0.10 0.00 0.00 174.94 174.71 1a6a s ASP 110 N 0.22 0.79 -0.67 3.58 2.15 -1.19 -1.92 116.67 119.64 1a6a s ASP 110 Ca 0.02 -0.98 -0.12 0.00 0.43 0.00 0.00 52.55 51.90 1a6a s ASP 110 Cb -0.13 0.15 0.02 0.00 -0.30 0.00 0.00 42.92 42.65 1a6a s ASP 110 CO 0.01 -0.52 0.64 0.29 -0.17 0.00 0.00 175.17 175.42 1a6a n LYS 111 N 0.11 -1.70 -3.72 4.34 5.02 -0.93 -1.11 118.16 120.17 1a6a n LYS 111 Ca -0.14 1.23 -0.10 0.00 -2.02 0.00 0.00 58.31 57.28 1a6a n LYS 111 Cb 0.61 -3.28 -0.04 0.00 -0.02 0.00 0.00 35.03 32.29 1a6a n LYS 111 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1a6a s PHE 112 N -2.56 -0.11 -0.15 2.13 -0.71 -1.20 -4.21 117.98 111.16 1a6a s PHE 112 Ca 0.13 -0.22 -0.30 0.00 -1.04 0.00 0.00 56.93 55.50 1a6a s PHE 112 Cb -0.02 0.34 0.11 0.00 -1.21 0.00 0.00 43.02 42.24 1a6a s PHE 112 CO 0.85 -0.86 0.93 0.95 -1.34 0.00 0.00 175.22 175.75 1a6a s THR 113 N -3.86 0.00 0.84 -4.49 -4.23 -1.05 -0.99 115.64 101.86 1a6a s THR 113 Ca 0.08 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.47 1a6a s THR 113 Cb -0.00 -1.00 0.10 0.00 1.34 0.00 0.00 72.50 72.94 1a6a s THR 113 CO -0.05 0.00 1.13 -2.16 -0.54 0.00 0.00 174.62 173.00 1a6a s PRO 114 N -0.95 1.69 0.52 3.99 0.04 -1.26 -0.76 135.00 138.26 1a6a s PRO 114 Ca -0.03 0.36 0.31 0.00 0.04 0.00 0.00 61.00 61.68 1a6a s PRO 114 Cb -0.01 -1.90 1.44 0.00 0.04 0.00 0.00 34.50 34.07 1a6a s PRO 114 CO 0.03 -1.83 1.85 -1.35 0.04 0.00 0.00 177.00 175.73 1a6a h PRO 115 N -1.24 0.07 -6.24 0.56 0.11 -2.01 -3.44 132.00 119.82 1a6a h PRO 115 Ca -0.48 -0.00 -0.69 0.00 0.11 0.00 0.00 66.00 64.93 1a6a h PRO 115 Cb 1.31 -0.02 0.05 0.00 0.11 0.00 0.00 31.00 32.45 1a6a h PRO 115 CO 0.62 0.04 0.48 0.28 -0.21 0.00 0.00 178.00 179.21 1a6a n VAL 116 N -4.29 0.03 -4.01 3.15 0.31 -1.26 -4.96 118.33 107.30 1a6a n VAL 116 Ca 0.22 -0.01 -0.08 0.00 -0.01 0.00 0.00 64.34 64.46 1a6a n VAL 116 Cb 1.03 -0.81 -0.09 0.00 -0.91 0.00 0.00 33.84 33.07 1a6a n VAL 116 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1a6a s VAL 117 N 0.77 0.15 -0.46 2.52 1.01 -1.26 -4.76 120.40 118.36 1a6a s VAL 117 Ca 0.86 -1.57 0.05 0.00 0.00 0.00 0.00 61.98 61.33 1a6a s VAL 117 Cb -0.99 -1.62 0.18 0.00 0.00 0.00 0.00 36.38 33.95 1a6a s VAL 117 CO 0.49 -0.67 0.52 0.21 0.00 0.00 0.00 175.10 175.65 1a6a s ASN 118 N -2.94 0.09 0.41 3.32 3.84 -0.84 -4.96 114.94 113.87 1a6a s ASN 118 Ca 0.12 -2.39 -0.13 0.00 0.21 0.00 0.00 52.86 50.66 1a6a s