#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jrm s THR 2 N 0.00 0.54 0.14 12.58 2.01 -1.26 -1.14 115.64 128.51 3jrm s THR 2 Ca 0.00 -0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.08 3jrm s THR 2 Cb 0.00 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.83 3jrm s THR 2 CO 0.00 0.28 -0.19 0.42 -0.69 0.00 0.00 174.62 174.44 3jrm s THR 3 N 1.74 1.73 -0.01 -0.82 -4.23 -0.33 -2.17 115.64 111.56 3jrm s THR 3 Ca 0.02 -1.78 -0.05 0.00 -1.18 0.00 0.00 61.69 58.70 3jrm s THR 3 Cb -0.13 -1.72 -0.00 0.00 1.34 0.00 0.00 72.50 71.99 3jrm s THR 3 CO -0.05 -0.25 0.10 0.54 -0.54 0.00 0.00 174.62 174.42 3jrm s VAL 4 N -1.79 0.07 -0.03 2.29 0.11 0.29 -1.24 120.40 120.11 3jrm s VAL 4 Ca 0.12 -0.56 -0.00 0.00 -2.93 0.00 0.00 61.98 58.61 3jrm s VAL 4 Cb -0.07 -0.33 0.03 0.00 -1.53 0.00 0.00 36.38 34.48 3jrm s VAL 4 CO 0.06 -0.31 0.03 -0.83 -3.33 0.00 0.00 175.10 170.72 3jrm s GLY 5 N -1.02 0.16 0.18 6.54 0.00 -0.25 -1.12 107.32 111.80 3jrm s GLY 5 Ca -0.11 0.25 0.08 0.00 0.00 0.00 0.00 44.72 44.94 3jrm s GLY 5 CO 0.01 0.84 -0.18 -0.26 0.00 0.00 0.00 173.10 173.51 3jrm s ILE 6 N 1.33 1.83 0.02 0.90 -4.36 0.13 -1.42 121.20 119.63 3jrm s ILE 6 Ca -0.06 -1.99 0.07 0.00 -0.26 0.00 0.00 60.65 58.41 3jrm s ILE 6 Cb -0.13 -1.90 -0.03 0.00 1.25 0.00 0.00 42.46 41.65 3jrm s ILE 6 CO -0.03 -0.38 -0.21 0.42 0.24 0.00 0.00 174.94 174.99 3jrm s THR 7 N -2.25 2.54 0.04 8.37 -4.23 -0.63 -1.59 115.64 117.89 3jrm s THR 7 Ca 0.18 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 3jrm s THR 7 Cb -0.05 -2.01 -0.00 0.00 1.34 0.00 0.00 72.50 71.78 3jrm s THR 7 CO 0.07 0.42 0.01 0.18 -0.54 0.00 0.00 174.62 174.76 3jrm n LEU 8 N 1.86 0.00 -0.14 4.79 4.77 -0.64 -4.91 117.00 122.73 3jrm n LEU 8 Ca -0.16 -0.30 -0.07 0.00 -0.03 0.00 0.00 56.01 55.44 3jrm n LEU 8 Cb 0.52 0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.69 3jrm n LEU 8 CO 0.25 -0.05 1.04 0.11 -1.33 0.00 0.00 177.39 177.42 3jrm h LYS 9 N 0.00 0.54 -0.07 3.23 1.57 -1.84 -3.23 116.57 116.78 3jrm h LYS 9 Ca -0.03 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.57 3jrm h LYS 9 Cb 0.12 -0.12 -0.26 0.00 0.08 0.00 0.00 32.23 32.05 3jrm h LYS 9 CO 0.06 0.36 -0.85 -0.25 -0.57 0.00 0.00 179.45 178.20 3jrm n ASP 10 N -4.81 1.47 -3.72 0.86 10.43 -1.26 -4.68 116.55 114.84 3jrm n ASP 10 Ca 0.02 -2.75 -0.10 0.00 2.57 0.00 0.00 54.79 54.52 3jrm n ASP 10 Cb 0.04 -0.40 -0.06 0.00 1.84 0.00 0.00 41.12 42.55 3jrm n ASP 10 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3jrm s ALA 11 N -1.58 -0.66 -0.05 2.24 0.00 -1.22 -4.46 121.76 116.04 3jrm s ALA 11 Ca 0.36 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.08 3jrm s ALA 11 Cb 0.38 0.60 0.01 0.00 0.00 0.00 0.00 23.12 24.11 3jrm s ALA 11 CO -0.12 -0.58 -0.08 0.08 0.00 0.00 0.00 175.76 175.06 3jrm s VAL 12 N -3.77 0.82 -0.10 0.00 1.01 -0.78 -1.62 120.40 115.96 3jrm s VAL 12 Ca 0.03 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.72 3jrm s VAL 12 Cb 0.03 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 3jrm s VAL 12 CO -0.11 0.28 -0.17 -0.63 0.00 0.00 0.00 175.10 174.47 3jrm s ILE 13 N 0.66 2.74 -0.02 2.22 1.01 -0.62 -0.71 121.20 126.49 3jrm s ILE 13 Ca -0.11 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.79 3jrm s ILE 13 Cb -0.14 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.22 3jrm s ILE 13 CO 0.02 0.55 -0.14 -0.04 0.00 0.00 0.00 174.94 175.33 3jrm s MET 14 N 0.13 1.16 0.04 2.79 -1.94 -0.37 -0.69 119.30 120.41 3jrm s MET 14 Ca -0.08 -0.48 -0.12 0.00 -1.71 0.00 0.00 55.69 53.29 3jrm s MET 14 Cb -0.15 -1.10 0.01 0.00 2.01 0.00 0.00 34.83 35.60 3jrm s MET 14 CO 0.05 0.27 0.26 0.00 -0.01 0.00 0.00 175.02 175.60 3jrm s ALA 15 N -0.24 -0.58 0.26 3.03 0.00 -0.28 -0.84 121.76 123.11 3jrm s ALA 15 Ca 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 51.96 51.91 3jrm s ALA 15 Cb -0.06 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 3jrm s ALA 15 CO -0.00 -0.38 0.28 0.95 0.00 0.00 0.00 175.76 176.62 3jrm s THR 16 N -2.42 0.00 0.09 0.00 -4.23 -0.75 -0.55 115.64 107.79 3jrm s THR 16 Ca -0.06 -1.82 0.01 0.00 -1.18 0.00 0.00 61.69 58.64 3jrm s THR 16 Cb -0.01 -2.47 0.01 0.00 1.34 0.00 0.00 72.50 71.37 3jrm s THR 16 CO -0.03 0.00 0.06 -1.84 -0.54 0.00 0.00 174.62 172.28 3jrm n GLU 17 N -0.41 1.39 -0.08 3.99 -0.00 -0.92 -1.59 120.64 123.02 3jrm n GLU 17 Ca 0.02 -0.60 0.02 0.00 -0.00 0.00 0.00 57.16 56.60 3jrm n GLU 17 Cb 0.64 0.07 0.02 0.00 -0.00 0.00 0.00 31.44 32.17 3jrm n GLU 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3jrm n ARG 18 N -0.68 1.36 -2.82 3.44 1.74 -0.81 -4.57 116.66 114.32 3jrm n ARG 18 Ca -0.01 -1.30 -0.40 0.00 -0.77 0.00 0.00 57.85 55.38 3jrm n ARG 18 Cb 0.11 -0.86 -0.06 0.00 -1.02 0.00 0.00 32.46 30.64 3jrm n ARG 18 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3jrm s ARG 19 N -0.86 4.72 -0.16 5.56 3.52 -0.60 -0.40 118.95 130.74 3jrm s ARG 19 Ca 0.05 1.37 0.00 0.00 -0.13 0.00 0.00 55.73 57.02 3jrm s ARG 19 Cb 0.05 -3.31 0.02 0.00 -1.56 0.00 0.00 34.95 30.15 3jrm s ARG 19 CO 0.00 0.44 -0.15 0.08 -0.81 0.00 0.00 175.30 174.86 3jrm s VAL 20 N -0.78 1.66 0.10 7.11 1.01 0.10 -4.76 120.40 124.84 3jrm s VAL 20 Ca 0.41 -0.69 0.10 0.00 0.00 0.00 0.00 61.98 61.79 3jrm s VAL 20 Cb -0.24 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 3jrm s VAL 20 CO 0.29 0.47 -0.25 0.42 0.00 0.00 0.00 175.10 176.04 3jrm s THR 21 N 1.45 2.37 -0.55 3.92 -4.23 -1.26 -1.74 115.64 115.60 3jrm s THR 21 Ca 0.05 -1.57 -0.04 0.00 -1.18 0.00 0.00 61.69 58.95 3jrm s THR 21 Cb -0.13 -2.02 0.14 0.00 1.34 0.00 0.00 72.50 71.84 3jrm s THR 21 CO -0.11 0.19 0.37 -0.32 -0.54 0.00 0.00 174.62 174.21 3jrm s MET 22 N -1.79 2.44 7.02 3.99 -2.45 -0.51 -4.92 119.30 123.07 3jrm s MET 22 Ca 0.14 -2.22 0.00 0.00 -1.25 0.00 0.00 55.69 52.36 3jrm s MET 22 Cb -0.10 -3.75 0.00 0.00 1.25 0.00 0.00 34.83 32.23 3jrm s MET 22 CO 0.05 -1.15 0.00 -1.91 1.05 0.00 0.00 175.02 173.06 3jrm n GLU 23 N 4.02 0.00 0.00 4.11 4.07 -1.26 -2.29 120.64 129.29 3jrm n GLU 23 Ca 0.03 0.00 0.14 0.00 -0.06 0.00 0.00 57.16 57.27 3jrm n GLU 23 Cb 0.40 0.00 0.54 0.00 -0.06 0.00 0.00 31.44 32.32 3jrm n GLU 23 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 3jrm n ASN 24 N 6.82 0.18 -4.56 4.31 0.23 -1.26 -4.84 115.26 116.14 3jrm n ASN 24 Ca 0.00 0.13 -0.43 0.00 -0.53 0.00 0.00 54.58 53.75 3jrm n ASN 24 Cb 0.00 -0.24 -0.04 0.00 -2.08 0.00 0.00 39.78 37.41 3jrm n ASN 24 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 3jrm s PHE 25 N -2.90 2.91 -0.78 -2.53 2.19 -0.97 -4.99 117.98 110.91 3jrm s PHE 25 Ca 0.16 0.36 -0.26 0.00 0.33 0.00 0.00 56.93 57.52 3jrm s PHE 25 Cb 0.19 -3.99 0.01 0.00 -1.31 0.00 0.00 43.02 37.92 3jrm s PHE 25 CO 0.56 -1.12 1.58 0.42 1.83 0.00 0.00 175.22 178.49 3jrm s ILE 26 N 3.78 3.61 0.03 3.12 1.01 -1.26 -1.43 121.20 130.06 3jrm s ILE 26 Ca 0.37 0.02 -0.03 0.00 0.00 0.00 0.00 60.65 61.01 3jrm s ILE 26 Cb -0.10 -4.52 -0.28 0.00 0.01 0.00 0.00 42.46 37.57 3jrm s ILE 26 CO 0.26 -1.46 0.96 0.24 0.00 0.00 0.00 174.94 174.94 3jrm h MET 27 N 11.64 0.24 -3.59 2.79 2.86 -1.69 -3.46 114.93 123.72 3jrm h MET 27 Ca -0.13 -0.41 -0.33 0.00 -2.06 0.00 0.00 59.70 56.77 3jrm h MET 27 Cb 1.07 0.15 -0.35 0.00 0.06 0.00 0.00 31.60 32.54 3jrm h MET 27 CO 1.28 1.13 -0.74 -1.01 1.06 0.00 0.00 176.91 178.63 3jrm s HIS 28 N -2.63 0.17 -0.67 -0.22 3.76 -1.00 -5.03 115.29 109.67 3jrm s HIS 28 Ca -0.07 0.08 0.24 0.00 -0.15 0.00 0.00 55.06 55.16 3jrm s HIS 28 Cb 0.07 -0.35 0.26 0.00 1.11 0.00 0.00 32.58 33.67 3jrm s HIS 28 CO 0.86 -0.12 1.23 1.63 -0.85 0.00 0.00 174.74 177.49 3jrm n LYS 29 N 4.30 0.25 -3.17 1.40 5.02 -1.26 0.01 118.16 124.72 3jrm n LYS 29 Ca -0.24 0.04 -0.22 0.00 -2.02 0.00 0.00 58.31 55.87 3jrm n LYS 29 Cb 0.50 -1.63 -0.05 0.00 -0.02 0.00 0.00 35.03 33.83 3jrm n LYS 29 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3jrm n ASN 30 N -1.98 1.40 -4.81 4.39 3.02 -1.21 -4.21 115.26 111.86 3jrm n ASN 30 Ca 0.03 -3.05 -0.28 0.00 -0.03 0.00 0.00 54.58 51.25 3jrm n ASN 30 Cb 0.43 -0.62 0.10 0.00 -0.61 0.00 0.00 39.78 39.07 3jrm n ASN 30 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3jrm s GLY 31 N -2.23 1.63 -0.12 7.41 0.00 0.46 -5.04 107.32 109.43 3jrm s GLY 31 Ca 0.40 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 44.33 3jrm s GLY 31 CO -0.09 -0.28 -0.13 1.25 0.00 0.00 0.00 173.10 173.85 3jrm s LYS 32 N -5.54 3.33 0.00 2.90 2.20 -1.26 -4.57 119.74 116.79 3jrm s LYS 32 Ca 0.63 -0.68 0.00 0.00 -0.36 0.00 0.00 55.97 55.56 3jrm s LYS 32 Cb -0.10 -2.62 0.00 0.00 -1.51 0.00 0.00 37.83 33.60 3jrm s LYS 32 CO 0.49 0.25 0.28 1.63 -0.36 0.00 0.00 175.35 177.63 3jrm n LYS 33 N 3.43 0.78 -4.69 4.03 5.02 -1.26 -4.98 118.16 120.48 3jrm n LYS 33 Ca -0.18 -0.28 -0.30 0.00 -2.02 0.00 0.00 58.31 55.53 3jrm n LYS 33 Cb 0.53 -0.75 -0.17 0.00 -0.02 0.00 0.00 35.03 34.62 3jrm n LYS 33 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3jrm s LEU 34 N -0.38 1.88 0.00 -0.35 2.96 -1.26 -1.42 118.68 120.11 3jrm s LEU 34 Ca 0.00 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 3jrm s LEU 34 Cb 0.00 -1.20 -0.01 0.00 0.50 0.00 0.00 46.19 45.48 3jrm s LEU 34 CO 0.00 0.06 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.69 3jrm s PHE 35 N 0.76 0.40 0.08 5.38 0.08 -0.41 -5.00 117.98 119.27 3jrm s PHE 35 Ca -0.11 -0.11 -0.29 0.00 0.12 0.00 0.00 56.93 56.55 3jrm s PHE 35 Cb -0.16 -0.26 -0.05 0.00 -0.57 0.00 0.00 43.02 41.98 3jrm s PHE 35 CO 0.01 -0.02 0.92 -1.14 -0.10 0.00 0.00 175.22 174.90 3jrm s GLN 36 N -0.23 4.63 0.00 0.44 0.74 -1.26 -0.74 119.66 123.24 3jrm s GLN 36 Ca 0.01 1.36 0.00 0.00 0.05 0.00 0.00 55.36 56.77 3jrm s GLN 36 Cb -0.02 -3.39 0.00 0.00 1.10 0.00 0.00 33.01 30.70 3jrm s GLN 36 CO -0.00 0.18 0.43 0.44 -0.55 0.00 0.00 175.29 175.79 3jrm n ILE 37 N 2.98 0.06 -3.86 -2.34 -5.35 0.09 -4.92 119.36 106.02 3jrm n ILE 37 Ca 0.02 -0.42 -0.04 0.00 -0.27 0.00 0.00 62.75 62.03 3jrm n ILE 37 Cb 0.50 1.17 0.02 0.00 -1.74 0.00 0.00 39.64 39.59 3jrm n ILE 37 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3jrm n ASP 38 N -0.03 -1.85 -0.04 7.28 -0.08 -1.06 -4.57 116.55 116.19 3jrm n ASP 38 Ca 0.00 -2.07 -0.09 0.00 -1.51 0.00 0.00 54.79 51.12 3jrm n ASP 38 Cb 0.07 3.04 -0.03 0.00 2.34 0.00 0.00 41.12 46.54 3jrm n ASP 38 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 3jrm h THR 39 N 1.97 0.96 -0.51 5.18 2.02 -1.98 -3.03 112.91 117.53 3jrm h THR 39 Ca -0.28 -0.06 -0.36 0.00 0.77 0.00 0.00 66.41 66.47 3jrm h THR 39 Cb 1.19 0.76 -0.26 0.00 -1.74 0.00 0.00 68.15 68.10 3jrm h THR 39 CO 0.37 0.03 -0.53 -1.22 0.37 0.00 0.00 175.52 174.55 3jrm n TYR 40 N -5.03 1.81 -4.12 3.16 4.01 -1.26 -3.21 117.16 112.52 3jrm n TYR 40 Ca -0.03 -2.00 -0.17 0.00 -0.16 0.00 0.00 57.90 55.54 3jrm n TYR 40 Cb 0.07 -0.41 -0.15 0.00 -0.31 0.00 0.00 39.34 38.54 3jrm n TYR 40 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3jrm s THR 41 N -4.07 0.40 0.17 -0.72 2.01 -1.15 -1.90 115.64 110.39 3jrm s THR 41 Ca 0.47 -0.13 0.07 0.00 0.31 0.00 0.00 61.69 62.42 3jrm s THR 41 Cb 0.41 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 72.47 3jrm s THR 41 CO 0.00 0.16 -0.15 -0.83 -0.69 0.00 0.00 174.62 173.11 3jrm s GLY 42 N 0.43 1.32 -0.02 4.40 0.00 0.16 -0.73 107.32 112.89 3jrm s GLY 42 Ca -0.05 -1.52 0.01 0.00 0.00 0.00 0.00 44.72 43.16 3jrm s GLY 42 CO -0.00 -1.60 -0.03 -0.29 0.00 0.00 0.00 173.10 171.18 3jrm s MET 43 N -3.21 0.40 0.09 2.90 1.75 0.08 -1.12 119.30 120.19 3jrm s MET 43 Ca 0.17 -0.08 0.05 0.00 -1.25 0.00 0.00 55.69 54.58 3jrm s MET 43 Cb -0.03 -0.44 -0.04 0.00 2.84 0.00 0.00 34.83 37.16 3jrm s MET 43 CO 0.06 0.00 -0.02 0.95 -0.65 0.00 0.00 175.02 175.36 3jrm s THR 44 N 0.36 3.88 -0.02 10.11 -4.23 0.09 -1.28 115.64 124.54 3jrm s THR 44 Ca -0.04 -1.03 0.07 0.00 -1.18 0.00 0.00 61.69 59.51 3jrm s THR 44 Cb -0.07 -2.84 -0.02 0.00 1.34 0.00 0.00 72.50 70.92 3jrm s THR 44 CO -0.01 0.13 -0.22 0.27 -0.54 0.00 0.00 174.62 174.25 3jrm s ILE 45 N -1.28 1.78 0.06 2.99 -4.36 -0.50 -2.35 121.20 117.54 3jrm s ILE 45 Ca 0.25 -0.95 0.01 0.00 -0.26 0.00 0.00 60.65 59.69 3jrm s ILE 45 Cb -0.12 -1.49 -0.03 0.00 1.25 0.00 0.00 42.46 42.08 3jrm s ILE 45 CO 0.17 0.50 -0.05 0.00 0.24 0.00 0.00 174.94 175.80 3jrm s ALA 46 N -0.44 0.60 0.00 2.27 0.00 -0.82 -4.88 121.76 118.49 3jrm s ALA 46 Ca 0.06 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.98 3jrm s ALA 46 Cb -0.09 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.19 3jrm s ALA 46 CO -0.00 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.96 3jrm n GLY 47 N 0.62 -0.08 3.68 0.00 0.00 -1.26 -1.54 105.19 106.61 3jrm n GLY 47 Ca -0.17 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 3jrm n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jrm s LEU 48 N 0.00 4.32 0.14 0.99 2.96 0.12 -4.90 118.68 122.30 3jrm s LEU 48 Ca 0.00 2.14 -0.18 0.00 -0.22 0.00 0.00 54.13 55.88 3jrm s LEU 48 Cb 0.00 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.11 3jrm s LEU 48 CO 0.00 -0.76 1.78 0.58 -1.32 0.00 0.00 176.35 176.63 3jrm h VAL 49 N 4.99 1.10 -0.10 1.68 2.07 -1.92 -1.64 116.25 122.43 3jrm h VAL 49 Ca -0.38 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 66.96 3jrm h VAL 49 Cb 1.18 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 3jrm h VAL 49 CO 0.91 0.10 -0.14 1.23 0.02 0.00 0.00 177.57 179.69 3jrm h GLY 50 N 0.43 -0.08 0.77 2.17 0.00 -1.99 -0.63 103.07 103.74 3jrm h GLY 50 Ca 0.12 0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.65 3jrm h GLY 50 CO -0.02 -0.14 0.28 -0.55 0.00 0.00 0.00 176.54 176.11 3jrm h ASP 51 N -0.18 0.42 -0.51 0.19 3.32 -1.90 -1.86 116.42 115.90 3jrm h ASP 51 Ca 0.08 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 3jrm h ASP 51 Cb 0.30 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3jrm h ASP 51 CO -0.21 0.29 0.30 0.00 -1.72 0.00 0.00 179.24 177.91 3jrm h ALA 52 N 1.26 0.65 -0.47 3.45 0.00 -0.96 -1.97 119.26 121.22 3jrm h ALA 52 Ca 0.22 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3jrm h ALA 52 Cb 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3jrm h ALA 52 CO -0.14 0.14 -0.10 1.96 0.00 0.00 0.00 179.25 181.11 3jrm h GLN 53 N 0.68 0.90 -0.21 0.00 4.20 -0.85 -0.08 115.11 119.75 3jrm h GLN 53 Ca 0.18 -0.34 0.04 0.00 0.06 0.00 0.00 58.65 58.59 3jrm h GLN 53 Cb -0.00 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 3jrm h GLN 53 CO -0.03 0.99 -0.07 0.28 -0.67 0.00 0.00 178.83 179.33 3jrm h VAL 54 N 0.75 0.75 -0.75 -0.54 2.07 -1.30 -2.35 116.25 114.88 3jrm h VAL 54 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 3jrm h VAL 54 Cb 0.65 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 3jrm h VAL 54 CO 0.04 0.00 0.47 -0.07 0.02 0.00 0.00 177.57 178.04 3jrm h LEU 55 N -0.03 0.88 -0.43 2.57 3.38 -0.91 -1.06 115.31 119.71 3jrm h LEU 55 Ca 0.10 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3jrm h LEU 55 Cb 0.18 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3jrm h LEU 55 CO -0.23 0.65 0.28 0.58 0.09 0.00 0.00 178.44 179.81 3jrm h VAL 56 N 1.02 1.09 -0.41 1.22 2.07 -0.61 -1.29 116.25 119.34 3jrm h VAL 56 Ca 0.27 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 3jrm h VAL 56 Cb -0.08 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3jrm h VAL 56 CO -0.05 0.10 0.15 0.03 0.02 0.00 0.00 177.57 177.82 3jrm h ARG 57 N 0.56 0.62 -0.34 1.57 3.08 -0.92 -1.62 114.38 117.33 3jrm h ARG 57 Ca 0.16 -0.12 0.05 0.00 0.07 0.00 0.00 59.98 60.14 3jrm h ARG 57 Cb -0.05 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 29.86 3jrm h ARG 57 CO -0.04 0.60 0.05 1.88 -1.07 0.00 0.00 179.97 181.38 3jrm h TYR 58 N 0.51 0.07 -0.61 3.04 0.99 -0.98 -0.82 116.97 119.17 3jrm h TYR 58 Ca 0.13 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.83 3jrm h TYR 58 Cb 0.22 0.02 -0.03 0.00 1.00 0.00 0.00 36.73 37.95 3jrm h TYR 58 CO 0.00 -0.01 0.18 0.52 -0.00 0.00 0.00 178.16 178.85 3jrm h MET 59 N 0.16 0.96 -0.32 4.88 2.86 -1.03 0.32 114.93 122.75 3jrm h MET 59 Ca 0.17 -0.22 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3jrm h MET 59 Cb 0.20 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 3jrm h MET 59 CO -0.24 0.86 0.09 0.87 1.06 0.00 0.00 176.91 179.55 3jrm h LYS 60 N 0.88 0.20 0.39 1.72 1.57 -1.03 -0.43 116.57 119.88 3jrm h LYS 60 Ca 0.20 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 3jrm h LYS 60 Cb 0.31 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3jrm h LYS 60 CO -0.00 0.14 -0.19 0.00 -0.57 0.00 0.00 179.45 178.82 3jrm h ALA 61 N 1.22 -0.52 -0.34 3.86 0.00 -0.70 -1.63 119.26 121.15 3jrm h ALA 61 Ca 0.15 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3jrm h ALA 61 Cb 0.15 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3jrm h ALA 61 CO -0.18 -0.76 -0.07 1.49 0.00 0.00 0.00 179.25 179.73 3jrm h GLU 62 N -0.60 0.56 0.09 0.00 4.22 -0.17 -0.63 114.58 118.06 3jrm h GLU 62 Ca -0.05 -0.15 -0.26 0.00 0.08 0.00 0.00 59.36 58.98 3jrm h GLU 62 Cb 0.44 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3jrm h GLU 62 CO 0.09 0.64 -1.15 -0.07 -2.18 0.00 0.00 179.01 176.34 3jrm h LEU 63 N 0.52 0.45 -0.26 1.64 3.38 -1.10 -1.72 115.31 118.23 3jrm h LEU 63 Ca 0.10 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 3jrm h LEU 63 Cb 0.45 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3jrm h LEU 63 CO 0.02 1.31 0.16 -0.08 0.09 0.00 0.00 178.44 179.94 3jrm h GLU 64 N 0.12 0.36 0.03 1.13 4.81 -0.86 -1.81 114.58 118.35 3jrm h GLU 64 Ca -0.12 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 3jrm h GLU 64 Cb 1.84 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.13 3jrm h GLU 64 CO 0.19 0.28 -0.08 1.25 -0.73 0.00 0.00 179.01 179.93 3jrm h LEU 65 N 0.33 -0.21 -0.71 1.64 5.85 -1.12 -2.54 115.31 118.54 3jrm h LEU 65 Ca 0.09 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.96 3jrm h LEU 65 Cb 0.02 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.05 3jrm h LEU 65 CO -0.02 -0.12 0.32 0.22 -0.34 0.00 0.00 178.44 178.50 3jrm h TYR 66 N -0.15 0.56 -0.69 1.25 5.03 -1.25 -1.03 116.97 120.69 3jrm h TYR 66 Ca 0.02 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.29 3jrm h TYR 66 Cb 0.17 -0.14 -0.03 0.00 1.55 0.00 0.00 36.73 38.28 3jrm h TYR 66 CO -0.13 0.15 0.15 -0.09 -1.32 0.00 0.00 178.16 176.91 3jrm h ARG 67 N 0.51 1.11 -0.36 1.82 2.43 -1.00 0.14 114.38 119.04 3jrm h ARG 67 Ca 0.37 -0.28 -0.15 0.00 -0.81 0.00 0.00 59.98 59.12 3jrm h ARG 67 Cb 0.47 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3jrm h ARG 67 CO -0.33 0.99 -0.35 -0.07 -1.51 0.00 0.00 179.97 178.70 3jrm h LEU 68 N 1.05 0.93 -0.65 3.80 3.38 -1.04 0.46 115.31 123.24 3jrm h LEU 68 Ca 0.21 -0.47 -0.14 0.00 0.09 0.00 0.00 57.88 57.58 3jrm h LEU 68 Cb 0.39 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3jrm h LEU 68 CO 0.01 1.21 -0.51 1.56 0.09 0.00 0.00 178.44 180.79 3jrm h GLN 69 N 0.67 0.43 0.00 1.13 4.20 -0.84 -3.32 115.11 117.38 3jrm h GLN 69 Ca 0.06 -0.25 -0.06 0.00 0.06 0.00 0.00 58.65 58.46 3jrm h GLN 69 Cb 0.94 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 3jrm h GLN 69 CO 0.09 0.84 -1.98 0.54 -0.67 0.00 0.00 178.83 177.64 3jrm n ARG 70 N -3.96 0.67 -1.32 1.46 3.00 0.46 -4.98 116.66 111.98 3jrm n ARG 70 Ca -0.02 -0.15 -0.11 0.00 -0.01 0.00 0.00 57.85 57.55 3jrm n ARG 70 Cb 0.57 -1.48 -0.05 0.00 0.00 0.00 0.00 32.46 31.50 3jrm n ARG 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3jrm n ARG 71 N -2.28 -1.39 -4.09 5.56 1.74 0.16 -4.98 116.66 111.38 3jrm n ARG 71 Ca -0.08 0.86 -0.12 0.00 -0.77 0.00 0.00 57.85 57.74 3jrm n ARG 71 Cb 0.62 -5.11 -0.11 0.00 -1.02 0.00 0.00 32.46 26.84 3jrm n ARG 71 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3jrm s VAL 72 N -2.11 0.58 0.50 1.55 -7.23 -1.24 -5.04 120.40 107.41 3jrm s VAL 72 Ca 0.00 -1.29 -0.22 0.00 -1.81 0.00 0.00 61.98 58.66 3jrm s VAL 72 Cb 0.00 -0.88 -0.06 0.00 0.56 0.00 0.00 36.38 36.00 3jrm s VAL 72 CO 0.00 -0.50 1.21 0.20 -0.31 0.00 0.00 175.10 175.70 3jrm s ASN 73 N -1.94 5.81 0.19 4.85 -0.87 -1.26 -4.23 114.94 117.49 3jrm s ASN 73 Ca -0.05 2.42 -0.32 0.00 -1.57 0.00 0.00 52.86 53.34 3jrm s ASN 73 Cb -0.06 -2.61 -0.12 0.00 -0.02 0.00 0.00 41.25 38.44 3jrm s ASN 73 CO -0.01 -1.17 1.75 -0.32 -2.57 0.00 0.00 177.10 174.78 3jrm s MET 74 N -2.86 4.13 0.52 -0.60 -2.45 -1.26 -4.94 119.30 111.83 3jrm s MET 74 Ca 0.68 2.61 -0.21 0.00 -1.25 0.00 0.00 55.69 57.52 3jrm s MET 74 Cb -0.31 -3.19 -0.07 0.00 1.25 0.00 0.00 34.83 32.51 3jrm s MET 74 CO 0.37 -0.77 1.01 -2.30 1.05 0.00 0.00 175.02 174.37 3jrm n PRO 75 N 4.36 1.17 -0.22 4.11 -0.02 -1.26 -4.81 135.00 138.33 3jrm n PRO 75 Ca 0.16 0.43 -0.08 0.00 -2.02 0.00 0.00 63.50 62.00 3jrm n PRO 75 Cb 0.36 -2.15 0.03 0.00 -0.02 0.00 0.00 33.50 31.72 3jrm n PRO 75 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3jrm h ILE 76 N 1.02 1.24 -0.06 4.25 1.08 -1.92 0.02 117.51 123.14 3jrm h ILE 76 Ca -0.47 -0.80 0.01 0.00 -0.39 0.00 0.00 64.86 63.21 3jrm h ILE 76 Cb 1.35 0.61 -0.00 0.00 -3.07 0.00 0.00 36.82 35.71 3jrm h ILE 76 CO 0.54 0.30 0.04 -0.08 -0.69 0.00 0.00 178.15 178.26 3jrm h GLU 77 N 0.86 0.05 -0.27 2.37 4.81 -1.99 -1.82 114.58 118.59 3jrm h GLU 77 Ca 0.20 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.28 3jrm h GLU 77 Cb 0.26 