#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5o s THR 2 N 0.00 4.65 -0.27 3.57 2.01 0.50 -4.75 115.64 121.35 3d5o s THR 2 Ca 0.00 0.18 -0.07 0.00 0.31 0.00 0.00 61.69 62.12 3d5o s THR 2 Cb 0.00 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 3d5o s THR 2 CO 0.00 -0.78 0.07 -0.62 -0.69 0.00 0.00 174.62 172.59 3d5o s ASP 3 N -4.15 5.06 0.00 3.53 2.15 -1.26 -1.13 116.67 120.87 3d5o s ASP 3 Ca 0.49 -0.46 0.19 0.00 0.43 0.00 0.00 52.55 53.20 3d5o s ASP 3 Cb -0.10 -1.89 0.38 0.00 -0.30 0.00 0.00 42.92 41.00 3d5o s ASP 3 CO 0.45 -0.11 1.31 0.18 -0.17 0.00 0.00 175.17 176.83 3d5o n LEU 4 N 4.89 3.20 -4.09 -1.34 4.77 -0.65 -5.00 117.00 118.78 3d5o n LEU 4 Ca -0.16 -1.60 -0.50 0.00 -0.03 0.00 0.00 56.01 53.72 3d5o n LEU 4 Cb 0.50 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 3d5o n LEU 4 CO 0.31 0.72 0.33 -1.20 -1.33 0.00 0.00 177.39 176.22 3d5o n SER 5 N 1.18 -0.41 -1.07 -1.43 7.64 -1.26 -0.26 113.62 118.01 3d5o n SER 5 Ca 0.16 1.05 -0.14 0.00 1.01 0.00 0.00 58.87 60.96 3d5o n SER 5 Cb 0.52 -0.85 -0.06 0.00 -1.01 0.00 0.00 64.21 62.81 3d5o n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d5o n GLY 6 N 1.54 1.41 3.27 0.23 0.00 -1.26 -4.98 105.19 105.39 3d5o n GLY 6 Ca 0.18 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3d5o n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d5o s LYS 7 N -3.11 1.12 0.04 1.61 1.02 0.65 -1.70 119.74 119.36 3d5o s LYS 7 Ca 0.00 -1.44 -0.01 0.00 0.02 0.00 0.00 55.97 54.54 3d5o s LYS 7 Cb 0.00 -0.80 -0.04 0.00 -0.52 0.00 0.00 37.83 36.47 3d5o s LYS 7 CO 0.00 0.12 -0.03 0.14 -0.92 0.00 0.00 175.35 174.66 3d5o s VAL 8 N -3.01 0.20 -0.06 3.17 -7.23 0.83 -4.44 120.40 109.86 3d5o s VAL 8 Ca 0.17 -1.63 -0.15 0.00 -1.81 0.00 0.00 61.98 58.55 3d5o s VAL 8 Cb 0.00 -1.27 -0.05 0.00 0.56 0.00 0.00 36.38 35.62 3d5o s VAL 8 CO 0.03 -0.90 0.41 -0.36 -0.31 0.00 0.00 175.10 173.96 3d5o s PHE 9 N -3.43 3.63 -0.14 2.82 0.08 0.38 -1.22 117.98 120.10 3d5o s PHE 9 Ca 0.02 0.90 0.02 0.00 0.12 0.00 0.00 56.93 57.99 3d5o s PHE 9 Cb 0.04 -2.36 0.02 0.00 -0.57 0.00 0.00 43.02 40.15 3d5o s PHE 9 CO -0.08 0.46 -0.18 0.54 -0.10 0.00 0.00 175.22 175.86 3d5o s VAL 10 N -0.40 1.80 -0.72 -0.44 0.11 0.49 -1.09 120.40 120.15 3d5o s VAL 10 Ca 0.23 -0.80 -0.13 0.00 -2.93 0.00 0.00 61.98 58.35 3d5o s VAL 10 Cb -0.16 -1.62 0.19 0.00 -1.53 0.00 0.00 36.38 33.26 3d5o s VAL 10 CO 0.11 0.50 0.65 -0.36 -3.33 0.00 0.00 175.10 172.67 3d5o s PHE 11 N 1.08 3.59 0.09 1.54 0.08 0.05 -2.22 117.98 122.19 3d5o s PHE 11 Ca -0.02 -1.87 -0.31 0.00 0.12 0.00 0.00 56.93 54.85 3d5o s PHE 11 Cb -0.14 -3.74 -0.15 0.00 -0.57 0.00 0.00 43.02 38.41 3d5o s PHE 11 CO -0.05 -0.99 1.63 -1.35 -0.10 0.00 0.00 175.22 174.36 3d5o h PRO 12 N 8.04 -0.71 0.00 0.24 0.11 -1.83 -2.86 132.00 134.99 3d5o h PRO 12 Ca -0.03 0.05 -0.50 0.00 0.11 0.00 0.00 66.00 65.63 3d5o h PRO 12 Cb 1.05 0.16 0.01 0.00 0.11 0.00 0.00 31.00 32.33 3d5o h PRO 12 CO 0.83 -0.47 -0.11 0.54 -0.21 0.00 0.00 178.00 178.58 3d5o n ARG 13 N -5.44 0.62 -4.00 1.05 3.00 -1.26 -4.92 116.66 105.72 3d5o n ARG 13 Ca -0.11 -3.18 -0.34 0.00 -0.01 0.00 0.00 57.85 54.21 3d5o n ARG 13 Cb 0.33 -0.12 -0.15 0.00 0.00 0.00 0.00 32.46 32.53 3d5o n ARG 13 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 3d5o s GLU 14 N -4.55 2.86 0.04 5.56 -1.05 -1.26 -4.78 118.70 115.52 3d5o s GLU 14 Ca 0.55 -0.95 -0.04 0.00 -0.15 0.00 0.00 54.97 54.37 3d5o s GLU 14 Cb -0.04 -2.89 -0.02 0.00 -0.44 0.00 0.00 34.13 30.74 3d5o s GLU 14 CO 0.35 -0.36 0.06 -1.54 0.95 0.00 0.00 175.26 174.72 3d5o s SER 15 N 1.31 0.23 0.20 0.83 1.04 -1.26 -5.03 113.70 111.01 3d5o s SER 15 Ca 0.01 -0.59 0.25 0.00 0.48 0.00 0.00 55.95 56.09 3d5o s SER 15 Cb -0.16 0.21 0.90 0.00 0.10 0.00 0.00 66.02 67.07 3d5o s SER 15 CO -0.06 -0.50 1.76 0.52 0.98 0.00 0.00 173.24 175.93 3d5o n VAL 16 N 0.77 0.63 -0.11 5.02 0.31 -1.26 -4.15 118.33 119.53 3d5o n VAL 16 Ca -0.19 -0.07 -0.24 0.00 -0.01 0.00 0.00 64.34 63.83 3d5o n VAL 16 Cb 0.58 -0.78 -0.10 0.00 -0.91 0.00 0.00 33.84 32.63 3d5o n VAL 16 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3d5o n THR 17 N -2.15 1.53 -1.68 2.52 -2.24 -1.26 -4.91 114.28 106.09 3d5o n THR 17 Ca 0.04 -0.14 -0.45 0.00 -2.27 0.00 0.00 64.05 61.24 3d5o n THR 17 Cb 0.35 -2.01 -0.04 0.00 -2.10 0.00 0.00 70.33 66.53 3d5o n THR 17 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3d5o n ASP 18 N -4.38 3.38 -3.11 3.42 5.75 -1.26 -4.86 116.55 115.49 3d5o n ASP 18 Ca -0.39 1.06 -0.06 0.00 -0.01 0.00 0.00 54.79 55.40 3d5o n ASP 18 Cb 0.73 -1.46 0.02 0.00 -1.03 0.00 0.00 41.12 39.39 3d5o n ASP 18 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 3d5o s HIS 19 N 1.39 0.11 -0.04 2.11 -3.43 -0.72 -4.41 115.29 110.31 3d5o s HIS 19 Ca 0.80 -0.66 0.01 0.00 -0.80 0.00 0.00 55.06 54.41 3d5o s HIS 19 Cb -0.63 0.77 0.02 0.00 -1.43 0.00 0.00 32.58 31.32 3d5o s HIS 19 CO 0.38 -1.25 -0.05 0.08 -2.00 0.00 0.00 174.74 171.91 3d5o s VAL 20 N -2.13 0.54 -0.16 -5.38 1.01 -0.29 -1.58 120.40 112.40 3d5o s VAL 20 Ca 0.19 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 3d5o s VAL 20 Cb -0.04 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.73 3d5o s VAL 20 CO 0.08 0.23 0.23 0.20 0.00 0.00 0.00 175.10 175.84 3d5o s ASN 21 N 0.92 6.38 -0.18 3.32 0.01 -0.87 -1.18 114.94 123.34 3d5o s ASN 21 Ca -0.11 0.44 -0.05 0.00 -0.71 0.00 0.00 52.86 52.43 3d5o s ASN 21 Cb -0.14 -2.15 -0.03 0.00 0.41 0.00 0.00 41.25 39.34 3d5o s ASN 21 CO 0.00 0.17 0.00 -0.76 -1.51 0.00 0.00 177.10 175.00 3d5o s LEU 22 N 0.21 3.39 -0.01 0.60 1.02 0.18 -2.05 118.68 122.01 3d5o s LEU 22 Ca 0.14 -0.11 -0.19 0.00 0.02 0.00 0.00 54.13 53.99 3d5o s LEU 22 Cb -0.12 -1.85 -0.05 0.00 0.02 0.00 0.00 46.19 44.19 3d5o s LEU 22 CO 0.03 0.12 0.54 -0.63 0.02 0.00 0.00 176.35 176.43 3d5o s ILE 23 N 0.65 4.95 -0.03 -0.59 1.01 -0.40 -3.76 121.20 123.03 3d5o s ILE 23 Ca -0.00 1.13 0.03 0.00 0.00 0.00 0.00 60.65 61.81 3d5o s ILE 23 Cb -0.14 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.46 3d5o s ILE 23 CO 0.02 0.44 -0.11 -0.89 0.00 0.00 0.00 174.94 174.40 3d5o s THR 24 N -0.29 0.96 -1.44 2.92 2.01 -1.26 -4.65 115.64 113.88 3d5o s THR 24 Ca 0.29 -0.45 0.21 0.00 0.31 0.00 0.00 61.69 62.05 3d5o s THR 24 Cb -0.18 -0.86 0.37 0.00 0.01 0.00 0.00 72.50 71.85 3d5o s THR 24 CO 0.16 0.30 1.67 -0.81 -0.69 0.00 0.00 174.62 175.24 3d5o n PRO 25 N 3.34 0.31 -2.01 4.92 -0.04 -1.26 -4.78 135.00 135.48 3d5o n PRO 25 Ca -0.19 0.09 -0.42 0.00 -0.04 0.00 0.00 63.50 62.93 3d5o n PRO 25 Cb 0.53 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 3d5o n PRO 25 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3d5o s LEU 26 N -2.56 4.35 0.00 1.53 1.98 -1.26 -4.88 118.68 117.85 3d5o s LEU 26 Ca 0.20 2.40 0.00 0.00 -2.89 0.00 0.00 54.13 53.84 3d5o s LEU 26 Cb 0.14 -3.57 0.00 0.00 0.66 0.00 0.00 46.19 43.42 3d5o s LEU 26 CO 0.32 -0.83 0.00 -1.84 -1.89 0.00 0.00 176.35 172.11 3d5o n GLU 27 N 5.32 2.06 -1.47 1.98 0.28 -1.26 -4.71 120.64 122.84 3d5o n GLU 27 Ca 0.15 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.85 3d5o n GLU 27 Cb 0.41 -0.86 0.11 0.00 1.43 0.00 0.00 31.44 32.53 3d5o n GLU 27 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 3d5o s LYS 28 N -1.72 1.75 0.37 3.44 1.02 -1.26 -4.56 119.74 118.78 3d5o s LYS 28 Ca 0.00 0.64 -0.24 0.00 0.02 0.00 0.00 55.97 56.38 3d5o s LYS 28 Cb 0.00 -1.88 -0.10 0.00 -0.52 0.00 0.00 37.83 35.33 3d5o s LYS 28 CO 0.00 -1.85 0.98 -1.25 -0.92 0.00 0.00 175.35 172.31 3d5o s PRO 29 N -5.12 4.37 -0.14 -1.68 0.04 -1.26 -4.54 135.00 126.67 3d5o s PRO 29 Ca 0.62 1.35 -0.20 0.00 0.04 0.00 0.00 61.00 62.81 3d5o s PRO 29 Cb -0.15 -2.59 -0.03 0.00 0.04 0.00 0.00 34.50 31.76 3d5o s PRO 29 CO 0.55 0.07 0.58 -1.17 0.04 0.00 0.00 177.00 177.07 3d5o s LEU 30 N -2.48 4.24 -0.26 -3.56 2.96 -0.96 -4.86 118.68 113.75 3d5o s LEU 30 Ca 0.55 0.90 -0.15 0.00 -0.22 0.00 0.00 54.13 55.21 3d5o s LEU 30 Cb -0.18 -2.85 -0.12 0.00 0.50 0.00 0.00 46.19 43.55 3d5o s LEU 30 CO 0.23 -0.12 -0.30 0.00 -1.32 0.00 0.00 176.35 174.83 3d5o n GLN 31 N 4.20 0.58 -4.19 1.98 6.02 -1.26 -1.25 117.38 123.46 3d5o n GLN 31 Ca -0.04 0.29 -0.11 0.00 -0.01 0.00 0.00 57.00 57.13 3d5o n GLN 31 Cb 0.51 -1.51 -0.10 0.00 1.02 0.00 0.00 30.24 30.16 3d5o n GLN 31 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3d5o s ASN 32 N -7.22 1.16 0.14 1.08 2.20 -1.26 -2.44 114.94 108.59 3d5o s ASN 32 Ca -0.36 -1.05 -0.24 0.00 -0.94 0.00 0.00 52.86 50.26 3d5o s ASN 32 Cb 0.13 0.10 0.08 0.00 -2.00 0.00 0.00 41.25 39.56 3d5o s ASN 32 CO 0.49 -0.49 1.10 0.72 -2.94 0.00 0.00 177.10 175.97 3d5o s PHE 33 N -3.63 0.05 -0.12 1.54 -0.12 -0.57 -3.54 117.98 111.58 3d5o s PHE 33 Ca 0.15 -0.38 -0.13 0.00 -0.05 0.00 0.00 56.93 56.53 3d5o s PHE 33 Cb 0.05 0.66 0.03 0.00 -0.63 0.00 0.00 43.02 43.14 3d5o s PHE 33 CO -0.02 -0.76 0.36 0.99 -0.05 0.00 0.00 175.22 175.73 3d5o s THR 34 N -2.18 0.01 -0.04 -4.49 2.01 -1.07 -1.63 115.64 108.24 3d5o s THR 34 Ca 0.23 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.19 3d5o s THR 34 Cb -0.02 -0.52 0.02 0.00 0.01 0.00 0.00 72.50 72.00 3d5o s THR 34 CO 0.04 -0.02 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.69 3d5o s LEU 35 N 0.04 1.28 0.12 4.42 2.96 0.48 -1.82 118.68 126.17 3d5o s LEU 35 Ca -0.01 -0.11 0.06 0.00 -0.22 0.00 0.00 54.13 53.84 3d5o s LEU 35 Cb -0.03 -0.42 -0.04 0.00 0.50 0.00 0.00 46.19 46.20 3d5o s LEU 35 CO 0.01 -0.07 -0.14 0.00 -1.32 0.00 0.00 176.35 174.84 3d5o s PHE 37 N -2.19 -0.12 -0.02 0.00 -0.12 -0.12 -1.27 117.98 114.13 3d5o s PHE 37 Ca 0.09 0.06 0.05 0.00 -0.05 0.00 0.00 56.93 57.08 3d5o s PHE 37 Cb -0.05 0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 42.84 3d5o s PHE 37 CO 0.03 -0.23 -0.17 1.03 -0.05 0.00 0.00 175.22 175.83 3d5o s ARG 38 N -2.45 2.35 0.08 1.99 0.52 0.13 -0.88 118.95 120.69 3d5o s ARG 38 Ca 0.10 -0.80 -0.04 0.00 -0.52 0.00 0.00 55.73 54.47 3d5o s ARG 38 Cb -0.00 -2.29 -0.02 0.00 0.52 0.00 0.00 34.95 33.16 3d5o s ARG 38 CO -0.05 0.59 0.08 0.00 0.02 0.00 0.00 175.30 175.95 3d5o s ALA 39 N -0.76 0.25 -0.25 2.13 0.00 -0.49 -0.66 121.76 121.99 3d5o s ALA 39 Ca 0.12 -1.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 3d5o s ALA 39 Cb -0.10 0.45 0.13 0.00 0.00 0.00 0.00 23.12 23.59 3d5o s ALA 39 CO 0.02 -0.45 0.48 -0.47 0.00 0.00 0.00 175.76 175.34 3d5o s TYR 40 N -3.92 -1.04 0.03 0.00 5.04 -0.75 -0.86 117.35 115.85 3d5o s TYR 40 Ca 0.09 1.54 -0.07 0.00 -2.44 0.00 0.00 57.07 56.19 3d5o s TYR 40 Cb 0.07 0.37 -0.00 0.00 0.35 0.00 0.00 41.96 42.75 3d5o s TYR 40 CO -0.08 -0.64 0.14 0.45 -1.34 0.00 0.00 175.55 174.07 3d5o s SER 41 N 2.69 0.09 -0.14 4.32 0.15 -1.26 -0.69 113.70 118.86 3d5o s SER 41 Ca 0.05 -0.40 0.18 0.00 0.70 0.00 0.00 55.95 56.48 3d5o s SER 41 Cb -0.13 0.24 0.34 0.00 -1.71 0.00 0.00 66.02 64.76 3d5o s SER 41 CO -0.16 -0.50 1.20 -0.90 1.20 0.00 0.00 173.24 174.09 3d5o n ASP 42 N 0.89 2.60 -4.77 5.45 5.75 -1.26 -4.47 116.55 120.73 3d5o n ASP 42 Ca -0.20 -3.12 -0.38 0.00 -0.01 0.00 0.00 54.79 51.09 3d5o n ASP 42 Cb 0.58 -0.46 -0.03 0.00 -1.03 0.00 0.00 41.12 40.18 3d5o n ASP 42 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3d5o s LEU 43 N -2.89 4.22 -0.18 -2.12 1.02 -1.26 -4.98 118.68 112.48 3d5o s LEU 43 Ca 0.34 2.20 0.10 0.00 0.02 0.00 0.00 54.13 56.79 3d5o s LEU 43 Cb 0.30 -4.04 -0.18 0.00 0.02 0.00 0.00 46.19 42.28 3d5o s LEU 43 CO 0.04 -0.52 -0.03 -1.20 0.02 0.00 0.00 176.35 174.65 3d5o n SER 44 N 0.16 1.36 -3.99 2.29 7.64 -1.26 -4.99 113.62 114.84 3d5o n SER 44 Ca 0.04 -0.04 -0.29 0.00 1.01 0.00 0.00 58.87 59.58 3d5o n SER 44 Cb 0.48 0.47 0.27 0.00 -1.01 0.00 0.00 64.21 64.41 3d5o n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3d5o s ARG 45 N -2.42 -1.87 0.78 1.43 1.70 -1.26 -4.79 118.95 112.52 3d5o s ARG 45 Ca -0.16 0.44 -0.11 0.00 -0.47 0.00 0.00 55.73 55.43 3d5o s ARG 45 Cb 0.06 -1.48 0.07 0.00 -0.57 0.00 0.00 34.95 33.03 3d5o s ARG 45 CO 0.62 -4.25 1.15 0.00 -1.08 0.00 0.00 175.30 171.74 3d5o s ALA 46 N -2.42 2.75 -0.17 7.88 0.00 -1.26 -4.89 121.76 123.64 3d5o s ALA 46 Ca 0.69 -0.63 -0.35 0.00 0.00 0.00 0.00 51.96 51.67 3d5o s ALA 46 Cb -0.19 -2.93 0.14 0.00 0.00 0.00 0.00 23.12 20.14 3d5o s ALA 46 CO 0.61 -1.55 1.26 1.52 0.00 0.00 0.00 175.76 177.61 3d5o s TYR 47 N -3.51 -0.09 0.79 0.00 -0.85 -0.54 -4.62 117.35 108.54 3d5o s TYR 47 Ca 0.61 0.04 -0.08 0.00 -0.52 0.00 0.00 57.07 57.12 3d5o s TYR 47 Cb -0.11 0.52 0.12 0.00 0.38 0.00 0.00 41.96 42.87 3d5o s TYR 47 CO 0.49 -0.18 1.11 -1.12 -1.52 0.00 0.00 175.55 174.33 3d5o s SER 48 N -2.34 4.16 0.00 -0.18 0.01 -1.12 -0.34 113.70 113.90 3d5o s SER 48 Ca 0.11 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.57 3d5o s SER 48 Cb 0.00 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.65 3d5o s SER 48 CO -0.04 -2.03 0.00 0.18 0.41 0.00 0.00 173.24 171.76 3d5o n LEU 49 N -3.17 0.00 -3.36 2.44 4.77 -0.72 -4.62 117.00 112.34 3d5o n LEU 49 Ca 0.12 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.96 3d5o n LEU 49 Cb 0.60 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.61 3d5o n LEU 49 CO 0.48 0.00 -0.14 0.12 -1.33 0.00 0.00 177.39 176.52 3d5o s PHE 50 N -1.00 -0.67 -0.26 -1.77 5.36 -1.20 -4.55 117.98 113.89 3d5o s PHE 50 Ca 0.00 0.01 -0.08 0.00 -0.96 0.00 0.00 56.93 55.90 3d5o s PHE 50 Cb 0.00 -0.35 -0.03 0.00 -0.34 0.00 0.00 43.02 42.30 3d5o s PHE 50 CO 0.00 -0.95 0.09 -1.54 -1.46 0.00 0.00 175.22 171.37 3d5o s SER 51 N 2.43 5.31 -0.83 6.13 1.04 -1.04 -1.91 113.70 124.83 3d5o s SER 51 Ca 0.09 -0.19 -0.03 0.00 0.48 0.00 0.00 55.95 56.31 3d5o s SER 51 Cb -0.13 -1.96 0.21 0.00 0.10 0.00 0.00 66.02 64.23 3d5o s SER 51 CO -0.32 -0.05 0.70 -0.47 0.98 0.00 0.00 173.24 174.08 3d5o s TYR 52 N 1.64 3.77 0.15 5.02 6.14 0.85 -0.93 117.35 134.00 3d5o s TYR 52 Ca 0.06 -2.91 -0.27 0.00 0.64 0.00 0.00 57.07 54.59 3d5o s TYR 52 Cb -0.15 -3.26 -0.07 0.00 0.42 0.00 0.00 41.96 38.89 3d5o s TYR 52 CO 