#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dha s ARG 2 N 0.00 4.61 -0.05 1.61 0.52 -1.26 -5.04 118.95 119.34 3dha s ARG 2 Ca 0.00 1.84 0.02 0.00 -0.52 0.00 0.00 55.73 57.07 3dha s ARG 2 Cb 0.00 -3.19 0.01 0.00 0.52 0.00 0.00 34.95 32.29 3dha s ARG 2 CO 0.00 0.16 -0.11 -1.50 0.02 0.00 0.00 175.30 173.86 3dha s ILE 3 N -1.06 1.01 0.15 1.52 2.07 -1.26 -5.10 121.20 118.53 3dha s ILE 3 Ca 0.45 -0.44 -0.32 0.00 -1.41 0.00 0.00 60.65 58.94 3dha s ILE 3 Cb -0.33 -0.92 -0.12 0.00 0.13 0.00 0.00 42.46 41.23 3dha s ILE 3 CO 0.42 0.32 1.78 -0.24 -1.91 0.00 0.00 174.94 175.30 3dha n SER 4 N 3.64 3.92 -4.79 4.50 2.88 -1.26 -4.99 113.62 117.51 3dha n SER 4 Ca -0.22 1.02 -0.26 0.00 -1.33 0.00 0.00 58.87 58.08 3dha n SER 4 Cb 0.52 -1.54 -0.05 0.00 -0.75 0.00 0.00 64.21 62.39 3dha n SER 4 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 3dha s MET 5 N 2.07 2.88 0.21 -1.46 1.75 -1.26 -5.09 119.30 118.41 3dha s MET 5 Ca 0.80 -0.89 0.10 0.00 -1.25 0.00 0.00 55.69 54.45 3dha s MET 5 Cb -0.52 -2.63 -0.05 0.00 2.84 0.00 0.00 34.83 34.48 3dha s MET 5 CO 0.36 0.48 -0.19 0.95 -0.65 0.00 0.00 175.02 175.97 3dha s THR 6 N -1.77 2.06 0.26 10.11 -4.23 -1.26 -3.46 115.64 117.34 3dha s THR 6 Ca 0.31 -2.14 -0.29 0.00 -1.18 0.00 0.00 61.69 58.39 3dha s THR 6 Cb -0.10 -2.06 -0.09 0.00 1.34 0.00 0.00 72.50 71.59 3dha s THR 6 CO 0.23 -0.38 1.20 -0.69 -0.54 0.00 0.00 174.62 174.45 3dha s VAL 7 N -2.34 3.28 0.06 2.29 1.01 0.20 -4.75 120.40 120.15 3dha s VAL 7 Ca 0.22 1.20 -0.18 0.00 0.00 0.00 0.00 61.98 63.22 3dha s VAL 7 Cb -0.05 -3.77 -0.13 0.00 0.00 0.00 0.00 36.38 32.44 3dha s VAL 7 CO 0.09 0.25 1.34 0.11 0.00 0.00 0.00 175.10 176.90 3dha h LYS 8 N 4.24 0.49 -3.15 2.72 1.57 -1.29 0.63 116.57 121.78 3dha h LYS 8 Ca -0.46 -0.29 -0.18 0.00 -1.87 0.00 0.00 60.65 57.85 3dha h LYS 8 Cb 1.22 0.02 -0.27 0.00 0.08 0.00 0.00 32.23 33.28 3dha h LYS 8 CO 0.70 0.88 -0.46 0.15 -0.57 0.00 0.00 179.45 180.14 3dha s LYS 9 N -4.19 0.25 -0.24 3.15 1.02 -1.14 -4.50 119.74 114.10 3dha s LYS 9 Ca -0.13 0.36 0.00 0.00 0.02 0.00 0.00 55.97 56.22 3dha s LYS 9 Cb 0.06 0.07 0.03 0.00 -0.52 0.00 0.00 37.83 37.48 3dha s LYS 9 CO 0.79 -0.06 -0.11 -1.17 -0.92 0.00 0.00 175.35 173.88 3dha s LEU 10 N 0.38 3.01 -0.13 3.17 2.96 -0.63 -0.95 118.68 126.49 3dha s LEU 10 Ca -0.02 -0.96 -0.05 0.00 -0.22 0.00 0.00 54.13 52.88 3dha s LEU 10 Cb -0.04 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 3dha s LEU 10 CO -0.02 -0.11 0.06 -0.31 -1.32 0.00 0.00 176.35 174.64 3dha s TYR 11 N 1.26 3.30 -0.25 5.38 1.51 0.13 -1.06 117.35 127.62 3dha s TYR 11 Ca -0.01 0.23 -0.14 0.00 -1.01 0.00 0.00 57.07 56.15 3dha s TYR 11 Cb -0.17 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.72 3dha s TYR 11 CO -0.07 0.43 0.31 -0.06 -1.11 0.00 0.00 175.55 175.05 3dha s PHE 12 N -0.50 3.28 -0.24 2.71 0.40 -1.26 -1.36 117.98 121.01 3dha s PHE 12 Ca 0.10 0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.82 3dha s PHE 12 Cb -0.12 -2.47 0.06 0.00 0.51 0.00 0.00 43.02 41.00 3dha s PHE 12 CO 0.02 -0.11 -0.09 0.42 0.70 0.00 0.00 175.22 176.16 3dha s ILE 13 N 1.66 1.83 0.28 0.64 1.01 -0.18 -1.18 121.20 125.25 3dha s ILE 13 Ca 0.13 -1.38 -0.30 0.00 0.00 0.00 0.00 60.65 59.10 3dha s ILE 13 Cb -0.15 -2.00 -0.12 0.00 0.01 0.00 0.00 42.46 40.20 3dha s ILE 13 CO 0.09 -0.03 1.62 -2.65 0.00 0.00 0.00 174.94 173.96 3dha n PRO 14 N 4.57 2.71 -2.58 2.79 -0.02 -1.26 -1.35 135.00 139.86 3dha n PRO 14 Ca -0.13 0.97 -0.16 0.00 -2.02 0.00 0.00 63.50 62.15 3dha n PRO 14 Cb 0.43 -2.76 0.02 0.00 -0.02 0.00 0.00 33.50 31.18 3dha n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dha n ALA 15 N 2.45 4.05 0.00 3.55 0.00 -0.20 -4.86 120.51 125.49 3dha n ALA 15 Ca 0.10 -3.58 0.00 0.00 0.00 0.00 0.00 53.44 49.96 3dha n ALA 15 Cb 0.36 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3dha n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dha n GLY 16 N -0.27 -2.02 3.28 0.00 0.00 -1.26 -4.61 105.19 100.32 3dha n GLY 16 Ca 0.21 -1.60 -0.14 0.00 0.00 0.00 0.00 46.02 44.50 3dha n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dha s ARG 17 N -0.03 1.43 -0.18 1.61 0.52 -0.47 -1.79 118.95 120.05 3dha s ARG 17 Ca 0.00 -1.70 -0.09 0.00 -0.52 0.00 0.00 55.73 53.42 3dha s ARG 17 Cb 0.00 0.32 0.06 0.00 0.52 0.00 0.00 34.95 35.85 3dha s ARG 17 CO 0.00 -0.51 0.42 0.00 0.02 0.00 0.00 175.30 175.23 3dha s MET 19 N 1.45 4.59 0.12 0.00 1.00 0.01 -0.88 119.30 125.58 3dha s MET 19 Ca -0.09 1.32 0.05 0.00 0.00 0.00 0.00 55.69 56.97 3dha s MET 19 Cb -0.08 -3.41 -0.04 0.00 0.00 0.00 0.00 34.83 31.30 3dha s MET 19 CO -0.13 0.11 -0.12 -0.51 0.00 0.00 0.00 175.02 174.37 3dha s LEU 20 N 0.46 2.42 0.57 -0.03 1.43 -0.70 -1.71 118.68 121.11 3dha s LEU 20 Ca 0.47 -0.83 -0.19 0.00 -1.03 0.00 0.00 54.13 52.55 3dha s LEU 20 Cb -0.21 -0.44 -0.05 0.00 0.03 0.00 0.00 46.19 45.52 3dha s LEU 20 CO 0.27 -0.21 1.14 -0.62 0.23 0.00 0.00 176.35 177.17 3dha s ASP 21 N -2.52 5.51 0.50 2.29 2.15 -1.24 -0.19 116.67 123.17 3dha s ASP 21 Ca 0.08 2.20 0.34 0.00 0.43 0.00 0.00 52.55 55.61 3dha s ASP 21 Cb -0.03 -2.58 1.64 0.00 -0.30 0.00 0.00 42.92 41.64 3dha s ASP 21 CO 0.02 -1.36 2.02 1.12 -0.17 0.00 0.00 175.17 176.79 3dha h HIS 22 N 0.97 0.00 0.00 -5.34 2.07 -1.15 -0.26 115.15 111.44 3dha h HIS 22 Ca -0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.02 3dha h HIS 22 Cb 1.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.25 3dha h HIS 22 CO 0.51 0.00 0.00 -1.13 -3.07 0.00 0.00 177.93 174.24 3dha n SER 23 N -2.80 0.06 0.21 3.10 3.41 -1.26 -1.70 113.62 114.63 3dha n SER 23 Ca -0.01 0.51 0.10 0.00 -0.26 0.00 0.00 58.87 59.22 3dha n SER 23 Cb 0.17 -0.53 0.23 0.00 -0.26 0.00 0.00 64.21 63.82 3dha n SER 23 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3dha h SER 24 N 0.00 0.00 0.58 4.04 0.02 -1.40 -3.01 113.55 113.78 3dha h SER 24 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3dha h SER 24 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 3dha h SER 24 CO 0.00 0.15 -1.09 1.33 -1.14 0.00 0.00 176.83 176.08 3dha n VAL 25 N -3.16 0.29 -3.29 2.27 0.24 -0.69 -1.22 118.33 112.77 3dha n VAL 25 Ca 0.03 -0.36 -0.07 0.00 -2.04 0.00 0.00 64.34 61.90 3dha n VAL 25 Cb 0.54 -0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.86 3dha n VAL 25 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3dha s ASN 26 N -4.42 0.01 0.16 -1.34 3.84 -1.03 -4.64 114.94 107.52 3dha s ASN 26 Ca 0.01 -0.00 0.16 0.00 0.21 0.00 0.00 52.86 53.24 3dha s ASN 26 Cb 0.13 1.29 0.73 0.00 -0.55 0.00 0.00 41.25 42.84 3dha s ASN 26 CO 0.80 -0.32 1.48 -1.20 -2.79 0.00 0.00 177.10 175.07 3dha n SER 27 N 5.37 0.34 0.14 -4.21 7.64 -0.24 -1.33 113.62 121.32 3dha n SER 27 Ca -0.01 0.62 0.12 0.00 1.01 0.00 0.00 58.87 60.61 3dha n SER 27 Cb 0.50 -0.68 0.21 0.00 -1.01 0.00 0.00 64.21 63.24 3dha n SER 27 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dha h ALA 28 N 2.18 0.84 -2.82 -0.43 0.00 -1.84 -3.47 119.26 113.72 3dha h ALA 28 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3dha h ALA 28 Cb 0.15 0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.99 3dha h ALA 28 CO 0.00 0.00 0.55 -0.51 0.00 0.00 0.00 179.25 179.29 3dha s LEU 29 N -5.19 4.40 0.08 0.00 1.43 -0.44 -5.00 118.68 113.96 3dha s LEU 29 Ca 0.07 2.47 -0.28 0.00 -1.03 0.00 0.00 54.13 55.36 3dha s LEU 29 Cb 0.10 -3.75 -0.06 0.00 0.03 0.00 0.00 46.19 42.51 3dha s LEU 29 CO 0.68 -0.46 0.87 0.42 0.23 0.00 0.00 176.35 178.08 3dha s THR 30 N -1.22 4.62 0.64 5.49 -4.23 -1.26 -4.55 115.64 115.12 3dha s THR 30 Ca 0.50 1.86 -0.18 0.00 -1.18 0.00 0.00 61.69 62.69 3dha s THR 30 Cb -0.35 -4.22 -0.03 0.00 1.34 0.00 0.00 72.50 69.24 3dha s THR 30 CO 0.45 0.34 1.03 -2.65 -0.54 0.00 0.00 174.62 173.25 3dha n PRO 31 N 2.81 0.85 0.00 3.99 -0.02 -1.26 -4.65 135.00 136.72 3dha n PRO 31 Ca 0.00 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 3dha n PRO 31 Cb 0.50 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3dha n PRO 31 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dha n GLY 32 N 1.19 -0.86 3.06 -1.23 0.00 -1.26 -5.08 105.19 101.02 3dha n GLY 32 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3dha n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dha s LYS 33 N 0.00 2.56 0.39 1.61 -0.14 -1.26 -5.06 119.74 117.84 3dha s LYS 33 Ca 0.00 -0.72 -0.19 0.00 -1.36 0.00 0.00 55.97 53.70 3dha s LYS 33 Cb 0.00 -2.35 -0.10 0.00 -1.68 0.00 0.00 37.83 33.70 3dha s LYS 33 CO 0.00 -0.25 0.88 -0.51 -0.76 0.00 0.00 175.35 174.70 3dha s LEU 34 N 1.39 3.99 -0.07 3.17 1.43 -1.26 -0.55 118.68 126.77 3dha s LEU 34 Ca 0.04 1.55 0.05 0.00 -1.03 0.00 0.00 54.13 54.74 3dha s LEU 34 Cb -0.13 -4.37 -0.01 0.00 