#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hd0 s HIS 7 N 0.00 -0.10 0.66 -1.77 -3.43 -1.26 -5.16 115.29 104.24 3hd0 s HIS 7 Ca 0.00 -0.37 -0.11 0.00 -0.80 0.00 0.00 55.06 53.78 3hd0 s HIS 7 Cb 0.00 0.72 -0.01 0.00 -1.43 0.00 0.00 32.58 31.86 3hd0 s HIS 7 CO 0.00 -1.20 1.06 1.03 -2.00 0.00 0.00 174.74 173.63 3hd0 s ARG 8 N -3.34 3.22 0.00 -0.38 0.52 -1.26 -5.02 118.95 112.69 3hd0 s ARG 8 Ca 0.13 0.70 0.14 0.00 -0.52 0.00 0.00 55.73 56.17 3hd0 s ARG 8 Cb -0.05 -2.04 -0.12 0.00 0.52 0.00 0.00 34.95 33.27 3hd0 s ARG 8 CO 0.07 -0.83 0.62 0.91 0.02 0.00 0.00 175.30 176.08 3hd0 n TRP 9 N -2.92 0.00 -0.30 -0.53 7.02 -1.26 -4.71 117.44 114.74 3hd0 n TRP 9 Ca 0.07 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.44 3hd0 n TRP 9 Cb 0.55 0.00 0.05 0.00 -2.42 0.00 0.00 31.31 29.49 3hd0 n TRP 9 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3hd0 n ASP 10 N -1.08 4.72 -4.87 -0.99 2.03 -1.26 -4.95 116.55 110.16 3hd0 n ASP 10 Ca 0.03 -2.75 -0.33 0.00 0.52 0.00 0.00 54.79 52.27 3hd0 n ASP 10 Cb 0.23 -0.85 -0.05 0.00 -0.72 0.00 0.00 41.12 39.73 3hd0 n ASP 10 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hd0 s LEU 11 N -1.30 4.20 0.79 -2.67 1.43 -1.26 -5.08 118.68 114.79 3hd0 s LEU 11 Ca 0.22 0.95 -0.14 0.00 -1.03 0.00 0.00 54.13 54.13 3hd0 s LEU 11 Cb 0.18 -3.59 0.07 0.00 0.03 0.00 0.00 46.19 42.88 3hd0 s LEU 11 CO 0.02 -0.03 1.21 -2.84 0.23 0.00 0.00 176.35 174.94 3hd0 s PRO 12 N -2.64 1.76 0.29 1.29 0.02 -1.26 -4.79 135.00 129.67 3hd0 s PRO 12 Ca 0.45 1.78 0.03 0.00 0.02 0.00 0.00 61.00 63.28 3hd0 s PRO 12 Cb -0.12 -1.79 0.72 0.00 0.02 0.00 0.00 34.50 33.34 3hd0 s PRO 12 CO 0.21 -2.13 1.67 -1.35 -0.33 0.00 0.00 177.00 175.07 3hd0 h PRO 13 N -0.73 0.30 -0.63 5.54 0.11 -1.99 -2.02 132.00 132.57 3hd0 h PRO 13 Ca -0.47 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 3hd0 h PRO 13 Cb 1.30 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 3hd0 h PRO 13 CO 0.47 0.20 0.10 0.93 -0.21 0.00 0.00 178.00 179.49 3hd0 h GLU 14 N 0.31 1.04 0.00 1.05 3.07 -2.00 -1.55 114.58 116.49 3hd0 h GLU 14 Ca 0.56 -0.27 -0.06 0.00 -0.50 0.00 0.00 59.36 59.08 3hd0 h GLU 14 Cb 1.09 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.87 3hd0 h GLU 14 CO -0.58 0.96 -0.30 0.93 -1.40 0.00 0.00 179.01 178.62 3hd0 h GLU 15 N 0.98 0.00 -0.12 2.33 4.39 -1.75 -2.79 114.58 117.62 3hd0 h GLU 15 Ca 0.19 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.75 3hd0 h GLU 15 Cb 0.43 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 3hd0 h GLU 15 CO 0.01 0.30 -0.56 0.00 -1.16 0.00 0.00 179.01 177.60 3hd0 h ALA 16 N 1.70 0.81 -0.29 3.43 0.00 -0.78 -1.97 119.26 122.17 3hd0 h ALA 16 Ca -0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 3hd0 h ALA 16 Cb 0.85 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3hd0 h ALA 16 CO 0.04 0.70 0.02 0.82 0.00 0.00 0.00 179.25 180.83 3hd0 h ILE 17 N 0.28 1.25 -0.38 0.00 2.04 -1.08 -1.98 117.51 117.63 3hd0 h ILE 17 Ca 0.00 -0.87 0.05 0.00 1.00 0.00 0.00 64.86 65.04 3hd0 h ILE 17 Cb 1.07 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 38.36 3hd0 h ILE 17 CO 0.09 0.28 0.11 0.11 0.00 0.00 0.00 178.15 178.75 3hd0 h LYS 18 N 0.30 0.24 -0.65 2.37 1.57 -1.48 0.15 116.57 119.07 3hd0 h LYS 18 Ca 0.08 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.98 3hd0 h LYS 18 Cb 0.39 -0.05 -0.12 0.00 0.08 0.00 0.00 32.23 32.52 3hd0 h LYS 18 CO 0.01 0.16 -0.19 0.28 -0.57 0.00 0.00 179.45 179.14 3hd0 h VAL 19 N 0.25 0.31 0.29 0.50 2.07 -1.26 -1.72 116.25 116.68 3hd0 h VAL 19 Ca 0.18 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 3hd0 h VAL 19 Cb 0.18 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3hd0 h VAL 19 CO -0.20 0.00 -0.14 1.56 0.02 0.00 0.00 177.57 178.81 3hd0 h GLN 20 N -0.03 -0.37 -0.82 1.57 4.20 -0.42 -0.88 115.11 118.35 3hd0 h GLN 20 Ca 0.30 0.03 0.07 0.00 0.06 0.00 0.00 58.65 59.11 3hd0 h GLN 20 Cb 0.50 0.08 -0.10 0.00 0.30 0.00 0.00 27.48 28.27 3hd0 h GLN 20 CO -0.68 -0.22 -0.48 0.09 -0.67 0.00 0.00 178.83 176.86 3hd0 n ASN 21 N -5.24 -0.87 -0.05 1.46 3.02 -0.08 -0.97 115.26 112.53 3hd0 n ASN 21 Ca -0.10 1.63 -0.08 0.00 -0.03 0.00 0.00 54.58 56.00 3hd0 n ASN 21 Cb 0.19 -0.28 -0.02 0.00 -0.61 0.00 0.00 39.78 39.06 3hd0 n ASN 21 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3hd0 h GLU 22 N 0.00 -0.22 -0.02 3.52 4.57 -1.19 -3.11 114.58 118.13 3hd0 h GLU 22 Ca 0.13 0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.24 3hd0 h GLU 22 Cb 0.33 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 3hd0 h GLU 22 CO -0.77 -0.15 -0.41 -0.07 -1.18 0.00 0.00 179.01 176.44 3hd0 h LEU 23 N -0.23 0.04 -0.90 1.64 3.38 -0.43 -3.17 115.31 115.64 3hd0 h LEU 23 Ca 0.14 -0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.34 3hd0 h LEU 23 Cb 0.44 -0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.04 3hd0 h LEU 23 CO -0.38 0.44 0.33 -0.09 0.09 0.00 0.00 178.44 178.83 3hd0 h ARG 24 N 0.03 0.27 0.00 1.13 2.43 -0.97 0.40 114.38 117.67 3hd0 h ARG 24 Ca -0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3hd0 h ARG 24 Cb 0.74 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3hd0 h ARG 24 CO 0.05 0.18 0.00 0.36 -1.51 0.00 0.00 179.97 179.05 3hd0 n LYS 25 N -5.15 0.13 0.00 0.20 2.85 -1.20 -2.77 118.16 112.22 3hd0 n LYS 25 Ca 0.23 0.16 0.13 0.00 -1.05 0.00 0.00 58.31 57.78 3hd0 n LYS 25 Cb 0.72 -1.50 0.36 0.00 -0.65 0.00 0.00 35.03 33.96 3hd0 n LYS 25 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3hd0 n LYS 26 N -1.40 1.13 -2.41 -1.58 5.02 0.14 -4.91 118.16 114.16 3hd0 n LYS 26 Ca 0.06 -0.71 -0.42 0.00 -2.02 0.00 0.00 58.31 55.22 3hd0 n LYS 26 Cb 0.18 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 3hd0 n LYS 26 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hd0 s ILE 27 N -2.36 3.90 -0.36 -0.18 -1.09 -1.12 -5.02 121.20 114.98 3hd0 s ILE 27 Ca 0.27 1.42 -0.07 0.00 -2.23 0.00 0.00 60.65 60.04 3hd0 s ILE 27 Cb 0.20 -3.91 0.05 0.00 -1.58 0.00 0.00 42.46 37.21 3hd0 s ILE 27 CO 0.47 0.14 0.14 -0.54 -1.23 0.00 0.00 174.94 173.93 3hd0 s LYS 28 N 0.71 2.61 -0.55 2.79 1.02 -1.26 -5.00 119.74 120.05 3hd0 s LYS 28 Ca 0.57 -1.24 -0.22 0.00 0.02 0.00 0.00 55.97 55.10 3hd0 s LYS 28 Cb -0.30 -3.54 0.05 0.00 -0.52 0.00 0.00 37.83 33.52 3hd0 s LYS 28 CO 0.31 -0.73 0.84 -0.51 -0.92 0.00 0.00 175.35 174.34 3hd0 s LEU 29 N 1.41 4.43 -0.03 3.17 1.43 -1.26 -0.32 118.68 127.50 3hd0 s LEU 29 Ca -0.00 -0.62 -0.04 0.00 -1.03 0.00 0.00 54.13 52.44 3hd0 s LEU 29 Cb -0.20 -2.65 0.01 0.00 0.03 0.00 0.00 46.19 43.37 3hd0 s LEU 29 CO 0.03 -1.15 0.10 0.28 0.23 0.00 0.00 176.35 175.84 3hd0 s THR 30 N 3.53 0.01 0.56 5.49 -1.32 -1.26 -4.84 115.64 117.80 3hd0 s THR 30 Ca 0.24 -0.09 -0.20 0.00 -1.21 0.00 0.00 61.69 60.44 3hd0 s THR 30 Cb -0.15 -0.17 -0.06 0.00 -1.51 0.00 0.00 72.50 70.60 3hd0 s THR 30 CO 0.16 -0.05 0.98 -0.81 -2.21 0.00 0.00 174.62 172.69 3hd0 n PRO 31 N 2.86 1.04 -3.40 7.08 -0.04 -1.26 -3.00 135.00 138.28 3hd0 n PRO 31 Ca -0.13 0.39 -0.42 0.00 -0.04 0.00 0.00 63.50 63.29 3hd0 n PRO 31 Cb 0.59 -2.15 -0.09 0.00 -0.04 0.00 0.00 33.50 31.81 3hd0 n PRO 31 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3hd0 s TYR 32 N -1.46 3.20 -0.15 0.54 6.14 -1.26 -4.91 117.35 119.46 3hd0 s TYR 32 Ca 0.72 -0.37 -0.29 0.00 0.64 0.00 0.00 57.07 57.77 3hd0 s TYR 32 Cb -0.45 -2.72 -0.03 0.00 0.42 0.00 0.00 41.96 39.18 3hd0 s TYR 32 CO 0.50 -0.59 1.53 -1.21 0.64 0.00 0.00 175.55 176.42 3hd0 s GLU 33 N 1.94 4.05 3.06 4.97 2.02 -1.26 -4.86 118.70 128.62 3hd0 s GLU 33 Ca 0.09 1.85 0.00 0.00 0.02 0.00 0.00 54.97 56.93 3hd0 s GLU 33 Cb -0.18 -3.94 0.00 0.00 0.10 0.00 0.00 34.13 30.11 3hd0 s GLU 33 CO 0.12 -0.97 0.00 0.41 0.02 0.00 0.00 175.26 174.83 3hd0 n GLY 34 N 4.19 -0.37 3.23 -1.39 0.00 -1.26 -4.86 105.19 104.73 3hd0 n GLY 34 Ca 0.17 -1.