0.05 -0.77 0.84 0.54 0.64 0.00 0.00 175.55 176.85 3d5o s ASN 53 N 0.15 7.43 0.42 4.32 2.20 -0.91 -2.45 114.94 126.10 3d5o s ASN 53 Ca 0.24 1.70 0.05 0.00 -0.94 0.00 0.00 52.86 53.92 3d5o s ASN 53 Cb -0.11 -2.53 -0.06 0.00 -2.00 0.00 0.00 41.25 36.55 3d5o s ASN 53 CO -0.10 0.12 0.02 0.28 -2.94 0.00 0.00 177.10 174.48 3d5o s THR 54 N -0.78 1.70 -0.28 0.54 -1.32 -0.78 -2.08 115.64 112.65 3d5o s THR 54 Ca 0.39 -2.00 -0.28 0.00 -1.21 0.00 0.00 61.69 58.59 3d5o s THR 54 Cb -0.23 -2.80 -0.05 0.00 -1.51 0.00 0.00 72.50 67.90 3d5o s THR 54 CO 0.27 0.00 2.23 -1.10 -2.21 0.00 0.00 174.62 173.82 3d5o s GLN 55 N -3.76 2.94 0.00 7.08 1.11 -1.26 -2.85 119.66 122.93 3d5o s GLN 55 Ca 0.29 1.88 0.00 0.00 0.01 0.00 0.00 55.36 57.54 3d5o s GLN 55 Cb 0.08 -4.40 0.00 0.00 -1.01 0.00 0.00 33.01 27.68 3d5o s GLN 55 CO 0.15 -2.32 0.00 0.41 0.01 0.00 0.00 175.29 173.54 3d5o n GLY 56 N 5.80 1.91 3.76 3.09 0.00 -1.26 -5.01 105.19 113.47 3d5o n GLY 56 Ca 0.31 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 3d5o n GLY 56 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3d5o s ARG 57 N 0.00 4.31 -0.08 1.61 3.03 -1.13 -4.66 118.95 122.02 3d5o s ARG 57 Ca 0.00 2.25 -0.06 0.00 2.03 0.00 0.00 55.73 59.96 3d5o s ARG 57 Cb 0.00 -3.09 -0.02 0.00 -1.03 0.00 0.00 34.95 30.81 3d5o s ARG 57 CO 0.00 -0.31 -0.11 -0.40 -1.13 0.00 0.00 175.30 173.35 3d5o n ASP 58 N 1.62 0.99 -1.14 -2.89 5.75 -1.25 -1.87 116.55 117.76 3d5o n ASP 58 Ca 0.04 0.41 0.00 0.00 -0.01 0.00 0.00 54.79 55.23 3d5o n ASP 58 Cb 0.41 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.81 3d5o n ASP 58 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3d5o n ASN 59 N -3.54 3.15 -0.25 -1.12 5.03 -1.26 -4.23 115.26 113.04 3d5o n ASN 59 Ca -0.05 -1.88 -0.01 0.00 0.87 0.00 0.00 54.58 53.52 3d5o n ASN 59 Cb 0.17 -0.58 0.05 0.00 -1.02 0.00 0.00 39.78 38.40 3d5o n ASN 59 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 3d5o h GLU 60 N 0.53 -0.06 -2.69 3.52 4.57 -1.78 -2.12 114.58 116.55 3d5o h GLU 60 Ca 0.00 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.97 3d5o h GLU 60 Cb 0.88 0.01 -0.32 0.00 -0.16 0.00 0.00 28.75 29.16 3d5o h GLU 60 CO 0.00 -0.04 -0.53 -0.51 -1.18 0.00 0.00 179.01 176.75 3d5o s LEU 61 N -10.88 -0.33 -0.06 1.64 1.43 -1.03 -1.30 118.68 108.16 3d5o s LEU 61 Ca -0.14 0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 53.40 3d5o s LEU 61 Cb 0.19 0.74 0.03 0.00 0.03 0.00 0.00 46.19 47.18 3d5o s LEU 61 CO 0.72 -0.26 0.01 -0.22 0.23 0.00 0.00 176.35 176.83 3d5o s LEU 62 N 2.43 0.66 -0.35 1.79 2.96 0.32 -0.10 118.68 126.39 3d5o s LEU 62 Ca 0.03 -0.05 -0.14 0.00 -0.22 0.00 0.00 54.13 53.75 3d5o s LEU 62 Cb -0.13 -0.36 -0.01 0.00 0.50 0.00 0.00 46.19 46.19 3d5o s LEU 62 CO -0.10 -0.18 0.27 -0.69 -1.32 0.00 0.00 176.35 174.33 3d5o s VAL 63 N 1.78 5.26 0.07 1.68 1.01 -0.80 0.01 120.40 129.41 3d5o s VAL 63 Ca 0.02 -0.25 0.10 0.00 0.00 0.00 0.00 61.98 61.84 3d5o s VAL 63 Cb -0.13 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 3d5o s VAL 63 CO -0.04 -0.08 -0.26 -0.47 0.00 0.00 0.00 175.10 174.25 3d5o s TYR 64 N 1.77 2.33 -0.34 5.22 5.04 -0.72 -1.75 117.35 128.91 3d5o s TYR 64 Ca 0.07 -0.39 -0.07 0.00 -2.44 0.00 0.00 57.07 54.23 3d5o s TYR 64 Cb -0.18 -1.35 0.03 0.00 0.35 0.00 0.00 41.96 40.82 3d5o s TYR 64 CO 0.11 0.20 0.12 0.21 -1.34 0.00 0.00 175.55 174.85 3d5o s LYS 65 N -1.52 2.74 -0.10 4.97 2.20 0.54 -0.37 119.74 128.21 3d5o s LYS 65 Ca 0.13 -1.10 -0.28 0.00 -0.36 0.00 0.00 55.97 54.36 3d5o s LYS 65 Cb -0.10 -3.49 -0.24 0.00 -1.51 0.00 0.00 37.83 32.49 3d5o s LYS 65 CO 0.04 -0.63 0.93 1.49 -0.36 0.00 0.00 175.35 176.81 3d5o h GLU 66 N 8.26 0.00 -2.08 4.03 4.57 -1.69 -1.44 114.58 126.23 3d5o h GLU 66 Ca -0.25 -0.00 0.19 0.00 -1.18 0.00 0.00 59.36 58.11 3d5o h GLU 66 Cb 1.09 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 29.56 3d5o h GLU 66 CO 0.61 0.84 0.58 -0.98 -1.18 0.00 0.00 179.01 178.88 3d5o s ARG 67 N -2.85 0.85 -0.29 1.92 1.70 -1.24 -4.34 118.95 114.70 3d5o s ARG 67 Ca -0.18 -0.42 -0.37 0.00 -0.47 0.00 0.00 55.73 54.29 3d5o s ARG 67 Cb -0.02 0.33 -0.13 0.00 -0.57 0.00 0.00 34.95 34.56 3d5o s ARG 67 CO 0.69 -0.38 1.99 0.28 -1.08 0.00 0.00 175.30 176.79 3d5o n VAL 68 N -0.36 0.29 -0.22 4.99 0.31 -1.26 -0.40 118.33 121.68 3d5o n VAL 68 Ca -0.07 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3d5o n VAL 68 Cb 0.61 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 3d5o n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3d5o n GLY 69 N 5.43 0.88 2.71 2.92 0.00 -1.26 -4.99 105.19 110.89 3d5o n GLY 69 Ca 0.34 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 3d5o n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d5o s GLU 70 N -0.69 0.14 -0.07 1.61 2.02 0.46 -2.09 118.70 120.08 3d5o s GLU 70 Ca 0.00 0.28 0.05 0.00 0.02 0.00 0.00 54.97 55.32 3d5o s GLU 70 Cb 0.00 -0.64 -0.01 0.00 0.10 0.00 0.00 34.13 33.59 3d5o s GLU 70 CO 0.00 -0.31 -0.23 0.71 0.02 0.00 0.00 175.26 175.45 3d5o s TYR 71 N 2.03 2.31 0.22 1.61 2.02 -0.95 -2.02 117.35 122.58 3d5o s TYR 71 Ca 0.04 -0.77 0.09 0.00 -0.37 0.00 0.00 57.07 56.05 3d5o s TYR 71 Cb -0.12 -1.54 -0.04 0.00 -0.40 0.00 0.00 41.96 39.86 3d5o s TYR 71 CO -0.04 -0.27 -0.02 -1.12 -1.57 0.00 0.00 175.55 172.53 3d5o s SER 72 N 0.05 4.55 -0.12 2.29 0.01 0.51 -1.38 113.70 119.62 3d5o s SER 72 Ca -0.09 -0.56 -0.02 0.00 1.31 0.00 0.00 55.95 56.59 3d5o s SER 72 Cb -0.15 -0.87 0.04 0.00 0.21 0.00 0.00 66.02 65.25 3d5o s SER 72 CO 0.05 0.05 0.01 -0.22 0.41 0.00 0.00 173.24 173.54 3d5o s LEU 73 N -3.30 0.81 -0.20 2.44 2.96 -0.61 -1.75 118.68 119.03 3d5o s LEU 73 Ca 0.29 -0.37 -0.09 0.00 -0.22 0.00 0.00 54.13 53.75 3d5o s LEU 73 Cb -0.08 -0.51 -0.04 0.00 0.50 0.00 0.00 46.19 46.06 3d5o s LEU 73 CO 0.19 -0.23 0.10 -0.31 -1.32 0.00 0.00 176.35 174.77 3d5o s TYR 74 N 1.92 3.30 -0.40 5.38 1.51 0.10 -2.09 117.35 127.09 3d5o s TYR 74 Ca 0.03 0.15 0.01 0.00 -1.01 0.00 0.00 57.07 56.25 3d5o s TYR 74 Cb -0.14 -2.14 0.13 0.00 -0.11 0.00 0.00 41.96 39.69 3d5o s TYR 74 CO -0.06 0.15 0.19 -1.50 -1.11 0.00 0.00 175.55 173.22 3d5o s ILE 75 N 0.55 1.21 -0.27 2.71 2.07 0.05 -0.52 121.20 127.00 3d5o s ILE 75 Ca 0.05 -2.20 -0.01 0.00 -1.41 0.00 0.00 60.65 57.09 3d5o s ILE 75 Cb -0.12 -1.86 -0.01 0.00 0.13 0.00 0.00 42.46 40.59 3d5o s ILE 75 CO 0.00 -0.84 0.23 0.61 -1.91 0.00 0.00 174.94 173.04 3d5o n GLY 76 N 3.93 0.36 4.21 1.50 0.00 -0.42 -3.62 105.19 111.15 3d5o n GLY 76 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3d5o n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d5o n ARG 77 N -1.88 0.00 -3.92 1.61 1.74 -1.23 -4.93 116.66 108.05 3d5o n ARG 77 Ca -0.03 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.69 3d5o n ARG 77 Cb 0.53 -3.00 -0.11 0.00 -1.02 0.00 0.00 32.46 28.86 3d5o n ARG 77 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3d5o s HIS 78 N -1.78 3.14 0.38 -1.55 4.02 -1.24 -5.09 115.29 113.17 3d5o s HIS 78 Ca 0.00 -0.20 0.08 0.00 1.02 0.00 0.00 55.06 55.96 3d5o s HIS 78 Cb 0.00 -2.15 -0.06 0.00 -1.02 0.00 0.00 32.58 29.35 3d5o s HIS 78 CO 0.00 -0.12 0.08 -1.59 1.02 0.00 0.00 174.74 174.12 3d5o s LYS 79 N 1.02 2.12 -0.05 1.40 -2.85 -1.26 -0.77 119.74 119.36 3d5o s LYS 79 Ca 0.04 -1.83 -0.09 0.00 -1.00 0.00 0.00 55.97 53.09 3d5o s LYS 79 Cb -0.14 -1.91 0.02 0.00 -2.06 0.00 0.00 37.83 33.73 3d5o s LYS 79 CO 0.03 0.01 0.21 0.14 0.10 0.00 0.00 175.35 175.84 3d5o s VAL 80 N -2.58 0.04 0.30 1.79 -7.23 -0.89 -4.97 120.40 106.87 3d5o s VAL 80 Ca 0.37 -0.29 0.11 0.00 -1.81 0.00 0.00 61.98 60.36 3d5o s VAL 80 Cb 0.03 -0.40 -0.06 0.00 0.56 0.00 0.00 36.38 36.52 3d5o s VAL 80 CO 0.20 -0.16 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.79 3d5o s THR 81 N -0.58 2.43 -0.13 5.32 2.01 -1.26 -1.57 115.64 121.86 3d5o s THR 81 Ca -0.07 -2.31 -0.08 0.00 0.31 0.00 0.00 61.69 59.55 3d5o s THR 81 Cb -0.04 -2.46 0.05 0.00 0.01 0.00 0.00 72.50 70.06 3d5o s THR 81 CO 0.01 -0.32 0.32 -0.44 -0.69 0.00 0.00 174.62 173.51 3d5o s SER 82 N -3.56 -0.38 0.35 3.53 0.01 -0.48 -4.95 113.70 108.23 3d5o s SER 82 Ca 0.31 0.69 -0.02 0.00 1.31 0.00 0.00 55.95 58.25 3d5o s SER 82 Cb -0.02 0.59 -0.04 0.00 0.21 0.00 0.00 66.02 66.76 3d5o s SER 82 CO 0.16 -0.17 0.59 -0.54 0.41 0.00 0.00 173.24 173.68 3d5o s LYS 83 N 1.18 3.53 -0.19 12.44 1.02 -1.26 -2.23 119.74 134.23 3d5o s LYS 83 Ca -0.08 -0.17 -0.28 0.00 0.02 0.00 0.00 55.97 55.46 3d5o s LYS 83 Cb -0.08 -2.62 0.10 0.00 -0.52 0.00 0.00 37.83 34.71 3d5o s LYS 83 CO -0.09 0.11 0.87 0.54 -0.92 0.00 0.00 175.35 175.86 3d5o s VAL 84 N -2.33 0.00 -0.04 3.17 0.11 -0.89 -4.77 120.40 115.65 3d5o s VAL 84 Ca 0.42 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.17 3d5o s VAL 84 Cb -0.10 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.72 3d5o s VAL 84 CO 0.36 0.00 1.12 -0.63 -3.33 0.00 0.00 175.10 172.61 3d5o s ILE 85 N -0.46 4.45 -0.12 7.04 1.01 -1.26 -4.43 121.20 127.43 3d5o s ILE 85 Ca -0.02 1.76 -0.12 0.00 0.00 0.00 0.00 60.65 62.27 3d5o s ILE 85 Cb -0.03 -4.13 0.03 0.00 0.01 0.00 0.00 42.46 38.35 3d5o s ILE 85 CO 0.01 0.04 0.33 -0.70 0.00 0.00 0.00 174.94 174.63 3d5o s GLU 86 N 1.80 0.39 0.38 2.79 2.12 -1.26 -5.06 118.70 119.85 3d5o s GLU 86 Ca 0.54 0.46 -0.20 0.00 0.36 0.00 0.00 54.97 56.13 3d5o s GLU 86 Cb -0.23 0.19 -0.10 0.00 0.26 0.00 0.00 34.13 34.25 3d5o s GLU 86 CO 0.23 -0.05 0.87 0.15 -0.54 0.00 0.00 175.26 175.93 3d5o s LYS 87 N 0.16 4.21 -0.04 4.30 1.02 -1.26 -4.88 119.74 123.25 3d5o s LYS 87 Ca -0.00 1.00 0.00 0.00 0.02 0.00 0.00 55.97 56.99 3d5o s LYS 87 Cb -0.02 -2.36 0.03 0.00 -0.52 0.00 0.00 37.83 34.95 3d5o s LYS 87 CO 0.00 0.08 -0.01 0.12 -0.92 0.00 0.00 175.35 174.62 3d5o s PHE 88 N -2.02 0.55 0.59 3.18 5.36 -1.26 -4.07 117.98 120.31 3d5o s PHE 88 Ca 0.57 -0.11 -0.03 0.00 -0.96 0.00 0.00 56.93 56.41 3d5o s PHE 88 Cb -0.11 -0.59 0.03 0.00 -0.34 0.00 0.00 43.02 42.01 3d5o s PHE 88 CO 0.16 -0.20 0.87 -1.25 -1.46 0.00 0.00 175.22 173.34 3d5o s PRO 89 N 1.21 2.60 -0.29 10.12 0.04 -1.26 -5.18 135.00 142.23 3d5o s PRO 89 Ca -0.07 -0.39 -0.28 0.00 0.04 0.00 0.00 61.00 60.30 3d5o s PRO 89 Cb -0.14 -2.35 0.20 0.00 0.04 0.00 0.00 34.50 32.25 3d5o s PRO 89 CO -0.02 -0.81 1.39 0.00 0.04 0.00 0.00 177.00 177.61 3d5o s ALA 90 N -2.94 -2.15 0.50 8.56 0.00 -1.26 -5.11 121.76 119.37 3d5o s ALA 90 Ca 0.56 1.88 -0.23 0.00 0.00 0.00 0.00 51.96 54.16 3d5o s ALA 90 Cb -0.10 -1.61 -0.06 0.00 0.00 0.00 0.00 23.12 21.34 3d5o s ALA 90 CO 0.42 -0.21 1.39 -2.14 0.00 0.00 0.00 175.76 175.21 3d5o s PRO 91 N -0.86 3.38 -0.00 0.00 0.02 -1.26 -4.66 135.00 131.62 3d5o s PRO 91 Ca 0.09 2.32 0.01 0.00 0.02 0.00 0.00 61.00 63.43 3d5o s PRO 91 Cb -0.02 -2.43 -0.00 0.00 0.02 0.00 0.00 34.50 32.07 3d5o s PRO 91 CO -0.10 -1.02 -0.02 0.54 -0.33 0.00 0.00 177.00 176.07 3d5o s VAL 92 N -1.26 0.13 -0.21 3.83 0.11 -0.04 -5.01 120.40 117.96 3d5o s VAL 92 Ca 0.67 -0.07 -0.07 0.00 -2.93 0.00 0.00 61.98 59.58 3d5o s VAL 92 Cb -0.42 -0.12 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 3d5o s VAL 92 CO 0.51 0.04 0.05 -2.28 -3.33 0.00 0.00 175.10 170.10 3d5o s HIS 93 N -0.04 3.15 -0.06 1.54 2.46 -1.26 -1.39 115.29 119.70 3d5o s HIS 93 Ca 0.01 -0.16 0.06 0.00 0.47 0.00 0.00 55.06 55.44 3d5o s HIS 93 Cb -0.01 -2.13 -0.01 0.00 -0.13 0.00 0.00 32.58 30.31 3d5o s HIS 93 CO -0.00 -0.07 -0.25 0.42 -2.47 0.00 0.00 174.74 172.37 3d5o s ILE 94 N 0.86 2.06 0.00 0.89 1.01 -0.06 -0.84 121.20 125.12 3d5o s ILE 94 Ca 0.03 -1.07 -0.01 0.00 0.00 0.00 0.00 60.65 59.60 3d5o s ILE 94 Cb -0.14 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 3d5o s ILE 94 CO 0.02 0.57 0.01 0.00 0.00 0.00 0.00 174.94 175.55 3d5o s VAL 96 N -0.64 0.04 0.06 0.00 0.11 -0.22 -0.89 120.40 118.85 3d5o s VAL 96 Ca -0.07 -0.32 0.01 0.00 -2.93 0.00 0.00 61.98 58.67 3d5o s VAL 96 Cb -0.04 -0.32 -0.03 0.00 -1.53 0.00 0.00 36.38 34.45 3d5o s VAL 96 CO -0.00 -0.18 -0.06 -0.94 -3.33 0.00 0.00 175.10 170.59 3d5o s SER 97 N -0.59 0.75 -0.06 3.54 1.04 -0.48 -0.38 113.70 117.51 3d5o s SER 97 Ca -0.07 -0.76 -0.12 0.00 0.48 0.00 0.00 55.95 55.49 3d5o s SER 97 Cb -0.04 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.20 3d5o s SER 97 CO 0.01 -0.38 0.28 0.86 0.98 0.00 0.00 173.24 174.99 3d5o s TRP 98 N -2.53 -0.22 0.35 5.02 -0.00 -0.65 -0.92 118.94 119.99 3d5o s TRP 98 Ca -0.02 0.47 0.09 0.00 -0.00 0.00 0.00 56.10 56.65 3d5o s TRP 98 Cb -0.02 0.08 -0.06 0.00 -0.00 0.00 0.00 33.47 33.47 3d5o s TRP 98 CO -0.03 -0.26 -0.01 -1.21 -0.00 0.00 0.00 176.95 175.44 3d5o s GLU 99 N -0.60 2.00 -0.23 5.86 2.02 -1.09 -1.52 118.70 125.13 3d5o s GLU 99 Ca -0.07 -1.84 -0.01 0.00 0.02 0.00 0.00 54.97 53.07 3d5o s GLU 99 Cb -0.04 -1.84 -0.14 0.00 0.10 0.00 0.00 34.13 32.20 3d5o s GLU 99 CO 0.02 0.11 -0.22 0.45 0.02 0.00 0.00 175.26 175.63 3d5o n SER 100 N -0.93 2.12 -0.27 -0.19 2.88 -1.02 -2.98 113.62 113.23 3d5o n SER 100 Ca -0.04 -0.05 0.09 0.00 -1.33 0.00 0.00 58.87 57.53 3d5o n SER 100 Cb 0.63 -0.43 0.22 0.00 -0.75 0.00 0.00 64.21 63.88 3d5o n SER 100 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3d5o h SER 101 N -0.15 -0.14 0.00 -3.46 0.02 -1.91 1.10 113.55 109.00 3d5o h SER 101 Ca -0.54 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 3d5o h SER 101 Cb 1.76 0.29 0.00 0.00 0.14 0.00 0.00 62.40 64.59 3d5o h SER 101 CO -0.13 -0.14 -0.73 -1.54 -1.14 0.00 0.00 176.83 173.14 3d5o n SER 102 N -5.26 1.72 -0.30 3.07 3.41 -1.26 -4.57 113.62 110.42 3d5o n SER 102 Ca 0.17 -0.36 -0.04 0.00 -0.26 0.00 0.00 58.87 58.38 3d5o n SER 102 Cb 0.56 1.13 -0.02 0.00 -0.26 0.00 0.00 64.21 65.62 3d5o n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d5o n GLY 103 N 1.58 0.67 3.64 5.00 0.00 -1.09 -4.70 105.19 110.29 3d5o n GLY 103 Ca 0.00 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 3d5o n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d5o s ILE 104 N -2.01 4.75 -0.09 -0.61 -1.09 -1.26 0.14 121.20 121.03 3d5o s ILE 104 