0.03 0.00 0.00 46.19 41.71 3dha s LEU 34 CO -0.11 -0.30 -0.25 -0.76 0.23 0.00 0.00 176.35 175.16 3dha s LEU 35 N -3.09 2.08 -0.73 1.79 1.43 0.73 -4.85 118.68 116.04 3dha s LEU 35 Ca 0.59 -0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 52.97 3dha s LEU 35 Cb -0.10 -1.39 0.11 0.00 0.03 0.00 0.00 46.19 44.84 3dha s LEU 35 CO 0.15 0.22 0.92 0.21 0.23 0.00 0.00 176.35 178.07 3dha s ASN 36 N 0.01 6.35 0.12 2.29 3.84 -1.26 -1.72 114.94 124.57 3dha s ASN 36 Ca -0.09 -1.55 -0.07 0.00 0.21 0.00 0.00 52.86 51.36 3dha s ASN 36 Cb -0.15 -2.36 -0.06 0.00 -0.55 0.00 0.00 41.25 38.13 3dha s ASN 36 CO 0.06 -1.17 0.39 -0.76 -2.79 0.00 0.00 177.10 172.82 3dha s LEU 37 N 2.98 4.29 0.45 3.21 1.43 -0.05 -4.89 118.68 126.10 3dha s LEU 37 Ca 0.22 0.67 -0.22 0.00 -1.03 0.00 0.00 54.13 53.76 3dha s LEU 37 Cb -0.15 -3.18 -0.08 0.00 0.03 0.00 0.00 46.19 42.80 3dha s LEU 37 CO 0.02 0.10 1.07 -2.16 0.23 0.00 0.00 176.35 175.61 3dha s PRO 38 N -2.37 3.91 -0.13 1.29 0.04 -1.26 -1.20 135.00 135.27 3dha s PRO 38 Ca 0.38 1.52 -0.02 0.00 0.04 0.00 0.00 61.00 62.92 3dha s PRO 38 Cb -0.13 -2.33 -0.02 0.00 0.04 0.00 0.00 34.50 32.06 3dha s PRO 38 CO 0.22 -0.37 -0.08 0.08 0.04 0.00 0.00 177.00 176.89 3dha s VAL 39 N -1.75 3.54 0.07 -0.36 1.01 -0.74 -4.70 120.40 117.47 3dha s VAL 39 Ca 0.63 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 62.20 3dha s VAL 39 Cb -0.22 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 3dha s VAL 39 CO 0.26 0.52 -0.22 0.26 0.00 0.00 0.00 175.10 175.93 3dha s TRP 40 N 0.17 2.45 0.24 5.22 0.52 -1.26 -1.04 118.94 125.24 3dha s TRP 40 Ca -0.04 -0.32 0.11 0.00 0.02 0.00 0.00 56.10 55.87 3dha s TRP 40 Cb -0.14 -1.38 -0.05 0.00 -1.15 0.00 0.00 33.47 30.75 3dha s TRP 40 CO 0.04 0.26 -0.19 0.00 0.02 0.00 0.00 176.95 177.08 3dha s TYR 42 N -2.17 1.11 -0.15 0.00 2.02 -0.53 -1.01 117.35 116.62 3dha s TYR 42 Ca 0.27 -0.24 0.01 0.00 -0.37 0.00 0.00 57.07 56.74 3dha s TYR 42 Cb -0.06 -0.74 0.00 0.00 -0.40 0.00 0.00 41.96 40.77 3dha s TYR 42 CO 0.14 -0.05 -0.19 -1.17 -1.57 0.00 0.00 175.55 172.71 3dha s LEU 43 N -0.13 2.28 -0.19 -1.29 2.96 -0.47 -0.41 118.68 121.44 3dha s LEU 43 Ca 0.02 -0.54 -0.04 0.00 -0.22 0.00 0.00 54.13 53.35 3dha s LEU 43 Cb -0.06 -1.50 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 3dha s LEU 43 CO -0.00 0.08 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.33 3dha s LEU 44 N 0.81 3.12 -0.34 -0.68 1.02 0.12 -0.69 118.68 122.03 3dha s LEU 44 Ca -0.06 -0.25 -0.18 0.00 0.02 0.00 0.00 54.13 53.65 3dha s LEU 44 Cb -0.15 -1.78 -0.01 0.00 0.02 0.00 0.00 46.19 44.27 3dha s LEU 44 CO -0.01 0.06 0.54 -1.61 0.02 0.00 0.00 176.35 175.35 3dha s GLU 45 N 0.99 3.68 0.24 1.70 2.02 -0.13 -1.21 118.70 125.99 3dha s GLU 45 Ca 0.01 -0.07 0.07 0.00 0.02 0.00 0.00 54.97 55.00 3dha s GLU 45 Cb -0.14 -3.79 -0.05 0.00 0.10 0.00 0.00 34.13 30.24 3dha s GLU 45 CO 0.01 -0.63 -0.10 0.95 0.02 0.00 0.00 175.26 175.51 3dha s THR 46 N 2.44 1.68 0.40 3.63 -4.23 -1.16 -0.79 115.64 117.62 3dha s THR 46 Ca 0.20 -2.17 0.09 0.00 -1.18 0.00 0.00 61.69 58.62 3dha s THR 46 Cb -0.15 -2.23 0.29 0.00 1.34 0.00 0.00 72.50 71.75 3dha s THR 46 CO 0.13 -0.46 2.01 -0.08 -0.54 0.00 0.00 174.62 175.68 3dha h GLU 47 N 2.44 0.56 -0.09 3.99 4.81 -1.94 -1.06 114.58 123.28 3dha h GLU 47 Ca -0.39 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 3dha h GLU 47 Cb 1.23 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3dha h GLU 47 CO 0.64 0.37 0.00 -0.85 -0.73 0.00 0.00 179.01 178.44 3dha n GLU 48 N -4.47 1.80 0.00 1.92 0.00 -1.26 -5.03 120.64 113.60 3dha n GLU 48 Ca 0.07 -1.19 0.00 0.00 0.00 0.00 0.00 57.16 56.04 3dha n GLU 48 Cb 0.19 -1.45 0.00 0.00 0.00 0.00 0.00 31.44 30.18 3dha n GLU 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3dha n GLY 49 N 1.20 1.52 3.75 -1.84 0.00 -0.40 -4.93 105.19 104.48 3dha n GLY 49 Ca 0.18 -1.96 -0.40 0.00 0.00 0.00 0.00 46.02 43.83 3dha n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dha s PRO 50 N -1.24 4.83 -0.08 1.61 0.04 -1.26 -2.99 135.00 135.90 3dha s PRO 50 Ca 0.00 1.48 0.03 0.00 0.04 0.00 0.00 61.00 62.55 3dha s PRO 50 Cb 0.00 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.25 3dha s PRO 50 CO 0.00 0.47 -0.18 0.42 0.04 0.00 0.00 177.00 177.75 3dha s ILE 51 N -0.98 1.60 -0.18 0.56 1.01 -0.35 -0.31 121.20 122.55 3dha s ILE 51 Ca 0.42 -0.75 -0.07 0.00 0.00 0.00 0.00 60.65 60.25 3dha s ILE 51 Cb -0.26 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 3dha s ILE 51 CO 0.32 0.46 0.04 -0.22 0.00 0.00 0.00 174.94 175.54 3dha s LEU 52 N 0.49 3.68 -0.32 2.97 2.96 -0.78 -0.70 118.68 126.98 3dha s LEU 52 Ca -0.17 0.02 -0.09 0.00 -0.22 0.00 0.00 54.13 53.67 3dha s LEU 52 Cb -0.17 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.60 3dha s LEU 52 CO 0.06 0.16 0.15 -0.69 -1.32 0.00 0.00 176.35 174.72 3dha s VAL 53 N 0.43 4.49 0.33 1.68 1.01 0.46 -0.63 120.40 128.18 3dha s VAL 53 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3dha s VAL 53 Cb -0.13 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.90 3dha s VAL 53 CO 0.01 -0.01 0.00 0.47 0.00 0.00 0.00 175.10 175.57 3dha n ASP 54 N 4.97 -4.18 -0.34 3.32 8.00 -0.17 -1.46 116.55 126.69 3dha n ASP 54 Ca -0.13 0.78 0.02 0.00 0.71 0.00 0.00 54.79 56.16 3dha n ASP 54 Cb 0.48 -2.65 0.02 0.00 -0.02 0.00 0.00 41.12 38.95 3dha n ASP 54 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3dha n THR 55 N -3.25 0.35 -4.51 -3.53 -2.24 -0.36 -4.66 114.28 96.07 3dha n THR 55 Ca -0.05 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3dha n THR 55 Cb 0.37 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 3dha n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dha n GLY 56 N -0.26 -0.36 3.95 3.38 0.00 -1.26 -2.86 105.19 107.78 3dha n GLY 56 Ca 0.03 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 3dha n GLY 56 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dha s MET 57 N 0.00 3.46 0.69 1.61 -1.94 -1.26 -1.11 119.30 120.76 3dha s MET 57 Ca 0.00 -0.41 -0.11 0.00 -1.71 0.00 0.00 55.69 53.46 3dha s MET 57 Cb 0.00 -2.69 0.00 0.00 2.01 0.00 0.00 34.83 34.15 3dha s MET 57 CO 0.00 0.17 1.08 -1.25 -0.01 0.00 0.00 175.02 175.00 3dha s PRO 58 N -4.28 2.99 0.53 2.03 0.04 -1.25 -4.00 135.00 131.06 3dha s PRO 58 Ca 0.40 0.59 0.20 0.00 0.04 0.00 0.00 61.00 62.22 3dha s PRO 58 Cb -0.10 -2.03 1.33 0.00 0.04 0.00 0.00 34.50 33.75 3dha s PRO 58 CO 0.35 -0.97 2.09 1.05 0.04 0.00 0.00 177.00 179.56 3dha h GLU 59 N -0.61 0.00 0.00 4.56 -0.00 -1.99 -0.76 114.58 115.78 3dha h GLU 59 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 3dha h GLU 59 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.98 3dha h GLU 59 CO 0.62 0.00 0.00 0.66 -0.00 0.00 0.00 179.01 180.29 3dha h SER 60 N 0.00 0.00 1.17 3.06 4.64 -1.96 -1.80 113.55 118.66 3dha h SER 60 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3dha h SER 60 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3dha h SER 60 CO -0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 176.83 175.73 3dha n ALA 61 N -2.05 2.56 -1.83 5.18 0.00 -0.29 -4.68 120.51 119.41 3dha n ALA 61 Ca -0.01 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 3dha n ALA 61 Cb 0.17 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 3dha n ALA 61 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dha s VAL 62 N -3.10 3.07 -1.45 0.00 1.01 -0.68 -2.19 120.40 117.05 3dha s VAL 62 Ca 0.10 0.31 -0.10 0.00 0.00 0.00 0.00 61.98 62.28 3dha s VAL 62 Cb 0.14 -3.20 0.07 0.00 0.00 0.00 0.00 36.38 33.38 3dha s VAL 62 CO 0.64 -0.02 0.73 0.59 0.00 0.00 0.00 175.10 177.04 3dha n ASN 63 N 6.60 -4.71 -3.09 3.32 3.02 -0.13 -4.89 115.26 115.37 3dha n ASN 63 Ca 0.18 -0.54 -0.19 0.00 -0.03 0.00 0.00 54.58 54.00 3dha n ASN 63 Cb 0.41 -3.81 -0.04 0.00 -0.61 0.00 0.00 39.78 35.73 3dha n ASN 63 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3dha n ASN 64 N -2.57 -0.97 0.28 6.41 4.05 -0.93 -4.94 115.26 116.58 3dha n ASN 64 Ca -0.01 -2.78 0.13 0.00 0.45 0.00 0.00 54.58 52.37 3dha n ASN 64 Cb 0.55 0.14 0.81 0.00 1.23 0.00 0.00 39.78 42.51 3dha n ASN 64 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 3dha h GLU 65 N 4.42 0.00 -0.63 1.20 5.08 -1.80 -1.99 114.58 120.86 3dha h GLU 65 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3dha h GLU 65 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3dha h GLU 65 CO 0.37 0.03 0.00 0.41 -1.00 0.00 0.00 179.01 178.83 3dha n GLY 66 N -1.23 1.13 0.34 -3.84 0.00 -1.26 -4.03 105.19 96.29 3dha n GLY 66 Ca -0.03 -0.22 0.15 0.00 0.00 0.00 0.00 46.02 45.92 3dha n GLY 66 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3dha h LEU 67 N 1.06 0.62 -1.66 0.99 5.85 -1.69 