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 3hd0 n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hd0 s GLU 35 N 0.00 2.84 0.82 1.61 2.56 -1.26 -5.08 118.70 120.19 3hd0 s GLU 35 Ca 0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 54.97 53.99 3hd0 s GLU 35 Cb 0.00 -2.22 0.12 0.00 2.00 0.00 0.00 34.13 34.03 3hd0 s GLU 35 CO 0.00 0.24 1.16 -1.25 -0.56 0.00 0.00 175.26 174.85 3hd0 s PRO 36 N 0.19 1.59 -0.02 4.30 0.04 -1.26 -5.04 135.00 134.79 3hd0 s PRO 36 Ca -0.14 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 60.62 3hd0 s PRO 36 Cb -0.17 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 3hd0 s PRO 36 CO 0.07 -1.74 -0.01 0.39 0.04 0.00 0.00 177.00 175.75 3hd0 n GLU 37 N -3.29 0.95 -4.02 4.56 1.02 -1.26 -4.62 120.64 113.98 3hd0 n GLU 37 Ca 0.11 0.01 -0.35 0.00 -0.02 0.00 0.00 57.16 56.91 3hd0 n GLU 37 Cb 0.60 -1.04 -0.14 0.00 -0.02 0.00 0.00 31.44 30.84 3hd0 n GLU 37 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3hd0 s TYR 38 N -2.04 2.94 -0.08 -0.32 1.51 -1.26 0.28 117.35 118.39 3hd0 s TYR 38 Ca -0.02 -0.90 0.03 0.00 -1.01 0.00 0.00 57.07 55.17 3hd0 s TYR 38 Cb 0.01 -2.07 0.00 0.00 -0.11 0.00 0.00 41.96 39.79 3hd0 s TYR 38 CO 0.05 -0.50 -0.18 0.54 -1.11 0.00 0.00 175.55 174.35 3hd0 s VAL 39 N 1.31 1.60 0.11 0.71 0.11 -0.14 -0.29 120.40 123.83 3hd0 s VAL 39 Ca 0.04 -0.76 0.03 0.00 -2.93 0.00 0.00 61.98 58.35 3hd0 s VAL 39 Cb -0.14 -1.41 -0.04 0.00 -1.53 0.00 0.00 36.38 33.26 3hd0 s VAL 39 CO -0.03 0.46 0.16 0.00 -3.33 0.00 0.00 175.10 172.36 3hd0 s ALA 40 N 0.43 3.73 0.08 1.54 0.00 -0.05 -0.41 121.76 127.07 3hd0 s ALA 40 Ca -0.15 -1.04 0.10 0.00 0.00 0.00 0.00 51.96 50.87 3hd0 s ALA 40 Cb -0.16 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 3hd0 s ALA 40 CO 0.06 0.66 -0.26 0.20 0.00 0.00 0.00 175.76 176.42 3hd0 s GLY 41 N -2.76 1.47 -0.06 0.00 0.00 -0.43 -0.87 107.32 104.67 3hd0 s GLY 41 Ca 0.32 -1.34 0.04 0.00 0.00 0.00 0.00 44.72 43.74 3hd0 s GLY 41 CO 0.25 -1.26 -0.19 0.14 0.00 0.00 0.00 173.10 172.04 3hd0 s VAL 42 N -0.90 1.57 -0.14 1.40 1.01 -0.85 -1.48 120.40 121.01 3hd0 s VAL 42 Ca 0.13 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 3hd0 s VAL 42 Cb -0.10 -1.36 0.03 0.00 0.00 0.00 0.00 36.38 34.95 3hd0 s VAL 42 CO 0.04 0.45 -0.09 -0.62 0.00 0.00 0.00 175.10 174.87 3hd0 s ASP 43 N 0.16 2.60 -0.30 3.32 2.15 -0.44 -3.97 116.67 120.19 3hd0 s ASP 43 Ca -0.08 -0.50 -0.09 0.00 0.43 0.00 0.00 52.55 52.31 3hd0 s ASP 43 Cb -0.14 -1.00 -0.01 0.00 -0.30 0.00 0.00 42.92 41.48 3hd0 s ASP 43 CO 0.04 -0.12 0.13 -0.76 -0.17 0.00 0.00 175.17 174.29 3hd0 s LEU 44 N 1.59 4.01 0.33 -1.34 1.43 -1.26 -1.55 118.68 121.89 3hd0 s LEU 44 Ca 0.03 -0.54 0.04 0.00 -1.03 0.00 0.00 54.13 52.63 3hd0 s LEU 44 Cb -0.14 -1.97 -0.06 0.00 0.03 0.00 0.00 46.19 44.05 3hd0 s LEU 44 CO -0.09 -0.18 0.06 -0.94 0.23 0.00 0.00 176.35 175.43 3hd0 s SER 45 N 1.59 2.38 -0.54 2.29 1.04 0.14 -4.96 113.70 115.64 3hd0 s SER 45 Ca 0.04 -1.40 0.04 0.00 0.48 0.00 0.00 55.95 55.11 3hd0 s SER 45 Cb -0.17 -0.03 0.16 0.00 0.10 0.00 0.00 66.02 66.08 3hd0 s SER 45 CO 0.05 -0.64 0.39 -0.36 0.98 0.00 0.00 173.24 173.66 3hd0 s PHE 46 N -3.30 2.26 0.57 5.02 0.08 -1.26 0.10 117.98 121.45 3hd0 s PHE 46 Ca 0.35 -2.76 0.25 0.00 0.12 0.00 0.00 56.93 54.90 3hd0 s PHE 46 Cb 0.08 -1.82 1.60 0.00 -0.57 0.00 0.00 43.02 42.31 3hd0 s PHE 46 CO 0.15 -0.70 2.18 -1.35 -0.10 0.00 0.00 175.22 175.40 3hd0 h PRO 47 N 5.73 0.00 0.00 0.24 0.11 -1.88 -3.46 132.00 132.75 3hd0 h PRO 47 Ca 0.17 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.12 3hd0 h PRO 47 Cb 0.85 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.92 3hd0 h PRO 47 CO 0.53 0.00 -0.10 0.41 -0.21 0.00 0.00 178.00 178.64 3hd0 n GLY 48 N -1.42 2.71 0.02 -0.55 0.00 -1.23 -5.04 105.19 99.68 3hd0 n GLY 48 Ca -0.01 -1.54 -0.01 0.00 0.00 0.00 0.00 46.02 44.46 3hd0 n GLY 48 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hd0 h LYS 49 N 0.00 -0.04 -0.56 1.61 3.11 -2.02 -3.07 116.57 115.60 3hd0 h LYS 49 Ca -0.14 0.00 -0.35 0.00 -2.81 0.00 0.00 60.65 57.35 3hd0 h LYS 49 Cb 0.62 0.01 -0.22 0.00 -1.00 0.00 0.00 32.23 31.64 3hd0 h LYS 49 CO 0.19 -0.03 -0.09 0.39 -2.81 0.00 0.00 179.45 177.10 3hd0 n GLU 50 N -2.50 2.39 -4.03 1.90 1.02 -1.26 -4.95 120.64 113.20 3hd0 n GLU 50 Ca -0.00 -3.44 -0.34 0.00 -0.02 0.00 0.00 57.16 53.36 3hd0 n GLU 50 Cb 0.02 -2.01 -0.15 0.00 -0.02 0.00 0.00 31.44 29.28 3hd0 n GLU 50 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3hd0 s GLU 51 N -3.43 3.16 0.20 3.49 2.12 -1.16 -0.11 118.70 122.96 3hd0 s GLU 51 Ca 0.50 -0.74 0.07 0.00 0.36 0.00 0.00 54.97 55.16 3hd0 s GLU 51 Cb 0.43 -2.76 -0.04 0.00 0.26 0.00 0.00 34.13 32.02 3hd0 s GLU 51 CO 0.01 -0.20 0.05 0.20 -0.54 0.00 0.00 175.26 174.78 3hd0 s GLY 52 N 1.37 1.67 -0.01 -1.50 0.00 0.14 -3.02 107.32 105.97 3hd0 s GLY 52 Ca 0.05 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.39 3hd0 s GLY 52 CO -0.09 -1.41 -0.01 -2.27 0.00 0.00 0.00 173.10 169.32 3hd0 s LEU 53 N -3.21 1.75 -0.07 0.66 2.96 0.12 -1.97 118.68 118.92 3hd0 s LEU 53 Ca 0.29 -0.02 0.05 0.00 -0.22 0.00 0.00 54.13 54.23 3hd0 s LEU 53 Cb -0.09 -0.10 -0.00 0.00 0.50 0.00 0.00 46.19 46.50 3hd0 s LEU 53 CO 0.21 -0.02 -0.22 0.00 -1.32 0.00 0.00 176.35 175.00 3hd0 s ALA 54 N 0.27 1.97 -0.08 5.97 0.00 0.14 -0.68 121.76 129.36 3hd0 s ALA 54 Ca -0.02 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.07 3hd0 s ALA 54 Cb -0.04 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.39 3hd0 s ALA 54 CO -0.01 0.31 -0.16 0.08 0.00 0.00 0.00 175.76 175.99 3hd0 s VAL 55 N 0.18 1.41 -0.13 0.00 1.01 -0.60 -1.41 120.40 120.85 3hd0 s VAL 55 Ca -0.12 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.25 3hd0 s VAL 55 Cb -0.16 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 34.98 3hd0 s VAL 55 CO 0.06 0.42 -0.19 -0.63 0.00 0.00 0.00 175.10 174.76 3hd0 s ILE 56 N 0.60 1.81 -0.09 2.22 1.01 -0.35 -1.32 121.20 125.07 3hd0 s ILE 56 Ca -0.15 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.71 3hd0 s ILE 56 Cb -0.16 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 3hd0 s ILE 56 CO 0.05 0.50 -0.19 0.68 0.00 0.00 0.00 174.94 175.98 3hd0 s VAL 57 N 1.00 2.52 -0.18 2.92 -7.23 -0.55 -1.98 120.40 116.90 3hd0 s VAL 57 Ca -0.04 -0.87 -0.09 0.00 -1.81 0.00 0.00 61.98 59.17 3hd0 s VAL 57 Cb -0.15 -1.99 -0.05 0.00 0.56 0.00 0.00 36.38 34.76 3hd0 s VAL 57 CO -0.04 0.55 0.11 -0.69 -0.31 0.00 0.00 175.10 174.72 3hd0 s VAL 58 N 0.07 5.22 0.10 1.32 1.01 0.56 -1.32 120.40 127.37 3hd0 s VAL 58 Ca -0.08 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.09 3hd0 s VAL 58 Cb -0.15 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 3hd0 s VAL 58 CO 0.05 0.48 -0.13 -0.76 0.00 0.00 0.00 175.10 174.74 3hd0 s LEU 59 N 0.13 2.92 0.41 3.92 1.43 0.45 -0.81 118.68 127.13 3hd0 