Ca 0.00 1.58 -0.01 0.00 -2.23 0.00 0.00 60.65 59.99 3d5o s ILE 104 Cb 0.00 -4.20 -0.03 0.00 -1.58 0.00 0.00 42.46 36.64 3d5o s ILE 104 CO 0.00 -0.20 -0.02 0.00 -1.23 0.00 0.00 174.94 173.49 3d5o s ALA 105 N 3.06 3.18 -0.05 9.38 0.00 0.68 -2.68 121.76 135.33 3d5o s ALA 105 Ca 0.37 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.49 3d5o s ALA 105 Cb -0.14 -1.43 0.03 0.00 0.00 0.00 0.00 23.12 21.58 3d5o s ALA 105 CO 0.10 0.55 0.10 -2.00 0.00 0.00 0.00 175.76 174.50 3d5o s GLU 106 N -0.74 0.05 0.20 0.00 2.12 -0.10 -1.95 118.70 118.29 3d5o s GLU 106 Ca 0.11 0.29 -0.04 0.00 0.36 0.00 0.00 54.97 55.69 3d5o s GLU 106 Cb -0.11 -0.19 -0.05 0.00 0.26 0.00 0.00 34.13 34.03 3d5o s GLU 106 CO 0.02 -0.16 0.45 -0.06 -0.54 0.00 0.00 175.26 174.97 3d5o s PHE 107 N 1.07 3.47 -0.08 5.30 0.40 -1.26 -1.38 117.98 125.50 3d5o s PHE 107 Ca -0.08 0.57 -0.02 0.00 -0.60 0.00 0.00 56.93 56.80 3d5o s PHE 107 Cb -0.11 -2.03 0.03 0.00 0.51 0.00 0.00 43.02 41.42 3d5o s PHE 107 CO -0.05 0.33 0.02 -1.58 0.70 0.00 0.00 175.22 174.65 3d5o s TRP 108 N -1.83 0.54 -0.20 0.36 0.52 -0.07 -0.48 118.94 117.77 3d5o s TRP 108 Ca 0.42 -0.12 -0.03 0.00 0.02 0.00 0.00 56.10 56.39 3d5o s TRP 108 Cb -0.11 -0.74 -0.01 0.00 -1.15 0.00 0.00 33.47 31.46 3d5o s TRP 108 CO 0.26 -0.32 -0.06 0.42 0.02 0.00 0.00 176.95 177.28 3d5o s ILE 109 N 2.02 3.35 -1.57 2.03 1.09 -0.06 -1.87 121.20 126.18 3d5o s ILE 109 Ca 0.05 -0.51 -0.14 0.00 -1.10 0.00 0.00 60.65 58.94 3d5o s ILE 109 Cb -0.13 -2.50 0.10 0.00 -1.06 0.00 0.00 42.46 38.87 3d5o s ILE 109 CO -0.05 0.44 0.89 0.59 -0.10 0.00 0.00 174.94 176.71 3d5o n ASN 110 N 4.55 -4.03 0.00 3.58 3.02 -0.02 -1.42 115.26 120.94 3d5o n ASN 110 Ca -0.18 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 3d5o n ASN 110 Cb 0.51 -3.52 0.00 0.00 -0.61 0.00 0.00 39.78 36.17 3d5o n ASN 110 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d5o n GLY 111 N -1.61 3.24 3.73 7.41 0.00 -1.26 -5.03 105.19 111.67 3d5o n GLY 111 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3d5o n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d5o s THR 112 N -2.04 5.10 -0.07 2.61 2.01 -0.51 -4.97 115.64 117.77 3d5o s THR 112 Ca 0.00 1.10 -0.28 0.00 0.31 0.00 0.00 61.69 62.82 3d5o s THR 112 Cb 0.00 -3.88 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 3d5o s THR 112 CO 0.00 0.34 0.92 -2.16 -0.69 0.00 0.00 174.62 173.03 3d5o s PRO 113 N 0.43 4.45 0.84 4.92 0.04 -1.26 -0.88 135.00 143.54 3d5o s PRO 113 Ca 0.29 1.26 -0.09 0.00 0.04 0.00 0.00 61.00 62.51 3d5o s PRO 113 Cb -0.16 -3.50 0.15 0.00 0.04 0.00 0.00 34.50 31.03 3d5o s PRO 113 CO 0.13 -0.17 1.16 -0.51 0.04 0.00 0.00 177.00 177.65 3d5o s LEU 114 N 1.50 2.83 0.09 -3.56 1.43 0.37 -4.98 118.68 116.36 3d5o s LEU 114 Ca 0.46 0.05 -0.31 0.00 -1.03 0.00 0.00 54.13 53.30 3d5o s LEU 114 Cb -0.19 -2.28 -0.08 0.00 0.03 0.00 0.00 46.19 43.67 3d5o s LEU 114 CO 0.21 -2.25 1.46 -0.69 0.23 0.00 0.00 176.35 175.30 3d5o s VAL 115 N -3.52 3.23 0.50 -1.59 1.01 -1.26 -4.65 120.40 114.12 3d5o s VAL 115 Ca 0.69 0.82 -0.23 0.00 0.00 0.00 0.00 61.98 63.26 3d5o s VAL 115 Cb -0.05 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.74 3d5o s VAL 115 CO 0.49 0.04 1.36 -0.54 0.00 0.00 0.00 175.10 176.44 3d5o s LYS 116 N 1.58 3.42 0.11 2.72 1.02 -1.26 -4.78 119.74 122.55 3d5o s LYS 116 Ca 0.67 2.24 0.03 0.00 0.02 0.00 0.00 55.97 58.92 3d5o s LYS 116 Cb -0.37 -2.42 -0.04 0.00 -0.52 0.00 0.00 37.83 34.47 3d5o s LYS 116 CO 0.30 -0.97 -0.08 0.15 -0.92 0.00 0.00 175.35 173.83 3d5o s LYS 117 N -2.71 0.88 0.10 1.68 -0.14 -0.82 -5.01 119.74 113.73 3d5o s LYS 117 Ca 0.67 -1.33 0.09 0.00 -1.36 0.00 0.00 55.97 54.04 3d5o s LYS 117 Cb -0.40 -0.34 -0.03 0.00 -1.68 0.00 0.00 37.83 35.37 3d5o s LYS 117 CO 0.49 0.02 -0.23 0.20 -0.76 0.00 0.00 175.35 175.06 3d5o s GLY 118 N -2.97 1.35 -0.17 -3.33 0.00 -1.26 -0.23 107.32 100.71 3d5o s GLY 118 Ca 0.12 -1.30 -0.31 0.00 0.00 0.00 0.00 44.72 43.23 3d5o s GLY 118 CO -0.03 -1.27 1.11 0.48 0.00 0.00 0.00 173.10 173.39 3d5o s LEU 119 N -1.81 -0.25 -1.53 0.66 2.34 0.37 -4.95 118.68 113.51 3d5o s LEU 119 Ca 0.09 0.19 -0.07 0.00 0.06 0.00 0.00 54.13 54.40 3d5o s LEU 119 Cb -0.10 1.61 0.06 0.00 -0.56 0.00 0.00 46.19 47.20 3d5o s LEU 119 CO 0.04 -0.29 0.54 0.54 -1.06 0.00 0.00 176.35 176.12 3d5o n ARG 120 N 0.39 -3.16 -1.99 1.48 5.12 -1.26 -4.46 116.66 112.77 3d5o n ARG 120 Ca -0.06 0.38 -0.39 0.00 -1.93 0.00 0.00 57.85 55.86 3d5o n ARG 120 Cb 0.59 -4.70 0.01 0.00 -1.16 0.00 0.00 32.46 27.20 3d5o n ARG 120 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3d5o s GLN 121 N -6.75 3.68 0.00 5.56 0.74 -1.26 -2.22 119.66 119.41 3d5o s GLN 121 Ca 0.28 2.13 0.00 0.00 0.05 0.00 0.00 55.36 57.83 3d5o s GLN 121 Cb -0.15 -2.54 0.00 0.00 1.10 0.00 0.00 33.01 31.41 3d5o s GLN 121 CO 0.91 -0.72 0.00 0.41 -0.55 0.00 0.00 175.29 175.33 3d5o n GLY 122 N 0.62 0.58 3.87 2.59 0.00 0.38 -4.95 105.19 108.28 3d5o n GLY 122 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 3d5o n GLY 122 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3d5o s TYR 123 N -2.19 3.53 0.06 1.61 5.04 -0.94 -5.01 117.35 119.45 3d5o s TYR 123 Ca 0.00 1.18 0.08 0.00 -2.44 0.00 0.00 57.07 55.89 3d5o s TYR 123 Cb 0.00 -2.59 -0.03 0.00 0.35 0.00 0.00 41.96 39.69 3d5o s TYR 123 CO 0.00 -0.38 -0.23 -0.06 -1.34 0.00 0.00 175.55 173.54 3d5o s PHE 124 N -2.75 1.98 -0.04 4.97 0.40 -1.26 -4.75 117.98 116.52 3d5o s PHE 124 Ca 0.54 -0.39 -0.16 0.00 -0.60 0.00 0.00 56.93 56.31 3d5o s PHE 124 Cb -0.10 -1.15 -0.05 0.00 0.51 0.00 0.00 43.02 42.22 3d5o s PHE 124 CO 0.41 0.15 0.43 0.08 0.70 0.00 0.00 175.22 176.99 3d5o s VAL 125 N -0.89 5.08 0.34 -0.44 1.01 -0.38 -4.92 120.40 120.20 3d5o s VAL 125 Ca 0.09 0.89 -0.17 0.00 0.00 0.00 0.00 61.98 62.79 3d5o s VAL 125 Cb -0.09 -3.76 -0.13 0.00 0.00 0.00 0.00 36.38 32.40 3d5o s VAL 125 CO 0.03 0.48 0.04 -0.62 0.00 0.00 0.00 175.10 175.03 3d5o n GLU 126 N 2.55 0.00 0.00 2.72 4.71 -1.26 -2.27 120.64 127.09 3d5o n GLU 126 Ca -0.11 0.00 0.08 0.00 -0.01 0.00 0.00 57.16 57.11 3d5o n GLU 126 Cb 0.52 -0.82 -0.04 0.00 -1.01 0.00 0.00 31.44 30.09 3d5o n GLU 126 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3d5o n ALA 127 N -0.90 3.57 -3.90 0.62 0.00 -1.26 -4.46 120.51 114.17 3d5o n ALA 127 Ca 0.09 -0.49 -0.33 0.00 0.00 0.00 0.00 53.44 52.71 3d5o n ALA 127 Cb 0.34 -0.56 -0.13 0.00 0.00 0.00 0.00 19.45 19.09 3d5o n ALA 127 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3d5o s GLN 128 N -2.16 1.81 0.21 0.00 -1.52 -1.26 -4.23 119.66 112.50 3d5o s GLN 128 Ca 0.10 -2.01 0.07 0.00 -1.95 0.00 0.00 55.36 51.58 3d5o s GLN 128 Cb 0.12 -3.39 -0.04 0.00 -0.22 0.00 0.00 33.01 29.48 3d5o s GLN 128 CO 0.51 -1.03 0.07 -1.25 -0.25 0.00 0.00 175.29 173.35 3d5o s PRO 129 N 0.75 2.58 -0.28 2.91 0.04 -1.26 -4.00 135.00 135.75 3d5o s PRO 129 Ca 0.11 -1.13 0.03 0.00 0.04 0.00 0.00 61.00 60.05 3d5o s PRO 129 Cb -0.21 -2.41 0.07 0.00 0.04 0.00 0.00 34.50 31.99 