0.14 115.31 120.62 3dha h LEU 67 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3dha h LEU 67 Cb 0.65 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.71 3dha h LEU 67 CO 0.08 0.13 0.00 0.49 -0.34 0.00 0.00 178.44 178.80 3dha n PHE 68 N -4.89 0.65 -1.89 1.25 3.01 -1.26 -4.92 117.46 109.41 3dha n PHE 68 Ca 0.25 -0.30 -0.39 0.00 1.01 0.00 0.00 57.45 58.02 3dha n PHE 68 Cb 0.67 -0.05 0.02 0.00 -0.01 0.00 0.00 39.48 40.11 3dha n PHE 68 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3dha s ASN 69 N -0.91 5.63 0.00 4.37 0.01 0.04 -1.91 114.94 122.16 3dha s ASN 69 Ca 0.28 2.71 0.00 0.00 -0.71 0.00 0.00 52.86 55.15 3dha s ASN 69 Cb 0.16 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.18 3dha s ASN 69 CO 0.17 -1.32 0.00 0.61 -1.51 0.00 0.00 177.10 175.05 3dha n GLY 70 N 0.65 2.08 3.90 0.66 0.00 -1.26 -4.97 105.19 106.25 3dha n GLY 70 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 3dha n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dha s THR 71 N -3.03 2.65 0.16 2.61 -4.23 -0.80 -5.01 115.64 108.00 3dha s THR 71 Ca 0.00 -1.29 0.33 0.00 -1.18 0.00 0.00 61.69 59.55 3dha s THR 71 Cb 0.00 -2.94 0.34 0.00 1.34 0.00 0.00 72.50 71.24 3dha s THR 71 CO 0.00 0.00 2.01 2.19 -0.54 0.00 0.00 174.62 178.28 3dha h PHE 72 N 0.93 0.00 -0.25 3.99 -0.00 -1.96 -1.88 116.94 117.77 3dha h PHE 72 Ca -0.41 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.56 3dha h PHE 72 Cb 1.27 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.22 3dha h PHE 72 CO 0.51 0.00 0.00 1.55 -0.00 0.00 0.00 178.31 180.37 3dha n VAL 73 N -2.71 2.29 -1.63 0.88 3.14 -1.26 -5.00 118.33 114.03 3dha n VAL 73 Ca -0.01 -1.89 -0.52 0.00 -2.96 0.00 0.00 64.34 58.95 3dha n VAL 73 Cb 0.11 -0.26 -0.06 0.00 -1.06 0.00 0.00 33.84 32.58 3dha n VAL 73 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 3dha n GLU 74 N -0.53 1.38 0.00 1.45 2.13 -0.71 -0.96 120.64 123.40 3dha n GLU 74 Ca 0.21 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.53 3dha n GLU 74 Cb 0.89 -2.18 0.00 0.00 0.27 0.00 0.00 31.44 30.42 3dha n GLU 74 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dha n GLY 75 N 3.11 2.71 0.03 8.31 0.00 -1.26 -4.82 105.19 113.27 3dha n GLY 75 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 3dha n GLY 75 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dha n GLN 76 N -2.00 0.51 -3.66 1.61 6.02 -0.13 -4.84 117.38 114.90 3dha n GLN 76 Ca 0.00 -0.10 -0.19 0.00 -0.01 0.00 0.00 57.00 56.70 3dha n GLN 76 Cb 0.00 -1.58 -0.17 0.00 1.02 0.00 0.00 30.24 29.52 3dha n GLN 76 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3dha s ILE 77 N -3.38 -0.18 -0.30 5.09 1.01 -1.22 -3.64 121.20 118.58 3dha s ILE 77 Ca -0.03 0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.94 3dha s ILE 77 Cb 0.14 -0.27 0.09 0.00 0.01 0.00 0.00 42.46 42.43 3dha s ILE 77 CO 0.87 0.11 0.07 -0.76 0.00 0.00 0.00 174.94 175.22 3dha s LEU 78 N 2.22 2.78 0.47 2.97 1.02 -0.69 -4.55 118.68 122.90 3dha s LEU 78 Ca 0.04 -1.66 -0.23 0.00 0.02 0.00 0.00 54.13 52.30 3dha s LEU 78 Cb -0.13 -1.05 -0.07 0.00 0.02 0.00 0.00 46.19 44.96 3dha s LEU 78 CO -0.05 -0.38 1.22 -2.16 0.02 0.00 0.00 176.35 174.99 3dha s PRO 79 N 1.45 3.68 -0.53 1.29 0.04 -1.26 -0.81 135.00 138.86 3dha s PRO 79 Ca 0.08 1.91 0.04 0.00 0.04 0.00 0.00 61.00 63.07 3dha s PRO 79 Cb -0.18 -2.44 0.14 0.00 0.04 0.00 0.00 34.50 32.06 3dha s PRO 79 CO -0.18 -0.65 0.30 0.15 0.04 0.00 0.00 177.00 176.65 3dha s LYS 80 N -2.65 1.87 -0.05 4.56 -0.14 0.43 -4.07 119.74 119.69 3dha s LYS 80 Ca 0.64 -2.59 0.01 0.00 -1.36 0.00 0.00 55.97 52.66 3dha s LYS 80 Cb -0.32 -3.05 0.02 0.00 -1.68 0.00 0.00 37.83 32.80 3dha s LYS 80 CO 0.39 -1.16 -0.04 1.41 -0.76 0.00 0.00 175.35 175.19 3dha s MET 81 N -0.34 0.83 0.49 1.68 1.75 -1.26 -1.37 119.30 121.08 3dha s MET 81 Ca 0.19 -0.09 0.07 0.00 -1.25 0.00 0.00 55.69 54.61 3dha s MET 81 Cb -0.21 -0.86 0.02 0.00 2.84 0.00 0.00 34.83 36.62 3dha s MET 81 CO -0.03 -0.10 0.47 0.95 -0.65 0.00 0.00 175.02 175.66 3dha s THR 82 N 0.99 2.20 0.43 10.11 -4.23 -1.26 -0.96 115.64 122.93 3dha s THR 82 Ca -0.10 -1.33 0.12 0.00 -1.18 0.00 0.00 61.69 59.20 3dha s THR 82 Cb -0.14 -2.53 0.30 0.00 1.34 0.00 0.00 72.50 71.47 3dha s THR 82 CO -0.00 0.00 2.02 -0.08 -0.54 0.00 0.00 174.62 176.02 3dha h GLU 83 N 0.76 0.41 0.00 3.99 4.57 -1.98 -0.96 114.58 121.36 3dha h GLU 83 Ca -0.38 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.76 3dha h GLU 83 Cb 1.28 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.78 3dha h GLU 83 CO 0.54 0.27 -0.09 1.05 -1.18 0.00 0.00 179.01 179.60 3dha h GLU 84 N 0.42 0.00 -0.12 1.92 4.11 -2.00 -2.83 114.58 116.08 3dha h GLU 84 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 3dha h GLU 84 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3dha h GLU 84 CO -0.05 0.09 0.00 -0.25 0.07 0.00 0.00 179.01 178.87 3dha n ASP 85 N -3.41 1.69 -4.74 3.06 8.00 -0.36 -3.97 116.55 116.80 3dha n ASP 85 Ca -0.01 -1.65 -0.42 0.00 0.71 0.00 0.00 54.79 53.42 3dha n ASP 85 Cb 0.25 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.26 3dha n ASP 85 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3dha s ARG 86 N -1.86 4.15 0.34 -1.24 0.52 -1.07 -4.73 118.95 115.06 3dha s ARG 86 Ca 0.34 2.52 0.04 0.00 -0.52 0.00 0.00 55.73 58.11 3dha s ARG 86 Cb 0.19 -3.05 0.66 0.00 0.52 0.00 0.00 34.95 33.26 3dha s ARG 86 CO 0.29 -0.61 1.94 0.97 0.02 0.00 0.00 175.30 177.91 3dha h ILE 87 N 3.51 1.03 -0.24 1.52 6.09 -1.87 0.02 117.51 127.58 3dha h ILE 87 Ca -0.46 -0.30 -0.09 0.00 -1.37 0.00 0.00 64.86 62.65 3dha h ILE 87 Cb 1.22 0.09 -0.01 0.00 0.47 0.00 0.00 36.82 38.59 3dha h ILE 87 CO 0.82 0.16 -0.22 0.58 -3.07 0.00 0.00 178.15 176.41 3dha h VAL 88 N 0.86 1.25 -0.19 2.19 2.07 -1.93 0.22 116.25 120.72 3dha h VAL 88 Ca 0.35 -1.18 -0.15 0.00 0.82 0.00 0.00 66.70 66.54 3dha h VAL 88 Cb 0.25 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3dha h VAL 88 CO -0.12 0.37 -0.45 0.78 0.02 0.00 0.00 177.57 178.17 3dha h ASN 89 N 0.39 0.73 -0.33 0.57 -0.26 -1.36 -1.28 115.58 114.04 3dha h ASN 89 Ca 0.06 -0.56 0.06 0.00 -0.56 0.00 0.00 56.30 55.30 3dha h ASN 89 Cb 0.61 -0.21 -0.06 0.00 -1.06 0.00 0.00 38.32 37.60 3dha h ASN 89 CO 0.04 1.16 -0.06 0.40 -1.06 0.00 0.00 177.43 177.91 3dha h ILE 90 N 0.33 0.69 -0.60 2.81 2.04 -0.92 -1.52 117.51 120.33 3dha h ILE 90 Ca -0.00 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3dha h ILE 90 Cb 1.06 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 3dha h ILE 90 CO 0.10 0.00 0.32 -0.07 0.00 0.00 0.00 178.15 178.50 3dha h LEU 91 N 0.02 0.76 -0.61 1.44 3.38 -0.88 -1.69 115.31 117.73 3dha h LEU 91 Ca 0.16 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3dha h LEU 91 Cb 0.24 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3dha h LEU 91 CO -0.32 0.64 0.25 0.50 0.09 0.00 0.00 178.44 179.60 3dha h LYS 92 N 0.82 0.92 -0.39 1.13 1.63 -0.93 0.70 116.57 120.43 3dha h LYS 92 Ca 0.21 -0.17 -0.03 0.00 -0.85 0.00 0.00 60.65 59.82 3dha h LYS 92 Cb 0.06 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.52 3dha h LYS 92 CO -0.03 0.78 0.13 0.00 -3.45 0.00 0.00 179.45 176.88 3dha h ARG 93 N 0.86 0.56 0.00 1.90 3.08 -0.91 -2.66 114.38 117.21 3dha h ARG 93 Ca 0.20 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 60.06 3dha h ARG 93 Cb 0.20 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3dha h ARG 93 CO -0.02 0.49 -0.57 0.28 -1.07 0.00 0.00 179.97 179.09 3dha h VAL 94 N 0.56 1.11 0.00 2.04 2.07 -0.73 -3.47 116.25 117.82 3dha h VAL 94 Ca 0.14 -2.18 0.00 0.00 0.82 0.00 0.00 66.70 65.47 3dha h VAL 94 Cb 0.15 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 3dha h VAL 94 CO -0.01 0.55 0.00 0.61 0.02 0.00 0.00 177.57 178.74 3dha n GLY 95 N 0.76 1.94 3.17 2.17 0.00 -0.19 -5.10 105.19 107.94 3dha n GLY 95 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 3dha n GLY 95 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dha s TYR 96 N -1.94 1.02 0.21 1.61 1.51 0.06 -4.99 117.35 114.84 3dha s TYR 96 Ca 0.00 -0.69 0.07 0.00 -1.01 0.00 0.00 57.07 55.45 3dha s TYR 96 Cb 0.00 -0.56 -0.04 0.00 -0.11 0.00 0.00 41.96 41.25 3dha s TYR 96 CO 0.00 -0.02 0.06 -1.21 -1.11 0.00 0.00 175.55 173.27 3dha s GLU 97 N -2.91 2.57 0.29 -0.62 2.02 -1.26 -2.53 118.70 116.26 3dha s GLU 97 Ca 0.06 -1.14 0.03 0.00 0.02 0.00 0.00 54.97 53.94 3dha s GLU 97 Cb -0.02 -2.40 0.69 0.00 0.10 0.00 0.00 34.13 32.50 3dha s GLU 97 CO -0.01 0.42 1.74 -1.35 0.02 0.00 0.00 175.26 176.09 3dha h PRO 98 N 2.18 0.55 0.00 0.39 0.11 -1.95 -0.27 132.00 133.01 3dha h PRO 98 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3dha h PRO 98 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3dha