ASN 118 Cb 0.06 0.68 -0.07 0.00 -0.55 0.00 0.00 41.25 41.36 1a6a s ASN 118 CO -0.06 -0.12 0.82 -0.69 -2.79 0.00 0.00 177.10 174.26 1a6a s VAL 119 N 0.50 4.69 -0.12 -5.21 1.01 -1.26 -1.15 120.40 118.86 1a6a s VAL 119 Ca 0.31 0.85 -0.18 0.00 0.00 0.00 0.00 61.98 62.96 1a6a s VAL 119 Cb 0.01 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.74 1a6a s VAL 119 CO -0.12 -0.49 0.47 -0.89 0.00 0.00 0.00 175.10 174.07 1a6a s THR 120 N -2.35 0.01 -0.17 3.92 2.01 0.27 -4.95 115.64 114.39 1a6a s THR 120 Ca 0.54 -0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.38 1a6a s THR 120 Cb -0.10 -0.70 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 1a6a s THR 120 CO 0.28 -0.06 -0.01 0.26 -0.69 0.00 0.00 174.62 174.40 1a6a s TRP 121 N -0.30 3.09 -0.21 4.92 0.52 -1.26 -0.43 118.94 125.27 1a6a s TRP 121 Ca -0.05 -0.22 0.02 0.00 0.02 0.00 0.00 56.10 55.87 1a6a s TRP 121 Cb -0.03 -2.00 0.03 0.00 -1.15 0.00 0.00 33.47 30.32 1a6a s TRP 121 CO 0.03 -0.01 -0.16 -0.51 0.02 0.00 0.00 176.95 176.31 1a6a s LEU 122 N 0.44 2.55 -0.37 2.99 1.02 -0.79 -0.82 118.68 123.70 1a6a s LEU 122 Ca -0.02 -0.90 -0.19 0.00 0.02 0.00 0.00 54.13 53.05 1a6a s LEU 122 Cb -0.14 -1.48 0.00 0.00 0.02 0.00 0.00 46.19 44.59 1a6a s LEU 122 CO 0.02 -0.07 0.53 -0.60 0.02 0.00 0.00 176.35 176.25 1a6a s ARG 123 N 1.24 3.52 -1.54 1.70 3.52 0.33 -2.37 118.95 125.35 1a6a s ARG 123 Ca 0.00 -0.24 -0.12 0.00 -0.13 0.00 0.00 55.73 55.23 1a6a s ARG 123 Cb -0.15 -3.85 0.09 0.00 -1.56 0.00 0.00 34.95 29.48 1a6a s ARG 123 CO -0.10 -0.72 0.87 0.09 -0.81 0.00 0.00 175.30 174.63 1a6a n ASN 124 N 5.82 -3.77 0.00 -2.12 3.02 0.62 -1.97 115.26 116.86 1a6a n ASN 124 Ca -0.04 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 1a6a n ASN 124 Cb 0.49 -3.61 0.00 0.00 -0.61 0.00 0.00 39.78 36.05 1a6a n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a6a n GLY 125 N -1.64 2.69 3.78 7.41 0.00 -1.26 -5.02 105.19 111.15 1a6a n GLY 125 Ca -0.01 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 1a6a n GLY 125 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a6a s LYS 126 N 0.00 4.37 0.36 1.61 0.00 -0.83 -4.86 119.74 120.39 1a6a s LYS 126 Ca 0.00 0.90 -0.28 0.00 0.00 0.00 0.00 55.97 56.59 1a6a s LYS 126 Cb 0.00 -3.29 -0.11 0.00 0.00 0.00 0.00 37.83 34.43 1a6a s LYS 126 CO 0.00 0.50 1.45 -1.25 0.00 0.00 0.00 175.35 176.06 1a6a s PRO 127 N -0.75 4.16 -0.39 1.78 0.04 -1.26 0.12 135.00 138.72 1a6a