s LEU 59 Ca 0.08 -0.44 -0.25 0.00 -1.03 0.00 0.00 54.13 52.49 3hd0 s LEU 59 Cb -0.12 -1.73 -0.08 0.00 0.03 0.00 0.00 46.19 44.29 3hd0 s LEU 59 CO -0.00 0.18 1.22 -0.70 0.23 0.00 0.00 176.35 177.28 3hd0 s GLU 60 N -2.13 3.97 0.03 1.70 2.12 -0.34 -0.97 118.70 123.08 3hd0 s GLU 60 Ca 0.20 1.96 0.08 0.00 0.36 0.00 0.00 54.97 57.57 3hd0 s GLU 60 Cb -0.11 -2.67 -0.02 0.00 0.26 0.00 0.00 34.13 31.59 3hd0 s GLU 60 CO 0.12 -0.43 -0.23 -0.47 -0.54 0.00 0.00 175.26 173.71 3hd0 s TYR 61 N -1.36 1.99 -0.30 5.30 5.04 0.14 -3.81 117.35 124.35 3hd0 s TYR 61 Ca 0.58 -0.38 0.19 0.00 -2.44 0.00 0.00 57.07 55.02 3hd0 s TYR 61 Cb -0.34 -1.21 0.20 0.00 0.35 0.00 0.00 41.96 40.96 3hd0 s TYR 61 CO 0.42 0.07 1.51 -1.00 -1.34 0.00 0.00 175.55 175.21 3hd0 h PRO 62 N 5.02 0.00 -7.33 4.97 0.13 -1.87 -3.42 132.00 129.50 3hd0 h PRO 62 Ca -0.43 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.21 3hd0 h PRO 62 Cb 1.15 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.42 3hd0 h PRO 62 CO 0.45 0.24 0.27 -1.54 -0.23 0.00 0.00 178.00 177.19 3hd0 s SER 63 N -6.30 3.82 -0.22 1.44 1.04 -1.26 -4.97 113.70 107.25 3hd0 s SER 63 Ca 0.05 1.59 0.14 0.00 0.48 0.00 0.00 55.95 58.21 3hd0 s SER 63 Cb 0.06 -2.28 0.57 0.00 0.10 0.00 0.00 66.02 64.48 3hd0 s SER 63 CO 0.71 -2.44 1.50 0.49 0.98 0.00 0.00 173.24 174.49 3hd0 n PHE 64 N -3.76 1.25 -1.48 5.02 3.72 -1.25 -4.37 117.46 116.59 3hd0 n PHE 64 Ca 0.08 -1.05 -0.50 0.00 -0.05 0.00 0.00 57.45 55.93 3hd0 n PHE 64 Cb 0.55 -0.41 -0.04 0.00 -0.94 0.00 0.00 39.48 38.63 3hd0 n PHE 64 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3hd0 n LYS 65 N -0.52 0.42 -2.61 -1.08 4.81 -1.26 -4.44 118.16 113.48 3hd0 n LYS 65 Ca 0.27 0.15 -0.42 0.00 -0.87 0.00 0.00 58.31 57.44 3hd0 n LYS 65 Cb 1.01 -1.40 -0.03 0.00 0.02 0.00 0.00 35.03 34.63 3hd0 n LYS 65 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3hd0 s ILE 66 N -0.64 4.53 -0.24 3.15 1.01 -1.26 -1.19 121.20 126.56 3hd0 s ILE 66 Ca 0.71 1.84 -0.10 0.00 0.00 0.00 0.00 60.65 63.10 3hd0 s ILE 66 Cb -0.95 -4.18 -0.11 0.00 0.01 0.00 0.00 42.46 37.23 3hd0 s ILE 66 CO 0.56 0.16 -0.29 0.18 0.00 0.00 0.00 174.94 175.54 3hd0 n LEU 67 N 3.79 1.81 -3.86 2.97 4.77 0.01 -4.91 117.00 121.58 3hd0 n LEU 67 Ca 0.07 0.24 -0.12 0.00 -0.03 0.00 0.00 56.01 56.17 3hd0 n LEU 67 Cb 0.49 -0.71 -0.12 0.00 -2.33 0.00 0.00 43.42 40.76 3hd0 n LEU 67 CO 0.53 0.54 -0.23 -0.70 -1.33 0.00 0.00 177.39 176.20 3hd0 s GLU 68 N -2.43 0.26 -0.05 3.23 2.12 -1.17 -4.98 118.70 115.69 3hd0 s GLU 68 Ca -0.33 -0.10 0.01 0.00 0.36 0.00 0.00 54.97 54.91 3hd0 s GLU 68 Cb 0.12 0.11 0.02 0.00 0.26 0.00 0.00 34.13 34.65 3hd0 s GLU 68 CO 0.43 -0.05 -0.04 0.54 -0.54 0.00 0.00 175.26 175.60 3hd0 s VAL 69 N -0.55 0.50 0.09 3.70 0.11 -1.26 -0.32 120.40 122.67 3hd0 s VAL 69 Ca -0.06 -0.09 0.08 0.00 -2.93 0.00 0.00 61.98 58.98 3hd0 s VAL 69 Cb -0.04 -0.54 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 3hd0 s VAL 69 CO 0.00 0.22 -0.21 0.68 -3.33 0.00 0.00 175.10 172.46 3hd0 s VAL 70 N 1.01 1.76 0.21 2.04 -7.23 -0.84 -5.01 120.40 112.34 3hd0 s VAL 70 Ca -0.10 -1.48 -0.00 0.00 -1.81 0.00 0.00 61.98 58.59 3hd0 s VAL 70 Cb -0.14 -1.58 -0.04 0.00 0.56 0.00 0.00 36.38 35.18 3hd0 s VAL 70 CO -0.01 0.02 0.11 -0.94 -0.31 0.00 0.00 175.10 173.98 3hd0 s SER 71 N -1.74 0.40 -0.25 4.85 1.04 -1.26 -1.21 113.70 115.52 3hd0 s SER 71 Ca 0.07 -1.37 -0.25 0.00 0.48 0.00 0.00 55.95 54.89 3hd0 s SER 71 Cb -0.10 0.32 0.07 0.00 0.10 0.00 0.00 66.02 66.42 3hd0 s SER 71 CO 0.04 -0.80 0.70 -0.70 0.98 0.00 0.00 173.24 173.46 3hd0 s GLU 72 N -4.12 0.83 0.31 4.02 2.56 -0.50 -4.83 118.70 116.97 3hd0 s GLU 72 Ca 0.37 0.94 0.07 0.00 0.00 0.00 0.00 54.97 56.35 3hd0 s GLU 72 Cb 0.07 0.41 -0.02 0.00 2.00 0.00 0.00 34.13 36.59 3hd0 s GLU 72 CO 0.11 -0.11 0.35 1.03 -0.56 0.00 0.00 175.26 176.09 3hd0 s ARG 73 N 0.30 3.01 -0.28 4.30 0.52 -1.26 -0.68 118.95 124.85 3hd0 s ARG 73 Ca -0.01 -1.07 -0.38 0.00 -0.52 0.00 0.00 55.73 53.75 3hd0 s ARG 73 Cb -0.05 -2.68 0.16 0.00 0.52 0.00 0.00 34.95 32.90 3hd0 s ARG 73 CO 0.01 0.19 1.37 0.20 0.02 0.00 0.00 175.30 177.09 3hd0 s GLY 74 N -4.03 -0.20 0.21 -3.53 0.00 -0.83 -4.98 107.32 93.96 3hd0 s GLY 74 Ca 0.40 1.91 -0.19 0.00 0.00 0.00 0.00 44.72 46.85 3hd0 s GLY 74 CO 0.28 0.64 0.70 -1.83 0.00 0.00 0.00 173.10 172.90 3hd0 s GLU 75 N -2.04 4.21 -0.32 2.90 -1.05 -1.26 0.28 118.70 121.41 3hd0 s GLU 75 Ca 0.12 0.81 -0.08 0.00 -0.15 0.00 0.00 54.97 55.67 3hd0 s GLU 75 Cb -0.01 -2.87 0.02 0.00 -0.44 0.00 0.00 34.13 30.83 3hd0 s GLU 75 CO -0.03 0.40 0.12 0.42 0.95 0.00 0.00 175.26 177.12 3hd0 s ILE 76 N -1.53 4.10 -0.14 1.83 -1.09 0.84 -4.80 121.20 120.41 3hd0 s ILE 76 Ca 0.43 -0.81 0.18 0.00 -2.23 0.00 0.00 60.65 58.22 3hd0 s ILE 76 Cb -0.16 -3.20 -0.27 0.00 -1.58 0.00 0.00 42.46 37.25 3hd0 s ILE 76 CO 0.21 -0.05 0.19 0.35 -1.23 0.00 0.00 174.94 174.41 3hd0 n THR 77 N 4.89 0.91 -2.95 2.92 -2.24 -1.26 -4.76 114.28 111.79 3hd0 n THR 77 Ca -0.13 -0.71 -0.40 0.00 -2.27 0.00 0.00 64.05 60.53 3hd0 n THR 77 Cb 0.47 -0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 68.33 3hd0 n THR 77 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3hd0 s PHE 78 N -2.78 3.72 0.43 4.78 5.36 -1.26 -5.02 117.98 123.21 3hd0 s PHE 78 Ca -0.09 1.49 -0.26 0.00 -0.96 0.00 0.00 56.93 57.12 3hd0 s PHE 78 Cb 0.08 -2.86 -0.09 0.00 -0.34 0.00 0.00 43.02 39.81 3hd0 s PHE 78 CO 0.82 0.23 1.42 -2.14 -1.46 0.00 0.00 175.22 174.08 3hd0 s PRO 79 N 0.12 3.80 -0.24 10.12 0.02 -1.26 -4.73 135.00 142.83 3hd0 s PRO 79 Ca 0.40 2.40 -0.28 0.00 0.02 0.00 0.00 61.00 63.53 3hd0 s PRO 79 Cb -0.20 -2.72 -0.04 0.00 0.02 0.00 0.00 34.50 31.56 3hd0 s PRO 79 CO 0.23 -0.72 1.95 -0.47 -0.33 0.00 0.00 177.00 177.66 3hd0 s TYR 80 N -1.20 1.56 -0.13 6.54 5.04 -1.26 -4.83 117.35 123.07 3hd0 s TYR 80 Ca 0.59 0.50 -0.02 0.00 -2.44 0.00 0.00 57.07 55.70 3hd0 s TYR 80 Cb -0.43 -4.04 0.04 0.00 0.35 0.00 0.00 41.96 37.88 3hd0 s TYR 80 CO 0.56 -3.58 -0.00 0.42 -1.34 0.00 0.00 175.55 171.61 3hd0 s ILE 81 N 7.02 0.61 0.24 3.14 1.01 -1.26 -5.12 121.20 126.85 3hd0 s ILE 81 Ca 0.87 -0.28 -0.31 0.00 0.00 0.00 0.00 60.65 60.94 3hd0 s ILE 81 Cb -0.28 -0.88 -0.13 0.00 0.01 0.00 0.00 42.46 41.17 3hd0 s ILE 81 CO 0.34 0.09 1.38 -2.65 0.00 0.00 0.00 174.94 174.11 3hd0 n PRO 82 N 5.05 1.99 -0.64 2.79 -0.02 -1.26 -1.03 135.00 141.88 3hd0 n PRO 82 Ca -0.09 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3hd0 n PRO 82 Cb 0.49 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3hd0 n PRO 82 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hd0 n GLY 83 N 2.07 0.76 0.55 -1.23 0.00 -1.26 -4.86 105.19 101.22 3hd0 n GLY 83 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3hd0 n GLY 83 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hd0 n LEU 84 N 0.00 0.04 0.23 0.99 7.94 -0.19 -4.90 117.00 121.11 3hd0 n LEU 84 Ca 0.00 -1.06 0.11 0.00 -1.11 0.00 0.00 56.01 53.95 3hd0 n LEU 84 Cb 0.00 0.00 0.46 0.00 0.53 0.00 0.00 43.42 44.41 3hd0 n LEU 84 CO 0.00 0.37 0.82 -0.07 -1.11 0.00 0.00 177.39 177.41 3hd0 h LEU 85 N 0.05 0.00 -2.45 -1.96 3.38 -1.89 -2.74 115.31 109.71 3hd0 h LEU 85 Ca -0.02 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3hd0 h LEU 85 Cb 1.