h PRO 98 CO 0.60 0.37 0.00 -0.25 -0.21 0.00 0.00 178.00 178.51 3dha n ASP 99 N -4.91 0.09 0.17 -2.05 8.00 -1.26 -1.83 116.55 114.76 3dha n ASP 99 Ca 0.21 0.52 0.13 0.00 0.71 0.00 0.00 54.79 56.37 3dha n ASP 99 Cb 0.58 -0.54 0.43 0.00 -0.02 0.00 0.00 41.12 41.57 3dha n ASP 99 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3dha h ASP 100 N 0.00 0.00 -3.96 -2.24 3.32 -1.45 -3.46 116.42 108.63 3dha h ASP 100 Ca 0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 3dha h ASP 100 Cb 0.32 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 3dha h ASP 100 CO 0.00 0.00 0.37 -0.76 -1.72 0.00 0.00 179.24 177.13 3dha s LEU 101 N -5.17 4.16 -0.09 1.55 1.43 -0.76 -4.62 118.68 115.18 3dha s LEU 101 Ca 0.06 1.90 -0.27 0.00 -1.03 0.00 0.00 54.13 54.79 3dha s LEU 101 Cb 0.09 -4.21 -0.24 0.00 0.03 0.00 0.00 46.19 41.86 3dha s LEU 101 CO 0.55 -0.34 0.97 0.25 0.23 0.00 0.00 176.35 178.01 3dha h LEU 102 N 2.57 0.06 -7.87 1.79 5.85 -0.98 -3.46 115.31 113.27 3dha h LEU 102 Ca -0.48 -0.81 -0.13 0.00 0.84 0.00 0.00 57.88 57.30 3dha h LEU 102 Cb 1.20 -0.02 -0.19 0.00 0.37 0.00 0.00 40.66 42.03 3dha h LEU 102 CO 0.63 0.86 -0.53 -0.31 -0.34 0.00 0.00 178.44 178.75 3dha s TYR 103 N -2.98 0.17 -0.11 1.25 2.02 -1.25 -4.34 117.35 112.10 3dha s TYR 103 Ca -0.17 -0.43 -0.03 0.00 -0.37 0.00 0.00 57.07 56.07 3dha s TYR 103 Cb -0.01 -0.13 -0.03 0.00 -0.40 0.00 0.00 41.96 41.39 3dha s TYR 103 CO 0.70 -0.33 0.01 0.42 -1.57 0.00 0.00 175.55 174.78 3dha s ILE 104 N -2.25 4.41 -0.21 2.71 -1.09 -0.41 -1.87 121.20 122.50 3dha s ILE 104 Ca -0.08 -0.20 -0.03 0.00 -2.23 0.00 0.00 60.65 58.11 3dha s ILE 104 Cb -0.03 -2.89 -0.01 0.00 -1.58 0.00 0.00 42.46 37.95 3dha s ILE 104 CO -0.03 0.57 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.56 3dha s ILE 105 N -0.53 3.31 -0.38 2.92 1.01 0.20 -0.30 121.20 127.41 3dha s ILE 105 Ca 0.09 -0.52 -0.17 0.00 0.00 0.00 0.00 60.65 60.06 3dha s ILE 105 Cb -0.12 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 39.87 3dha s ILE 105 CO 0.02 0.44 0.43 -0.44 0.00 0.00 0.00 174.94 175.39 3dha s SER 106 N 1.35 6.21 0.24 3.58 0.01 -0.39 -1.00 113.70 123.70 3dha s SER 106 Ca 0.04 -0.41 -0.06 0.00 1.31 0.00 0.00 55.95 56.83 3dha s SER 106 Cb -0.14 -2.22 0.31 0.00 0.21 0.00 0.00 66.02 64.17 3dha s SER 106 CO -0.03 -0.49 1.87 0.77 0.41 0.00 0.00 173.24 175.77 3dha h SER 107 N 8.60 0.91 -5.41 2.44 4.64 -1.85 -3.43 113.55 119.45 3dha h SER 107 Ca -0.28 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.22 3dha h SER 107 Cb 1.12 -0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 62.98 3dha h SER 107 CO 0.76 0.61 0.58 -1.38 -0.87 0.00 0.00 176.83 176.52 3dha s HIS 108 N -6.08 0.03 -0.20 4.77 -3.43 -1.26 -1.24 115.29 107.88 3dha s HIS 108 Ca -0.13 -0.40 0.16 0.00 -0.80 0.00 0.00 55.06 53.89 3dha s HIS 108 Cb 0.18 0.68 0.59 0.00 -1.43 0.00 0.00 32.58 32.60 3dha s HIS 108 CO 0.80 -0.88 1.49 1.28 -2.00 0.00 0.00 174.74 175.43 3dha n LEU 109 N -0.65 4.30 -4.67 5.38 4.77 -1.26 -4.28 117.00 120.59 3dha n LEU 109 Ca -0.04 -3.05 -0.32 0.00 -0.03 0.00 0.00 56.01 52.58 3dha n LEU 109 Cb 0.60 -0.58 0.15 0.00 -2.33 0.00 0.00 43.42 41.26 3dha n LEU 109 CO 0.19 0.69 0.68 1.41 -1.33 0.00 0.00 177.39 179.04 3dha n HIS 110 N -0.34 0.93 0.25 -1.77 8.25 -1.26 -4.68 115.22 116.60 3dha n HIS 110 Ca 0.24 0.40 0.11 0.00 -0.26 0.00 0.00 57.72 58.21 3dha n HIS 110 Cb 0.97 -2.03 0.67 0.00 1.12 0.00 0.00 29.99 30.72 3dha n HIS 110 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3dha h PHE 111 N -1.49 0.00 -0.02 4.41 -5.15 -1.93 -0.56 116.94 112.20 3dha h PHE 111 Ca -0.44 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 3dha h PHE 111 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.45 3dha h PHE 111 CO 0.48 0.14 0.00 -0.40 -2.00 0.00 0.00 178.31 176.53 3dha n ASP 112 N -3.71 0.80 0.00 -0.68 3.85 -1.26 -2.55 116.55 113.00 3dha n ASP 112 Ca -0.02 -1.31 0.00 0.00 -0.71 0.00 0.00 54.79 52.75 3dha n ASP 112 Cb 0.26 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 40.02 3dha n ASP 112 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 3dha n HIS 113 N -0.36 0.00 -0.33 2.11 8.25 -0.32 -4.16 115.22 120.42 3dha n HIS 113 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 3dha n HIS 113 Cb 0.23 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.34 3dha n HIS 113 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dha n ALA 114 N -1.65 1.68 0.30 -1.41 0.00 -0.61 -1.23 120.51 117.59 3dha n ALA 114 Ca 0.00 -0.61 0.17 0.00 0.00 0.00 0.00 53.44 53.00 3dha n ALA 114 Cb 0.33 0.00 0.96 0.00 0.00 0.00 0.00 19.45 20.73 3dha n ALA 114 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3dha h GLY 115 N 0.00 0.00 -1.55 0.00 0.00 -0.83 -1.64 103.07 99.05 3dha h GLY 115 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dha h GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3dha n GLY 116 N -1.12 1.01 0.31 4.60 0.00 -1.14 -3.81 105.19 105.06 3dha n GLY 116 Ca -0.03 -0.54 0.03 0.00 0.00 0.00 0.00 46.02 45.49 3dha n GLY 116 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dha h ASN 117 N 2.99 0.53 0.16 1.61 4.21 -1.54 -2.29 115.58 121.25 3dha h ASN 117 Ca 0.00 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.49 3dha h ASN 117 Cb 0.67 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 3dha h ASN 117 CO 0.00 0.39 0.00 1.23 -1.29 0.00 0.00 177.43 177.76 3dha h GLY 118 N 0.64 0.00 2.00 2.83 0.00 -1.80 -1.68 103.07 105.05 3dha h GLY 118 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3dha h GLY 118 CO -0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.51 3dha h ALA 119 N 2.01 1.00 -2.94 3.60 0.00 -1.77 -3.39 119.26 117.77 3dha h ALA 119 Ca 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.19 3dha h ALA 119 Cb 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 17.55 3dha h ALA 119 CO 0.00 0.00 -0.32 -0.06 0.00 0.00 0.00 179.25 178.87 3dha s PHE 120 N -3.74 3.50 -0.86 0.00 0.08 -0.63 -4.86 117.98 111.47 3dha s PHE 120 Ca -0.00 -2.30 0.18 0.00 0.12 0.00 0.00 56.93 54.93 3dha s PHE 120 Cb 0.10 -3.40 -0.20 0.00 -0.57 0.00 0.00 43.02 38.95 3dha s PHE 120 CO 0.48 -0.93 0.78 0.25 -0.10 0.00 0.00 175.22 175.70 3dha n THR 121 N 4.15 0.00 -0.03 0.64 -2.24 -1.26 -4.53 114.28 111.01 3dha n THR 121 Ca 0.03 -0.07 -0.04 0.00 -2.27 0.00 0.00 64.05 61.70 3dha n THR 121 Cb 0.41 1.00 -0.04 0.00 -2.10 0.00 0.00 70.33 69.59 3dha n THR 121 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3dha n ASN 122 N -1.44 3.53 -4.76 3.42 3.02 -1.26 -4.32 115.26 113.45 3dha n ASN 122 Ca 0.03 -0.01 -0.41 0.00 -0.03 0.00 0.00 54.58 54.16 3dha n ASN 122 Cb 0.29 0.38 -0.02 0.00 -0.61 0.00 0.00 39.78 39.82 3dha n ASN 122 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dha s THR 123 N -2.14 2.75 0.29 3.41 2.01 -1.26 -4.82 115.64 115.88 3dha s THR 123 Ca -0.05 0.69 -0.29 0.00 0.31 0.00 0.00 61.69 62.34 3dha s THR 123 Cb 0.02 -3.44 -0.10 0.00 0.01 0.00 0.00 72.50 68.99 3dha s THR 123 CO 0.21 0.14 1.37 -2.84 -0.69 0.00 0.00 174.62 172.81 3dha s PRO 124 N -1.05 4.31 -0.29 4.92 0.02 -1.26 -4.48 135.00 137.17 3dha s PRO 124 Ca 0.54 2.26 -0.04 0.00 0.02 0.00 0.00 61.00 63.78 3dha s PRO 124 Cb -0.40 -3.09 0.03 0.00 0.02 0.00 0.00 34.50 31.06 3dha s PRO 124 CO 0.48 -0.30 0.02 0.42 -0.33 0.00 0.00 177.00 177.29 3dha s ILE 125 N -0.63 3.28 -0.25 2.83 1.01 -0.25 -1.28 121.20 125.91 3dha s ILE 125 Ca 0.53 -1.12 -0.24 0.00 0.00 0.00 0.00 60.65 59.82 3dha s ILE 125 Cb -0.41 -2.79 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 3dha s ILE 125 CO 0.49 -0.01 0.82 -0.63 0.00 0.00 0.00 174.94 175.61 3dha s ILE 126 N 1.34 4.84 -0.05 2.92 1.01 0.58 -0.33 121.20 131.52 3dha s ILE 126 Ca -0.02 1.53 -0.09 0.00 0.00 0.00 0.00 60.65 62.07 3dha s ILE 126 Cb -0.18 -4.11 0.02 0.00 0.01 0.00 0.00 42.46 38.19 3dha s ILE 126 CO -0.01 -0.08 0.21 0.54 0.00 0.00 0.00 174.94 175.61 3dha s VAL 127 N 2.83 0.03 0.38 2.92 0.11 -1.07 -1.27 120.40 124.34 3dha s VAL 127 Ca 0.34 -0.29 -0.27 0.00 -2.93 0.00 0.00 61.98 58.84 3dha s VAL 127 Cb -0.15 -0.40 -0.09 0.00 -1.53 0.00 0.00 36.38 34.21 3dha s VAL 127 CO 0.08 -0.16 1.26 -1.10 -3.33 0.00 0.00 175.10 171.85 3dha s GLN 128 N -0.57 4.12 0.23 1.54 -1.52 -1.26 -1.42 119.66 120.77 3dha s GLN 128 Ca -0.07 2.07 -0.07 0.00 -1.95 0.00 0.00 55.36 55.34 3dha s GLN 128 Cb -0.04 -2.83 0.28 0.00 -0.22 0.00 0.00 33.01 30.20 3dha s GLN 128 CO 0.01 -0.34 1.83 -0.09 -0.25 0.00 0.00 175.29 176.45 3dha h ARG 129 N 2.89 0.81 0.00 2.91 2.43 -1.17 -0.83 114.38 121.42 3dha h ARG 129 Ca -0.49 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 58.57 3dha h ARG 129 Cb 1.24 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 