#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 0.56 0.14 12.58 2.01 -1.26 -1.19 115.64 128.48 3jrm s THR 2 Ca 0.00 -0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.06 3jrm s THR 2 Cb 0.00 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 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 1.72 1.76 -0.02 -0.82 -4.23 -0.20 -2.37 115.64 111.47 3jrm s THR 3 Ca 0.02 -1.78 -0.06 0.00 -1.18 0.00 0.00 61.69 58.69 3jrm s THR 3 Cb -0.13 -1.73 0.01 0.00 1.34 0.00 0.00 72.50 71.99 3jrm s THR 3 CO -0.05 -0.23 0.14 0.54 -0.54 0.00 0.00 174.62 174.48 3jrm s VAL 4 N -1.75 0.05 -0.03 2.29 0.11 0.12 -1.47 120.40 119.71 3jrm s VAL 4 Ca 0.12 -0.41 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 3jrm s VAL 4 Cb -0.07 -0.34 0.03 0.00 -1.53 0.00 0.00 36.38 34.46 3jrm s VAL 4 CO 0.06 -0.22 -0.00 -0.83 -3.33 0.00 0.00 175.10 170.77 3jrm s GLY 5 N -0.77 0.28 0.18 6.54 0.00 -0.16 -1.21 107.32 112.18 3jrm s GLY 5 Ca -0.09 0.12 0.08 0.00 0.00 0.00 0.00 44.72 44.84 3jrm s GLY 5 CO 0.01 0.62 -0.17 -0.26 0.00 0.00 0.00 173.10 173.31 3jrm s ILE 6 N 1.08 1.79 0.03 0.90 -4.36 -0.09 -1.37 121.20 119.17 3jrm s ILE 6 Ca -0.09 -2.05 0.08 0.00 -0.26 0.00 0.00 60.65 58.33 3jrm s ILE 6 Cb -0.14 -1.92 -0.03 0.00 1.25 0.00 0.00 42.46 41.62 3jrm s ILE 6 CO -0.02 -0.44 -0.22 0.42 0.24 0.00 0.00 174.94 174.93 3jrm s THR 7 N -2.44 2.50 0.14 8.37 -4.23 -0.29 -1.79 115.64 117.89 3jrm s THR 7 Ca 0.19 -1.21 0.01 0.00 -1.18 0.00 0.00 61.69 59.49 3jrm s THR 7 Cb -0.04 -2.00 -0.00 0.00 1.34 0.00 0.00 72.50 71.80 3jrm s THR 7 CO 0.07 0.40 0.03 0.18 -0.54 0.00 0.00 174.62 174.76 3jrm n LEU 8 N 1.80 0.00 -0.23 4.79 4.77 -0.67 -4.91 117.00 122.55 3jrm n LEU 8 Ca -0.16 -0.97 -0.06 0.00 -0.03 0.00 0.00 56.01 54.79 3jrm n LEU 8 Cb 0.52 0.24 0.04 0.00 -2.33 0.00 0.00 43.42 41.90 3jrm n LEU 8 CO 0.25 -0.15 1.14 0.11 -1.33 0.00 0.00 177.39 177.41 3jrm h LYS 9 N 0.00 0.85 -0.12 3.23 1.57 -1.84 -3.22 116.57 117.04 3jrm h LYS 9 Ca -0.11 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.45 3jrm h LYS 9 Cb 0.38 -0.19 -0.28 0.00 0.08 0.00 0.00 32.23 32.22 3jrm h LYS 9 CO 0.18 0.57 -0.88 -0.25 -0.57 0.00 0.00 179.45 178.50 3jrm n ASP 10 N -4.63 1.61 -3.73 0.86 10.43 -1.26 -4.71 116.55 115.12 3jrm n ASP 10 Ca 0.05 -2.69 -0.10 0.00 2.57 0.00 0.00 54.79 54.62 3jrm n ASP 10 Cb 0.02 -0.39 -0.06 0.00 1.84 0.00 0.00 41.12 42.53 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 -1.76 -0.66 -0.05 2.24 0.00 -1.22 -4.48 121.76 115.83 3jrm s ALA 11 Ca 0.36 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.15 3jrm s ALA 11 Cb 0.38 0.53 0.01 0.00 0.00 0.00 0.00 23.12 24.03 3jrm s ALA 11 CO -0.11 -0.54 -0.11 0.08 0.00 0.00 0.00 175.76 175.08 3jrm s VAL 12 N -3.47 1.00 -0.09 0.00 1.01 -0.75 -1.67 120.40 116.44 3jrm s VAL 12 Ca 0.01 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.59 3jrm s VAL 12 Cb 0.02 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 3jrm s VAL 12 CO -0.09 0.32 -0.16 -0.63 0.00 0.00 0.00 175.10 174.53 3jrm s