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 3hd0 h LEU 85 CO 0.00 0.18 0.10 0.00 0.09 0.00 0.00 178.44 178.81 3hd0 h ALA 86 N 1.82 1.52 0.00 1.53 0.00 -1.93 -2.22 119.26 119.98 3hd0 h ALA 86 Ca -0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3hd0 h ALA 86 Cb 0.76 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3hd0 h ALA 86 CO 0.02 -0.13 -0.26 0.74 0.00 0.00 0.00 179.25 179.62 3hd0 h PHE 87 N 0.00 0.00 0.00 0.00 -1.00 -1.90 0.52 116.94 114.56 3hd0 h PHE 87 Ca 0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.81 3hd0 h PHE 87 Cb 0.23 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.79 3hd0 h PHE 87 CO 0.00 0.21 -1.65 2.89 -1.61 0.00 0.00 178.31 178.15 3hd0 n ARG 88 N -3.13 0.61 -0.00 1.51 1.85 -0.88 -4.56 116.66 112.06 3hd0 n ARG 88 Ca 0.03 -0.10 0.01 0.00 -1.00 0.00 0.00 57.85 56.79 3hd0 n ARG 88 Cb 0.62 -1.61 -0.01 0.00 -1.05 0.00 0.00 32.46 30.41 3hd0 n ARG 88 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 3hd0 n GLU 89 N -2.34 4.38 -0.03 2.89 0.28 -0.91 -4.79 120.64 120.13 3hd0 n GLU 89 Ca -0.02 -0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.83 3hd0 n GLU 89 Cb 0.55 -0.72 -0.09 0.00 1.43 0.00 0.00 31.44 32.61 3hd0 n GLU 89 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 3hd0 h GLY 90 N 0.26 -1.12 0.37 -1.84 0.00 -0.16 -1.83 103.07 98.76 3hd0 h GLY 90 Ca 0.00 0.69 0.14 0.00 0.00 0.00 0.00 47.33 48.16 3hd0 h GLY 90 CO 0.00 -0.21 0.63 -2.55 0.00 0.00 0.00 176.54 174.41 3hd0 h PRO 91 N -0.52 0.91 -0.19 4.80 0.11 -1.85 -0.88 132.00 134.38 3hd0 h PRO 91 Ca 0.03 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 3hd0 h PRO 91 Cb 0.63 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 3hd0 h PRO 91 CO -0.43 0.60 0.02 -0.07 -0.21 0.00 0.00 178.00 177.91 3hd0 h LEU 92 N 0.93 0.30 -0.37 2.35 3.38 -1.87 -2.48 115.31 117.56 3hd0 h LEU 92 Ca 0.52 -0.27 0.07 0.00 0.09 0.00 0.00 57.88 58.29 3hd0 h LEU 92 Cb 0.61 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 3hd0 h LEU 92 CO -0.30 0.50 -0.06 0.15 0.09 0.00 0.00 178.44 178.82 3hd0 h PHE 93 N 0.10 -0.14 0.00 1.13 3.57 -0.29 -2.23 116.94 119.08 3hd0 h PHE 93 Ca 0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3hd0 h PHE 93 Cb 0.33 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.19 3hd0 h PHE 93 CO 0.02 -0.13 -0.22 1.37 -2.23 0.00 0.00 178.31 177.12 3hd0 h LEU 94 N 0.03 0.00 -0.35 0.59 -0.00 -1.34 0.35 115.31 114.60 3hd0 h LEU 94 Ca 0.18 -0.06 -0.03 0.00 -0.00 0.00 0.00 57.88 57.97 3hd0 h LEU 94 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.91 3hd0 h LEU 94 CO -0.36 0.03 0.10 0.11 -0.00 0.00 0.00 178.44 178.32 3hd0 h LYS 95 N 0.00 0.55 -0.41 0.17 1.57 -1.02 -1.39 116.57 116.03 3hd0 h LYS 95 Ca 0.00 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 3hd0 h LYS 95 Cb 0.78 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 3hd0 h LYS 95 CO 0.00 0.59 0.10 0.00 -0.57 0.00 0.00 179.45 179.56 3hd0 h ALA 96 N 0.94 0.54 -0.99 3.86 0.00 -0.88 -2.62 119.26 120.12 3hd0 h ALA 96 Ca 0.11 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 55.03 3hd0 h ALA 96 Cb 0.28 -0.16 -0.10 0.00 0.00 0.00 0.00 17.79 17.81 3hd0 h ALA 96 CO -0.00 0.22 0.62 2.35 0.00 0.00 0.00 179.25 182.44 3hd0 h TRP 97 N 0.53 0.90 -0.49 0.00 2.91 -0.85 -1.38 115.95 117.56 3hd0 h TRP 97 Ca 0.13 0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.22 3hd0 h TRP 97 Cb 0.32 -0.27 -0.03 0.00 -0.51 0.00 0.00 29.16 28.67 3hd0 h TRP 97 CO 0.02 0.19 0.33 1.49 -1.03 0.00 0.00 178.44 179.43 3hd0 h GLU 98 N 0.63 0.50 -0.44 2.65 4.57 -0.85 -1.84 114.58 119.79 3hd0 h GLU 98 Ca 0.56 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.71 3hd0 h GLU 98 Cb 1.06 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.53 3hd0 h GLU 98 CO -0.33 0.33 0.00 0.36 -1.18 0.00 0.00 179.01 178.19 3hd0 n LYS 99 N -4.47 2.03 -2.17 1.92 2.85 -0.52 -4.92 118.16 112.87 3hd0 n LYS 99 Ca 0.06 -1.59 -0.37 0.00 -1.05 0.00 0.00 58.31 55.36 3hd0 n LYS 99 Cb 0.18 -1.35 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 3hd0 n LYS 99 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3hd0 s LEU 100 N -1.01 3.93 -0.14 -5.58 1.43 -0.69 -4.96 118.68 111.66 3hd0 s LEU 100 Ca 0.29 2.36 0.11 0.00 -1.03 0.00 0.00 54.13 55.86 3hd0 s LEU 100 Cb 0.15 -4.32 -0.23 0.00 0.03 0.00 0.00 46.19 41.82 3hd0 s LEU 100 CO 0.20 -1.10 0.28 0.54 0.23 0.00 0.00 176.35 176.50 3hd0 n ARG 101 N -0.75 0.67 -4.68 1.70 5.12 -1.26 -4.92 116.66 112.54 3hd0 n ARG 101 Ca 0.09 0.16 -0.27 0.00 -1.93 0.00 0.00 57.85 55.89 3hd0 n ARG 101 Cb 0.48 -1.64 -0.14 0.00 -1.16 0.00 0.00 32.46 30.00 3hd0 n ARG 101 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3hd0 s THR 102 N -2.54 1.85 0.15 0.55 2.01 -1.26 -5.14 115.64 111.25 3hd0 s THR 102 Ca -0.13 -1.31 -0.30 0.00 0.31 0.00 0.00 61.69 60.26 3hd0 s THR 102 Cb 0.07 -1.60 -0.07 0.00 0.01 0.00 0.00 72.50 70.91 3hd0 s THR 102 CO 0.79 0.23 0.94 -0.54 -0.69 0.00 0.00 174.62 175.35 3hd0 s LYS 103 N -1.30 4.73 0.80 4.92 1.02 -1.26 -5.07 119.74 123.58 3hd0 s LYS 103 Ca 0.09 1.43 -0.11 0.00 0.02 0.00 0.00 55.97 57.40 3hd0 s LYS 103 Cb -0.09 -3.34 0.08 0.00 -0.52 0.00 0.00 37.83 33.95 3hd0 s LYS 103 CO 0.02 0.32 1.16 -1.25 -0.92 0.00 0.00 175.35 174.68 3hd0 s PRO 104 N -0.39 1.98 -0.07 -1.68 0.05 -1.26 -4.97 135.00 128.65 3hd0 s PRO 104 Ca 0.44 0.06 0.12 0.00 0.05 0.00 0.00 61.00 61.67 3hd0 s PRO 104 Cb -0.24 -1.98 -0.23 0.00 0.05 0.00 0.00 34.50 32.10 3hd0 s PRO 104 CO 0.30 -1.56 0.55 -0.25 0.05 0.00 0.00 177.00 176.08 3hd0 n ASP 105 N -3.27 0.81 -3.76 6.66 8.00 0.61 -4.92 116.55 120.67 3hd0 n ASP 105 Ca 0.08 0.34 -0.13 0.00 0.71 0.00 0.00 54.79 55.79 3hd0 n ASP 105 Cb 0.61 0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.67 3hd0 n ASP 105 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hd0 s VAL 106 N -2.58 0.02 -0.13 2.53 1.01 -1.19 -4.09 120.40 115.98 3hd0 s VAL 106 Ca -0.07 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.73 3hd0 s VAL 106 Cb 0.08 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.94 3hd0 s VAL 106 CO 0.82 -0.11 -0.17 -0.69 0.00 0.00 0.00 175.10 174.95 3hd0 s VAL 107 N -0.46 1.71 -0.14 2.92 1.01 -0.41 -0.87 120.40 124.16 3hd0 s VAL 107 Ca -0.06 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 3hd0 s VAL 107 Cb -0.04 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 3hd0 s VAL 107 CO 0.02 0.48 -0.00 -0.69 0.00 0.00 0.00 175.10 174.91 3hd0 s VAL 108 N 1.05 4.24 0.25 2.92 1.01 -0.05 -0.94 120.40 128.89 3hd0 s VAL 108 Ca -0.04 -0.24 0.11 0.00 0.00 0.00 0.00 61.98 61.81 3hd0 s VAL 108 Cb -0.15 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 3hd0 s VAL 108 CO -0.04 0.52 -0.18 -0.36 0.00 0.00 0.00 175.10 175.04 3hd0 s PHE 109 N -0.04 2.35 -0.80 5.22 0.08 -0.34 -2.00 117.98 122.45 3hd0 s PHE 109 Ca 0.03 -0.32 -0.17 0.00 0.12 0.00 0.00 56.93 56.59 3hd0 s PHE 109 Cb -0.13 -1.06 0.15 0.00 -0.57 0.00 0.00 43.02 41.41 3hd0 s PHE 109 CO 0.02 0.65 0.90 0.34 -0.10 0.00 0.00 175.22 177.03 3hd0 s ASP 110 N -3.30 6.55 0.00 1.36 3.68 -1.26 -0.70 116.67 123.01 3hd0 s ASP 110 Ca 0.28 -2.07 0.00 0.00 2.13 0.00 0.00 52.55 52.89 3hd0 s ASP 110 Cb -0.06 -2.32 0.00 0.00 -1.45 0.00 0.00 42.92 39.09 3hd0 s ASP 110 CO 0.14 -0.93 0.00 0.61 0.13 0.00 0.00 175.17 175.12 3hd0 n GLY 111 N 4.95 -0.55 0.00 2.66 0.00 -0.94 -4.93 105.19 106.38 3hd0 n GLY 111 Ca 0.12 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3hd0 