3dha h ARG 129 CO 0.63 0.54 -0.27 1.79 -1.51 0.00 0.00 179.97 181.14 3dha h THR 130 N 0.83 0.93 -0.04 0.20 1.35 -1.89 0.04 112.91 114.33 3dha h THR 130 Ca 0.34 -1.04 -0.11 0.00 -0.55 0.00 0.00 66.41 65.05 3dha h THR 130 Cb 0.17 1.61 0.01 0.00 -1.73 0.00 0.00 68.15 68.21 3dha h THR 130 CO -0.17 0.27 -0.39 -0.08 -0.25 0.00 0.00 175.52 174.90 3dha h GLU 131 N 0.00 0.34 -0.30 4.72 4.57 -1.50 -2.56 114.58 119.85 3dha h GLU 131 Ca -0.00 -0.31 0.03 0.00 -1.18 0.00 0.00 59.36 57.90 3dha h GLU 131 Cb 0.59 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.22 3dha h GLU 131 CO 0.04 0.97 0.10 -0.92 -1.18 0.00 0.00 179.01 178.02 3dha h TYR 132 N -0.19 0.18 -0.53 0.92 3.20 -1.00 -0.95 116.97 118.60 3dha h TYR 132 Ca -0.04 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.77 3dha h TYR 132 Cb 1.07 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.28 3dha h TYR 132 CO 0.14 0.08 0.02 0.93 -1.64 0.00 0.00 178.16 177.69 3dha h GLU 133 N 0.23 0.89 -0.48 1.82 5.08 -1.06 -0.89 114.58 120.16 3dha h GLU 133 Ca 0.13 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3dha h GLU 133 Cb 0.10 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3dha h GLU 133 CO -0.14 0.87 0.23 0.00 -1.00 0.00 0.00 179.01 178.97 3dha h ALA 134 N 1.19 0.63 0.00 3.43 0.00 -1.03 -2.58 119.26 120.91 3dha h ALA 134 Ca 0.16 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3dha h ALA 134 Cb 0.46 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3dha h ALA 134 CO 0.02 0.20 -0.54 0.00 0.00 0.00 0.00 179.25 178.92 3dha h ALA 135 N 1.07 1.07 -0.78 0.00 0.00 -0.86 -0.78 119.26 118.98 3dha h ALA 135 Ca 0.17 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 3dha h ALA 135 Cb 0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3dha h ALA 135 CO -0.02 0.68 0.35 -0.07 0.00 0.00 0.00 179.25 180.19 3dha h LEU 136 N 0.00 1.04 0.00 0.00 3.38 -0.97 -3.35 115.31 115.41 3dha h LEU 136 Ca -0.01 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3dha h LEU 136 Cb 0.98 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3dha h LEU 136 CO 0.07 0.90 -0.99 1.41 0.09 0.00 0.00 178.44 179.92 3dha n HIS 137 N -4.34 0.00 -3.75 1.13 8.25 -0.99 -4.98 115.22 110.53 3dha n HIS 137 Ca 0.07 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.17 3dha n HIS 137 Cb 0.15 -0.12 -0.10 0.00 1.12 0.00 0.00 29.99 31.04 3dha n HIS 137 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3dha s ARG 138 N -2.32 3.94 0.22 -0.41 0.52 -0.31 -4.99 118.95 115.59 3dha s ARG 138 Ca -0.00 -0.34 0.21 0.00 -0.52 0.00 0.00 55.73 55.08 3dha s ARG 138 Cb 0.07 -3.43 0.93 0.00 0.52 0.00 0.00 34.95 33.03 3dha s ARG 138 CO 0.40 0.02 1.65 0.39 0.02 0.00 0.00 175.30 177.78 3dha n GLU 139 N 4.38 0.16 0.24 3.54 1.02 -1.26 -2.33 120.64 126.38 3dha n GLU 139 Ca -0.15 0.42 0.07 0.00 -0.02 0.00 0.00 57.16 57.48 3dha n GLU 139 Cb 0.52 -1.82 0.58 0.00 -0.02 0.00 0.00 31.44 30.70 3dha n GLU 139 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3dha h GLU 140 N 0.00 0.00 -6.85 3.49 3.07 -1.94 -3.43 114.58 108.92 3dha h GLU 140 Ca 0.00 0.00 -0.47 0.00 -0.50 0.00 0.00 59.36 58.39 3dha h GLU 140 Cb 0.30 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 3dha h GLU 140 CO 0.00 0.14 0.34 0.71 -1.40 0.00 0.00 179.01 178.80 3dha s TYR 141 N -4.60 3.73 0.38 4.33 1.51 -0.99 -5.03 117.35 116.68 3dha s TYR 141 Ca -0.04 1.79 -0.25 0.00 -1.01 0.00 0.00 57.07 57.56 3dha s TYR 141 Cb 0.15 -2.92 -0.09 0.00 -0.11 0.00 0.00 41.96 39.00 3dha s TYR 141 CO 0.66 0.25 1.09 -1.64 -1.11 0.00 0.00 175.55 174.81 3dha s MET 142 N -1.93 4.19 0.47 -0.62 -1.94 -1.26 -4.94 119.30 113.27 3dha s MET 142 Ca 0.49 1.65 0.14 0.00 -1.71 0.00 0.00 55.69 56.26 3dha s MET 142 Cb -0.19 -2.66 1.10 0.00 2.01 0.00 0.00 34.83 35.08 3dha s MET 142 CO 0.25 -0.15 2.06 0.87 -0.01 0.00 0.00 175.02 178.04 3dha h LYS 143 N 2.70 0.05 -0.13 2.03 1.79 -1.95 -1.04 116.57 120.02 3dha h LYS 143 Ca -0.48 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.02 3dha h LYS 143 Cb 1.22 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.86 3dha h LYS 143 CO 0.63 0.12 0.17 0.93 -1.08 0.00 0.00 179.45 180.22 3dha h GLU 144 N 0.05 0.00 -0.02 3.15 3.07 -1.94 -2.06 114.58 116.83 3dha h GLU 144 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3dha h GLU 144 Cb 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 3dha h GLU 144 CO 0.01 0.00 -0.07 0.00 -1.40 0.00 0.00 179.01 177.55 3dha n ILE 146 N 0.53 0.97 -1.82 0.00 0.13 -0.78 -4.94 119.36 113.46 3dha n ILE 146 Ca 0.15 -2.67 -0.41 0.00 -1.10 0.00 0.00 62.75 58.73 3dha n ILE 146 Cb 0.46 1.06 0.00 0.00 -0.84 0.00 0.00 39.64 40.33 3dha n ILE 146 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 3dha s LEU 147 N -3.60 4.26 0.29 9.51 1.43 -1.20 -4.90 118.68 124.48 3dha s LEU 147 Ca 0.25 2.99 0.14 0.00 -1.03 0.00 0.00 54.13 56.48 3dha s LEU 147 Cb 0.38 -3.75 0.35 0.00 0.03 0.00 0.00 46.19 43.19 3dha s LEU 147 CO -0.03 -0.96 1.58 1.55 0.23 0.00 0.00 176.35 178.73 3dha h PRO 148 N 2.80 0.00 -0.17 1.29 0.13 -1.99 -3.34 132.00 130.71 3dha h PRO 148 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3dha h PRO 148 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3dha h PRO 148 CO 0.63 0.56 0.00 0.72 -0.23 0.00 0.00 178.00 179.68 3dha n HIS 149 N -3.52 0.50 -1.27 1.56 8.25 -1.26 -4.99 115.22 114.49 3dha n HIS 149 Ca -0.00 -0.81 -0.30 0.00 -0.26 0.00 0.00 57.72 56.35 3dha n HIS 149 Cb 0.64 -0.19 0.11 0.00 1.12 0.00 0.00 29.99 31.67 3dha n HIS 149 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3dha s LEU 150 N -2.35 2.64 -1.34 2.41 1.43 -1.26 -4.92 118.68 115.29 3dha s LEU 150 Ca 0.32 1.61 -0.13 0.00 -1.03 0.00 0.00 54.13 54.90 3dha s LEU 150 Cb 0.25 -4.18 0.11 0.00 0.03 0.00 0.00 46.19 42.39 3dha s LEU 150 CO 0.07 -2.29 1.94 -3.20 0.23 0.00 0.00 176.35 173.11 3dha n ASN 151 N -3.67 4.62 -4.77 2.29 4.05 -1.26 -4.97 115.26 111.55 3dha n ASN 151 Ca 0.08 -2.97 -0.40 0.00 0.45 0.00 0.00 54.58 51.75 3dha n ASN 151 Cb 0.54 -1.59 -0.03 0.00 1.23 0.00 0.00 39.78 39.93 3dha n ASN 151 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 3dha s TYR 152 N 2.11 3.31 -0.59 1.20 2.02 -1.26 -1.09 117.35 123.04 3dha s TYR 152 Ca 0.45 1.60 0.02 0.00 -0.37 0.00 0.00 57.07 58.76 3dha s TYR 152 Cb 0.09 -3.39 0.15 0.00 -0.40 0.00 0.00 41.96 38.41 3dha s TYR 152 CO -0.02 -1.04 0.36 0.21 -1.57 0.00 0.00 175.55 173.49 3dha s LYS 153 N -1.82 2.27 0.13 -0.62 2.20 0.55 -4.79 119.74 117.65 3dha s LYS 153 Ca 0.50 -2.71 -0.30 0.00 -0.36 0.00 0.00 55.97 53.10 3dha s LYS 153 Cb -0.33 -3.49 -0.06 0.00 -1.51 0.00 0.00 37.83 32.44 3dha s LYS 153 CO 0.42 -1.15 1.05 0.42 -0.36 0.00 0.00 175.35 175.73 3dha s ILE 154 N -0.41 4.18 0.28 5.43 -1.09 -1.26 -2.59 121.20 125.74 3dha s ILE 154 Ca 0.18 1.80 0.07 0.00 -2.23 0.00 0.00 60.65 60.47 3dha s ILE 154 Cb -0.21 -4.15 -0.06 0.00 -1.58 0.00 0.00 42.46 36.46 3dha s ILE 154 CO -0.03 0.27 -0.06 0.27 -1.23 0.00 0.00 174.94 174.16 3dha s ILE 155 N 0.06 1.64 -0.22 2.92 -4.36 -0.51 -4.93 121.20 115.81 3dha s ILE 155 Ca 0.50 -2.13 -0.02 0.00 -0.26 0.00 0.00 60.65 58.74 3dha s ILE 155 Cb -0.27 -2.44 0.06 0.00 1.25 0.00 0.00 42.46 41.07 3dha s ILE 155 CO 0.32 -0.31 0.02 -1.61 0.24 0.00 0.00 174.94 173.60 3dha s GLU 156 N -3.73 0.87 1.49 0.37 8.01 -1.26 -0.53 118.70 123.92 3dha s GLU 156 Ca 0.29 -0.62 0.00 0.00 0.01 0.00 0.00 54.97 54.65 3dha s GLU 156 Cb 0.04 -2.20 0.00 0.00 -4.31 0.00 0.00 34.13 27.66 3dha s GLU 156 CO 0.12 -0.67 0.00 0.41 0.01 0.00 0.00 175.26 175.12 3dha n GLY 157 N 4.95 -0.84 3.77 -1.39 0.00 -1.26 -4.91 105.19 105.51 3dha n GLY 157 Ca -0.09 -1.50 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 3dha n GLY 157 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dha s ASP 158 N -4.00 5.58 -0.25 1.61 1.01 -1.26 -4.44 116.67 114.91 3dha s ASP 158 Ca 0.00 2.16 -0.22 0.00 0.71 0.00 0.00 52.55 55.20 3dha s ASP 158 Cb 0.00 -2.58 0.07 0.00 1.01 0.00 0.00 42.92 41.42 3dha s ASP 158 CO 0.00 -1.32 0.66 -0.47 0.21 0.00 0.00 175.17 174.25 3dha s TYR 159 N -1.87 -0.77 -0.33 4.23 5.04 -0.82 -4.99 117.35 117.84 3dha s TYR 159 Ca 0.72 1.81 -0.15 0.00 -2.44 0.00 0.00 57.07 57.01 3dha s TYR 159 Cb -0.24 0.30 -0.02 0.00 0.35 0.00 0.00 41.96 42.36 3dha s TYR 159 CO 0.30 -0.37 0.35 -2.00 -1.34 0.00 0.00 175.55 172.48 3dha s GLU 160 N 0.55 3.61 -0.07 4.97 2.12 -1.26 -0.22 118.70 128.40 3dha s GLU 160 Ca -0.02 -0.39 -0.16 0.00 0.36 0.00 0.00 54.97 54.76 3dha s GLU 160 Cb -0.05 -3.79 -0.12 0.00 0.26 0.00 0.00 34.13 30.43 3dha s GLU 160 CO -0.02 -0.48 0.62 0.28 -0.54 0.00 0.00 175.26 175.12 3dha h VAL 161 N 5.52 0.64 -4.10 3.70 2.07 -1.40 -3.48 116.25 119.19 3dha h VAL 161 Ca -0.30 -1.17 -0.13 0.00 