ILE 13 N 0.51 2.82 -0.02 2.22 1.01 -0.74 -0.09 121.20 126.90 3jrm s ILE 13 Ca -0.10 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.80 3jrm s ILE 13 Cb -0.13 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.21 3jrm s ILE 13 CO 0.02 0.56 -0.09 -0.04 0.00 0.00 0.00 174.94 175.39 3jrm s MET 14 N -0.09 0.90 0.05 2.79 -1.94 -0.50 -0.92 119.30 119.60 3jrm s MET 14 Ca -0.03 -0.30 -0.09 0.00 -1.71 0.00 0.00 55.69 53.56 3jrm s MET 14 Cb -0.14 -0.85 0.00 0.00 2.01 0.00 0.00 34.83 35.86 3jrm s MET 14 CO 0.04 0.12 0.20 0.00 -0.01 0.00 0.00 175.02 175.36 3jrm s ALA 15 N 0.14 -0.34 0.24 3.03 0.00 -0.35 -0.84 121.76 123.64 3jrm s ALA 15 Ca -0.02 -0.34 -0.05 0.00 0.00 0.00 0.00 51.96 51.55 3jrm s ALA 15 Cb -0.08 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 3jrm s ALA 15 CO 0.00 -0.39 0.31 0.95 0.00 0.00 0.00 175.76 176.63 3jrm s THR 16 N -2.82 0.00 0.18 0.00 -4.23 -0.67 -0.70 115.64 107.40 3jrm s THR 16 Ca -0.03 -1.73 0.02 0.00 -1.18 0.00 0.00 61.69 58.76 3jrm s THR 16 Cb 0.00 -2.41 0.02 0.00 1.34 0.00 0.00 72.50 71.45 3jrm s THR 16 CO -0.05 0.00 0.13 -1.84 -0.54 0.00 0.00 174.62 172.32 3jrm n GLU 17 N -0.37 1.24 -0.11 3.99 -0.00 -1.00 -1.39 120.64 123.00 3jrm n GLU 17 Ca 0.01 -1.13 0.02 0.00 -0.00 0.00 0.00 57.16 56.06 3jrm n GLU 17 Cb 0.64 0.13 0.03 0.00 -0.00 0.00 0.00 31.44 32.24 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 -0.91 1.24 -2.82 3.44 1.74 -0.79 -4.60 116.66 113.96 3jrm n ARG 18 Ca -0.01 -1.37 -0.40 0.00 -0.77 0.00 0.00 57.85 55.30 3jrm n ARG 18 Cb 0.20 -0.88 -0.06 0.00 -1.02 0.00 0.00 32.46 30.71 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 -0.95 4.76 -0.16 5.56 3.52 -0.39 -0.67 118.95 130.62 3jrm s ARG 19 Ca 0.07 1.38 0.00 0.00 -0.13 0.00 0.00 55.73 57.06 3jrm s ARG 19 Cb 0.06 -3.28 0.03 0.00 -1.56 0.00 0.00 34.95 30.20 3jrm s ARG 19 CO 0.01 0.51 -0.11 0.08 -0.81 0.00 0.00 175.30 174.97 3jrm s VAL 20 N -1.06 1.46 0.10 7.11 1.01 0.59 -4.77 120.40 124.85 3jrm s VAL 20 Ca 0.40 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.77 3jrm s VAL 20 Cb -0.25 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 3jrm s VAL 20 CO 0.30 0.32 -0.19 0.42 0.00 0.00 0.00 175.10 175.94 3jrm s THR 21 N 1.51 2.75 -0.55 3.92 -4.23 -1.26 -1.68 115.64 116.10 3jrm s THR 21 Ca 0.03 -1.48 -0.04 0.00 -1.18 0.00 0.00 61.69 59.02 3jrm s THR 21 Cb -0.14 -2.24 0.14 0.00 1.34 0.00 0.00 72.50 71.60 3jrm s THR 21 CO -0.09 0.15 0.37 -0.32 -0.54 0.00 0.00 174.62 174.19 3jrm s MET 22 N -1.99 2.44 7.28 3.99 -2.45 -0.66 -4.92 119.30 122.99 3jrm s MET 22 Ca 0.17 -2.20 0.00 0.00 -1.25 0.00 0.00 55.69 52.41 3jrm s MET 22 Cb -0.10 -3.76 0.00 0.00 1.25 0.00 0.00 34.83 32.22 3jrm s MET 22 CO 0.09 -1.15 0.00 -1.91 1.05 0.00 0.00 175.02 173.09 3jrm n GLU 23 N 4.06 0.00 0.00 4.11 4.07 -1.26 -2.30 120.64 129.32 3jrm n GLU 23 Ca 0.03 0.00 0.14 0.00 -0.06 0.00 0.00 57.16 57.26 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 6.97 0.20 -4.53 4.31 0.23 -1.26 -4.84 115.26 116.34 3jrm n ASN 24 Ca 