n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hd0 n GLN 112 N 0.00 0.33 0.00 1.61 0.00 -1.26 -2.18 117.38 115.88 3hd0 n GLN 112 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 3hd0 n GLN 112 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3hd0 n GLN 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hd0 n GLY 113 N 0.49 0.62 0.37 2.61 0.00 -1.26 -1.53 105.19 106.49 3hd0 n GLY 113 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 45.99 3hd0 n GLY 113 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hd0 h LEU 114 N 0.00 1.07 -7.98 0.99 5.85 -1.16 0.54 115.31 114.62 3hd0 h LEU 114 Ca 0.00 -0.00 -0.46 0.00 0.84 0.00 0.00 57.88 58.26 3hd0 h LEU 114 Cb 0.00 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.74 3hd0 h LEU 114 CO 0.00 0.71 1.44 0.00 -0.34 0.00 0.00 178.44 180.24 3hd0 s ALA 115 N -6.05 2.35 -0.21 1.25 0.00 -1.23 -4.17 121.76 113.69 3hd0 s ALA 115 Ca -0.13 -2.34 -0.27 0.00 0.00 0.00 0.00 51.96 49.23 3hd0 s ALA 115 Cb 0.20 -4.64 0.09 0.00 0.00 0.00 0.00 23.12 18.76 3hd0 s ALA 115 CO 0.81 -4.44 0.82 -1.58 0.00 0.00 0.00 175.76 171.37 3hd0 s HIS 116 N 8.26 -0.64 0.34 0.00 5.65 -1.25 -4.61 115.29 123.03 3hd0 s HIS 116 Ca 0.62 1.43 0.13 0.00 0.25 0.00 0.00 55.06 57.49 3hd0 s HIS 116 Cb 0.00 0.34 1.00 0.00 -1.18 0.00 0.00 32.58 32.74 3hd0 s HIS 116 CO 0.08 -0.39 1.70 -1.00 -0.65 0.00 0.00 174.74 174.48 3hd0 h PRO 117 N 4.11 0.44 -0.55 2.88 0.13 -1.93 0.60 132.00 137.69 3hd0 h PRO 117 Ca -0.27 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.77 3hd0 h PRO 117 Cb 1.16 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 3hd0 h PRO 117 CO 0.16 0.29 0.06 0.54 -0.23 0.00 0.00 178.00 178.83 3hd0 n ARG 118 N -4.94 4.15 -4.05 0.86 3.00 -1.26 -4.95 116.66 109.47 3hd0 n ARG 118 Ca 0.29 -3.09 -0.30 0.00 -0.01 0.00 0.00 57.85 54.74 3hd0 n ARG 118 Cb 0.87 -2.16 -0.01 0.00 0.00 0.00 0.00 32.46 31.15 3hd0 n ARG 118 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3hd0 n LYS 119 N 0.15 -3.63 -2.82 5.56 5.02 0.21 -4.77 118.16 117.89 3hd0 n LYS 119 Ca 0.30 0.43 -0.11 0.00 -2.02 0.00 0.00 58.31 56.91 3hd0 n LYS 119 Cb 1.18 -4.91 0.05 0.00 -0.02 0.00 0.00 35.03 31.33 3hd0 n LYS 119 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3hd0 n LEU 120 N -4.43 -2.06 -4.40 -0.35 -0.00 -1.22 -4.73 117.00 99.81 3hd0 n LEU 120 Ca -0.11 -3.75 -0.30 0.00 -0.00 0.00 0.00 56.01 51.85 3hd0 n LEU 120 Cb 0.59 0.85 0.27 0.00 -0.00 0.00 0.00 43.42 45.13 3hd0 n LEU 120 CO 0.79 2.07 0.48 -0.83 -0.00 0.00 0.00 177.39 179.90 3hd0 s GLY 121 N -1.54 1.47 0.12 -3.96 0.00 0.19 -4.64 107.32 98.96 3hd0 s GLY 121 Ca 0.29 -0.78 -0.22 0.00 0.00 0.00 0.00 44.72 44.01 3hd0 s GLY 121 CO -0.14 0.16 1.69 1.19 0.00 0.00 0.00 173.10 176.00 3hd0 h ILE 122 N -3.10 0.70 -0.95 0.90 6.09 -1.59 0.95 117.51 120.50 3hd0 h ILE 122 Ca -0.46 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.03 3hd0 h ILE 122 Cb 1.33 0.70 -0.05 0.00 0.47 0.00 0.00 36.82 39.27 3hd0 h ILE 122 CO 0.33 0.00 0.61 0.00 -3.07 0.00 0.00 178.15 176.01 3hd0 h ALA 123 N 0.94 1.27 -0.14 0.18 0.00 -1.61 -1.76 119.26 118.14 3hd0 h ALA 123 Ca 0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3hd0 h ALA 123 Cb 0.25 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3hd0 h ALA 123 CO -0.19 0.65 -0.05 0.77 0.00 0.00 0.00 179.25 180.44 3hd0 h SER 124 N 1.30 0.29 0.00 0.00 0.02 -1.52 -1.14 113.55 112.50 3hd0 h SER 124 Ca 0.35 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3hd0 h SER 124 Cb -0.11 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.35 3hd0 h SER 124 CO -0.07 0.61 0.00 1.57 -1.14 0.00 0.00 176.83 177.80 3hd0 n HIS 125 N -4.69 0.00 0.00 3.45 -0.00 0.25 -2.50 115.22 111.73 3hd0 n HIS 125 Ca -0.06 -0.06 0.00 0.00 -0.00 0.00 0.00 57.72 57.60 3hd0 n HIS 125 Cb 0.27 -0.08 0.00 0.00 -0.00 0.00 0.00 29.99 30.18 3hd0 n HIS 125 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3hd0 n GLY 127 N 0.62 0.00 0.25 1.57 0.00 -0.43 -2.83 105.19 104.37 3hd0 n GLY 127 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 3hd0 n GLY 127 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hd0 h LEU 128 N 0.00 -0.50 0.16 0.99 4.07 -1.76 0.53 115.31 118.80 3hd0 h LEU 128 Ca 0.00 0.19 -0.01 0.00 0.08 0.00 0.00 57.88 58.14 3hd0 h LEU 128 Cb 0.00 0.37 0.00 0.00 1.08 0.00 0.00 40.66 42.11 3hd0 h LEU 128 CO 0.00 -0.19 -0.08 -0.26 -1.08 0.00 0.00 178.44 176.83 3hd0 h PHE 129 N 0.04 -0.20 0.00 1.13 0.04 -1.82 -3.33 116.94 112.79 3hd0 h PHE 129 Ca 0.33 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.10 3hd0 h PHE 129 Cb 0.53 0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.74 3hd0 h PHE 129 CO -0.48 0.12 0.00 -0.84 -0.60 0.00 0.00 178.31 176.51 3hd0 h ILE 130 N -0.53 0.00 -2.07 -0.55 3.07 -1.77 -3.48 117.51 112.17 3hd0 h ILE 130 Ca -0.02 -0.94 -0.28 0.00 1.55 0.00 0.00 64.86 65.17 3hd0 h ILE 130 Cb 0.41 1.93 -0.01 0.00 -0.27 0.00 0.00 36.82 38.88 3hd0 h ILE 130 CO 0.04 0.00 -0.37 -0.62 -1.05 0.00 0.00 178.15 176.15 3hd0 n GLU 131 N -3.05 -1.21 -4.18 0.16 -0.58 0.18 -5.03 120.64 106.93 3hd0 n GLU 131 Ca 0.04 0.69 -0.14 0.00 -0.42 0.00 0.00 57.16 57.33 3hd0 n GLU 131 Cb 0.51 -4.98 -0.11 0.00 -0.57 0.00 0.00 31.44 26.29 3hd0 n GLU 131 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 3hd0 s ILE 132 N -2.72 0.90 0.24 -3.67 -0.00 -1.26 -5.10 121.20 109.60 3hd0 s ILE 132 Ca 0.01 -1.71 -0.31 0.00 -0.00 0.00 0.00 60.65 58.63 3hd0 s ILE 132 Cb -0.00 -1.43 -0.13 0.00 -0.00 0.00 0.00 42.46 40.89 3hd0 s ILE 132 CO 0.01 -0.63 1.40 -2.65 -0.00 0.00 0.00 174.94 173.08 3hd0 n PRO 133 N 0.41 2.02 -4.34 0.37 -0.02 -1.26 -4.76 135.00 127.43 3hd0 n PRO 133 Ca -0.15 0.72 -0.24 0.00 -2.02 0.00 0.00 63.50 61.82 3hd0 n PRO 133 Cb 0.58 -2.38 -0.12 0.00 -0.02 0.00 0.00 33.50 31.57 3hd0 n PRO 133 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hd0 s THR 134 N -0.07 1.91 -0.02 3.45 -4.23 -0.62 -1.29 115.64 114.77 3hd0 s THR 134 Ca 0.68 -1.84 0.03 0.00 -1.18 0.00 0.00 61.69 59.38 3hd0 s THR 134 Cb -0.65 -1.83 -0.00 0.00 1.34 0.00 0.00 72.50 71.35 3hd0 s THR 134 CO 0.50 -0.20 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.64 3hd0 s ILE 135 N -1.72 0.88 -0.17 2.99 1.01 -0.11 -1.02 121.20 123.06 3hd0 s ILE 135 Ca 0.14 -0.46 -0.08 0.00 0.00 0.00 0.00 60.65 60.26 3hd0 s ILE 135 Cb -0.07 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 3hd0 s ILE 135 CO 0.07 0.26 0.11 -0.83 0.00 0.00 0.00 174.94 174.54 3hd0 s GLY 136 N -0.10 2.02 -0.14 6.18 0.00 0.23 -1.20 107.32 114.32 3hd0 s GLY 136 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.04 3hd0 s GLY 136 CO -0.00 -0.05 -0.14 0.14 0.00 0.00 0.00 173.10 173.05 3hd0 s VAL 137 N -0.06 1.54 0.16 1.40 1.01 0.13 -0.59 120.40 124.00 3hd0 s VAL 137 Ca 0.09 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.53 3hd0 s VAL 137 Cb -0.12 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 3hd0 s VAL 137 CO 0.00 0.45 -0.07 0.00 0.00 0.00 0.00 175.10 175.48 3hd0 s ALA 138 N 1.44 3.01 -0.70 5.51 0.00 0.20 -2.21 121.76 129.01 3hd0 s ALA 138 Ca 0.04 -1.40 0.26 0.00 0.00 0.00 0.00 51.96 50.85 3hd0 s ALA 138 Cb -0.13 -0.83 0.68 0.00 0.00 0.00 0.00 23.12 22.84 3hd0 s ALA 138 CO -0.10 0.51 1.65 1.63 0.00 0.00 0.00 175.76 179.45 3hd0 n LYS 139 N 0.14 0.27 -3.81 0.00 5.02 -1.26 -0.57 118.16 117.96 3hd0 n