s PRO 127 Ca 0.33 2.50 0.03 0.00 0.04 0.00 0.00 61.00 63.90 1a6a s PRO 127 Cb -0.20 -2.99 0.11 0.00 0.04 0.00 0.00 34.50 31.45 1a6a s PRO 127 CO 0.21 -0.47 0.11 0.14 0.04 0.00 0.00 177.00 177.04 1a6a s VAL 128 N -1.06 2.48 -2.07 -0.36 -7.23 0.00 -4.75 120.40 107.40 1a6a s VAL 128 Ca 0.53 -2.51 0.29 0.00 -1.81 0.00 0.00 61.98 58.47 1a6a s VAL 128 Cb -0.45 -2.79 0.57 0.00 0.56 0.00 0.00 36.38 34.27 1a6a s VAL 128 CO 0.60 -0.65 1.86 0.41 -0.31 0.00 0.00 175.10 177.01 1a6a n THR 129 N 4.06 0.00 -1.51 5.32 -1.04 -1.26 -4.53 114.28 115.31 1a6a n THR 129 Ca 0.04 -0.13 -0.31 0.00 -2.04 0.00 0.00 64.05 61.61 1a6a n THR 129 Cb 0.40 0.11 -0.08 0.00 -1.82 0.00 0.00 70.33 68.94 1a6a n THR 129 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1a6a n THR 130 N -0.48 1.18 0.00 12.58 -1.04 -1.26 -2.58 114.28 122.68 1a6a n THR 130 Ca 0.18 -1.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.03 1a6a n THR 130 Cb 0.28 -2.14 0.00 0.00 -1.82 0.00 0.00 70.33 66.65 1a6a n THR 130 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1a6a n GLY 131 N 5.46 0.89 3.72 3.41 0.00 -1.26 -4.80 105.19 112.60 1a6a n GLY 131 Ca 0.45 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.06 1a6a n GLY 131 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1a6a n VAL 132 N -0.58 2.12 -4.05 1.61 0.24 -1.07 -4.33 118.33 112.28 1a6a n VAL 132 Ca 0.00 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.34 61.72 1a6a n VAL 132 Cb 0.00 -1.66 -0.09 0.00 -1.47 0.00 0.00 33.84 30.61 1a6a n VAL 132 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1a6a s SER 133 N -0.32 0.36 0.25 -1.34 0.01 -1.00 -5.00 113.70 106.65 1a6a s SER 133 Ca 0.56 -0.96 -0.21 0.00 1.31 0.00 0.00 55.95 56.65 1a6a s SER 133 Cb -0.53 0.26 0.06 0.00 0.21 0.00 0.00 66.02 66.02 1a6a s SER 133 CO 0.62 -0.67 0.91 -1.83 0.41 0.00 0.00 173.24 172.68 1a6a s GLU 134 N -3.94 1.61 0.41 12.44 -1.05 -1.26 -0.25 118.70 126.67 1a6a s GLU 134 Ca 0.10 -0.99 0.05 0.00 -0.15 0.00 0.00 54.97 53.98 1a6a s GLU 134 Cb 0.07 0.48 -0.06 0.00 -0.44 0.00 0.00 34.13 34.18 1a6a s GLU 134 CO -0.07 -0.75 0.03 0.95 0.95 0.00 0.00 175.26 176.37 1a6a s THR 135 N -2.67 1.47 0.40 1.83 -4.23 -0.88 -4.99 115.64 106.57 1a6a s THR 135 Ca 0.16 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.65 1a6a s THR 135 Cb -0.03 -2.70 0.08 0.00 1.34 0.00 0.00 72.50 71.19 1a6a s THR 135 CO 0.07 0.00 0.55 1.33 -0.54 0.00 0.00 174.62 176.02 