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3jrm h GLU 77 CO -0.01 0.03 -0.41 0.00 -0.73 0.00 0.00 179.01 177.89 3jrm h ALA 78 N 1.97 0.78 -0.44 2.92 0.00 -1.38 0.05 119.26 123.16 3jrm h ALA 78 Ca 0.02 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 3jrm h ALA 78 Cb 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3jrm h ALA 78 CO -0.00 0.66 0.14 0.28 0.00 0.00 0.00 179.25 180.32 3jrm h VAL 79 N 0.53 1.22 -0.53 0.00 2.07 -0.49 0.08 116.25 119.13 3jrm h VAL 79 Ca 0.04 -0.71 -0.09 0.00 0.82 0.00 0.00 66.70 66.76 3jrm h VAL 79 Cb 0.93 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 3jrm h VAL 79 CO 0.08 0.26 -0.01 0.00 0.02 0.00 0.00 177.57 177.92 3jrm h ALA 80 N 0.99 0.98 -0.38 1.67 0.00 -1.31 -1.82 119.26 119.40 3jrm h ALA 80 Ca 0.14 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 3jrm h ALA 80 Cb 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3jrm h ALA 80 CO -0.01 0.62 -0.25 1.15 0.00 0.00 0.00 179.25 180.76 3jrm h THR 81 N 0.83 1.27 0.10 0.00 2.02 -0.68 0.25 112.91 116.71 3jrm h THR 81 Ca 0.15 -1.37 -0.00 0.00 0.77 0.00 0.00 66.41 65.96 3jrm h THR 81 Cb 0.51 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3jrm h THR 81 CO 0.03 0.46 -0.05 0.25 0.37 0.00 0.00 175.52 176.58 3jrm h LEU 82 N 0.68 -0.11 -0.87 2.58 5.85 -0.80 -1.65 115.31 120.99 3jrm h LEU 82 Ca 0.09 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.75 3jrm h LEU 82 Cb 0.77 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.78 3jrm h LEU 82 CO 0.06 0.01 0.57 -0.07 -0.34 0.00 0.00 178.44 178.67 3jrm h LEU 83 N -0.23 0.96 -0.16 2.25 3.38 -1.18 -1.46 115.31 118.88 3jrm h LEU 83 Ca -0.01 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.99 3jrm h LEU 83 Cb 0.19 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.64 3jrm h LEU 83 CO 0.02 0.68 -0.36 -1.28 0.09 0.00 0.00 178.44 177.60 3jrm h SER 84 N 1.13 -1.12 -0.54 -0.43 0.87 -0.73 -0.80 113.55 111.93 3jrm h SER 84 Ca 0.34 0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 61.05 3jrm h SER 84 Cb -0.06 0.47 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 3jrm h SER 84 CO -0.10 -0.38 0.32 0.78 -0.53 0.00 0.00 176.83 176.93 3jrm h ASN 85 N -0.41 0.65 -0.18 6.23 2.35 -0.88 -1.66 115.58 121.67 3jrm h ASN 85 Ca 0.10 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3jrm h ASN 85 Cb 0.57 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3jrm h ASN 85 CO -0.39 0.52 0.11 0.24 -1.65 0.00 0.00 177.43 176.26 3jrm h MET 86 N 0.73 0.25 -0.26 0.81 2.86 -0.90 -0.82 114.93 117.59 3jrm h MET 86 Ca 0.19 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.67 3jrm h MET 86 Cb -0.01 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 3jrm h MET 86 CO -0.04 0.23 -0.39 -0.07 1.06 0.00 0.00 176.91 177.70 3jrm h LEU 87 N 0.21 0.79 -0.75 1.22 4.07 -1.11 -3.01 115.31 116.73 3jrm h LEU 87 Ca 0.07 -0.51 -0.11 0.00 0.08 0.00 0.00 57.88 57.40 3jrm h LEU 87 Cb 0.05 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.54 3jrm h LEU 87 CO -0.01 1.15 -0.18 -1.13 -1.08 0.00 0.00 178.44 177.19 3jrm h ASN 88 N 0.46 0.76 -0.96 -0.43 -0.73 -1.27 -2.36 115.58 111.03 3jrm h ASN 88 Ca 0.02 -0.25 0.21 0.00 1.87 0.00 0.00 56.30 58.15 3jrm h ASN 88 Cb 0.98 -0.21 -0.08 0.00 0.27 0.00 0.00 38.32 39.28 3jrm h ASN 88 CO 0.09 0.94 0.62 1.56 -0.37 0.00 0.00 177.43 180.27 3jrm h GLN 89 N 0.67 0.49 -0.68 6.67 4.20 -1.01 -1.78 115.11 123.67 3jrm h GLN 89 Ca 0.10 -0.03 -0.45 0.00 0.06 0.00 0.00 58.65 58.33 3jrm h GLN 89 Cb 0.68 -0.11 -0.28 0.00 0.30 0.00 0.00 27.48 28.06 3jrm h GLN 89 CO 0.05 0.32 -0.13 1.33 -0.67 0.00 0.00 178.83 179.73 3jrm n VAL 90 N -4.60 2.82 0.09 -0.54 0.24 -0.91 -4.82 118.33 110.62 3jrm n VAL 90 Ca 0.22 -3.37 0.05 0.00 -2.04 0.00 0.00 64.34 59.19 3jrm n VAL 90 Cb 0.71 -0.85 0.48 0.00 -1.47 0.00 0.00 33.84 32.71 3jrm n VAL 90 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 3jrm h LYS 91 N 1.71 0.34 0.00 7.34 2.10 -1.10 -0.95 116.57 126.00 3jrm h LYS 91 Ca 0.38 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 3jrm h LYS 91 Cb 1.43 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 3jrm h LYS 91 CO 0.84 0.26 -0.20 0.66 -2.00 0.00 0.00 179.45 179.01 3jrm n TYR 92 N -4.46 0.06 -3.15 0.07 4.02 -1.26 -3.77 117.16 108.67 3jrm n TYR 92 Ca 0.01 0.02 -0.21 0.00 -0.01 0.00 0.00 57.90 57.71 3jrm n TYR 92 Cb 0.10 -0.44 -0.04 0.00 -0.02 0.00 0.00 39.34 38.95 3jrm n TYR 92 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 3jrm n MET 93 N -1.56 1.38 -1.69 -0.72 2.81 -0.44 -5.13 117.12 111.77 3jrm n MET 93 Ca 0.06 -3.66 -0.31 0.00 -1.81 0.00 0.00 57.70 51.98 3jrm n MET 93 Cb 0.35 -1.75 0.03 0.00 -0.71 0.00 0.00 33.22 31.14 3jrm n MET 93 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3jrm s PRO 94 N -2.45 3.19 -0.33 0.03 0.04 -0.75 -4.91 135.00 129.83 3jrm s PRO 94 Ca 0.41 0.88 -0.29 0.00 0.04 0.00 0.00 61.00 62.04 3jrm s PRO 94 Cb 0.31 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.82 3jrm s PRO 94 CO -0.09 -0.90 1.42 0.71 0.04 0.00 0.00 177.00 178.18 3jrm s TYR 95 N -3.09 2.44 -1.34 0.56 1.51 -1.26 -4.94 117.35 111.23 3jrm s TYR 95 Ca 0.57 0.73 -0.14 0.00 -1.01 0.00 0.00 57.07 57.22 3jrm s TYR 95 Cb -0.13 -4.08 0.10 0.00 -0.11 0.00 0.00 41.96 37.74 3jrm s TYR 95 CO 0.54 -2.08 1.91 -1.33 -1.11 0.00 0.00 175.55 173.48 3jrm n MET 96 N 7.71 3.21 -4.08 -0.62 2.81 -1.26 -4.61 117.12 120.28 3jrm n MET 96 Ca 0.16 -3.18 -0.08 0.00 -1.81 0.00 0.00 57.70 52.79 3jrm n MET 96 Cb 0.47 -3.21 -0.10 0.00 -0.71 0.00 0.00 33.22 29.67 3jrm n MET 96 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3jrm s VAL 97 N 2.48 0.17 -0.10 2.03 -7.23 -1.26 -0.70 120.40 115.79 3jrm s VAL 97 Ca 0.46 -1.75 0.03 0.00 -1.81 0.00 0.00 61.98 58.91 3jrm s VAL 97 Cb 0.08 -1.67 0.01 0.00 0.56 0.00 0.00 36.38 35.36 3jrm s VAL 97 CO -0.01 -0.77 -0.20 -1.10 -0.31 0.00 0.00 175.10 172.70 3jrm s GLN 98 N -3.95 2.67 -0.04 4.82 -0.21 -0.59 -2.95 119.66 119.41 3jrm s GLN 98 Ca 0.12 -0.74 0.07 0.00 0.02 0.00 0.00 55.36 54.83 3jrm s GLN 98 Cb 0.07 -2.09 -0.01 0.00 1.00 0.00 0.00 33.01 31.97 3jrm s GLN 98 CO -0.06 0.09 -0.25 -0.51 -2.12 0.00 0.00 175.29 172.43 3jrm s LEU 99 N 0.57 2.08 -0.13 2.90 1.43 -0.34 -1.94 118.68 123.26 3jrm s LEU 99 Ca -0.15 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.44 3jrm s LEU 99 Cb -0.17 -1.37 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 3jrm s LEU 99 CO 0.05 0.28 -0.03 -0.76 0.23 0.00 0.00 176.35 176.12 3jrm s LEU 100 N -0.35 3.36 -0.17 1.79 1.43 -0.99 -0.65 118.68 123.10 3jrm s LEU 100 Ca 0.02 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 3jrm s LEU 100 Cb -0.12 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.32 3jrm s LEU 100 CO 0.02 0.24 -0.20 -0.69 0.23 0.00 0.00 176.35 175.95 3jrm s VAL 101 N -0.08 2.02 0.03 -1.59 1.01 -0.46 -0.73 120.40 120.60 3jrm s VAL 101 Ca 0.02 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.13 3jrm s VAL 101 Cb -0.13 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3jrm s VAL 101 CO 0.02 0.53 -0.13 -0.83 0.00 0.00 0.00 175.10 174.69 3jrm s GLY 102 N 1.20 0.75 -0.07 4.51 