LYS 139 Ca -0.11 0.18 -0.12 0.00 -2.02 0.00 0.00 58.31 56.24 3hd0 n LYS 139 Cb 0.55 -1.78 -0.09 0.00 -0.02 0.00 0.00 35.03 33.69 3hd0 n LYS 139 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3hd0 s SER 140 N -4.47 -0.08 0.06 4.39 0.15 -1.26 -4.83 113.70 107.65 3hd0 s SER 140 Ca 0.09 -0.09 -0.31 0.00 0.70 0.00 0.00 55.95 56.35 3hd0 s SER 140 Cb 0.12 0.27 -0.08 0.00 -1.71 0.00 0.00 66.02 64.62 3hd0 s SER 140 CO 0.63 -0.44 1.72 -0.60 1.20 0.00 0.00 173.24 175.74 3hd0 s ARG 141 N -1.57 4.18 -0.14 5.44 3.52 -1.26 -4.85 118.95 124.28 3hd0 s ARG 141 Ca -0.13 2.39 0.05 0.00 -0.13 0.00 0.00 55.73 57.92 3hd0 s ARG 141 Cb -0.05 -3.70 -0.12 0.00 -1.56 0.00 0.00 34.95 29.52 3hd0 s ARG 141 CO 0.02 -0.79 -0.06 1.28 -0.81 0.00 0.00 175.30 174.95 3hd0 n LEU 142 N 5.98 1.64 -3.76 -0.88 4.77 -1.26 -5.07 117.00 118.41 3hd0 n LEU 142 Ca 0.17 -0.04 -0.13 0.00 -0.03 0.00 0.00 56.01 55.97 3hd0 n LEU 142 Cb 0.40 -0.16 -0.09 0.00 -2.33 0.00 0.00 43.42 41.24 3hd0 n LEU 142 CO 0.64 0.55 0.02 -0.47 -1.33 0.00 0.00 177.39 176.79 3hd0 s TYR 143 N -2.30 -0.24 0.00 -1.77 5.04 -1.26 -5.08 117.35 111.75 3hd0 s TYR 143 Ca -0.14 0.45 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 3hd0 s TYR 143 Cb 0.04 0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.46 3hd0 s TYR 143 CO 0.41 -0.33 0.00 0.41 -1.34 0.00 0.00 175.55 174.70 3hd0 n GLY 144 N 1.74 -0.69 3.62 8.97 0.00 -1.26 -4.89 105.19 112.67 3hd0 n GLY 144 Ca -0.19 -1.67 -0.26 0.00 0.00 0.00 0.00 46.02 43.90 3hd0 n GLY 144 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hd0 s THR 145 N -2.34 3.41 -0.01 2.61 -4.23 0.24 -4.85 115.64 110.47 3hd0 s THR 145 Ca 0.00 -1.67 -0.29 0.00 -1.18 0.00 0.00 61.69 58.55 3hd0 s THR 145 Cb 0.00 -2.74 0.10 0.00 1.34 0.00 0.00 72.50 71.20 3hd0 s THR 145 CO 0.00 -0.19 0.87 0.72 -0.54 0.00 0.00 174.62 175.48 3hd0 s PHE 146 N -1.90 -0.37 0.00 3.99 -0.71 -1.26 0.28 117.98 118.00 3hd0 s PHE 146 Ca 0.28 0.28 0.00 0.00 -1.04 0.00 0.00 56.93 56.45 3hd0 s PHE 146 Cb -0.08 0.53 0.00 0.00 -1.21 0.00 0.00 43.02 42.26 3hd0 s PHE 146 CO 0.18 -0.55 0.00 1.63 -1.34 0.00 0.00 175.22 175.13 3hd0 n LYS 147 N -0.14 0.00 -4.45 1.99 5.02 -1.26 -5.09 118.16 114.23 3hd0 n LYS 147 Ca -0.10 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.94 3hd0 n LYS 147 Cb 0.62 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.53 3hd0 n LYS 147 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3hd0 s PRO 149 N 1.99 1.97 0.74 1.97 0.02 -1.26 -4.74 135.00 135.69 3hd0 s PRO 149 Ca 0.00 -1.89 -0.15 0.00 0.02 0.00 0.00 61.00 58.98 3hd0 s PRO 149 Cb 0.00 -1.80 0.03 0.00 0.02 0.00 0.00 34.50 32.76 3hd0 s PRO 149 CO 0.00 0.09 1.13 0.39 -0.33 0.00 0.00 177.00 178.28 3hd0 n GLU 150 N -0.92 0.50 0.19 5.54 -0.58 -1.26 -4.93 120.64 119.19 3hd0 n GLU 150 Ca -0.04 0.23 0.03 0.00 -0.42 0.00 0.00 57.16 56.96 3hd0 n GLU 150 Cb 0.64 -2.37 0.39 0.00 -0.57 0.00 0.00 31.44 29.53 3hd0 n GLU 150 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 3hd0 h ASP 151 N -0.36 0.00 -2.07 1.62 3.58 -2.00 -3.43 116.42 113.75 3hd0 h ASP 151 Ca -0.48 0.00 -0.62 0.00 0.42 0.00 0.00 57.03 56.36 3hd0 h ASP 151 Cb 1.32 0.00 0.14 0.00 1.72 0.00 0.00 39.33 42.51 3hd0 h ASP 151 CO 0.48 0.33 -0.44 1.17 -2.88 0.00 0.00 179.24 177.90 3hd0 n LYS 152 N -4.10 0.50 -2.03 0.28 4.81 -1.26 -4.45 118.16 111.91 3hd0 n LYS 152 Ca -0.02 0.18 -0.41 0.00 -0.87 0.00 0.00 58.31 57.19 3hd0 n LYS 152 Cb 0.38 -1.40 -0.02 0.00 0.02 0.00 0.00 35.03 34.01 3hd0 n LYS 152 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3hd0 s ARG 153 N -1.41 4.28 0.00 1.64 3.52 -1.26 -2.62 118.95 123.10 3hd0 s ARG 153 Ca 0.62 2.30 0.00 0.00 -0.13 0.00 0.00 55.73 58.52 3hd0 s ARG 153 Cb -0.67 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 29.64 3hd0 s ARG 153 CO 0.59 -0.35 0.00 0.00 -0.81 0.00 0.00 175.30 174.72 3hd0 s SER 155 N -3.17 4.29 0.21 0.00 0.01 -1.08 -4.79 113.70 109.17 3hd0 s SER 155 Ca 0.00 2.10 -0.15 0.00 1.31 0.00 0.00 55.95 59.21 3hd0 s SER 155 Cb 0.00 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.68 3hd0 s SER 155 CO 0.00 -2.19 0.49 -1.66 0.41 0.00 0.00 173.24 170.30 3hd0 s TRP 156 N -2.42 0.09 0.13 2.43 1.48 -1.26 -0.96 118.94 118.43 3hd0 s TRP 156 Ca 0.68 -0.45 -0.10 0.00 -1.06 0.00 0.00 56.10 55.17 3hd0 s TRP 156 Cb -0.23 0.29 -0.00 0.00 -1.16 0.00 0.00 33.47 32.38 3hd0 s TRP 156 CO 0.49 -0.94 0.26 -1.54 -4.06 0.00 0.00 176.95 171.17 3hd0 s SER 157 N -2.93 0.04 0.49 -2.66 1.04 -0.69 -4.69 113.70 104.30 3hd0 s SER 157 Ca 0.14 -0.74 -0.14 0.00 0.48 0.00 0.00 55.95 55.69 3hd0 s SER 157 Cb -0.01 0.41 -0.07 0.00 0.10 0.00 0.00 66.02 66.45 3hd0 s SER 157 CO 0.02 -0.83 0.92 -0.31 0.98 0.00 0.00 173.24 174.02 3hd0 s TYR 158 N -3.91 3.47 -0.09 5.02 4.12 -1.26 -0.26 117.35 124.44 3hd0 s TYR 158 Ca 0.11 1.32 0.00 0.00 0.02 0.00 0.00 57.07 58.52 3hd0 s TYR 158 Cb 0.04 -2.68 -0.03 0.00 -1.52 0.00 0.00 41.96 37.77 3hd0 s TYR 158 CO -0.05 -0.32 -0.08 -1.17 0.02 0.00 0.00 175.55 173.95 3hd0 s LEU 159 N -4.12 3.09 0.10 -1.29 2.96 -0.99 -4.42 118.68 114.02 3hd0 s LEU 159 Ca 0.56 -0.10 0.08 0.00 -0.22 0.00 0.00 54.13 54.46 3hd0 s LEU 159 Cb -0.10 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 3hd0 s LEU 159 CO 0.33 0.30 -0.21 -0.31 -1.32 0.00 0.00 176.35 175.14 3hd0 s TYR 160 N -0.42 1.84 -0.14 5.38 2.02 0.14 0.80 117.35 126.97 3hd0 s TYR 160 Ca 0.06 -0.41 -0.12 0.00 -0.37 0.00 0.00 57.07 56.23 3hd0 s TYR 160 Cb -0.12 -1.01 0.04 0.00 -0.40 0.00 0.00 41.96 40.46 3hd0 s TYR 160 CO 0.02 0.21 0.37 0.34 -1.57 0.00 0.00 175.55 174.92 3hd0 s ASP 161 N -1.86 -0.39 -1.36 2.29 2.15 -0.76 0.79 116.67 117.51 3hd0 s ASP 161 Ca 0.07 0.75 0.00 0.00 0.43 0.00 0.00 52.55 53.80 3hd0 s ASP 161 Cb -0.10 0.74 0.00 0.00 -0.30 0.00 0.00 42.92 43.26 3hd0 s ASP 161 CO 0.04 -0.14 0.00 0.61 -0.17 0.00 0.00 175.17 175.51 3hd0 n GLY 162 N 3.10 0.43 2.31 2.66 0.00 -1.26 -1.03 105.19 111.40 3hd0 n GLY 162 Ca -0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 3hd0 n GLY 162 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hd0 n GLU 163 N -2.39 -1.19 -4.75 1.61 1.02 -1.26 -5.03 120.64 108.64 3hd0 n GLU 163 Ca -0.16 0.78 -0.32 0.00 -0.02 0.00 0.00 57.16 57.44 3hd0 n GLU 163 Cb 0.55 -5.10 -0.13 0.00 -0.02 0.00 0.00 31.44 26.74 3hd0 n GLU 163 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3hd0 s GLU 164 N -4.57 2.26 -0.31 3.49 2.02 -0.20 -5.08 118.70 116.32 3hd0 s GLU 164 Ca 0.00 -0.86 -0.29 0.00 0.02 0.00 0.00 54.97 53.84 3hd0 s GLU 164 Cb 0.00 -2.27 -0.01 0.00 0.10 0.00 0.00 34.13 31.95 3hd0 s GLU 164 CO 0.00 0.57 1.50 0.42 0.02 0.00 0.00 175.26 177.77 3hd0 s ILE 165 N -0.85 3.85 -0.65 -1.63 1.01 -1.26 -1.83 121.20 119.83 3hd0 s ILE 165 Ca 0.14 0.92 0.07 0.00 0.00 0.00 0.00 60.65 61.78 3hd0 s ILE 165 Cb -0.11 -3.96 0.16 0.00 0.01 0.00 0.00 42.46 38.56 3hd0 s ILE 165 CO 0.04 -0.48 1.05 2.30 0.00 0.00 0.00 174.94 177.84 3hd0 n ILE 166 N 6.66 0.75 -3.62 2.92 -5.35 0.24 -4.98 119.36 115.98 3hd0 n ILE 166 Ca 0.18 -0.88 0.00 0.00 -0.27 0.00 0.00 62.75 61.78 3hd0 n ILE 166 Cb 0.47 0.66 0.00 0.00 -1.74 0.00 0.00 39.64 39.02 3hd0 n ILE 166 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hd0 n GLY 167 N 0.20 -0.93 3.51 3.28 0.00 -1.22 -3.54 105.19 106.49 3hd0 n GLY 167 Ca 0.06 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 