1a6a n VAL 136 N -0.95 0.00 -2.54 2.29 0.24 -1.26 -4.68 118.33 111.43 1a6a n VAL 136 Ca -0.07 -0.73 -0.42 0.00 -2.04 0.00 0.00 64.34 61.08 1a6a n VAL 136 Cb 0.67 -1.28 -0.03 0.00 -1.47 0.00 0.00 33.84 31.73 1a6a n VAL 136 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1a6a s PHE 137 N -1.70 3.39 0.05 6.34 0.08 -1.26 -4.63 117.98 120.25 1a6a s PHE 137 Ca 0.35 1.39 0.01 0.00 0.12 0.00 0.00 56.93 58.80 1a6a s PHE 137 Cb -0.02 -3.32 -0.04 0.00 -0.57 0.00 0.00 43.02 39.07 1a6a s PHE 137 CO 0.23 -0.86 0.13 -0.51 -0.10 0.00 0.00 175.22 174.11 1a6a s LEU 138 N 1.75 4.02 0.70 -0.37 1.43 -0.59 -4.90 118.68 120.72 1a6a s LEU 138 Ca 0.54 0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.66 1a6a s LEU 138 Cb -0.24 -2.60 0.02 0.00 0.03 0.00 0.00 46.19 43.40 1a6a s LEU 138 CO 0.23 0.19 1.08 -2.16 0.23 0.00 0.00 176.35 175.92 1a6a s PRO 139 N -2.29 2.83 0.00 1.29 0.04 -1.26 -0.41 135.00 135.19 1a6a s PRO 139 Ca 0.30 0.38 -0.05 0.00 0.04 0.00 0.00 61.00 61.67 1a6a s PRO 139 Cb -0.12 -2.05 -0.00 0.00 0.04 0.00 0.00 34.50 32.36 1a6a s PRO 139 CO 0.22 -1.02 0.09 1.03 0.04 0.00 0.00 177.00 177.37 1a6a s ARG 140 N -5.32 0.39 0.42 4.56 0.52 -1.20 -4.75 118.95 113.57 1a6a s ARG 140 Ca 0.58 -0.39 0.22 0.00 -0.52 0.00 0.00 55.73 55.62 1a6a s ARG 140 Cb -0.11 0.16 1.20 0.00 0.52 0.00 0.00 34.95 36.72 1a6a s ARG 140 CO 0.51 -0.08 1.76 0.93 0.02 0.00 0.00 175.30 178.44 1a6a h GLU 141 N 4.59 0.30 -0.94 3.54 3.07 -1.99 1.06 114.58 124.21 1a6a h GLU 141 Ca -0.30 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 58.44 1a6a h GLU 141 Cb 1.20 -0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 28.98 1a6a h GLU 141 CO 0.41 0.20 0.13 -0.40 -1.40 0.00 0.00 179.01 177.95 1a6a n ASP 142 N -4.57 2.99 -4.42 1.42 5.68 -1.26 -4.88 116.55 111.52 1a6a n ASP 142 Ca 0.26 -2.45 -0.38 0.00 -0.50 0.00 0.00 54.79 51.72 1a6a n ASP 142 Cb 0.98 -0.59 -0.08 0.00 -1.14 0.00 0.00 41.12 40.28 1a6a n ASP 142 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1a6a n HIS 143 N 0.05 -1.17 -3.11 2.11 -0.00 0.37 -4.96 115.22 108.51 1a6a n HIS 143 Ca 0.16 0.65 0.00 0.00 -0.00 0.00 0.00 57.72 58.53 1a6a n HIS 143 Cb 0.76 -2.13 0.00 0.00 -0.00 0.00 0.00 29.99 28.63 1a6a n HIS 143 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1a6a n LEU 144 N -4.17 0.00 -4.23 2.39 4.77 -1.25 -4.92 117.00 109.59 1a6a n LEU 144 Ca -0.03 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.74 