0.00 -0.28 -0.42 107.32 113.01 3jrm s GLY 102 Ca 0.02 -0.79 -0.30 0.00 0.00 0.00 0.00 44.72 43.66 3jrm s GLY 102 CO -0.10 -0.76 1.32 0.61 0.00 0.00 0.00 173.10 174.17 3jrm n GLY 103 N 1.97 0.13 3.28 0.20 0.00 -0.43 -0.66 105.19 109.67 3jrm n GLY 103 Ca -0.18 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 3jrm n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jrm s ILE 104 N -2.01 2.58 0.00 -0.61 -1.09 -0.80 -0.97 121.20 118.31 3jrm s ILE 104 Ca 0.31 -0.82 0.00 0.00 -2.23 0.00 0.00 60.65 57.92 3jrm s ILE 104 Cb -0.00 -2.06 0.00 0.00 -1.58 0.00 0.00 42.46 38.82 3jrm s ILE 104 CO -0.02 0.53 0.00 -0.90 -1.23 0.00 0.00 174.94 173.32 3jrm n ASP 105 N 3.76 0.00 0.14 3.58 5.68 -1.26 -4.79 116.55 123.66 3jrm n ASP 105 Ca -0.19 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.23 3jrm n ASP 105 Cb 0.52 0.00 0.46 0.00 -1.14 0.00 0.00 41.12 40.96 3jrm n ASP 105 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3jrm h THR 106 N 0.00 0.00 -3.66 2.12 1.35 -2.01 -3.46 112.91 107.24 3jrm h THR 106 Ca 0.00 -0.39 -0.06 0.00 -0.55 0.00 0.00 66.41 65.41 3jrm h THR 106 Cb 0.00 1.26 -0.10 0.00 -1.73 0.00 0.00 68.15 67.58 3jrm h THR 106 CO 0.00 0.00 -0.15 0.00 -0.25 0.00 0.00 175.52 175.12 3jrm s ALA 107 N -3.25 -0.27 0.50 6.62 0.00 -1.26 -5.16 121.76 118.95 3jrm s ALA 107 Ca 0.07 -0.80 -0.19 0.00 0.00 0.00 0.00 51.96 51.04 3jrm s ALA 107 Cb 0.10 1.00 -0.08 0.00 0.00 0.00 0.00 23.12 24.15 3jrm s ALA 107 CO 0.50 -0.80 1.02 -1.25 0.00 0.00 0.00 175.76 175.23 3jrm s PRO 108 N -3.99 3.79 -0.08 0.00 0.05 -1.26 -4.38 135.00 129.13 3jrm s PRO 108 Ca 0.20 1.25 -0.15 0.00 0.05 0.00 0.00 61.00 62.35 3jrm s PRO 108 Cb 0.00 -2.10 0.03 0.00 0.05 0.00 0.00 34.50 32.48 3jrm s PRO 108 CO 0.06 -0.42 0.37 -1.01 0.05 0.00 0.00 177.00 176.04 3jrm s HIS 109 N -2.17 -0.33 -0.05 0.56 3.76 -0.15 -4.96 115.29 111.95 3jrm s HIS 109 Ca 0.65 0.71 0.02 0.00 -0.15 0.00 0.00 55.06 56.29 3jrm s HIS 109 Cb -0.14 0.14 0.01 0.00 1.11 0.00 0.00 32.58 33.69 3jrm s HIS 109 CO 0.23 -0.30 -0.10 0.08 -0.85 0.00 0.00 174.74 173.80 3jrm s VAL 110 N -0.52 0.91 0.06 -0.90 1.01 -1.26 -1.32 120.40 118.39 3jrm s VAL 110 Ca -0.06 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.61 3jrm s VAL 110 Cb -0.04 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 3jrm s VAL 110 CO 0.03 0.30 -0.20 -0.36 0.00 0.00 0.00 175.10 174.86 3jrm s PHE 111 N 0.55 1.76 -0.16 5.22 0.40 0.44 -2.15 117.98 124.04 3jrm s PHE 111 Ca -0.10 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 55.86 3jrm s PHE 111 Cb -0.13 -1.03 0.01 0.00 0.51 0.00 0.00 43.02 42.37 3jrm s PHE 111 CO 0.02 0.11 -0.18 0.45 0.70 0.00 0.00 175.22 176.32 3jrm s SER 112 N -1.33 3.36 -0.05 1.36 0.15 -0.58 -1.36 113.70 115.25 3jrm s SER 112 Ca 0.07 -0.56 0.05 0.00 0.70 0.00 0.00 55.95 56.21 3jrm s SER 112 Cb -0.09 -1.51 -0.02 0.00 -1.71 0.00 0.00 66.02 62.69 3jrm s SER 112 CO 0.02 0.06 -0.22 -0.63 1.20 0.00 0.00 173.24 173.67 3jrm s ILE 113 N 0.97 2.38 0.48 6.45 1.09 0.17 -1.67 121.20 131.08 3jrm s ILE 113 Ca -0.03 -0.96 0.07 0.00 -1.10 0.00 0.00 60.65 58.63 3jrm s ILE 113 Cb -0.15 -1.89 0.07 0.00 -1.06 0.00 0.00 42.46 39.43 3jrm s ILE 113 CO -0.04 0.57 0.54 -0.90 -0.10 0.00 0.00 174.94 175.01 3jrm n ASP 114 N 2.73 2.05 0.04 3.58 5.68 -0.03 -1.19 116.55 129.41 3jrm n ASP 114 Ca -0.17 -2.41 0.10 0.00 -0.50 0.00 0.00 54.79 51.81 3jrm n ASP 114 Cb 0.52 -0.23 0.42 0.00 -1.14 0.00 0.00 41.12 40.69 3jrm n ASP 114 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3jrm n ALA 115 N -2.28 1.84 -0.07 2.12 0.00 -1.15 -1.98 120.51 118.99 3jrm n ALA 115 Ca -0.13 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.39 3jrm n ALA 115 Cb 0.51 -1.34 0.24 0.00 0.00 0.00 0.00 19.45 18.86 3jrm n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jrm n ALA 116 N -1.60 2.35 -0.61 0.00 0.00 -1.26 -4.54 120.51 114.86 3jrm n ALA 116 Ca 0.04 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.34 3jrm n ALA 116 Cb 0.24 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3jrm n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jrm n GLY 117 N 1.31 0.75 3.68 0.00 0.00 -0.84 -3.92 105.19 106.18 3jrm n GLY 117 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3jrm n GLY 117 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3jrm s GLY 118 N -1.81 1.91 -0.10 -0.02 0.00 -1.26 -4.48 107.32 101.56 3jrm s GLY 118 Ca 0.00 0.71 0.03 0.00 0.00 0.00 0.00 44.72 45.45 3jrm s GLY 118 CO 0.00 2.41 -0.18 -0.45 0.00 0.00 0.00 173.10 174.88 3jrm s SER 119 N 1.80 2.57 -0.02 1.64 0.15 -1.26 -0.85 113.70 117.73 3jrm s SER 119 Ca 0.60 -0.46 0.03 0.00 0.70 0.00 0.00 55.95 56.82 3jrm s SER 119 Cb -0.27 -1.17 -0.00 0.00 -1.71 0.00 0.00 66.02 62.86 3jrm s SER 119 CO 0.23 0.07 -0.11 -0.69 1.20 0.00 0.00 173.24 173.93 3jrm s VAL 120 N 0.73 0.94 0.32 4.45 1.01 -0.67 -4.97 120.40 122.20 3jrm s VAL 120 Ca -0.12 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 61.24 3jrm s VAL 120 Cb -0.16 -0.80 -0.09 0.00 0.00 0.00 0.00 36.38 35.33 3jrm s VAL 120 CO 0.02 0.27 0.73 -0.70 0.00 0.00 0.00 175.10 175.42 3jrm s GLU 121 N -0.07 3.99 0.13 2.72 2.12 -1.26 -1.53 118.70 124.81 3jrm s GLU 121 Ca 0.01 0.65 -0.24 0.00 0.36 0.00 0.00 54.97 55.75 3jrm s GLU 121 Cb -0.07 -2.44 0.07 0.00 0.26 0.00 0.00 34.13 31.95 3jrm s GLU 121 CO 0.00 0.16 0.63 0.34 -0.54 0.00 0.00 175.26 175.85 3jrm s ASP 122 N -2.29 -0.56 0.29 -1.70 -1.08 -0.91 -4.99 116.67 105.43 3jrm s ASP 122 Ca 0.54 0.05 0.14 0.00 -0.52 0.00 0.00 52.55 52.76 3jrm s ASP 122 Cb -0.10 0.58 0.36 0.00 -1.46 0.00 0.00 42.92 42.30 3jrm s ASP 122 CO 0.18 -0.92 1.59 0.16 0.52 0.00 0.00 175.17 176.69 3jrm h ILE 123 N 2.07 1.15 -3.71 4.11 3.07 -1.95 -3.36 117.51 118.89 3jrm h ILE 123 Ca -0.33 -2.08 -0.08 0.00 1.55 0.00 0.00 64.86 63.93 3jrm h ILE 123 Cb 1.29 2.21 -0.12 0.00 -0.27 0.00 0.00 36.82 39.92 3jrm h ILE 123 CO 0.38 0.54 -0.24 -0.72 -1.05 0.00 0.00 178.15 177.05 3jrm s TYR 124 N -3.36 0.18 -0.08 0.16 -0.85 -1.26 -1.61 117.35 110.53 3jrm s TYR 124 Ca 0.01 -0.55 -0.31 0.00 -0.52 0.00 0.00 57.07 55.70 3jrm s TYR 124 Cb 0.11 0.06 0.09 0.00 0.38 0.00 0.00 41.96 42.59 3jrm s TYR 124 CO 0.74 -0.71 0.78 0.00 -1.52 0.00 0.00 175.55 174.84 3jrm s ALA 125 N -3.91 -1.82 0.05 9.51 0.00 -0.51 -5.02 121.76 120.07 3jrm s ALA 125 Ca 0.11 1.39 0.02 0.00 0.00 0.00 0.00 51.96 53.49 3jrm s ALA 125 Cb 0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 3jrm s ALA 125 CO -0.04 -0.36 -0.07 0.45 0.00 0.00 0.00 175.76 175.73 3jrm s SER 126 N -1.20 0.87 0.08 0.00 0.15 -1.26 -1.09 113.70 111.26 3jrm s SER 126 Ca -0.08 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 55.96 3jrm s SER 126 Cb -0.00 0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.32 3jrm s SER 126 CO 0.07 -0.25 -0.03 0.42 1.20 0.00 0.00 173.24 174.65 3jrm s THR 127 N -1.73 0.40 0.00 6.45 -4.23 -0.37 -4.92 115.64 111.24 3jrm s THR 127 Ca -0.07 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 3jrm s THR 127 Cb -0.08 -1.68 0.00 0.00 1.34 0.00 0.00 72.50 72.08 3jrm s THR 127 CO -0.00 -0.85 0.00 0.61 -0.54 0.00 