3hd0 n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hd0 s VAL 169 N -3.88 1.70 -0.12 0.00 1.01 0.64 -1.22 120.40 118.52 3hd0 s VAL 169 Ca 0.26 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.52 3hd0 s VAL 169 Cb 0.01 -1.54 -0.00 0.00 0.00 0.00 0.00 36.38 34.84 3hd0 s VAL 169 CO 0.11 0.48 -0.20 -0.63 0.00 0.00 0.00 175.10 174.86 3hd0 s ILE 170 N 1.07 2.36 -0.95 2.22 1.01 -0.36 -1.71 121.20 124.84 3hd0 s ILE 170 Ca -0.03 -0.90 -0.24 0.00 0.00 0.00 0.00 60.65 59.48 3hd0 s ILE 170 Cb -0.14 -1.94 0.03 0.00 0.01 0.00 0.00 42.46 40.41 3hd0 s ILE 170 CO -0.04 0.54 1.50 -0.60 0.00 0.00 0.00 174.94 176.34 3hd0 s ARG 171 N 0.51 3.36 0.13 2.79 6.06 -0.14 -1.07 118.95 130.60 3hd0 s ARG 171 Ca -0.13 -0.82 0.04 0.00 -2.50 0.00 0.00 55.73 52.32 3hd0 s ARG 171 Cb -0.17 -5.10 -0.14 0.00 0.06 0.00 0.00 34.95 29.60 3hd0 s ARG 171 CO 0.05 -2.37 1.29 1.79 -2.50 0.00 0.00 175.30 173.56 3hd0 h THR 172 N 6.74 1.61 -3.36 4.11 1.35 -1.84 0.17 112.91 121.68 3hd0 h THR 172 Ca 0.10 -3.09 -0.24 0.00 -0.55 0.00 0.00 66.41 62.63 3hd0 h THR 172 Cb 1.02 2.74 -0.30 0.00 -1.73 0.00 0.00 68.15 69.88 3hd0 h THR 172 CO 1.37 0.89 -0.61 -1.59 -0.25 0.00 0.00 175.52 175.32 3hd0 s LYS 173 N -2.87 0.08 0.31 4.72 -2.85 -1.26 -4.68 119.74 113.20 3hd0 s LYS 173 Ca -0.01 0.27 -0.28 0.00 -1.00 0.00 0.00 55.97 54.95 3hd0 s LYS 173 Cb 0.10 -0.11 -0.13 0.00 -2.06 0.00 0.00 37.83 35.62 3hd0 s LYS 173 CO 0.83 -0.12 1.22 0.39 0.10 0.00 0.00 175.35 177.77 3hd0 n GLU 174 N 3.82 1.86 -0.98 1.78 1.02 -1.26 -1.66 120.64 125.22 3hd0 n GLU 174 Ca -0.22 0.65 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 3hd0 n GLU 174 Cb 0.54 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 3hd0 n GLU 174 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hd0 n GLY 175 N 1.09 0.89 3.25 0.62 0.00 -1.26 -5.02 105.19 104.76 3hd0 n GLY 175 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 3hd0 n GLY 175 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hd0 s SER 176 N -2.80 2.06 0.68 1.61 0.01 -0.66 -5.12 113.70 109.47 3hd0 s SER 176 Ca 0.00 -0.80 -0.17 0.00 1.31 0.00 0.00 55.95 56.29 3hd0 s SER 176 Cb 0.00 -0.08 -0.05 0.00 0.21 0.00 0.00 66.02 66.10 3hd0 s SER 176 CO 0.00 -0.12 0.55 0.00 0.41 0.00 0.00 173.24 174.08 3hd0 n ALA 177 N 0.57 -1.31 -1.85 1.44 0.00 -1.26 -4.75 120.51 113.35 3hd0 n ALA 177 Ca -0.16 -0.17 -0.29 0.00 0.00 0.00 0.00 53.44 52.82 3hd0 n ALA 177 Cb 0.57 -1.86 0.14 0.00 0.00 0.00 0.00 19.45 18.30 3hd0 n ALA 177 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3hd0 s PRO 178 N -2.59 1.17 0.31 0.00 0.02 -1.26 -4.70 135.00 127.95 3hd0 s PRO 178 Ca 0.67 -0.11 0.09 0.00 0.02 0.00 0.00 61.00 61.67 3hd0 s PRO 178 Cb -0.38 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.22 3hd0 s PRO 178 CO 0.56 -2.11 0.09 0.96 -0.33 0.00 0.00 177.00 176.18 3hd0 s ILE 179 N -3.67 3.21 -0.20 2.83 -4.36 -0.23 -4.76 121.20 114.03 3hd0 s ILE 179 Ca 0.68 -1.76 0.01 0.00 -0.26 0.00 0.00 60.65 59.32 3hd0 s ILE 179 Cb -0.08 -2.95 0.03 0.00 1.25 0.00 0.00 42.46 40.71 3hd0 s ILE 179 CO 0.51 -0.25 -0.17 -0.36 0.24 0.00 0.00 174.94 174.91 3hd0 s PHE 180 N -2.38 2.85 -0.13 1.37 0.08 0.27 -1.23 117.98 118.81 3hd0 s PHE 180 Ca 0.35 -1.78 0.03 0.00 0.12 0.00 0.00 56.93 55.65 3hd0 s PHE 180 Cb -0.04 -1.90 0.01 0.00 -0.57 0.00 0.00 43.02 40.52 3hd0 s PHE 180 CO 0.22 -0.82 -0.23 0.08 -0.10 0.00 0.00 175.22 174.37 3hd0 s VAL 181 N 1.26 2.08 -0.00 -0.44 1.01 -0.36 0.63 120.40 124.57 3hd0 s VAL 181 Ca 0.02 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.02 3hd0 s VAL 181 Cb -0.15 -1.81 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 3hd0 s VAL 181 CO -0.11 0.55 -0.03 -0.55 0.00 0.00 0.00 175.10 174.96 3hd0 s SER 182 N 0.65 0.39 0.47 3.32 0.15 0.24 -0.97 113.70 117.95 3hd0 s SER 182 Ca -0.11 -0.06 -0.23 0.00 0.70 0.00 0.00 55.95 56.24 3hd0 s SER 182 Cb -0.16 -0.04 -0.07 0.00 -1.71 0.00 0.00 66.02 64.03 3hd0 s SER 182 CO 0.02 0.04 1.26 -2.84 1.20 0.00 0.00 173.24 172.92 3hd0 s PRO 183 N -0.09 3.62 0.00 5.44 0.02 -1.26 0.78 135.00 143.51 3hd0 s PRO 183 Ca 0.01 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.06 3hd0 s PRO 183 Cb -0.01 -2.45 0.00 0.00 0.02 0.00 0.00 34.50 32.05 3hd0 s PRO 183 CO -0.00 -0.74 0.00 0.41 -0.33 0.00 0.00 177.00 176.34 3hd0 n GLY 184 N 0.59 0.21 3.63 0.52 0.00 -0.19 -0.67 105.19 109.29 3hd0 n GLY 184 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 3hd0 n GLY 184 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3hd0 s HIS 185 N 1.76 2.69 -1.31 1.61 2.46 -1.25 -4.64 115.29 116.61 3hd0 s HIS 185 Ca 0.00 -0.22 -0.20 0.00 0.47 0.00 0.00 55.06 55.11 3hd0 s HIS 185 Cb 0.00 -1.21 0.02 0.00 -0.13 0.00 0.00 32.58 31.26 3hd0 s HIS 185 CO 0.00 0.60 0.49 1.28 -2.47 0.00 0.00 174.74 174.65 3hd0 n LEU 186 N -0.73 -1.06 -3.89 8.88 4.77 0.56 -1.59 117.00 123.95 3hd0 n LEU 186 Ca -0.07 -1.22 -0.10 0.00 -0.03 0.00 0.00 56.01 54.59 3hd0 n LEU 186 Cb 0.58 -1.80 0.00 0.00 -2.33 0.00 0.00 43.42 39.87 3hd0 n LEU 186 CO 0.40 0.63 0.42 1.51 -1.33 0.00 0.00 177.39 179.01 3hd0 s ASP 188 N -3.84 0.27 0.05 -1.43 1.47 -1.16 -4.42 116.67 107.60 3hd0 s ASP 188 Ca 0.31 -1.24 -0.27 0.00 1.18 0.00 0.00 52.55 52.53 3hd0 s ASP 188 Cb -0.15 0.80 -0.17 0.00 -0.34 0.00 0.00 42.92 43.05 3hd0 s ASP 188 CO 0.95 -1.57 1.53 0.58 0.68 0.00 0.00 175.17 177.34 3hd0 h VAL 189 N 2.03 0.78 -0.35 2.11 2.07 -1.94 -2.00 116.25 118.95 3hd0 h VAL 189 Ca -0.31 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3hd0 h VAL 189 Cb 1.25 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 3hd0 h VAL 189 CO 0.40 0.06 0.21 -0.08 0.02 0.00 0.00 177.57 178.17 3hd0 h GLU 190 N -0.49 0.47 -0.59 1.57 4.57 -1.99 -1.39 114.58 116.73 3hd0 h GLU 190 Ca -0.04 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.05 3hd0 h GLU 190 Cb 0.37 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.83 3hd0 h GLU 190 CO 0.06 0.36 0.17 0.77 -1.18 0.00 0.00 179.01 179.19 3hd0 h SER 191 N 0.45 0.83 0.87 1.04 0.02 -1.93 -1.91 113.55 112.91 3hd0 h SER 191 Ca 0.12 -0.14 -0.17 0.00 -0.84 0.00 0.00 61.79 60.76 3hd0 h SER 191 Cb 0.01 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 3hd0 h SER 191 CO -0.02 0.80 -0.80 0.77 -1.14 0.00 0.00 176.83 176.43 3hd0 h SER 192 N 0.87 0.00 0.17 3.07 4.64 -1.15 -1.08 113.55 120.08 3hd0 h SER 192 Ca 0.19 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 3hd0 h SER 192 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3hd0 h SER 192 CO -0.01 0.80 -0.08 0.50 -0.87 0.00 0.00 176.83 177.17 3hd0 h LYS 193 N 0.00 -0.23 -0.33 4.77 3.64 -0.93 0.14 116.57 123.64 3hd0 h LYS 193 Ca -0.01 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3hd0 h LYS 193 Cb 1.45 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.29 3hd0 h LYS 193 CO 0.10 -0.06 0.10 -0.09 -2.27 0.00 0.00 179.45 177.23 3hd0 h ARG 194 N -0.34 0.22 -0.15 1.90 2.43 -1.21 -1.07 114.38 116.16 3hd0 h ARG 194 Ca -0.02 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.01 3hd0 h ARG 194 Cb 0.27 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3hd0 h ARG 194 CO 0.04 0.15 -0.38 -0.07 -1.51 0.00 0.00 179.97 178.19 3hd0 h LEU 195 N 0.23 0.60 -1.31 3.80 3.38 -1.17 -1.86 115.31 118.97 3hd0 h LEU 195 Ca 0.15 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 3hd0 h LEU 195 Cb 0.14 