1a6a n LEU 144 Cb 0.52 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.49 1a6a n LEU 144 CO 0.91 -0.16 -0.49 -0.36 -1.33 0.00 0.00 177.39 175.97 1a6a s PHE 145 N 0.58 1.52 0.47 -1.77 0.08 -0.17 -3.25 117.98 115.45 1a6a s PHE 145 Ca 0.00 -0.44 0.06 0.00 0.12 0.00 0.00 56.93 56.66 1a6a s PHE 145 Cb 0.00 -0.84 -0.02 0.00 -0.57 0.00 0.00 43.02 41.60 1a6a s PHE 145 CO 0.00 0.14 0.21 1.03 -0.10 0.00 0.00 175.22 176.50 1a6a s ARG 146 N -1.90 2.23 0.00 0.44 0.52 0.45 -2.18 118.95 118.51 1a6a s ARG 146 Ca 0.03 -2.01 0.00 0.00 -0.52 0.00 0.00 55.73 53.23 1a6a s ARG 146 Cb -0.10 -1.93 0.00 0.00 0.52 0.00 0.00 34.95 33.45 1a6a s ARG 146 CO 0.03 -0.31 0.00 1.17 0.02 0.00 0.00 175.30 176.21 1a6a n LYS 147 N -1.40 0.00 -4.33 3.54 4.81 -0.81 -1.54 118.16 118.43 1a6a n LYS 147 Ca -0.05 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.09 1a6a n LYS 147 Cb 0.65 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.59 1a6a n LYS 147 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1a6a s PHE 148 N -0.36 2.67 -0.08 5.64 0.40 -1.26 -0.61 117.98 124.39 1a6a s PHE 148 Ca 0.00 -0.19 -0.02 0.00 -0.60 0.00 0.00 56.93 56.12 1a6a s PHE 148 Cb 0.00 -1.43 0.03 0.00 0.51 0.00 0.00 43.02 42.13 1a6a s PHE 148 CO 0.00 0.38 0.03 -1.01 0.70 0.00 0.00 175.22 175.32 1a6a s HIS 149 N -1.13 0.50 0.17 0.36 3.76 -0.15 -2.06 115.29 116.74 1a6a s HIS 149 Ca 0.19 -0.11 0.04 0.00 -0.15 0.00 0.00 55.06 55.04 1a6a s HIS 149 Cb -0.11 -0.72 -0.04 0.00 1.11 0.00 0.00 32.58 32.82 1a6a s HIS 149 CO 0.11 -0.32 0.20 0.71 -0.85 0.00 0.00 174.74 174.59 1a6a s TYR 150 N 2.03 3.26 -0.36 1.40 2.02 0.66 0.17 117.35 126.53 1a6a s TYR 150 Ca 0.04 0.01 0.04 0.00 -0.37 0.00 0.00 57.07 56.80 1a6a s TYR 150 Cb -0.13 -1.55 0.17 0.00 -0.40 0.00 0.00 41.96 40.05 1a6a s TYR 150 CO -0.05 0.51 0.47 -1.17 -1.57 0.00 0.00 175.55 173.74 1a6a s LEU 151 N -3.28 -0.75 0.15 -1.29 2.96 -0.04 -2.38 118.68 114.05 1a6a s LEU 151 Ca 0.32 -0.96 -0.31 0.00 -0.22 0.00 0.00 54.13 52.96 1a6a s LEU 151 Cb -0.10 1.18 -0.10 0.00 0.50 0.00 0.00 46.19 47.67 1a6a s LEU 151 CO 0.25 -0.26 1.57 -2.84 -1.32 0.00 0.00 176.35 173.76 1a6a s PRO 152 N 1.90 4.22 0.06 0.98 0.02 -1.26 -0.60 135.00 140.31 1a6a s PRO 152 Ca 0.14 2.35 -0.03 0.00 0.02 0.00 0.00 61.00 63.48 1a6a s PRO 152 Cb -0.11 -3.20 -0.03 0.00 0.02 0.00 0.00 34.50 31.18 1a6a s PRO 152 CO -0.12 -0.61 0.03 -0.59 -0.33 0.00 0.00 177.00 175.37 1a6a