0.00 174.62 173.83 3jrm n GLY 128 N 0.01 0.74 0.33 3.99 0.00 -1.26 -1.19 105.19 107.81 3jrm n GLY 128 Ca -0.12 -1.96 0.15 0.00 0.00 0.00 0.00 46.02 44.10 3jrm n GLY 128 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3jrm h SER 129 N 0.00 0.00 -0.02 1.61 4.64 -1.57 -0.89 113.55 117.32 3jrm h SER 129 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3jrm h SER 129 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3jrm h SER 129 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3jrm n GLY 130 N -1.57 -0.36 0.26 -0.77 0.00 -0.29 -4.40 105.19 98.05 3jrm n GLY 130 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3jrm n GLY 130 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3jrm h SER 131 N 1.46 0.41 0.00 1.61 4.64 -1.35 -2.33 113.55 117.99 3jrm h SER 131 Ca 0.00 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.19 3jrm h SER 131 Cb 0.31 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3jrm h SER 131 CO 0.00 0.54 -0.11 -0.65 -0.87 0.00 0.00 176.83 175.73 3jrm h PRO 132 N 0.41 0.24 -0.42 4.77 0.11 -1.80 0.37 132.00 135.68 3jrm h PRO 132 Ca 0.08 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.01 3jrm h PRO 132 Cb 0.40 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 3jrm h PRO 132 CO 0.02 0.37 -0.24 0.74 -0.21 0.00 0.00 178.00 178.68 3jrm h PHE 133 N 0.23 1.05 -0.66 0.65 0.04 -1.75 -2.30 116.94 114.20 3jrm h PHE 133 Ca 0.05 -0.27 -0.01 0.00 2.80 0.00 0.00 57.97 60.54 3jrm h PHE 133 Cb 0.35 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 3jrm h PHE 133 CO 0.01 1.07 0.37 0.28 -0.60 0.00 0.00 178.31 179.43 3jrm h VAL 134 N 0.73 1.20 -0.33 -0.55 2.07 -1.24 -2.36 116.25 115.78 3jrm h VAL 134 Ca 0.09 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 3jrm h VAL 134 Cb 0.81 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3jrm h VAL 134 CO 0.07 0.22 0.18 1.88 0.02 0.00 0.00 177.57 179.94 3jrm h TYR 135 N 0.91 0.43 0.72 1.57 0.05 -0.72 0.62 116.97 120.55 3jrm h TYR 135 Ca 0.23 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.98 3jrm h TYR 135 Cb 0.03 -0.14 0.01 0.00 1.01 0.00 0.00 36.73 37.63 3jrm h TYR 135 CO -0.01 0.31 -0.35 0.78 -1.05 0.00 0.00 178.16 177.84 3jrm h GLY 136 N 0.53 -1.02 0.76 3.88 0.00 -0.91 -0.44 103.07 105.86 3jrm h GLY 136 Ca 0.12 0.38 0.03 0.00 0.00 0.00 0.00 47.33 47.86 3jrm h GLY 136 CO -0.02 -0.37 0.09 -2.08 0.00 0.00 0.00 176.54 174.16 3jrm h VAL 137 N -0.98 0.92 -0.50 4.60 2.07 -0.99 -2.41 116.25 118.95 3jrm h VAL 137 Ca -0.10 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 3jrm h VAL 137 Cb 0.75 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3jrm h VAL 137 CO 0.16 0.04 0.19 -0.07 0.02 0.00 0.00 177.57 177.91 3jrm h LEU 138 N 0.22 0.70 -0.79 2.57 3.38 -0.88 0.01 115.31 120.52 3jrm h LEU 138 Ca 0.12 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.00 3jrm h LEU 138 Cb 0.10 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 3jrm h LEU 138 CO -0.13 0.69 0.45 -0.33 0.09 0.00 0.00 178.44 179.21 3jrm h GLU 139 N 0.67 0.75 0.01 1.13 4.39 -0.80 -0.35 114.58 120.39 3jrm h GLU 139 Ca 0.17 -0.05 -0.22 0.00 0.34 0.00 0.00 59.36 59.60 3jrm h GLU 139 Cb 0.22 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3jrm h GLU 139 CO -0.01 0.50 -0.95 1.03 -1.16 0.00 0.00 179.01 178.42 3jrm h SER 140 N 0.77 0.44 0.00 1.42 0.87 -1.07 -3.40 113.55 112.58 3jrm h SER 140 Ca 0.37 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3jrm h SER 140 Cb 0.30 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3jrm h SER 140 CO -0.23 1.17 0.00 0.00 -0.53 0.00 0.00 176.83 177.24 3jrm n GLN 141 N -3.70 5.05 -2.77 2.24 6.02 -0.04 -5.03 117.38 119.15 3jrm n GLN 141 Ca -0.06 -0.12 -0.41 0.00 -0.01 0.00 0.00 57.00 56.40 3jrm n GLN 141 Cb 0.84 -0.62 -0.04 0.00 1.02 0.00 0.00 30.24 31.44 3jrm n GLN 141 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3jrm s TYR 142 N -0.76 3.79 -0.01 1.08 5.04 -0.17 -5.02 117.35 121.30 3jrm s TYR 142 Ca 0.00 1.74 0.07 0.00 -2.44 0.00 0.00 57.07 56.44 3jrm s TYR 142 Cb 0.00 -3.02 -0.02 0.00 0.35 0.00 0.00 41.96 39.27 3jrm s TYR 142 CO 0.00 0.20 -0.22 0.45 -1.34 0.00 0.00 175.55 174.65 3jrm s SER 143 N 0.06 2.56 0.50 4.32 0.15 -1.26 -4.99 113.70 115.04 3jrm s SER 143 Ca 0.46 -0.40 0.20 0.00 0.70 0.00 0.00 55.95 56.91 3jrm s SER 143 Cb -0.23 -0.28 1.27 0.00 -1.71 0.00 0.00 66.02 65.07 3jrm s SER 143 CO 0.29 0.26 2.04 -0.33 1.20 0.00 0.00 173.24 176.70 3jrm h GLU 144 N 5.57 0.10 -0.09 5.44 5.08 -1.97 -2.64 114.58 126.07 3jrm h GLU 144 Ca -0.40 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3jrm h GLU 144 Cb 1.14 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3jrm h GLU 144 CO 0.48 0.06 0.00 1.63 -1.00 0.00 0.00 179.01 180.18 3jrm n LYS 145 N -4.45 1.31 -2.07 2.33 5.02 -1.26 -4.32 118.16 114.73 3jrm n LYS 145 Ca 0.06 -0.47 -0.37 0.00 -2.02 0.00 0.00 58.31 55.52 3jrm n LYS 145 Cb 0.40 -1.28 0.02 0.00 -0.02 0.00 0.00 35.03 34.15 3jrm n LYS 145 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3jrm s MET 146 N -1.89 3.28 0.60 1.97 -1.94 -1.00 -5.03 119.30 115.29 3jrm s MET 146 Ca 0.25 1.87 -0.08 0.00 -1.71 0.00 0.00 55.69 56.02 3jrm s MET 146 Cb 0.12 -2.14 -0.01 0.00 2.01 0.00 0.00 34.83 34.81 3jrm s MET 146 CO 0.19 -0.97 0.96 0.95 -0.01 0.00 0.00 175.02 176.14 3jrm s THR 147 N -1.54 4.16 0.29 2.05 -4.23 -1.26 -4.69 115.64 110.41 3jrm s THR 147 Ca 0.72 0.38 0.01 0.00 -1.18 0.00 0.00 61.69 61.62 3jrm s THR 147 Cb -0.31 -3.66 0.28 0.00 1.34 0.00 0.00 72.50 70.16 3jrm s THR 147 CO 0.36 -0.76 1.88 0.58 -0.54 0.00 0.00 174.62 176.13 3jrm h VAL 148 N -0.24 1.01 -0.58 2.29 2.07 -1.99 0.59 116.25 119.40 3jrm h VAL 148 Ca -0.45 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 66.64 3jrm h VAL 148 Cb 1.23 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3jrm h VAL 148 CO 0.62 0.19 0.08 0.44 0.02 0.00 0.00 177.57 178.92 3jrm h ASP 149 N 1.04 0.91 -0.46 0.57 3.32 -2.00 -0.84 116.42 118.96 3jrm h ASP 149 Ca 0.44 -0.21 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 3jrm h ASP 149 Cb 0.31 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3jrm h ASP 149 CO -0.19 0.93 -0.12 -0.33 -1.72 0.00 0.00 179.24 177.81 3jrm h GLU 150 N 0.90 0.90 0.12 3.56 5.08 -1.69 -2.59 114.58 120.85 3jrm h GLU 150 Ca 0.18 -0.35 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3jrm h GLU 150 Cb 0.42 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3jrm h GLU 150 CO 0.01 0.99 -0.15 0.78 -1.00 0.00 0.00 179.01 179.65 3jrm h GLY 151 N 0.74 -0.29 0.46 -3.84 0.00 -0.55 -0.42 103.07 99.16 3jrm h GLY 151 Ca 0.12 0.17 0.11 0.00 0.00 0.00 0.00 47.33 47.73 3jrm h GLY 151 CO 0.05 -0.15 0.53 -2.08 0.00 0.00 0.00 176.54 174.89 3jrm h VAL 152 N -0.31 0.89 -0.57 4.60 2.07 -1.15 0.39 116.25 122.16 3jrm h VAL 152 Ca 0.01 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 3jrm h VAL 152 Cb 0.31 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 3jrm h VAL 152 CO -0.06 0.16 0.18 0.44 0.02 0.00 0.00 177.57 178.31 3jrm h ASP 153 N 0.85 0.83 -0.40 0.57 3.32 -1.17 -2.15 116.42 118.27 3jrm h