3d5o s PRO 129 CO -0.05 0.42 -0.05 0.15 0.04 0.00 0.00 177.00 177.51 3d5o s LYS 130 N -3.36 1.91 -0.39 4.56 1.02 -0.88 -4.85 119.74 117.75 3d5o s LYS 130 Ca 0.30 -1.45 -0.16 0.00 0.02 0.00 0.00 55.97 54.68 3d5o s LYS 130 Cb -0.08 -2.92 0.01 0.00 -0.52 0.00 0.00 37.83 34.31 3d5o s LYS 130 CO 0.21 -0.69 0.38 0.42 -0.92 0.00 0.00 175.35 174.75 3d5o s ILE 131 N 1.09 5.15 -0.18 2.17 1.01 -1.25 -2.15 121.20 127.05 3d5o s ILE 131 Ca -0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.36 3d5o s ILE 131 Cb -0.20 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 3d5o s ILE 131 CO -0.07 -0.27 -0.05 -0.69 0.00 0.00 0.00 174.94 173.87 3d5o s VAL 132 N 2.01 3.55 -0.05 2.92 1.01 -0.10 -0.65 120.40 129.09 3d5o s VAL 132 Ca 0.11 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 3d5o s VAL 132 Cb -0.17 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 3d5o s VAL 132 CO 0.12 0.47 0.15 -0.22 0.00 0.00 0.00 175.10 175.61 3d5o s LEU 133 N 0.83 4.27 0.00 3.92 2.96 -0.32 -2.49 118.68 127.84 3d5o s LEU 133 Ca -0.02 0.35 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 3d5o s LEU 133 Cb -0.15 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 44.19 3d5o s LEU 133 CO 0.01 0.32 0.00 0.61 -1.32 0.00 0.00 176.35 175.97 3d5o n GLY 134 N 1.37 2.66 3.45 7.98 0.00 -1.26 -1.14 105.19 118.24 3d5o n GLY 134 Ca -0.14 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 3d5o n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d5o s GLN 135 N 0.00 1.61 -0.43 1.61 -1.52 -1.26 -1.15 119.66 118.51 3d5o s GLN 135 Ca 0.00 -1.85 -0.21 0.00 -1.95 0.00 0.00 55.36 51.36 3d5o s GLN 135 Cb 0.00 -1.08 0.02 0.00 -0.22 0.00 0.00 33.01 31.73 3d5o s GLN 135 CO 0.00 -0.05 0.64 -2.00 -0.25 0.00 0.00 175.29 173.63 3d5o s GLU 136 N -3.78 3.30 0.24 2.91 2.12 -1.26 -4.67 118.70 117.55 3d5o s GLU 136 Ca 0.32 -0.36 -0.30 0.00 0.36 0.00 0.00 54.97 54.99 3d5o s GLU 136 Cb 0.06 -3.94 -0.09 0.00 0.26 0.00 0.00 34.13 30.41 3d5o s GLU 136 CO 0.13 -0.99 1.27 -0.65 -0.54 0.00 0.00 175.26 174.48 3d5o s GLN 137 N 2.80 4.43 -0.08 4.30 -1.52 -1.26 -3.84 119.66 124.48 3d5o s GLN 137 Ca 0.22 2.04 0.12 0.00 -1.95 0.00 0.00 55.36 55.80 3d5o s GLN 137 Cb -0.14 -3.17 0.23 0.00 -0.22 0.00 0.00 33.01 29.71 3d5o s GLN 137 CO 0.19 -0.16 1.11 -0.25 -0.25 0.00 0.00 175.29 175.93 3d5o n ASP 138 N 1.98 1.32 0.00 5.90 8.00 -1.26 -4.66 116.55 127.83 3d5o n ASP 138 Ca 0.03 -2.71 0.00 0.00 0.71 0.00 0.00 54.79 52.82 3d5o n ASP 138 Cb 0.43 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 3d5o n ASP 138 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3d5o n SER 139 N -0.69 1.69 -0.10 -2.24 7.64 -1.26 -4.63 113.62 114.02 3d5o n SER 139 Ca 0.10 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.88 3d5o n SER 139 Cb 0.72 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.77 3d5o n SER 139 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3d5o n TYR 140 N 0.00 0.02 -0.01 1.43 0.18 -1.26 -3.96 117.16 113.55 3d5o n TYR 140 Ca 0.00 0.01 0.01 0.00 1.88 0.00 0.00 57.90 59.79 3d5o n TYR 140 Cb 0.00 -1.00 -0.05 0.00 -0.38 0.00 0.00 39.34 37.91 3d5o n TYR 140 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3d5o n GLY 141 N 1.77 -0.28 0.00 -7.48 0.00 -1.26 -4.88 105.19 93.07 3d5o n GLY 141 Ca -0.33 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3d5o n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5o n GLY 142 N 2.35 1.91 2.20 -0.02 0.00 -1.26 -4.99 105.19 105.38 3d5o n GLY 142 Ca -0.04 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 3d5o n GLY 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d5o n LYS 143 N 0.11 2.94 0.00 1.61 5.02 -1.26 -4.81 118.16 121.77 3d5o n LYS 143 Ca 0.00 -3.55 0.00 0.00 -2.02 0.00 0.00 58.31 52.74 3d5o n LYS 143 Cb 0.00 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 32.74 3d5o n LYS 143 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3d5o n PHE 144 N -0.87 0.00 -3.30 2.13 3.01 -1.25 -4.71 117.46 112.48 3d5o n PHE 144 Ca 0.56 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.60 3d5o n PHE 144 Cb 0.79 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 40.18 3d5o n PHE 144 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3d5o s ASP 145 N 0.00 6.24 0.53 4.37 -1.08 -1.25 -4.95 116.67 120.52 3d5o s ASP 145 Ca 0.00 -0.35 0.27 0.00 -0.52 0.00 0.00 52.55 51.95 3d5o s ASP 145 Cb 0.00 -2.24 1.41 0.00 -1.46 0.00 0.00 42.92 40.63 3d5o s ASP 145 CO 0.00 -0.52 1.96 0.03 0.52 0.00 0.00 175.17 177.16 3d5o h ARG 146 N 8.61 0.02 -1.08 4.34 -0.00 -1.93 -2.24 114.38 122.10 3d5o h ARG 146 Ca -0.28 -0.00 -0.62 0.00 -0.50 0.00 0.00 59.98 58.59 3d5o h ARG 146 Cb 1.12 -0.00 -0.27 0.00 0.00 0.00 0.00 29.97 30.82 3d5o h ARG 146 CO 0.77 0.01 0.80 0.45 0.00 0.00 0.00 179.97 182.01 3d5o n SER 147 N -4.35 7.39 -0.11 7.04 2.88 -1.26 -3.56 113.62 121.65 3d5o n SER 147 Ca 0.13 -3.67 0.00 0.00 -1.33 0.00 0.00 58.87 54.00 3d5o n SER 147 Cb 0.72 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 3d5o n SER 147 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3d5o n GLN 148 N -0.72 0.00 -2.44 -1.46 6.02 -0.84 -4.82 117.38 113.11 3d5o n GLN 148 Ca 0.58 -0.28 -0.37 0.00 -0.01 0.00 0.00 57.00 56.91 3d5o n GLN 148 Cb 0.68 -0.23 -0.03 0.00 1.02 0.00 0.00 30.24 31.67 3d5o n GLN 148 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3d5o s SER 149 N -0.10 6.67 -0.06 1.08 1.04 -1.23 -2.77 113.70 118.33 3d5o s SER 149 Ca 0.00 2.16 -0.24 0.00 0.48 0.00 0.00 55.95 58.36 3d5o s SER 149 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 3d5o s SER 149 CO 0.00 -0.56 0.71 0.12 0.98 0.00 0.00 173.24 174.49 3d5o s PHE 150 N -1.54 3.59 -0.34 5.02 5.36 -0.30 -4.81 117.98 124.96 3d5o s PHE 150 Ca 0.57 1.27 0.01 0.00 -0.96 0.00 0.00 56.93 57.83 3d5o s PHE 150 Cb -0.26 -2.81 0.10 0.00 -0.34 0.00 0.00 43.02 39.72 3d5o s PHE 150 CO 0.32 0.10 0.09 0.08 -1.46 0.00 0.00 175.22 174.36 3d5o s VAL 151 N 0.74 1.46 -2.23 3.12 1.01 -1.26 -4.84 120.40 118.41 3d5o s VAL 151 Ca 0.38 -1.87 0.00 0.00 0.00 0.00 0.00 61.98 60.49 3d5o s VAL 151 Cb -0.18 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.11 3d5o s VAL 151 CO 0.19 -0.67 0.00 0.61 0.00 0.00 0.00 175.10 175.23 3d5o n GLY 152 N 4.50 -0.66 3.55 4.51 0.00 -1.08 -4.40 105.19 111.60 3d5o n GLY 152 Ca 0.01 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 3d5o n GLY 152 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d5o s GLU 153 N -0.89 2.25 -0.02 1.61 2.02 0.14 -0.77 118.70 123.05 3d5o s GLU 153 Ca 0.00 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.08 3d5o s GLU 153 Cb 0.00 -2.33 0.02 0.00 0.10 0.00 0.00 34.13 31.91 3d5o s GLU 153 CO 0.00 0.55 0.00 0.42 0.02 0.00 0.00 175.26 176.25 3d5o s ILE 154 N -1.05 0.08 0.38 -1.63 -1.09 -0.25 -1.80 121.20 115.84 3d5o s ILE 154 Ca 0.18 0.08 -0.12 0.00 -2.23 0.00 0.00 60.65 58.55 3d5o s ILE 154 Cb -0.11 -0.15 0.04 0.00 -1.58 0.00 0.00 42.46 40.66 3d5o s ILE 154 CO 0.09 0.09 