s PHE 153 N 1.30 0.40 -0.36 6.54 -0.71 0.17 -4.90 117.98 120.42 1a6a s PHE 153 Ca 0.70 -0.90 -0.13 0.00 -1.04 0.00 0.00 56.93 55.56 1a6a s PHE 153 Cb -0.43 -0.29 -0.01 0.00 -1.21 0.00 0.00 43.02 41.09 1a6a s PHE 153 CO 0.31 -0.42 0.25 -1.17 -1.34 0.00 0.00 175.22 172.85 1a6a s LEU 154 N -2.82 4.64 -0.28 -1.99 2.96 -1.26 -0.43 118.68 119.49 1a6a s LEU 154 Ca 0.05 -0.57 -0.42 0.00 -0.22 0.00 0.00 54.13 52.97 1a6a s LEU 154 Cb 0.06 -2.13 -0.18 0.00 0.50 0.00 0.00 46.19 44.45 1a6a s LEU 154 CO -0.10 -0.29 1.55 -2.65 -1.32 0.00 0.00 176.35 173.54 1a6a n PRO 155 N 5.10 0.54 -0.91 0.98 -0.02 -1.26 -4.94 135.00 134.49 1a6a n PRO 155 Ca -0.12 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1a6a n PRO 155 Cb 0.49 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 1a6a n PRO 155 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1a6a n SER 156 N 3.96 1.46 0.00 2.55 2.88 -1.26 -4.80 113.62 118.41 1a6a n SER 156 Ca 0.26 -0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 1a6a n SER 156 Cb 0.05 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1a6a n SER 156 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1a6a n THR 157 N 0.00 0.00 -0.01 2.46 -1.04 -1.26 -4.68 114.28 109.75 1a6a n THR 157 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1a6a n THR 157 Cb 0.00 1.76 0.00 0.00 -1.82 0.00 0.00 70.33 70.27 1a6a n THR 157 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1a6a n GLU 158 N 0.00 5.50 -3.69 -2.82 4.71 -1.26 -4.99 120.64 118.09 1a6a n GLU 158 Ca 0.00 -0.03 -0.37 0.00 -0.01 0.00 0.00 57.16 56.75 1a6a n GLU 158 Cb 0.19 -0.47 -0.06 0.00 -1.01 0.00 0.00 31.44 30.09 1a6a n GLU 158 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1a6a s ASP 159 N -0.80 6.59 -0.10 1.62 1.01 -1.26 -4.97 116.67 118.77 1a6a s ASP 159 Ca 0.00 0.70 0.01 0.00 0.71 0.00 0.00 52.55 53.97 1a6a s ASP 159 Cb 0.00 -2.15 0.02 0.00 1.01 0.00 0.00 42.92 41.80 1a6a s ASP 159 CO 0.00 0.33 -0.10 0.68 0.21 0.00 0.00 175.17 176.29 1a6a s VAL 160 N -1.13 1.12 0.05 -1.27 -7.23 -1.26 -4.48 120.40 106.19 1a6a s VAL 160 Ca 0.22 -0.38 0.03 0.00 -1.81 0.00 0.00 61.98 60.04 1a6a s VAL 160 Cb -0.14 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.67 1a6a s VAL 160 CO 0.11 0.37 0.01 -0.31 -0.31 0.00 0.00 175.10 174.97 1a6a s TYR 161 N 1.35 3.04 -0.01 2.82 1.51 -0.30 -0.27 117.35 125.49 1a6a s TYR 161 Ca -0.01 0.03 -0.01 0.00 -1.01 0.00 0.00 57.07 56.07 