0.82 0.00 0.00 66.70 65.91 3dha h VAL 161 Cb 1.15 1.13 -0.14 0.00 -1.52 0.00 0.00 31.29 31.91 3dha h VAL 161 CO 0.68 0.19 -0.46 0.68 0.02 0.00 0.00 177.57 178.68 3dha s VAL 162 N -2.82 0.09 0.17 2.57 -7.23 -1.24 -5.05 120.40 106.89 3dha s VAL 162 Ca -0.10 -1.59 -0.33 0.00 -1.81 0.00 0.00 61.98 58.15 3dha s VAL 162 Cb -0.00 -1.88 -0.14 0.00 0.56 0.00 0.00 36.38 34.92 3dha s VAL 162 CO 0.36 -0.40 1.56 -2.65 -0.31 0.00 0.00 175.10 173.66 3dha n PRO 163 N -0.15 2.16 -0.04 4.82 -0.02 -1.26 -1.16 135.00 139.34 3dha n PRO 163 Ca -0.07 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3dha n PRO 163 Cb 0.63 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3dha n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dha n GLY 164 N 3.26 0.76 2.80 -1.23 0.00 -1.22 -4.60 105.19 104.96 3dha n GLY 164 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3dha n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dha s VAL 165 N -2.31 1.13 -0.09 1.61 1.01 -0.31 -1.17 120.40 120.28 3dha s VAL 165 Ca 0.00 -1.45 0.01 0.00 0.00 0.00 0.00 61.98 60.54 3dha s VAL 165 Cb 0.00 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 3dha s VAL 165 CO 0.00 -0.56 -0.11 -1.10 0.00 0.00 0.00 175.10 173.33 3dha s GLN 166 N 1.50 2.96 -0.14 2.72 -1.52 -0.48 -0.91 119.66 123.81 3dha s GLN 166 Ca 0.07 -0.64 -0.11 0.00 -1.95 0.00 0.00 55.36 52.74 3dha s GLN 166 Cb -0.18 -2.57 -0.05 0.00 -0.22 0.00 0.00 33.01 30.00 3dha s GLN 166 CO -0.19 0.47 0.23 -0.51 -0.25 0.00 0.00 175.29 175.04 3dha s LEU 167 N -0.30 4.31 -0.20 2.90 1.43 0.69 -0.41 118.68 127.09 3dha s LEU 167 Ca 0.03 0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 53.60 3dha s LEU 167 Cb -0.13 -2.26 -0.00 0.00 0.03 0.00 0.00 46.19 43.83 3dha s LEU 167 CO 0.03 0.23 -0.09 -0.76 0.23 0.00 0.00 176.35 175.99 3dha s LEU 168 N -0.17 2.71 -0.14 1.79 1.43 -0.28 -1.94 118.68 122.07 3dha s LEU 168 Ca 0.15 -0.44 -0.29 0.00 -1.03 0.00 0.00 54.13 52.52 3dha s LEU 168 Cb -0.13 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 3dha s LEU 168 CO 0.04 0.00 1.56 -0.47 0.23 0.00 0.00 176.35 177.72 3dha s TYR 169 N 1.31 2.20 -0.41 0.29 6.04 -1.26 -0.86 117.35 124.66 3dha s TYR 169 Ca 0.04 0.49 0.10 0.00 0.04 0.00 0.00 57.07 57.74 3dha s TYR 169 Cb -0.14 -3.86 0.34 0.00 -1.04 0.00 0.00 41.96 37.26 3dha s TYR 169 CO -0.04 -3.07 0.76 0.25 -1.54 0.00 0.00 175.55 171.90 3dha n THR 170 N 5.82 0.43 -1.24 4.34 -2.24 0.07 -4.93 114.28 116.52 3dha n THR 170 Ca 0.17 -4.74 -0.30 0.00 -2.27 0.00 0.00 64.05 56.91 3dha n THR 170 Cb 0.44 -0.62 0.12 0.00 -2.10 0.00 0.00 70.33 68.17 3dha n THR 170 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3dha s PRO 171 N -2.54 1.63 0.00 -0.78 0.04 -1.14 -4.41 135.00 127.81 3dha s PRO 171 Ca 0.41 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.37 3dha s PRO 171 Cb 0.32 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 33.02 3dha s PRO 171 CO -0.09 -2.01 0.00 0.41 0.04 0.00 0.00 177.00 175.35 3dha n GLY 172 N -1.22 3.00 0.35 0.56 0.00 -1.26 -3.76 105.19 102.87 3dha n GLY 172 Ca 0.08 -0.53 -0.01 0.00 0.00 0.00 0.00 46.02 45.56 3dha n GLY 172 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3dha h HIS 173 N 0.00 1.06 -4.17 1.61 -0.00 -1.80 0.29 115.15 112.14 3dha h HIS 173 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 60.37 60.17 3dha h HIS 173 Cb 0.00 -0.35 -0.15 0.00 -0.00 0.00 0.00 27.41 26.91 3dha h HIS 173 CO 0.00 0.70 -0.66 -1.54 -0.00 0.00 0.00 177.93 176.43 3dha s SER 174 N -6.32 0.65 0.50 3.26 1.04 -1.26 -1.40 113.70 110.18 3dha s SER 174 Ca -0.12 -1.14 0.15 0.00 0.48 0.00 0.00 55.95 55.32 3dha s SER 174 Cb 0.17 0.21 1.21 0.00 0.10 0.00 0.00 66.02 67.72 3dha s SER 174 CO 0.80 -0.64 2.13 -0.65 0.98 0.00 0.00 173.24 175.86 3dha h PRO 175 N 2.88 0.08 -0.38 4.02 0.11 -1.87 -3.05 132.00 133.79 3dha h PRO 175 Ca -0.35 -0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.46 3dha h PRO 175 Cb 1.19 -0.02 -0.33 0.00 0.11 0.00 0.00 31.00 31.95 3dha h PRO 175 CO 0.62 0.05 -0.88 0.41 -0.21 0.00 0.00 178.00 178.00 3dha n GLY 176 N -1.53 3.95 3.77 -0.55 0.00 -1.26 -4.62 105.19 104.94 3dha n GLY 176 Ca -0.02 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 3dha n GLY 176 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3dha s HIS 177 N -2.99 2.50 0.01 1.61 2.46 -1.15 -4.49 115.29 113.23 3dha s HIS 177 Ca 0.39 1.29 0.01 0.00 0.47 0.00 0.00 55.06 57.22 3dha s HIS 177 Cb 0.37 -3.88 -0.01 0.00 -0.13 0.00 0.00 32.58 28.93 3dha s HIS 177 CO -0.04 -2.82 -0.05 1.14 -2.47 0.00 0.00 174.74 170.50 3dha s GLN 178 N -2.44 0.39 0.44 2.88 -2.07 -0.37 -0.75 119.66 117.74 3dha s GLN 178 Ca 0.61 -0.38 0.08 0.00 -1.82 0.00 0.00 55.36 53.84 3dha s GLN 178 Cb -0.43 -0.27 0.00 0.00 -1.09 0.00 0.00 33.01 31.22 3dha s GLN 178 CO 0.55 0.06 0.48 -1.12 -1.32 0.00 0.00 175.29 173.95 3dha s SER 179 N -0.69 5.21 -0.01 12.60 0.01 -0.04 -4.63 113.70 126.17 3dha s SER 179 Ca -0.04 -0.69 0.07 0.00 1.31 0.00 0.00 55.95 56.60 3dha s SER 179 Cb -0.05 -0.44 -0.02 0.00 0.21 0.00 0.00 66.02 65.73 3dha s SER 179 CO -0.00 -0.79 -0.21 -0.76 0.41 0.00 0.00 173.24 171.89 3dha s LEU 180 N -4.27 2.06 -0.23 2.44 1.02 -0.62 -1.13 118.68 117.95 3dha s LEU 180 Ca 0.51 -0.40 0.02 0.00 0.02 0.00 0.00 54.13 54.27 3dha s LEU 180 Cb -0.05 -1.05 0.05 0.00 0.02 0.00 0.00 46.19 45.16 3dha s LEU 180 CO 0.30 0.24 -0.09 0.12 0.02 0.00 0.00 176.35 176.94 3dha s PHE 181 N -0.54 2.73 -0.03 0.29 2.19 0.45 -0.82 117.98 122.26 3dha s PHE 181 Ca 0.08 -1.92 0.07 0.00 0.33 0.00 0.00 56.93 55.49 3dha s PHE 181 Cb -0.08 -1.73 -0.02 0.00 -1.31 0.00 0.00 43.02 39.87 3dha s PHE 181 CO -0.00 -0.81 -0.24 0.42 1.83 0.00 0.00 175.22 176.42 3dha s ILE 182 N 1.28 2.25 -0.30 3.12 1.01 0.09 -1.38 121.20 127.27 3dha s ILE 182 Ca -0.05 -1.04 -0.08 0.00 0.00 0.00 0.00 60.65 59.48 3dha s ILE 182 Cb -0.18 -1.80 0.00 0.00 0.01 0.00 0.00 42.46 40.49 3dha s ILE 182 CO -0.07 0.58 0.11 -1.61 0.00 0.00 0.00 174.94 173.95 3dha s GLU 183 N -0.63 3.18 0.20 2.79 0.41 -0.31 -0.20 118.70 124.14 3dha s GLU 183 Ca 0.10 -0.81 0.07 0.00 -0.41 0.00 0.00 54.97 53.93 3dha s GLU 183 Cb -0.10 -3.44 -0.04 0.00 -1.78 0.00 0.00 34.13 28.77 3dha s GLU 183 CO -0.01 -0.43 0.04 0.95 -0.49 0.00 0.00 175.26 175.32 3dha s THR 184 N 1.54 3.87 0.25 3.63 -4.23 -0.03 -0.63 115.64 120.04 3dha s THR 184 Ca 0.03 -1.47 -0.02 0.00 -1.18 0.00 0.00 61.69 59.06 3dha s THR 184 Cb -0.17 -2.99 0.09 0.00 1.34 0.00 0.00 72.50 70.76 3dha s THR 184 CO 0.04 -0.19 1.72 -0.08 -0.54 0.00 0.00 174.62 175.57 3dha h GLU 185 N 2.34 0.72 0.00 3.99 4.81 -1.09 -1.01 114.58 124.35 3dha h GLU 185 Ca -0.47 -0.23 -0.08 0.00 -0.13 0.00 0.00 59.36 58.45 3dha h GLU 185 Cb 1.22 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 3dha h GLU 185 CO 0.60 0.81 -0.59 1.96 -0.73 0.00 0.00 179.01 181.05 3dha h GLN 186 N 0.66 0.00 0.00 1.92 1.08 -1.83 -3.40 115.11 113.54 3dha h GLN 186 Ca 0.12 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 3dha h GLN 186 Cb 0.56 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 3dha h GLN 186 CO 0.03 0.30 -0.25 0.43 -0.95 0.00 0.00 178.83 178.39 3dha n SER 187 N -3.08 1.26 0.00 1.46 7.64 -1.21 -5.12 113.62 114.57 3dha n SER 187 Ca 0.00 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.65 3dha n SER 187 Cb 0.69 0.72 0.00 0.00 -1.01 0.00 0.00 64.21 64.61 3dha n SER 187 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dha n GLY 188 N 1.10 0.20 3.71 0.23 0.00 -0.39 -4.86 105.19 105.19 3dha n GLY 188 Ca 0.00 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 3dha n GLY 188 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dha s SER 189 N -4.00 7.31 -0.07 1.61 0.01 -1.26 -0.85 113.70 116.44 3dha s SER 189 Ca 0.00 1.76 0.02 0.00 1.31 0.00 0.00 55.95 59.05 3dha s SER 189 Cb 0.00 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.67 3dha s SER 189 CO 0.00 -0.29 -0.14 -0.69 0.41 0.00 0.00 173.24 172.53 3dha s VAL 190 N 0.92 1.27 -0.26 3.43 1.01 0.73 -1.65 120.40 125.84 3dha s VAL 190 Ca 0.53 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 3dha s VAL 190 Cb -0.23 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 3dha s VAL 190 CO 0.29 0.39 0.07 -0.22 0.00 0.00 0.00 175.10 175.62 3dha s LEU 191 N 0.69 3.52 -0.51 3.92 2.96 0.33 -0.73 118.68 128.86 3dha s LEU 191 Ca -0.14 -0.35 -0.16 0.00 -0.22 0.00 0.00 54.13 53.26 3dha s LEU 191 Cb -0.16 -1.90 0.09 0.00 0.50 0.00 0.00 46.19 44.72 3dha s LEU 191 CO 0.03 -0.08 0.48 -0.76 -1.32 0.00 0.00 176.35 174.70 3dha s LEU 192 N 1.58 5.74 0.45 -0.68 1.43 0.00 -1.19 118.68 126.01 3dha s LEU 192 Ca 0.05 -1.45 0.21 0.00 -1.03 0.00 0.00 54.13 51.92 3dha s LEU 192 Cb -0.16 -2.23 1.08 0.00 0.03 0.00 0.00 