0.71 -0.83 -1.23 0.00 0.00 174.94 173.76 3d5o s GLY 155 N 0.67 0.69 -1.31 6.18 0.00 0.17 -0.47 107.32 113.25 3d5o s GLY 155 Ca -0.06 -0.97 -0.12 0.00 0.00 0.00 0.00 44.72 43.57 3d5o s GLY 155 CO -0.02 -0.50 0.51 1.22 0.00 0.00 0.00 173.10 174.31 3d5o n ASP 156 N -1.43 -3.19 -4.75 1.64 8.00 -1.26 -0.69 116.55 114.86 3d5o n ASP 156 Ca -0.06 -0.51 -0.41 0.00 0.71 0.00 0.00 54.79 54.53 3d5o n ASP 156 Cb 0.60 -2.66 -0.04 0.00 -0.02 0.00 0.00 41.12 39.00 3d5o n ASP 156 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3d5o s LEU 157 N -6.57 4.51 -0.07 0.64 2.96 -1.26 -4.13 118.68 114.77 3d5o s LEU 157 Ca 0.47 2.32 -0.12 0.00 -0.22 0.00 0.00 54.13 56.59 3d5o s LEU 157 Cb -0.26 -3.63 0.03 0.00 0.50 0.00 0.00 46.19 42.83 3d5o s LEU 157 CO 0.58 -0.26 0.30 -0.31 -1.32 0.00 0.00 176.35 175.34 3d5o s TYR 158 N -0.88 -0.25 -0.15 5.38 1.51 -0.39 -2.49 117.35 120.07 3d5o s TYR 158 Ca 0.47 0.55 -0.04 0.00 -1.01 0.00 0.00 57.07 57.05 3d5o s TYR 158 Cb -0.33 0.10 0.07 0.00 -0.11 0.00 0.00 41.96 41.69 3d5o s TYR 158 CO 0.42 -0.26 0.21 1.41 -1.11 0.00 0.00 175.55 176.22 3d5o s MET 159 N -0.50 0.13 0.37 -0.62 1.75 0.58 -1.29 119.30 119.73 3d5o s MET 159 Ca -0.06 0.46 0.05 0.00 -1.25 0.00 0.00 55.69 54.89 3d5o s MET 159 Cb -0.04 -0.61 -0.00 0.00 2.84 0.00 0.00 34.83 37.01 3d5o s MET 159 CO 0.02 -0.45 0.53 -1.58 -0.65 0.00 0.00 175.02 172.89 3d5o s TRP 160 N 2.34 3.10 -0.37 4.11 0.51 -0.75 -1.70 118.94 126.18 3d5o s TRP 160 Ca 0.04 -0.14 0.07 0.00 -2.12 0.00 0.00 56.10 53.96 3d5o s TRP 160 Cb -0.14 -2.12 0.65 0.00 -0.81 0.00 0.00 33.47 31.05 3d5o s TRP 160 CO -0.09 -0.15 1.78 -0.40 -0.51 0.00 0.00 176.95 177.57 3d5o n ASP 161 N -1.78 3.76 -3.85 2.95 5.75 -1.26 -2.81 116.55 119.32 3d5o n ASP 161 Ca 0.01 -3.53 -0.10 0.00 -0.01 0.00 0.00 54.79 51.16 3d5o n ASP 161 Cb 0.58 -0.76 -0.05 0.00 -1.03 0.00 0.00 41.12 39.86 3d5o n ASP 161 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3d5o s SER 162 N -1.52 0.09 -0.43 -1.12 1.04 -1.23 -4.48 113.70 106.04 3d5o s SER 162 Ca 0.53 -1.06 -0.19 0.00 0.48 0.00 0.00 55.95 55.72 3d5o s SER 162 Cb 0.45 0.60 0.02 0.00 0.10 0.00 0.00 66.02 67.19 3d5o s SER 162 CO 0.09 -1.17 0.54 -0.69 0.98 0.00 0.00 173.24 172.99 3d5o s VAL 163 N -3.81 4.96 0.39 5.02 1.01 -1.26 -2.61 120.40 124.09 3d5o s VAL 163 Ca 0.25 -0.11 -0.26 0.00 0.00 0.00 0.00 61.98 61.85 3d5o s VAL 163 Cb -0.00 -4.12 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 3d5o s VAL 163 CO 0.11 -0.51 1.27 -0.76 0.00 0.00 0.00 175.10 175.22 3d5o s LEU 164 N 2.48 4.26 0.76 3.92 1.02 -1.26 -4.99 118.68 124.87 3d5o s LEU 164 Ca 0.17 2.59 -0.11 0.00 0.02 0.00 0.00 54.13 56.81 3d5o s LEU 164 Cb -0.16 -3.87 0.05 0.00 0.02 0.00 0.00 46.19 42.24 3d5o s LEU 164 CO 0.16 -0.74 1.08 -2.16 0.02 0.00 0.00 176.35 174.71 3d5o s PRO 165 N -2.14 2.34 0.37 1.29 0.04 -1.26 -4.77 135.00 130.87 3d5o s PRO 165 Ca 0.55 0.99 0.17 0.00 0.04 0.00 0.00 61.00 62.75 3d5o s PRO 165 Cb -0.37 -1.92 1.10 0.00 0.04 0.00 0.00 34.50 33.36 3d5o s PRO 165 CO 0.48 -1.53 1.70 -1.35 0.04 0.00 0.00 177.00 176.34 3d5o h PRO 166 N -1.04 0.35 -0.11 0.56 0.11 -1.99 -0.60 132.00 129.28 3d5o h PRO 166 Ca -0.45 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.68 3d5o h PRO 166 Cb 1.23 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 3d5o h PRO 166 CO 0.55 0.23 -0.13 0.93 -0.21 0.00 0.00 178.00 179.37 3d5o h GLU 167 N 0.36 -0.16 -0.69 1.05 3.07 -2.00 -1.34 114.58 114.88 3d5o h GLU 167 Ca 0.69 0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 59.49 3d5o h GLU 167 Cb 1.68 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 29.59 3d5o h GLU 167 CO -0.46 -0.11 0.16 -0.91 -1.40 0.00 0.00 179.01 176.30 3d5o h ASN 168 N -0.17 1.04 -0.75 1.42 2.35 -1.46 -2.15 115.58 115.86 3d5o h ASN 168 Ca 0.08 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 3d5o h ASN 168 Cb 0.29 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 3d5o h ASN 168 CO -0.21 1.00 0.46 0.40 -1.65 0.00 0.00 177.43 177.43 3d5o h ILE 169 N 1.04 1.21 0.00 2.81 2.04 -1.05 -0.96 117.51 122.60 3d5o h ILE 169 Ca 0.22 -0.44 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 3d5o h ILE 169 Cb 0.37 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 3d5o h ILE 169 CO 0.00 0.21 -0.46 -0.07 0.00 0.00 0.00 178.15 177.84 3d5o h LEU 170 N 1.03 0.00 -0.16 1.44 3.38 -0.80 -2.61 115.31 117.59 3d5o h LEU 170 Ca 0.27 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 3d5o h LEU 170 Cb -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3d5o h LEU 170 CO -0.05 0.46 -0.01 0.28 0.09 0.00 0.00 178.44 179.21 3d5o h SER 171 N 0.00 0.29 -0.61 -0.43 0.02 -0.57 -2.03 113.55 110.22 3d5o h SER 171 Ca -0.00 -0.32 0.04 0.00 -0.84 0.00 0.00 61.79 60.66 3d5o h SER 171 Cb 0.93 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.35 3d5o h SER 171 CO 0.06 0.54 0.40 0.00 -1.14 0.00 0.00 176.83 176.69 3d5o h ALA 172 N 0.76 1.70 -0.18 3.77 0.00 -1.23 -0.55 119.26 123.53 3d5o h ALA 172 Ca 0.05 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3d5o h ALA 172 Cb 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3d5o h ALA 172 CO 0.01 0.23 -0.43 -0.92 0.00 0.00 0.00 179.25 178.14 3d5o h TYR 173 N 0.69 0.51 0.00 0.00 3.20 -1.20 -3.08 116.97 117.09 3d5o h TYR 173 Ca 0.25 -0.15 -0.18 0.00 3.14 0.00 0.00 58.73 61.79 3d5o h TYR 173 Cb 0.12 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 3d5o h TYR 173 CO -0.00 0.79 -0.85 1.96 -1.64 0.00 0.00 178.16 178.41 3d5o h GLN 174 N 0.35 0.00 0.00 1.82 1.08 -0.59 -3.48 115.11 114.29 3d5o h GLN 174 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 3d5o h GLN 174 Cb 0.90 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 3d5o h GLN 174 CO 0.08 0.85 0.00 0.41 -0.95 0.00 0.00 178.83 179.22 3d5o n GLY 175 N 1.19 1.40 2.33 3.46 0.00 -0.34 -5.08 105.19 108.14 3d5o n GLY 175 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3d5o n GLY 175 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3d5o n THR 176 N 0.00 -0.45 -0.59 2.61 -1.04 -0.44 -5.00 114.28 109.36 3d5o n THR 176 Ca 0.00 -3.46 -0.28 0.00 -2.04 0.00 0.00 64.05 58.27 3d5o n THR 176 Cb 0.00 -0.87 0.25 0.00 -1.82 0.00 0.00 70.33 67.89 3d5o n THR 176 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3d5o s PRO 177 N -0.90 -0.88 0.46 -2.82 0.04 -1.26 -4.30 135.00 125.34 3d5o s PRO 177 Ca 0.34 0.81 -0.04 0.00 0.04 0.00 0.00 61.00 62.15 3d5o s PRO 177 Cb 0.21 -1.56 -0.03 0.00 0.04 0.00 0.00 34.50 33.16 3d5o s PRO 177 CO -0.13 -3.69 0.74 -0.51 0.04 0.00 0.00 177.00 173.45 3d5o s LEU 178 N -7.18 3.69 -0.11 -3.56 1.02 -1.26 -4.93 118.68 106.35 3d5o s LEU 178 Ca 0.68 0.83 -0.33 0.00 0.02 0.00 0.00 54.13 55.33 3d5o s LEU 178 Cb -0.25 -3.76 -0.11 0.00 0.02 0.00 0.00 46.19 42.10 3d5o s LEU 178 CO 0.64 -0.54 1.96 -0.81 0.02 0.00 0.00 176.35 177.62 3d5o n PRO 179 N -2.18 2.16 0.00 1.29 -0.04 -1.26 -4.94 135.00 130.04 3d5o n PRO 179 Ca -0.00 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 