1a6a s TYR 161 Cb -0.14 -1.61 0.01 0.00 -0.11 0.00 0.00 41.96 40.11 1a6a s TYR 161 CO -0.05 0.47 0.03 -0.51 -1.11 0.00 0.00 175.55 174.38 1a6a s ASP 162 N -1.95 -0.01 -0.41 2.29 1.01 -1.00 0.15 116.67 116.75 1a6a s ASP 162 Ca 0.23 0.06 -0.14 0.00 0.71 0.00 0.00 52.55 53.41 1a6a s ASP 162 Cb -0.12 0.04 0.03 0.00 1.01 0.00 0.00 42.92 43.89 1a6a s ASP 162 CO 0.15 -0.03 0.29 0.00 0.21 0.00 0.00 175.17 175.79 1a6a s ARG 164 N 1.63 3.23 -0.12 0.00 3.52 0.43 -0.79 118.95 126.85 1a6a s ARG 164 Ca 0.04 -0.55 -0.04 0.00 -0.13 0.00 0.00 55.73 55.05 1a6a s ARG 164 Cb -0.20 -4.02 -0.03 0.00 -1.56 0.00 0.00 34.95 29.13 1a6a s ARG 164 CO 0.08 -1.17 0.02 0.08 -0.81 0.00 0.00 175.30 173.50 1a6a s VAL 165 N 2.94 4.46 0.06 7.11 1.01 0.22 -0.56 120.40 135.64 1a6a s VAL 165 Ca 0.21 -0.17 0.09 0.00 0.00 0.00 0.00 61.98 62.11 1a6a s VAL 165 Cb -0.16 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 1a6a s VAL 165 CO 0.16 0.56 -0.25 -1.61 0.00 0.00 0.00 175.10 173.96 1a6a s GLU 166 N -0.43 1.65 -0.18 2.72 2.02 -0.30 -2.16 118.70 122.01 1a6a s GLU 166 Ca 0.08 -1.11 -0.19 0.00 0.02 0.00 0.00 54.97 53.78 1a6a s GLU 166 Cb -0.12 -1.86 0.05 0.00 0.10 0.00 0.00 34.13 32.30 1a6a s GLU 166 CO 0.02 0.47 0.52 -1.58 0.02 0.00 0.00 175.26 174.71 1a6a s HIS 167 N -0.85 -0.56 0.25 1.61 2.46 -1.26 -1.98 115.29 114.96 1a6a s HIS 167 Ca 0.11 1.33 -0.07 0.00 0.47 0.00 0.00 55.06 56.91 1a6a s HIS 167 Cb -0.10 0.20 0.45 0.00 -0.13 0.00 0.00 32.58 33.00 1a6a s HIS 167 CO 0.03 -0.30 1.63 -1.49 -2.47 0.00 0.00 174.74 172.14 1a6a h TRP 168 N 5.15 -0.09 -2.34 3.88 -0.00 -1.95 -2.20 115.95 118.39 1a6a h TRP 168 Ca -0.28 0.06 -0.75 0.00 -0.00 0.00 0.00 58.89 57.92 1a6a h TRP 168 Cb 1.17 0.16 -0.19 0.00 -0.00 0.00 0.00 29.16 30.30 1a6a h TRP 168 CO 0.40 -0.27 1.25 0.41 -0.00 0.00 0.00 178.44 180.24 1a6a n GLY 169 N -1.44 3.56 3.15 1.49 0.00 -1.26 -4.77 105.19 105.92 1a6a n GLY 169 Ca 0.14 -2.10 0.06 0.00 0.00 0.00 0.00 46.02 44.11 1a6a n GLY 169 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1a6a s LEU 170 N 1.06 -0.36 0.00 0.99 2.96 -0.83 -4.05 118.68 118.45 1a6a s LEU 170 Ca 0.41 0.