46.19 44.92 3dha s LEU 192 CO 0.03 -0.78 1.93 0.71 0.23 0.00 0.00 176.35 178.47 3dha h THR 193 N 5.82 0.81 0.00 5.49 1.35 -1.52 -1.66 112.91 123.20 3dha h THR 193 Ca -0.29 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 3dha h THR 193 Cb 1.10 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 3dha h THR 193 CO 0.96 0.23 0.00 -0.38 -0.25 0.00 0.00 175.52 176.07 3dha n ILE 194 N -3.75 0.00 -0.24 6.82 2.08 -1.26 -2.20 119.36 120.82 3dha n ILE 194 Ca -0.01 0.00 0.06 0.00 0.56 0.00 0.00 62.75 63.35 3dha n ILE 194 Cb 0.34 0.00 0.28 0.00 -0.75 0.00 0.00 39.64 39.51 3dha n ILE 194 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3dha n ASP 195 N 1.60 4.12 0.17 4.38 9.92 -1.26 -2.14 116.55 133.34 3dha n ASP 195 Ca 0.00 -2.54 0.13 0.00 -0.53 0.00 0.00 54.79 51.85 3dha n ASP 195 Cb 0.00 -0.58 0.56 0.00 -0.64 0.00 0.00 41.12 40.46 3dha n ASP 195 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3dha h ALA 196 N 3.55 1.00 -1.70 2.24 0.00 -1.75 -3.40 119.26 119.20 3dha h ALA 196 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3dha h ALA 196 Cb 1.41 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.96 3dha h ALA 196 CO 0.29 0.00 -0.28 -1.12 0.00 0.00 0.00 179.25 178.14 3dha s SER 197 N -4.46 -0.85 0.22 0.00 0.01 -1.21 -4.77 113.70 102.64 3dha s SER 197 Ca 0.02 0.99 -0.07 0.00 1.31 0.00 0.00 55.95 58.20 3dha s SER 197 Cb 0.09 1.90 0.17 0.00 0.21 0.00 0.00 66.02 68.39 3dha s SER 197 CO 0.39 -0.25 1.80 1.88 0.41 0.00 0.00 173.24 177.46 3dha h TYR 198 N 8.06 1.22 -3.54 2.43 0.05 -1.78 -2.28 116.97 121.13 3dha h TYR 198 Ca -0.20 -0.07 -0.33 0.00 0.05 0.00 0.00 58.73 58.18 3dha h TYR 198 Cb 1.13 -0.37 -0.14 0.00 1.01 0.00 0.00 36.73 38.35 3dha h TYR 198 CO 0.15 0.90 -0.66 0.95 -1.05 0.00 0.00 178.16 178.45 3dha s THR 199 N -5.63 0.87 0.32 -2.88 -4.23 -1.26 -0.56 115.64 102.28 3dha s THR 199 Ca -0.12 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.41 3dha s THR 199 Cb 0.16 -2.20 0.29 0.00 1.34 0.00 0.00 72.50 72.10 3dha s THR 199 CO 0.84 -0.43 1.90 0.50 -0.54 0.00 0.00 174.62 176.89 3dha h LYS 200 N 2.60 0.86 0.00 3.99 3.64 -1.97 -1.63 116.57 124.06 3dha h LYS 200 Ca -0.37 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 58.87 3dha h LYS 200 Cb 1.21 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 3dha h LYS 200 CO 0.63 0.57 -0.40 1.05 -2.27 0.00 0.00 179.45 179.03 3dha h GLU 201 N 0.88 0.00 -0.35 1.90 4.11 -1.97 0.15 114.58 119.30 3dha h GLU 201 Ca 0.40 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.81 3dha h GLU 201 Cb 0.38 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3dha h GLU 201 CO -0.17 0.40 0.10 -0.91 0.07 0.00 0.00 179.01 178.51 3dha h ASN 202 N 0.00 0.46 0.00 3.06 -0.26 -1.50 -1.45 115.58 115.89 3dha h ASN 202 Ca -0.00 -0.05 -0.04 0.00 -0.56 0.00 0.00 56.30 55.65 3dha h ASN 202 Cb 0.76 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.90 3dha h ASN 202 CO 0.05 0.45 -0.52 0.15 -1.06 0.00 0.00 177.43 176.51 3dha h PHE 203 N 0.50 0.00 -0.59 1.19 3.04 -1.12 -2.84 116.94 117.12 3dha h PHE 203 Ca 0.12 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.03 3dha h PHE 203 Cb 0.16 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.65 3dha h PHE 203 CO 0.01 0.27 0.22 0.93 -2.02 0.00 0.00 178.31 177.71 3dha h GLU 204 N -1.00 0.89 -0.01 1.11 5.08 -0.85 -3.26 114.58 116.54 3dha h GLU 204 Ca -0.05 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3dha h GLU 204 Cb 0.56 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3dha h GLU 204 CO -0.03 0.77 -0.07 -0.25 -1.00 0.00 0.00 179.01 178.43 3dha n ASP 205 N -4.45 1.88 -3.44 1.42 8.00 -0.58 -4.95 116.55 114.42 3dha n ASP 205 Ca 0.03 -1.44 -0.24 0.00 0.71 0.00 0.00 54.79 53.85 3dha n ASP 205 Cb 0.18 0.13 0.06 0.00 -0.02 0.00 0.00 41.12 41.47 3dha n ASP 205 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3dha n GLU 206 N 0.46 -6.50 -2.21 -1.24 1.02 -0.98 -4.93 120.64 106.27 3dha n GLU 206 Ca 0.07 0.81 -0.42 0.00 -0.02 0.00 0.00 57.16 57.60 3dha n GLU 206 Cb 0.31 -5.78 -0.03 0.00 -0.02 0.00 0.00 31.44 25.92 3dha n GLU 206 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3dha s VAL 207 N -3.26 3.64 0.67 2.62 1.01 -1.05 -4.98 120.40 119.07 3dha s VAL 207 Ca 0.50 1.05 -0.15 0.00 0.00 0.00 0.00 61.98 63.38 3dha s VAL 207 Cb -0.23 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.48 3dha s VAL 207 CO 0.62 0.01 1.15 -2.84 0.00 0.00 0.00 175.10 174.03 3dha s PRO 208 N 2.25 2.62 0.26 2.72 0.02 -1.26 -4.38 135.00 137.22 3dha s PRO 208 Ca 0.64 1.55 -0.12 0.00 0.02 0.00 0.00 61.00 63.09 3dha s PRO 208 Cb -0.32 -1.91 -0.00 0.00 0.02 0.00 0.00 34.50 32.28 3dha s PRO 208 CO 0.27 -1.42 0.49 -0.59 -0.33 0.00 0.00 177.00 175.41 3dha s PHE 209 N -2.15 0.42 0.29 6.54 -0.12 -1.26 -1.08 117.98 120.62 3dha s PHE 209 Ca 0.70 -0.78 -0.30 0.00 -0.05 0.00 0.00 56.93 56.50 3dha s PHE 209 Cb -0.24 0.18 -0.12 0.00 -0.63 0.00 0.00 43.02 42.21 3dha s PHE 209 CO 0.41 -1.02 1.52 0.00 -0.05 0.00 0.00 175.22 176.08 3dha n ALA 210 N -0.40 2.07 0.00 1.99 0.00 -0.36 -4.91 120.51 118.90 3dha n ALA 210 Ca -0.02 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3dha n ALA 210 Cb 0.62 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.67 3dha n ALA 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dha n GLY 211 N 1.96 0.69 0.22 0.00 0.00 -1.26 -4.83 105.19 101.97 3dha n GLY 211 Ca 0.09 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 3dha n GLY 211 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3dha h PHE 212 N 0.00 0.75 -2.61 1.61 3.57 -0.77 -3.41 116.94 116.08 3dha h PHE 212 Ca 0.00 -0.12 -0.54 0.00 3.53 0.00 0.00 57.97 60.84 3dha h PHE 212 Cb 0.00 -0.20 -0.39 0.00 2.79 0.00 0.00 35.95 38.15 3dha h PHE 212 CO 0.00 0.76 -0.81 0.34 -2.23 0.00 0.00 178.31 176.37 3dha s ASP 213 N -6.17 3.04 0.44 0.41 3.68 0.05 -5.02 116.67 113.11 3dha s ASP 213 Ca -0.13 -1.76 0.13 0.00 2.13 0.00 0.00 52.55 52.92 3dha s ASP 213 Cb 0.10 -0.29 1.03 0.00 -1.45 0.00 0.00 42.92 42.30 3dha s ASP 213 CO 0.79 -0.36 2.02 -0.65 0.13 0.00 0.00 175.17 177.10 3dha h PRO 214 N 7.60 0.37 -0.40 4.34 0.11 -1.79 -0.17 132.00 142.07 3dha h PRO 214 Ca -0.05 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.91 3dha h PRO 214 Cb 0.99 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 3dha h PRO 214 CO 0.33 0.25 -0.25 1.49 -0.21 0.00 0.00 178.00 179.61 3dha h GLU 215 N 0.39 0.87 -0.13 1.05 4.81 -1.95 -1.30 114.58 118.33 3dha h GLU 215 Ca 0.21 -0.40 -0.14 0.00 -0.13 0.00 0.00 59.36 58.90 3dha h GLU 215 Cb 0.35 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3dha h GLU 215 CO -0.05 1.05 -0.53 1.25 -0.73 0.00 0.00 179.01 179.99 3dha h LEU 216 N 0.68 0.40 -0.95 1.64 6.46 -1.70 -2.24 115.31 119.60 3dha h LEU 216 Ca 0.08 -0.21 0.03 0.00 -0.12 0.00 0.00 57.88 57.66 3dha h LEU 216 Cb 0.82 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.58 3dha h LEU 216 CO 0.07 0.85 0.62 0.00 -0.62 0.00 0.00 178.44 179.37 3dha h ALA 217 N 1.15 1.24 -0.36 1.25 0.00 -0.74 -0.04 119.26 121.77 3dha h ALA 217 Ca 0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3dha h ALA 217 Cb 1.03 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3dha h ALA 217 CO 0.09 0.52 0.06 1.25 0.00 0.00 0.00 179.25 181.18 3dha h LEU 218 N 1.22 0.57 -1.43 0.00 5.85 -0.92 -1.44 115.31 119.17 3dha h LEU 218 Ca 0.37 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3dha h LEU 218 Cb -0.04 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 3dha h LEU 218 CO -0.11 0.68 0.10 0.77 -0.34 0.00 0.00 178.44 179.55 3dha h SER 219 N 0.44 0.43 -0.17 1.25 4.64 -0.87 -0.19 113.55 119.08 3dha h SER 219 Ca 0.11 -0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.26 3dha h SER 219 Cb 0.35 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3dha h SER 219 CO 0.01 0.43 -0.30 0.28 -0.87 0.00 0.00 176.83 176.37 3dha h SER 220 N 0.47 0.69 -0.50 4.97 0.02 -0.63 -1.28 113.55 117.29 3dha h SER 220 Ca 0.11 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.81 3dha h SER 220 Cb 0.16 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 3dha h SER 220 CO -0.01 0.95 0.32 0.40 -1.14 0.00 0.00 176.83 177.35 3dha h ILE 221 N 0.57 1.09 -0.89 3.27 2.04 -0.67 -0.77 117.51 122.14 3dha h ILE 221 Ca 0.07 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.74 3dha h ILE 221 Cb 0.80 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 3dha h ILE 221 CO 0.07 0.12 0.59 0.11 0.00 0.00 0.00 178.15 179.03 3dha h LYS 222 N 0.64 1.10 -0.47 2.37 1.79 -0.76 0.16 116.57 121.40 3dha h LYS 222 Ca 0.19 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 58.53 3dha h LYS 222 Cb -0.03 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.35 