3d5o n PRO 179 Cb 0.55 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 3d5o n PRO 179 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d5o n ALA 180 N 7.60 0.00 -0.75 0.55 0.00 -1.26 -5.03 120.51 121.62 3d5o n ALA 180 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3d5o n ALA 180 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 3d5o n ALA 180 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3d5o n ASN 181 N -1.05 0.00 0.00 0.00 6.94 -1.23 -4.93 115.26 114.98 3d5o n ASN 181 Ca 0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 54.58 54.19 3d5o n ASN 181 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 3d5o n ASN 181 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 3d5o n ILE 182 N 0.00 0.00 -3.69 1.53 5.41 -0.69 -4.79 119.36 117.13 3d5o n ILE 182 Ca 0.00 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.61 3d5o n ILE 182 Cb 0.17 -0.94 -0.14 0.00 -0.71 0.00 0.00 39.64 38.03 3d5o n ILE 182 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3d5o s LEU 183 N -5.30 0.03 -0.08 1.39 1.43 -1.05 -4.47 118.68 110.62 3d5o s LEU 183 Ca 0.00 0.51 0.01 0.00 -1.03 0.00 0.00 54.13 53.62 3d5o s LEU 183 Cb 0.00 0.62 0.02 0.00 0.03 0.00 0.00 46.19 46.85 3d5o s LEU 183 CO 0.00 -0.21 -0.11 -0.62 0.23 0.00 0.00 176.35 175.64 3d5o s ASP 184 N 1.95 1.97 0.34 2.29 -1.08 -1.26 -0.30 116.67 120.58 3d5o s ASP 184 Ca -0.02 -0.32 0.09 0.00 -0.52 0.00 0.00 52.55 51.78 3d5o s ASP 184 Cb -0.11 -0.87 0.62 0.00 -1.46 0.00 0.00 42.92 41.10 3d5o s ASP 184 CO -0.08 -0.01 1.79 -0.25 0.52 0.00 0.00 175.17 177.14 3d5o h TRP 185 N 7.37 0.16 -0.11 -5.34 -0.00 -1.85 0.64 115.95 116.83 3d5o h TRP 185 Ca -0.31 -0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.55 3d5o h TRP 185 Cb 1.17 -0.04 0.00 0.00 -0.00 0.00 0.00 29.16 30.29 3d5o h TRP 185 CO 0.48 0.48 0.00 1.04 -0.00 0.00 0.00 178.44 180.44 3d5o n GLN 186 N -4.10 1.31 -2.68 2.65 6.02 -1.26 -1.64 117.38 117.69 3d5o n GLN 186 Ca -0.01 -0.47 -0.06 0.00 -0.01 0.00 0.00 57.00 56.44 3d5o n GLN 186 Cb 0.41 -1.20 0.10 0.00 1.02 0.00 0.00 30.24 30.57 3d5o n GLN 186 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3d5o n ALA 187 N -0.20 0.79 -2.07 -1.58 0.00 -0.78 -4.38 120.51 112.29 3d5o n ALA 187 Ca 0.09 -1.12 -0.32 0.00 0.00 0.00 0.00 53.44 52.08 3d5o n ALA 187 Cb 0.14 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 3d5o n ALA 187 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3d5o s LEU 188 N -3.08 4.01 -0.38 0.00 2.96 0.15 -4.52 118.68 117.81 3d5o s LEU 188 Ca 0.18 1.36 0.01 0.00 -0.22 0.00 0.00 54.13 55.46 3d5o s LEU 188 Cb 0.35 -4.18 0.12 0.00 0.50 0.00 0.00 46.19 42.97 3d5o s LEU 188 CO -0.08 -0.26 0.17 0.20 -1.32 0.00 0.00 176.35 175.05 3d5o s ASN 189 N -2.34 3.91 0.03 3.68 -0.87 -1.26 -0.37 114.94 117.72 3d5o s ASN 189 Ca 0.56 -2.22 0.00 0.00 -1.57 0.00 0.00 52.86 49.63 3d5o s ASN 189 Cb -0.10 -1.04 0.00 0.00 -0.02 0.00 0.00 41.25 40.09 3d5o s ASN 189 CO 0.18 -0.33 0.01 0.00 -2.57 0.00 0.00 177.10 174.38 3d5o n TYR 190 N 4.09 -0.28 -3.15 2.20 4.11 -1.26 -1.28 117.16 121.60 3d5o n TYR 190 Ca 0.04 -0.15 0.05 0.00 -0.00 0.00 0.00 57.90 57.84 3d5o n TYR 190 Cb 0.38 -0.02 -0.01 0.00 -0.00 0.00 0.00 39.34 39.69 3d5o n TYR 190 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.86 175.03 3d5o s GLU 191 N -2.11 0.38 0.57 -3.48 -1.05 -0.87 -4.94 118.70 107.20 3d5o s GLU 191 Ca 0.00 0.56 -0.19 0.00 -0.15 0.00 0.00 54.97 55.19 3d5o s GLU 191 Cb -0.00 0.30 -0.04 0.00 -0.44 0.00 0.00 34.13 33.94 3d5o s GLU 191 CO 0.00 -0.52 1.20 0.42 0.95 0.00 0.00 175.26 177.31 3d5o s ILE 192 N 2.90 2.70 -0.32 1.83 1.01 -1.26 -2.04 121.20 126.01 3d5o s ILE 192 Ca 0.13 0.45 -0.00 0.00 0.00 0.00 0.00 60.65 61.22 3d5o s ILE 192 Cb -0.10 -3.19 0.13 0.00 0.01 0.00 0.00 42.46 39.31 3d5o s ILE 192 CO -0.19 -0.08 0.26 -0.60 0.00 0.00 0.00 174.94 174.33 3d5o s ARG 193 N -3.24 0.39 0.00 2.79 6.06 -0.62 -4.93 118.95 119.41 3d5o s ARG 193 Ca 0.75 -0.56 0.00 0.00 -2.50 0.00 0.00 55.73 53.42 3d5o s ARG 193 Cb -0.30 -0.88 0.00 0.00 0.06 0.00 0.00 34.95 33.83 3d5o s ARG 193 CO 0.33 -1.09 0.00 0.41 -2.50 0.00 0.00 175.30 172.45 3d5o n GLY 194 N 4.88 0.10 3.42 8.12 0.00 -1.26 -1.75 105.19 118.70 3d5o n GLY 194 Ca 0.02 -1.98 -0.45 0.00 0.00 0.00 0.00 46.02 43.61 3d5o n GLY 194 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3d5o s TYR 195 N 0.00 3.31 -0.18 1.61 5.04 -1.26 -4.94 117.35 120.93 3d5o s TYR 195 Ca 0.00 -1.61 -0.07 0.00 -2.44 0.00 0.00 57.07 52.95 3d5o s TYR 195 Cb 0.00 -4.18 0.08 0.00 0.35 0.00 0.00 41.96 38.21 3d5o s TYR 195 CO 0.00 -1.37 0.39 0.54 -1.34 0.00 0.00 175.55 173.77 3d5o s VAL 196 N 1.97 -0.55 0.17 3.14 0.11 -1.26 -4.44 120.40 119.54 3d5o s VAL 196 Ca 0.31 0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.54 3d5o s VAL 196 Cb -0.06 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 3d5o s VAL 196 CO -0.09 0.08 0.34 -0.63 -3.33 0.00 0.00 175.10 171.47 3d5o s ILE 197 N 2.46 5.26 -0.24 7.04 1.09 -0.94 -4.88 121.20 131.00 3d5o s ILE 197 Ca -0.02 -0.47 -0.08 0.00 -1.10 0.00 0.00 60.65 58.99 3d5o s ILE 197 Cb -0.12 -3.72 -0.03 0.00 -1.06 0.00 0.00 42.46 37.53 3d5o s ILE 197 CO -0.12 -0.11 0.08 -0.63 -0.10 0.00 0.00 174.94 174.06 3d5o s ILE 198 N -1.78 4.45 0.18 2.92 1.01 -1.26 -0.38 121.20 126.34 3d5o s ILE 198 Ca 0.37 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.90 3d5o s ILE 198 Cb -0.11 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.24 3d5o s ILE 198 CO 0.29 0.35 0.02 -0.54 0.00 0.00 0.00 174.94 175.06 3d5o s LYS 199 N 1.41 1.13 0.63 2.79 -0.14 -0.36 -4.94 119.74 120.26 3d5o s LYS 199 Ca 0.05 -1.56 -0.17 0.00 -1.36 0.00 0.00 55.97 52.94 3d5o s LYS 199 Cb -0.15 -0.19 -0.01 0.00 -1.68 0.00 0.00 37.83 35.79 3d5o s LYS 199 CO 0.04 -0.17 1.14 -2.14 -0.76 0.00 0.00 175.35 173.46 3d5o s PRO 200 N -3.95 2.86 -0.56 -1.68 0.02 -1.26 -0.12 135.00 130.31 3d5o s PRO 200 Ca 0.26 1.56 -0.23 0.00 0.02 0.00 0.00 61.00 62.61 3d5o s PRO 200 Cb 0.06 -1.94 0.05 0.00 0.02 0.00 0.00 34.50 32.69 3d5o s PRO 200 CO 0.05 -1.23 0.88 -1.17 -0.33 0.00 0.00 177.00 175.20 3d5o s LEU 201 N -4.54 4.31 -0.14 -5.54 2.96 -0.69 -4.66 118.68 110.39 3d5o s LEU 201 Ca 0.71 -0.56 0.17 0.00 -0.22 0.00 0.00 54.13 54.23 3d5o s LEU 201 Cb -0.24 -2.69 0.73 0.00 0.50 0.00 0.00 46.19 44.49 3d5o s LEU 201 CO 0.37 -1.20 1.64 1.33 -1.32 0.00 0.00 176.35 177.18 3d5o n VAL 202 N 6.04 2.01 -4.42 1.68 0.24 -1.26 -4.94 118.33 117.69 3d5o n VAL 202 Ca -0.01 -1.26 -0.21 0.00 -2.04 0.00 0.00 64.34 60.82 3d5o n VAL 202 Cb 0.47 0.05 -0.10 0.00 -1.47 0.00 0.00 33.84 32.78 3d5o n VAL 202 CO 0.00 0.00 0.00 -1.66 -2.14 0.00 0.00 176.83 173.03 3d5o s TRP 203 N -2.03 1.98 0.00 6.34 1.48 -1.26 -5.26 118.94 120.18 3d5o s TRP 203 Ca 0.51 -0.54 0.00 0.00 -1.06 0.00 0.00 56.10 55.01 3d5o s TRP 203 Cb 0.34 -0.98 0.00 0.00 -1.16 0.00 0.00 33.47 31.67 3d5o s TRP 203 CO 0.22 0.45 0.00 1.33 -4.06 0.00 0.00 176.95 174.89