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.41 1a6a s LEU 170 Cb -0.03 1.25 0.00 0.00 0.50 0.00 0.00 46.19 47.90 1a6a s LEU 170 CO -0.01 -0.07 0.67 -0.90 -1.32 0.00 0.00 176.35 174.73 1a6a n ASP 171 N 5.20 0.00 -4.57 3.68 5.68 -1.26 -4.60 116.55 120.68 1a6a n ASP 171 Ca 0.05 0.67 -0.27 0.00 -0.50 0.00 0.00 54.79 54.74 1a6a n ASP 171 Cb 0.57 -0.27 -0.09 0.00 -1.14 0.00 0.00 41.12 40.18 1a6a n ASP 171 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1a6a s GLU 172 N -2.38 2.07 -0.52 0.11 8.01 -1.26 -5.04 118.70 119.69 1a6a s GLU 172 Ca 0.00 -1.23 -0.26 0.00 0.01 0.00 0.00 54.97 53.49 1a6a s GLU 172 Cb 0.00 -2.18 -0.07 0.00 -4.31 0.00 0.00 34.13 27.57 1a6a s GLU 172 CO 0.00 0.44 2.37 -2.14 0.01 0.00 0.00 175.26 175.94 1a6a s PRO 173 N -2.74 2.10 -0.00 0.39 0.02 -1.26 -4.90 135.00 128.61 1a6a s PRO 173 Ca 0.24 1.29 -0.30 0.00 0.02 0.00 0.00 61.00 62.25 1a6a s PRO 173 Cb -0.09 -4.59 -0.06 0.00 0.02 0.00 0.00 34.50 29.78 1a6a s PRO 173 CO 0.15 -3.32 1.56 -0.48 -0.33 0.00 0.00 177.00 174.58 1a6a s LEU 174 N 12.15 4.33 0.08 -5.54 0.05 -0.92 -4.78 118.68 124.06 1a6a s LEU 174 Ca 0.95 2.26 -0.02 0.00 0.05 0.00 0.00 54.13 57.37 1a6a s LEU 174 Cb -0.16 -3.55 -0.04 0.00 -2.05 0.00 0.00 46.19 40.38 1a6a s LEU 174 CO 0.24 -0.84 0.26 -0.76 -0.55 0.00 0.00 176.35 174.70 1a6a s LEU 175 N 3.03 4.34 -0.47 1.48 1.02 -1.26 -0.61 118.68 126.21 1a6a s LEU 175 Ca 0.70 0.37 0.03 0.00 0.02 0.00 0.00 54.13 55.25 1a6a s LEU 175 Cb -0.34 -3.04 0.16 0.00 0.02 0.00 0.00 46.19 42.99 1a6a s LEU 175 CO 0.29 0.14 0.33 -0.75 0.02 0.00 0.00 176.35 176.38 1a6a s LYS 176 N -2.51 1.29 0.52 1.70 2.47 0.03 -4.87 119.74 118.37 1a6a s LYS 176 Ca 0.36 -2.24 -0.19 0.00 -1.56 0.00 0.00 55.97 52.34 1a6a s LYS 176 Cb -0.13 -2.07 -0.11 0.00 -1.46 0.00 0.00 37.83 34.06 1a6a s LYS 176 CO 0.26 -1.28 0.35 1.58 0.16 0.00 0.00 175.35 176.43 1a6a n HIS 177 N 3.01 -1.25 -3.59 4.03 -0.00 -1.26 -2.35 115.22 113.81 1a6a n HIS 177 Ca 0.20 0.48 -0.17 0.00 -0.00 0.00 0.00 57.72 58.23 1a6a n HIS 177 Cb 0.40 -1.89 -0.07 0.00 -0.00 0.00 0.00 29.99 28.43 1a6a n HIS 177 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.34 175.88 1a6a s TRP 178 N -1.75 -0.54 -0.24 1.57 -0.00 0.41 -4.90 118.94 113.49 1a6a s TRP 178 Ca 0.65 0.93 -0.27 0.00 -0.00 0.00 0.00 56.10 57.40 1a6a s TRP 178 Cb -0.49 0.32 0.14 0.00 -0.00 0.00 0.00 33.47 33.44 1a6a s TRP 178 CO 0.58 -0.54 1.11 -1.83 -0.00 0.00 0.00 176.95 176.27 1a6a s GLU 179 N -1.17 0.42 0.00 5.86 -1.05 -1.26 -1.15 118.70 120.35 1a6a s GLU 179 Ca -0.11 0.31 0.13 0.00 -0.15 0.00 0.00 54.97 55.14 1a6a s GLU 179 Cb -0.01 0.20 0.78 0.00 -0.44 0.00 0.00 34.13 34.66 1a6a s GLU 179 CO 0.08 -0.09 1.21 0.34 0.95 0.00 0.00 175.26 177.75