3dha h LYS 222 CO -0.06 0.72 0.03 -0.09 -1.08 0.00 0.00 179.45 178.97 3dha h ARG 223 N 1.13 0.81 -0.43 3.15 2.43 -0.92 -2.34 114.38 118.21 3dha h ARG 223 Ca 0.35 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3dha h ARG 223 Cb -0.00 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3dha h ARG 223 CO -0.10 0.84 0.14 -0.07 -1.51 0.00 0.00 179.97 179.27 3dha h LEU 224 N 0.67 0.58 -1.25 3.80 3.38 -0.51 -1.50 115.31 120.47 3dha h LEU 224 Ca 0.14 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3dha h LEU 224 Cb 0.46 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3dha h LEU 224 CO 0.02 0.56 -0.00 0.11 0.09 0.00 0.00 178.44 179.21 3dha h LYS 225 N 0.62 0.51 -0.60 1.13 1.57 -0.38 0.36 116.57 119.78 3dha h LYS 225 Ca 0.15 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 3dha h LYS 225 Cb 0.19 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3dha h LYS 225 CO -0.01 0.54 0.16 0.93 -0.57 0.00 0.00 179.45 180.50 3dha h GLU 226 N 0.49 0.95 -0.57 3.15 4.39 -0.77 -1.37 114.58 120.84 3dha h GLU 226 Ca 0.11 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.59 3dha h GLU 226 Cb 0.32 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 3dha h GLU 226 CO 0.01 0.86 0.36 0.28 -1.16 0.00 0.00 179.01 179.36 3dha h VAL 227 N 0.86 1.16 -0.88 3.13 2.07 -0.71 -2.70 116.25 119.18 3dha h VAL 227 Ca 0.19 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3dha h VAL 227 Cb 0.33 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 3dha h VAL 227 CO -0.00 0.16 0.46 0.58 0.02 0.00 0.00 177.57 178.78 3dha h VAL 228 N 0.77 1.26 -0.49 2.57 2.07 -0.73 -0.01 116.25 121.69 3dha h VAL 228 Ca 0.21 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3dha h VAL 228 Cb -0.05 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 3dha h VAL 228 CO -0.04 0.30 0.18 0.11 0.02 0.00 0.00 177.57 178.14 3dha h LYS 229 N 1.25 0.71 0.14 1.57 1.57 -1.04 0.18 116.57 120.95 3dha h LYS 229 Ca 0.31 -0.11 -0.32 0.00 -1.87 0.00 0.00 60.65 58.66 3dha h LYS 229 Cb 0.07 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 3dha h LYS 229 CO -0.04 0.60 -1.58 0.87 -0.57 0.00 0.00 179.45 178.73 3dha h LYS 230 N 0.70 0.30 0.00 3.15 1.57 -1.11 -3.39 116.57 117.79 3dha h LYS 230 Ca 0.17 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3dha h LYS 230 Cb 0.17 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3dha h LYS 230 CO -0.01 1.18 -1.59 0.39 -0.57 0.00 0.00 179.45 178.84 3dha n GLU 231 N -3.50 0.70 -3.83 3.15 -0.58 -0.07 -5.03 120.64 111.48 3dha n GLU 231 Ca -0.18 -0.13 -0.30 0.00 -0.42 0.00 0.00 57.16 56.13 3dha n GLU 231 Cb 1.05 -1.37 0.02 0.00 -0.57 0.00 0.00 31.44 30.57 3dha n GLU 231 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3dha n LYS 232 N -1.96 -2.03 -2.10 3.49 4.01 0.63 -4.89 118.16 115.30 3dha n LYS 232 Ca -0.02 0.40 -0.28 0.00 -0.51 0.00 0.00 58.31 57.90 3dha n LYS 232 Cb 0.40 -4.16 0.05 0.00 -0.51 0.00 0.00 35.03 30.81 3dha n LYS 232 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 3dha s PRO 233 N -6.35 2.61 0.12 1.97 0.04 -1.26 -4.89 135.00 127.24 3dha s PRO 233 Ca 0.28 0.13 -0.31 0.00 0.04 0.00 0.00 61.00 61.14 3dha s PRO 233 Cb -0.11 -2.11 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 3dha s PRO 233 CO 0.88 -1.06 1.29 0.42 0.04 0.00 0.00 177.00 178.57 3dha s ILE 234 N -3.26 3.56 -0.10 0.56 1.01 -0.66 -4.87 121.20 117.44 3dha s ILE 234 Ca 0.58 1.17 0.03 0.00 0.00 0.00 0.00 60.65 62.43 3dha s ILE 234 Cb -0.11 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 3dha s ILE 234 CO 0.48 0.12 -0.21 -0.63 0.00 0.00 0.00 174.94 174.70 3dha s ILE 235 N 0.74 2.33 -0.10 2.92 1.01 -1.26 -0.52 121.20 126.32 3dha s ILE 235 Ca 0.60 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 60.36 3dha s ILE 235 Cb -0.34 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.22 3dha s ILE 235 CO 0.32 0.55 -0.24 -0.36 0.00 0.00 0.00 174.94 175.21 3dha s PHE 236 N 0.28 2.55 0.39 3.97 0.40 -0.34 -4.99 117.98 120.25 3dha s PHE 236 Ca -0.15 -1.05 0.04 0.00 -0.60 0.00 0.00 56.93 55.17 3dha s PHE 236 Cb -0.17 -1.71 -0.00 0.00 0.51 0.00 0.00 43.02 41.65 3dha s PHE 236 CO 0.08 -0.42 0.56 -0.06 0.70 0.00 0.00 175.22 176.07 3dha s PHE 237 N 0.34 3.13 0.07 0.36 0.08 -1.26 -1.47 117.98 119.24 3dha s PHE 237 Ca -0.19 -0.06 -0.12 0.00 0.12 0.00 0.00 56.93 56.68 3dha s PHE 237 Cb -0.18 -2.15 -0.25 0.00 -0.57 0.00 0.00 43.02 39.86 3dha s PHE 237 CO 0.09 -0.18 1.15 0.78 -0.10 0.00 0.00 175.22 176.95 3dha h GLY 238 N 0.67 0.65 -5.63 4.36 0.00 -0.87 -3.41 103.07 98.84 3dha h GLY 238 Ca -0.46 -1.31 -0.42 0.00 0.00 0.00 0.00 47.33 45.14 3dha h GLY 238 CO 0.54 1.15 -0.90 1.42 0.00 0.00 0.00 176.54 178.76 3dha n HIS 239 N -3.77 -1.29 -3.96 5.60 8.25 0.28 -4.78 115.22 115.56 3dha n HIS 239 Ca -0.12 -3.00 -0.33 0.00 -0.26 0.00 0.00 57.72 54.01 3dha n HIS 239 Cb 0.96 0.35 -0.14 0.00 1.12 0.00 0.00 29.99 32.27 3dha n HIS 239 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dha s ASP 240 N -1.59 4.87 0.36 0.41 -1.08 -1.14 -4.53 116.67 113.98 3dha s ASP 240 Ca 0.34 -2.01 0.08 0.00 -0.52 0.00 0.00 52.55 50.43 3dha s ASP 240 Cb 0.24 -1.68 0.69 0.00 -1.46 0.00 0.00 42.92 40.71 3dha s ASP 240 CO -0.13 -0.40 1.88 0.40 0.52 0.00 0.00 175.17 177.44 3dha h ILE 241 N 6.55 1.20 -0.02 4.11 1.08 -1.92 -0.51 117.51 128.00 3dha h ILE 241 Ca -0.09 -0.87 -0.01 0.00 -0.39 0.00 0.00 64.86 63.50 3dha h ILE 241 Cb 1.03 1.20 -0.00 0.00 -3.07 0.00 0.00 36.82 35.98 3dha h ILE 241 CO 0.56 0.28 -0.02 -0.33 -0.69 0.00 0.00 178.15 177.95 3dha h GLU 242 N 0.30 0.05 -0.07 2.37 4.39 -1.99 -3.25 114.58 116.37 3dha h GLU 242 Ca 0.06 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 3dha h GLU 242 Cb 0.42 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 3dha h GLU 242 CO 0.02 0.53 -0.31 0.37 -1.16 0.00 0.00 179.01 178.46 3dha h GLN 243 N -0.43 0.14 -0.21 2.33 4.15 -1.94 -2.09 115.11 117.06 3dha h GLN 243 Ca 0.00 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.43 3dha h GLN 243 Cb 0.52 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 3dha h GLN 243 CO 0.00 0.44 0.17 1.49 -1.93 0.00 0.00 178.83 179.01 3dha h GLU 244 N 0.12 0.00 0.00 1.69 4.81 -1.13 -0.30 114.58 119.77 3dha h GLU 244 Ca 0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3dha h GLU 244 Cb 0.62 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.00 3dha h GLU 244 CO 0.04 0.00 -0.02 0.87 -0.73 0.00 0.00 179.01 179.18 3dha h LYS 245 N 0.00 0.00 -0.01 1.92 1.57 -1.43 -2.89 116.57 115.73 3dha h LYS 245 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3dha h LYS 245 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3dha h LYS 245 CO -0.00 0.02 -0.01 -1.13 -0.57 0.00 0.00 179.45 177.75 3dha n SER 246 N -3.21 1.35 -4.77 0.86 3.41 -0.16 -5.03 113.62 106.06 3dha n SER 246 Ca -0.02 -1.17 -0.38 0.00 -0.26 0.00 0.00 58.87 57.04 3dha n SER 246 Cb 0.16 0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 3dha n SER 246 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dha s ARG 248 N -2.32 4.28 0.33 0.00 0.52 -1.26 -5.05 118.95 115.44 3dha s ARG 248 Ca 0.57 0.88 0.10 0.00 -0.52 0.00 0.00 55.73 56.76 3dha s ARG 248 Cb -0.30 -3.57 -0.06 0.00 0.52 0.00 0.00 34.95 31.55 3dha s ARG 248 CO 0.38 -0.27 -0.10 0.14 0.02 0.00 0.00 175.30 175.47 3dha s VAL 249 N 1.97 2.42 0.07 3.52 -7.23 -1.26 -4.49 120.40 115.39 3dha s VAL 249 Ca 0.35 -2.20 -0.36 0.00 -1.81 0.00 0.00 61.98 57.96 3dha s VAL 249 Cb -0.16 -2.60 -0.19 0.00 0.56 0.00 0.00 36.38 33.98 3dha s VAL 249 CO 0.12 -0.25 0.95 0.33 -0.31 0.00 0.00 175.10 175.93 3dha n PHE 250 N -0.79 0.43 1.58 2.82 -0.00 -0.33 -0.84 117.46 120.33 3dha n PHE 250 Ca -0.05 0.99 0.11 0.00 -0.00 0.00 0.00 57.45 58.51 3dha n PHE 250 Cb 0.62 -2.08 0.51 0.00 -0.00 0.00 0.00 39.48 38.53 3dha n PHE 250 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3dha n PRO 251 N 1.43 1.43 -1.47 -7.13 -0.04 -1.26 -5.04 135.00 122.92 3dha n PRO 251 Ca 0.19 -0.64 -0.32 0.00 -0.04 0.00 0.00 63.50 62.69 3dha n PRO 251 Cb 0.14 -1.39 0.07 0.00 -0.04 0.00 0.00 33.50 32.29 3dha n PRO 251 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3dha s GLU 252 N -1.91 2.43 0.14 0.54 0.41 -0.02 -5.06 118.70 115.24 3dha s GLU 252 Ca 0.33 1.33 -0.07 0.00 -0.41 0.00 0.00 54.97 56.16 3dha s GLU 252 Cb 0.17 -1.91 -0.02 0.00 -1.78 0.00 0.00 34.13 30.60 3dha s GLU 252 CO 0.27 -1.53 0.21 1.52 -0.49 0.00 0.00 175.26 175.24 3dha s TYR 253 N -2.56 0.48 0.00 1.61 1.13 -1.26 -4.51 117.35 112.23 3dha s TYR 253 Ca 0.65 -0.86 0.00 0.00 -1.41 0.00 0.00 57.07 55.45 3dha s TYR 253 Cb -0.20 -0.16 0.00 0.00 -1.10 0.00 0.00 41.96 40.50 3dha s TYR 253 CO 0.49 -0.64 0.42 0.44 -2.51 0.00 0.00 175.55 173.74