ASP 153 Ca 0.45 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3jrm h ASP 153 Cb 0.45 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3jrm h ASP 153 CO -0.27 0.81 0.26 0.25 -1.72 0.00 0.00 179.24 178.57 3jrm h LEU 154 N 0.80 0.47 -0.68 1.55 5.85 0.76 -0.12 115.31 123.94 3jrm h LEU 154 Ca 0.19 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.74 3jrm h LEU 154 Cb 0.27 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3jrm h LEU 154 CO -0.01 0.36 -0.41 -0.37 -0.34 0.00 0.00 178.44 177.67 3jrm h VAL 155 N 0.54 1.30 -0.84 1.05 -1.51 -1.17 -0.12 116.25 115.50 3jrm h VAL 155 Ca 0.15 -1.58 -0.03 0.00 -1.23 0.00 0.00 66.70 64.00 3jrm h VAL 155 Cb -0.04 1.57 -0.04 0.00 -2.13 0.00 0.00 31.29 30.66 3jrm h VAL 155 CO -0.03 0.50 0.39 0.40 -1.23 0.00 0.00 177.57 177.60 3jrm h ILE 156 N 0.44 1.26 0.19 7.19 2.04 -0.93 0.22 117.51 127.92 3jrm h ILE 156 Ca 0.04 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 3jrm h ILE 156 Cb 0.91 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3jrm h ILE 156 CO 0.08 0.32 -0.09 0.03 0.00 0.00 0.00 178.15 178.49 3jrm h ARG 157 N 1.20 -0.24 -0.31 2.37 3.08 -0.57 -1.37 114.38 118.53 3jrm h ARG 157 Ca 0.29 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.42 3jrm h ARG 157 Cb 0.14 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.17 3jrm h ARG 157 CO -0.03 0.01 -0.15 0.00 -1.07 0.00 0.00 179.97 178.72 3jrm h ALA 158 N 0.29 0.09 -0.23 0.04 0.00 -0.77 -0.04 119.26 118.65 3jrm h ALA 158 Ca -0.03 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3jrm h ALA 158 Cb 0.36 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3jrm h ALA 158 CO 0.04 -0.54 -0.20 0.82 0.00 0.00 0.00 179.25 179.37 3jrm h ILE 159 N -0.11 1.24 -0.55 0.00 2.04 -0.95 -1.64 117.51 117.55 3jrm h ILE 159 Ca 0.16 -1.11 -0.08 0.00 1.00 0.00 0.00 64.86 64.82 3jrm h ILE 159 Cb 0.35 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3jrm h ILE 159 CO -0.38 0.35 0.00 0.28 0.00 0.00 0.00 178.15 178.40 3jrm h SER 160 N 0.37 0.91 -0.08 1.72 0.02 -0.32 0.97 113.55 117.13 3jrm h SER 160 Ca 0.06 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3jrm h SER 160 Cb 0.56 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 3jrm h SER 160 CO 0.04 0.96 0.04 0.00 -1.14 0.00 0.00 176.83 176.73 3jrm h ALA 161 N 1.13 0.11 -0.64 3.77 0.00 -0.69 -2.39 119.26 120.55 3jrm h ALA 161 Ca 0.16 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3jrm h ALA 161 Cb 0.51 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3jrm h ALA 161 CO 0.02 -0.32 0.40 0.00 0.00 0.00 0.00 179.25 179.35 3jrm h ALA 162 N 0.89 0.84 -0.66 0.00 0.00 -0.92 -1.43 119.26 117.97 3jrm h ALA 162 Ca 0.03 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3jrm h ALA 162 Cb 0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3jrm h ALA 162 CO -0.00 0.15 0.44 0.87 0.00 0.00 0.00 179.25 180.70 3jrm h LYS 163 N 0.78 0.68 0.00 0.00 1.57 -0.72 -0.14 116.57 118.74 3jrm h LYS 163 Ca 0.26 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 3jrm h LYS 163 Cb 0.02 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 3jrm h LYS 163 CO -0.10 0.45 -0.04 1.96 -0.57 0.00 0.00 179.45 181.14 3jrm h GLN 164 N 0.70 0.00 0.00 3.15 1.08 -0.73 -3.34 115.11 115.97 3jrm h GLN 164 Ca 0.28 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.48 3jrm h GLN 164 Cb 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 3jrm h GLN 164 CO -0.09 0.04 0.00 0.54 -0.95 0.00 0.00 178.83 178.38 3jrm n ARG 165 N -3.17 1.05 -3.94 1.46 5.12 -0.68 -4.97 116.66 111.54 3jrm n ARG 165 Ca 0.00 -0.23 -0.29 0.00 -1.93 0.00 0.00 57.85 55.40 3jrm n ARG 165 Cb 0.31 -0.68 -0.16 0.00 -1.16 0.00 0.00 32.46 30.76 3jrm n ARG 165 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3jrm s ASP 166 N -0.22 3.11 0.21 0.55 2.15 -0.15 -4.98 116.67 117.33 3jrm s ASP 166 Ca 0.00 -0.78 0.25 0.00 0.43 0.00 0.00 52.55 52.46 3jrm s ASP 166 Cb 0.00 -1.06 0.88 0.00 -0.30 0.00 0.00 42.92 42.44 3jrm s ASP 166 CO 0.00 -0.17 1.76 -1.54 -0.17 0.00 0.00 175.17 175.05 3jrm n SER 167 N 4.79 0.71 -0.01 -0.34 3.41 -1.26 -1.70 113.62 119.22 3jrm n SER 167 Ca -0.13 0.59 0.14 0.00 -0.26 0.00 0.00 58.87 59.22 3jrm n SER 167 Cb 0.47 -0.78 0.68 0.00 -0.26 0.00 0.00 64.21 64.32 3jrm n SER 167 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jrm n ALA 168 N -1.76 2.49 -2.63 7.33 0.00 -1.26 -4.78 120.51 119.91 3jrm n ALA 168 Ca 0.05 -0.15 -0.32 0.00 0.00 0.00 0.00 53.44 53.02 3jrm n ALA 168 Cb 0.37 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.26 3jrm n ALA 168 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3jrm s SER 169 N -2.74 4.79 0.00 0.00 0.01 -0.69 -1.67 113.70 113.40 3jrm s SER 169 Ca 0.23 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.38 3jrm s SER 169 Cb 0.20 -1.16 0.00 0.00 0.21 0.00 0.00 66.02 65.27 3jrm s SER 169 CO 0.50 0.28 0.00 0.61 0.41 0.00 0.00 173.24 175.04 3jrm n GLY 170 N 1.47 -0.07 0.47 3.44 0.00 -1.26 -4.76 105.19 104.48 3jrm n GLY 170 Ca -0.15 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3jrm n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jrm n GLY 171 N -0.33 -2.95 3.77 -0.02 0.00 -1.26 -1.55 105.19 102.84 3jrm n GLY 171 Ca 0.00 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 3jrm n GLY 171 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3jrm s MET 172 N -0.51 4.23 0.25 1.61 1.75 -1.26 -4.64 119.30 120.73 3jrm s MET 172 Ca 0.00 2.39 -0.29 0.00 -1.25 0.00 0.00 55.69 56.54 3jrm s MET 172 Cb 0.00 -3.03 -0.09 0.00 2.84 0.00 0.00 34.83 34.55 3jrm s MET 172 CO 0.00 -0.38 0.93 0.42 -0.65 0.00 0.00 175.02 175.34 3jrm s ILE 173 N -0.93 4.10 -0.13 10.11 1.01 -1.26 -3.84 121.20 130.27 3jrm s ILE 173 Ca 0.52 2.04 -0.00 0.00 0.00 0.00 0.00 60.65 63.21 3jrm s ILE 173 Cb -0.43 -4.28 0.03 0.00 0.01 0.00 0.00 42.46 37.79 3jrm s ILE 173 CO 0.55 0.45 -0.07 -0.62 0.00 0.00 0.00 174.94 175.26 3jrm s ASP 174 N -1.24 2.33 -0.03 3.58 3.68 -0.62 -4.99 116.67 119.39 3jrm s ASP 174 Ca 0.42 -0.38 0.04 0.00 2.13 0.00 0.00 52.55 54.76 3jrm s ASP 174 Cb -0.25 -0.86 -0.01 0.00 -1.45 0.00 0.00 42.92 40.35 3jrm s ASP 174 CO 0.31 -0.13 -0.16 -0.69 0.13 0.00 0.00 175.17 174.62 3jrm s VAL 175 N 1.69 1.33 -0.04 1.11 1.01 -1.26 -1.81 120.40 122.43 3jrm s VAL 175 Ca 0.04 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.38 3jrm s VAL 175 Cb -0.13 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 3jrm s VAL 175 CO -0.08 0.38 -0.18 0.00 0.00 0.00 0.00 175.10 175.22 3jrm s ALA 176 N -0.11 1.55 -0.09 5.51 0.00 -0.02 -0.78 121.76 127.81 3jrm s ALA 176 Ca 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.25 3jrm s ALA 176 Cb -0.09 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 3jrm s ALA 176 CO 0.01 0.31 -0.16 0.08 0.00 0.00 0.00 175.76 176.00 3jrm s VAL 177 N -0.10 2.86 -0.21 0.00 1.01 0.13 -1.24 120.40 122.86 3jrm s VAL 177 Ca -0.01 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.23 3jrm s VAL 177 Cb -0.10 -2.15 0.04 0.00 0.00 0.00 0.00 36.38 34.17 3jrm s VAL 177 CO 0.01 0.55 -0.12 -0.63 0.00 0.00 0.00 175.10 174.92 3jrm