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3hd0 h LEU 195 CO -0.18 1.07 0.26 0.40 0.09 0.00 0.00 178.44 180.08 3hd0 h ILE 196 N 0.15 1.17 -0.35 1.22 1.08 -0.58 0.28 117.51 120.49 3hd0 h ILE 196 Ca -0.00 -0.48 0.00 0.00 -0.39 0.00 0.00 64.86 63.99 3hd0 h ILE 196 Cb 0.99 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 35.23 3hd0 h ILE 196 CO 0.08 0.20 0.22 0.11 -0.69 0.00 0.00 178.15 178.07 3hd0 h LYS 197 N 0.73 0.46 0.00 2.37 1.57 -1.04 -1.90 116.57 118.76 3hd0 h LYS 197 Ca 0.18 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 3hd0 h LYS 197 Cb 0.07 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3hd0 h LYS 197 CO -0.03 0.33 -0.17 0.00 -0.57 0.00 0.00 179.45 179.01 3hd0 h ALA 198 N 1.11 1.06 -0.00 3.86 0.00 -0.39 -2.89 119.26 122.00 3hd0 h ALA 198 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hd0 h ALA 198 Cb -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hd0 h ALA 198 CO -0.03 0.21 -0.15 1.19 0.00 0.00 0.00 179.25 180.48 3hd0 n PHE 199 N -3.38 0.00 -3.93 0.00 3.72 0.89 -4.78 117.46 109.99 3hd0 n PHE 199 Ca -0.00 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.04 3hd0 n PHE 199 Cb 0.37 -0.30 -0.13 0.00 -0.94 0.00 0.00 39.48 38.49 3hd0 n PHE 199 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3hd0 s THR 200 N -2.74 3.83 0.47 4.37 2.01 -0.90 -0.95 115.64 121.73 3hd0 s THR 200 Ca 0.21 -0.34 -0.16 0.00 0.31 0.00 0.00 61.69 61.71 3hd0 s THR 200 Cb 0.19 -2.76 -0.08 0.00 0.01 0.00 0.00 72.50 69.86 3hd0 s THR 200 CO 0.54 0.40 0.92 -0.76 -0.69 0.00 0.00 174.62 175.03 3hd0 s LEU 201 N 1.35 3.75 -0.19 4.42 1.02 -1.26 -4.96 118.68 122.80 3hd0 s LEU 201 Ca 0.04 1.49 -0.41 0.00 0.02 0.00 0.00 54.13 55.27 3hd0 s LEU 201 Cb -0.15 -4.39 -0.18 0.00 0.02 0.00 0.00 46.19 41.50 3hd0 s LEU 201 CO 0.01 -0.49 1.50 -2.65 0.02 0.00 0.00 176.35 174.74 3hd0 n PRO 202 N -1.29 0.71 -1.05 1.29 -0.02 -1.26 -0.68 135.00 132.70 3hd0 n PRO 202 Ca 0.06 0.26 -0.02 0.00 -2.02 0.00 0.00 63.50 61.78 3hd0 n PRO 202 Cb 0.54 -1.86 -0.01 0.00 -0.02 0.00 0.00 33.50 32.15 3hd0 n PRO 202 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hd0 n GLY 203 N 3.28 0.54 3.30 -1.23 0.00 -1.26 -5.02 105.19 104.80 3hd0 n GLY 203 Ca 0.24 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 3hd0 n GLY 203 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hd0 s ARG 204 N -1.59 2.50 0.05 1.61 1.81 0.14 -5.01 118.95 118.46 3hd0 s ARG 204 Ca 0.00 -0.88 -0.07 0.00 -1.72 0.00 0.00 55.73 53.06 3hd0 s ARG 204 Cb 0.00 -2.18 -0.30 0.00 -0.45 0.00 0.00 34.95 32.02 3hd0 s ARG 204 CO 0.00 0.43 1.06 -0.09 -0.68 0.00 0.00 175.30 176.02 3hd0 h ARG 205 N 5.90 0.33 -5.66 3.54 2.43 -1.85 -3.38 114.38 115.70 3hd0 h ARG 205 Ca -0.35 -0.56 -0.66 0.00 -0.81 0.00 0.00 59.98 57.59 3hd0 h ARG 205 Cb 1.16 0.21 -0.10 0.00 -0.42 0.00 0.00 29.97 30.82 3hd0 h ARG 205 CO 0.48 1.26 -0.52 0.42 -1.51 0.00 0.00 179.97 180.09 3hd0 s ILE 206 N -2.64 5.16 0.39 1.20 -1.09 -1.26 -4.72 121.20 118.25 3hd0 s ILE 206 Ca -0.06 0.08 -0.27 0.00 -2.23 0.00 0.00 60.65 58.17 3hd0 s ILE 206 Cb 0.06 -3.25 -0.09 0.00 -1.58 0.00 0.00 42.46 37.60 3hd0 s ILE 206 CO 0.89 0.59 1.37 -2.84 -1.23 0.00 0.00 174.94 173.72 3hd0 s PRO 207 N -0.76 4.02 0.19 2.79 0.02 -1.26 -4.62 135.00 135.38 3hd0 s PRO 207 Ca 0.13 2.32 -0.16 0.00 0.02 0.00 0.00 61.00 63.31 3hd0 s PRO 207 Cb -0.12 -2.85 0.16 0.00 0.02 0.00 0.00 34.50 31.71 3hd0 s PRO 207 CO 0.03 -0.51 1.63 0.93 -0.33 0.00 0.00 177.00 178.75 3hd0 h GLU 208 N 2.82 -0.05 -0.79 5.54 4.39 -1.43 0.00 114.58 125.07 3hd0 h GLU 208 Ca -0.50 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.29 3hd0 h GLU 208 Cb 1.24 0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 29.79 3hd0 h GLU 208 CO 0.63 -0.03 -0.52 -1.35 -1.16 0.00 0.00 179.01 176.58 3hd0 h PRO 209 N -0.05 -0.12 0.05 2.33 0.11 -1.91 0.78 132.00 133.18 3hd0 h PRO 209 Ca 0.25 0.01 -0.23 0.00 0.11 0.00 0.00 66.00 66.13 3hd0 h PRO 209 Cb 0.43 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 3hd0 h PRO 209 CO -0.56 -0.08 -1.07 1.79 -0.21 0.00 0.00 178.00 177.87 3hd0 h THR 210 N -0.13 1.62 -0.41 -1.15 1.35 -1.81 -1.47 112.91 110.90 3hd0 h THR 210 Ca 0.17 -3.21 0.06 0.00 -0.55 0.00 0.00 66.41 62.89 3hd0 h THR 210 Cb 0.51 2.84 -0.05 0.00 -1.73 0.00 0.00 68.15 69.72 3hd0 h THR 210 CO -0.83 0.92 0.11 -0.09 -0.25 0.00 0.00 175.52 175.39 3hd0 h ARG 211 N 0.04 0.25 0.00 4.72 2.43 0.33 -0.20 114.38 121.94 3hd0 h ARG 211 Ca -0.06 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 58.96 3hd0 h ARG 211 Cb 1.81 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 31.28 3hd0 h ARG 211 CO 0.16 0.16 -0.67 -0.07 -1.51 0.00 0.00 179.97 178.04 3hd0 h LEU 212 N 0.25 0.00 -0.55 3.80 3.38 0.60 -2.42 115.31 120.38 3hd0 h LEU 212 Ca 0.20 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.25 3hd0 h LEU 212 Cb 0.22 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 3hd0 h LEU 212 CO -0.23 0.67 0.19 0.00 0.09 0.00 0.00 178.44 179.16 3hd0 h ALA 213 N 1.33 0.68 -0.28 1.53 0.00 -0.63 -1.78 119.26 120.11 3hd0 h ALA 213 Ca -0.01 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3hd0 h ALA 213 Cb 1.20 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3hd0 h ALA 213 CO 0.09 -0.22 -0.14 1.25 0.00 0.00 0.00 179.25 180.23 3hd0 h HIS 214 N 0.36 0.68 -0.65 0.00 -0.00 -0.68 -2.29 115.15 112.56 3hd0 h HIS 214 Ca 0.27 -0.17 0.11 0.00 -0.00 0.00 0.00 60.37 60.58 3hd0 h HIS 214 Cb 0.33 -0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.54 3hd0 h HIS 214 CO -0.18 0.83 0.44 0.82 -0.00 0.00 0.00 177.93 179.84 3hd0 h ILE 215 N 0.33 0.89 -0.18 6.26 2.04 -1.14 0.57 117.51 126.28 3hd0 h ILE 215 Ca 0.06 -0.16 -0.17 0.00 1.00 0.00 0.00 64.86 65.59 3hd0 h ILE 215 Cb 0.66 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3hd0 h ILE 215 CO 0.04 0.08 -0.60 1.88 0.00 0.00 0.00 178.15 179.55 3hd0 h TYR 216 N 0.46 0.76 -0.91 1.37 0.05 -1.10 -2.66 116.97 114.94 3hd0 h TYR 216 Ca 0.30 -0.29 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 3hd0 h TYR 216 Cb 0.58 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 38.14 3hd0 h TYR 216 CO -0.00 1.05 0.53 1.15 -1.05 0.00 0.00 178.16 179.84 3hd0 h THR 217 N 0.45 1.25 0.00 -2.88 2.02 -0.35 0.77 112.91 114.17 3hd0 h THR 217 Ca -0.00 -0.57 -0.08 0.00 0.77 0.00 0.00 66.41 66.53 3hd0 h THR 217 Cb 1.17 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3hd0 h THR 217 CO 0.12 0.27 -0.38 1.56 0.37 0.00 0.00 175.52 177.45 3hd0 h GLN 218 N 1.25 0.00 0.00 6.66 7.50 -1.24 -0.85 115.11 128.43 3hd0 h GLN 218 Ca 0.32 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.47 3hd0 h GLN 218 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.50 3hd0 h GLN 218 CO -0.06 0.38 -0.38 0.00 -1.50 0.00 0.00 178.83 177.27 3hd0 h ARG 219 N 0.00 0.00 -0.02 1.46 3.08 -0.83 -3.17 114.38 114.90 3hd0 h ARG 219 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hd0 h ARG 219 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.81 3hd0 h ARG 219 CO 0.05 0.00 -0.12 1.28 -1.07 0.00 0.00 179.97 180.10 3hd0 n LEU 220 N -2.58 2.49 -0.22 3.04 4.77 0.13 -5.09 117.00 119.54 3hd0 n LEU 220 Ca 0.03 -0.84 0.15 0.00 -0.03 0.00 0.00 56.01 55.32 3hd0 n LEU 220 Cb 0.49 -0.01 0.75 0.00 -2.33 0.00 0.00 43.42 42.33 3hd0 n LEU 220 CO 0.35 0.43 1.00 1.17 -1.33 0.00 0.00 177.39 179.01