s ILE 178 N -0.04 1.82 0.12 2.22 1.01 0.11 -0.72 121.20 125.71 3jrm s ILE 178 Ca -0.04 -1.14 0.06 0.00 0.00 0.00 0.00 60.65 59.53 3jrm s ILE 178 Cb -0.14 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 3jrm s ILE 178 CO 0.04 0.18 -0.13 0.42 0.00 0.00 0.00 174.94 175.44 3jrm s THR 179 N 1.32 1.29 0.21 2.92 -4.23 -0.84 -1.87 115.64 114.44 3jrm s THR 179 Ca -0.02 -1.72 -0.09 0.00 -1.18 0.00 0.00 61.69 58.67 3jrm s THR 179 Cb -0.17 -1.52 0.15 0.00 1.34 0.00 0.00 72.50 72.30 3jrm s THR 179 CO -0.08 -0.44 1.84 -0.09 -0.54 0.00 0.00 174.62 175.31 3jrm h ARG 180 N 3.49 0.83 0.17 3.99 9.65 -1.88 0.32 114.38 130.96 3jrm h ARG 180 Ca -0.39 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.43 3jrm h ARG 180 Cb 1.20 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.59 3jrm h ARG 180 CO 0.51 0.55 -0.08 -0.22 2.80 0.00 0.00 179.97 183.53 3jrm h LYS 181 N 0.85 -0.22 -0.04 0.20 3.64 -1.96 -3.34 116.57 115.71 3jrm h LYS 181 Ca 0.29 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3jrm h LYS 181 Cb 0.06 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3jrm h LYS 181 CO -0.12 -0.06 0.00 -0.25 -2.27 0.00 0.00 179.45 176.75 3jrm n ASP 182 N -5.14 1.95 0.00 4.20 8.00 -1.23 -5.11 116.55 119.23 3jrm n ASP 182 Ca -0.09 -1.48 0.00 0.00 0.71 0.00 0.00 54.79 53.93 3jrm n ASP 182 Cb 0.15 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 3jrm n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jrm n GLY 183 N 0.58 -0.00 3.58 0.44 0.00 0.11 -4.53 105.19 105.38 3jrm n GLY 183 Ca 0.07 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 3jrm n GLY 183 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3jrm s TYR 184 N 0.00 2.75 -0.18 1.61 6.14 -1.20 -1.99 117.35 124.48 3jrm s TYR 184 Ca 0.00 0.53 -0.02 0.00 0.64 0.00 0.00 57.07 58.21 3jrm s TYR 184 Cb 0.00 -4.39 -0.01 0.00 0.42 0.00 0.00 41.96 37.98 3jrm s TYR 184 CO 0.00 -1.37 -0.08 0.08 0.64 0.00 0.00 175.55 174.82 3jrm s VAL 185 N 4.52 3.18 -0.30 3.14 1.01 0.10 -4.99 120.40 127.05 3jrm s VAL 185 Ca 0.44 -0.58 -0.23 0.00 0.00 0.00 0.00 61.98 61.60 3jrm s VAL 185 Cb -0.08 -2.40 -0.00 0.00 0.00 0.00 0.00 36.38 33.90 3jrm s VAL 185 CO 0.28 0.47 0.79 -1.58 0.00 0.00 0.00 175.10 175.06 3jrm s GLN 186 N 1.04 3.98 0.47 2.72 0.74 -1.26 -0.69 119.66 126.66 3jrm s GLN 186 Ca -0.00 0.61 -0.24 0.00 0.05 0.00 0.00 55.36 55.78 3jrm s GLN 186 Cb -0.15 -3.72 -0.08 0.00 1.10 0.00 0.00 33.01 30.16 3jrm s GLN 186 CO -0.01 -0.66 1.28 1.28 -0.55 0.00 0.00 175.29 176.63 3jrm n LEU 187 N 6.18 4.47 -4.81 3.68 4.77 0.04 -4.97 117.00 126.36 3jrm n LEU 187 Ca 0.04 1.05 -0.32 0.00 -0.03 0.00 0.00 56.01 56.75 3jrm n LEU 187 Cb 0.48 -1.52 0.02 0.00 -2.33 0.00 0.00 43.42 40.07 3jrm n LEU 187 CO 0.50 -0.70 0.71 -2.84 -1.33 0.00 0.00 177.39 173.74 3jrm s PRO 188 N -2.45 3.21 0.19 3.23 0.02 -1.26 -4.71 135.00 133.23 3jrm s PRO 188 Ca 0.65 1.12 -0.12 0.00 0.02 0.00 0.00 61.00 62.67 3jrm s PRO 188 Cb -0.47 -2.02 0.10 0.00 0.02 0.00 0.00 34.50 32.13 3jrm s PRO 188 CO 0.55 -0.89 1.82 1.15 -0.33 0.00 0.00 177.00 179.30 3jrm h THR 189 N 0.10 1.19 -0.71 0.99 2.02 -1.95 -2.59 112.91 111.95 3jrm h THR 189 Ca -0.46 -0.43 0.14 0.00 0.77 0.00 0.00 66.41 66.43 3jrm h THR 189 Cb 1.22 0.33 -0.13 0.00 -1.74 0.00 0.00 68.15 67.82 3jrm h THR 189 CO 0.57 0.20 -0.22 0.44 0.37 0.00 0.00 175.52 176.88 3jrm h ASP 190 N 0.86 -0.78 -0.44 4.18 5.19 -1.99 -1.19 116.42 122.24 3jrm h ASP 190 Ca 0.23 0.22 -0.10 0.00 -0.62 0.00 0.00 57.03 56.76 3jrm h ASP 190 Cb -0.01 0.48 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 3jrm h ASP 190 CO -0.04 -0.25 -0.12 -0.61 -3.12 0.00 0.00 179.24 175.10 3jrm h GLN 191 N -0.03 0.86 0.20 3.56 4.15 -1.87 0.32 115.11 122.31 3jrm h GLN 191 Ca 0.33 -0.33 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 3jrm h GLN 191 Cb 0.54 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.18 3jrm h GLN 191 CO -0.74 0.97 -0.10 0.82 -1.93 0.00 0.00 178.83 177.85 3jrm h ILE 192 N 0.70 0.88 -0.66 2.39 2.04 -1.17 -2.17 117.51 119.51 3jrm h ILE 192 Ca 0.11 -0.41 0.13 0.00 1.00 0.00 0.00 64.86 65.68 3jrm h ILE 192 Cb 0.66 1.12 -0.09 0.00 -0.74 0.00 0.00 36.82 37.77 3jrm h ILE 192 CO 0.05 0.09 0.18 -0.33 0.00 0.00 0.00 178.15 178.14 3jrm h GLU 193 N -0.47 0.31 -0.38 2.37 5.08 -1.16 -0.76 114.58 119.57 3jrm h GLU 193 Ca -0.03 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.39 3jrm h GLU 193 Cb 0.36 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.47 3jrm h GLU 193 CO 0.05 0.20 -0.05 1.03 -1.00 0.00 0.00 179.01 179.24 3jrm h SER 194 N 0.32 -0.26 0.34 1.42 0.87 -0.72 -1.59 113.55 113.93 3jrm h SER 194 Ca 0.35 0.10 -0.08 0.00 -1.23 0.00 0.00 61.79 60.93 3jrm h SER 194 Cb 0.53 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 3jrm h SER 194 CO -0.41 -0.09 -0.38 0.03 -0.53 0.00 0.00 176.83 175.45 3jrm h ARG 195 N 0.04 0.05 -0.62 2.24 3.08 -0.64 -1.01 114.38 117.53 3jrm h ARG 195 Ca 0.18 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 3jrm h ARG 195 Cb 0.27 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 3jrm h ARG 195 CO -0.35 0.42 0.38 0.82 -1.07 0.00 0.00 179.97 180.17 3jrm h ILE 196 N 0.04 1.18 0.54 2.04 2.04 -0.37 0.12 117.51 123.09 3jrm h ILE 196 Ca 0.00 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 3jrm h ILE 196 Cb 0.69 0.32 0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3jrm h ILE 196 CO 0.05 0.18 -0.26 0.03 0.00 0.00 0.00 178.15 178.15 3jrm h ARG 197 N 0.83 -0.70 -0.88 2.37 3.08 -0.92 -1.28 114.38 116.88 3jrm h ARG 197 Ca 0.22 0.05 0.16 0.00 0.07 0.00 0.00 59.98 60.48 3jrm h ARG 197 Cb -0.04 0.16 -0.07 0.00 0.08 0.00 0.00 29.97 30.10 3jrm h ARG 197 CO -0.04 -0.41 0.57 -0.22 -1.07 0.00 0.00 179.97 178.80 3jrm h LYS 198 N -0.87 0.58 0.00 0.04 3.64 -1.09 0.22 116.57 119.08 3jrm h LYS 198 Ca -0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3jrm h LYS 198 Cb 0.61 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3jrm h LYS 198 CO 0.12 0.38 -0.19 1.28 -2.27 0.00 0.00 179.45 178.77 3jrm n LEU 199 N -4.55 0.28 -2.07 5.20 4.77 0.02 -5.00 117.00 115.65 3jrm n LEU 199 Ca 0.18 0.34 -0.01 0.00 -0.03 0.00 0.00 56.01 56.49 3jrm n LEU 199 Cb 0.54 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3jrm n LEU 199 CO 0.30 0.01 0.09 0.61 -1.33 0.00 0.00 177.39 177.06 3jrm n GLY 200 N 1.47 -0.78 0.00 -0.72 0.00 0.76 -5.07 105.19 100.85 3jrm n GLY 200 Ca 0.06 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3jrm n GLY 200 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3jrm n LEU 201 N -0.92 0.00 0.00 0.99 4.77 -0.85 -5.03 117.00 115.97 3jrm n LEU 201 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3jrm n LEU 201 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3jrm n LEU 201 CO 0.20 0.00 0.00 -0.38 -1.33 0.00 0.00 177.39 175.88 3jrm n ILE 202 N 0.00 0.00 0.00 -0.08 5.41 -1.26 -4.93 119.36 118.50 3jrm n ILE 202 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3jrm n ILE 202 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 3jrm n ILE 202 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44