0.00 0.09 -0.43 0.00 -0.53 0.00 0.00 54.58 53.71 3jrm n ASN 24 Cb 0.00 -0.23 -0.04 0.00 -2.08 0.00 0.00 39.78 37.43 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 -2.87 2.77 -0.80 -2.53 2.19 -0.97 -4.99 117.98 110.78 3jrm s PHE 25 Ca 0.17 0.03 -0.25 0.00 0.33 0.00 0.00 56.93 57.20 3jrm s PHE 25 Cb 0.19 -4.12 -0.01 0.00 -1.31 0.00 0.00 43.02 37.77 3jrm s PHE 25 CO 0.55 -1.38 1.74 0.42 1.83 0.00 0.00 175.22 178.38 3jrm s ILE 26 N 4.05 3.53 0.04 3.12 1.01 -1.26 -1.65 121.20 130.04 3jrm s ILE 26 Ca 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.81 3jrm s ILE 26 Cb -0.12 -4.29 -0.28 0.00 0.01 0.00 0.00 42.46 37.78 3jrm s ILE 26 CO 0.20 -1.24 1.00 0.24 0.00 0.00 0.00 174.94 175.15 3jrm h MET 27 N 12.09 0.25 -3.81 2.79 2.86 -1.68 -3.45 114.93 123.98 3jrm h MET 27 Ca -0.06 -0.42 -0.36 0.00 -2.06 0.00 0.00 59.70 56.80 3jrm h MET 27 Cb 1.07 0.16 -0.34 0.00 0.06 0.00 0.00 31.60 32.55 3jrm h MET 27 CO 1.26 1.15 -0.75 -1.01 1.06 0.00 0.00 176.91 178.61 3jrm s HIS 28 N -2.64 0.41 -0.46 -0.22 3.76 -0.95 -5.02 115.29 110.17 3jrm s HIS 28 Ca -0.06 -0.05 0.23 0.00 -0.15 0.00 0.00 55.06 55.03 3jrm s HIS 28 Cb 0.07 -0.46 0.19 0.00 1.11 0.00 0.00 32.58 33.49 3jrm s HIS 28 CO 0.87 -0.14 1.20 0.87 -0.85 0.00 0.00 174.74 176.70 3jrm h LYS 29 N 7.17 0.00 -2.10 1.40 1.57 -1.86 0.17 116.57 122.93 3jrm h LYS 29 Ca -0.41 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.82 3jrm h LYS 29 Cb 1.14 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.04 3jrm h LYS 29 CO 0.48 0.00 -0.95 0.09 -0.57 0.00 0.00 179.45 178.49 3jrm n ASN 30 N -2.39 1.98 -4.91 0.86 3.02 -1.21 -4.13 115.26 108.48 3jrm n ASN 30 Ca 0.02 -3.16 -0.28 0.00 -0.03 0.00 0.00 54.58 51.13 3jrm n ASN 30 Cb 0.49 -0.62 0.08 0.00 -0.61 0.00 0.00 39.78 39.12 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 -2.38 1.63 -0.12 7.41 0.00 0.16 -5.04 107.32 108.97 3jrm s GLY 31 Ca 0.41 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 44.39 3jrm s GLY 31 CO -0.09 -0.30 -0.14 1.25 0.00 0.00 0.00 173.10 173.82 3jrm s LYS 32 N -5.42 3.28 0.00 2.90 2.20 -1.26 -4.56 119.74 116.87 3jrm s LYS 32 Ca 0.61 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 55.52 3jrm s LYS 32 Cb -0.11 -2.58 0.00 0.00 -1.51 0.00 0.00 37.83 33.63 3jrm s LYS 32 CO 0.47 0.25 0.29 1.63 -0.36 0.00 0.00 175.35 177.63 3jrm n LYS 33 N 3.40 -0.18 -4.59 4.03 5.02 -1.26 -4.98 118.16 119.61 3jrm n LYS 33 Ca -0.18 -0.29 -0.30 0.00 -2.02 0.00 0.00 58.31 55.52 3jrm n LYS 33 Cb 0.53 -0.77 -0.17 0.00 -0.02 0.00 0.00 35.03 34.60 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 -0.11 1.86 0.00 -0.35 2.96 -1.26 -1.31 118.68 120.46 3jrm s LEU 34 Ca 0.00 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.44 3jrm s LEU 34 Cb 0.00 -1.21 -0.01 0.00 0.50 0.00 0.00 46.19 45.48 3jrm s LEU 34 CO 0.00 0.05 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.66 3jrm s PHE 35 N 0.87 0.53 0.05 5.38 0.08 -0.04 -5.00 117.98 119.85 3jrm s PHE 35 Ca -0.08 -0.15 -0.30 0.00 0.12 0.00 0.00 56.93 56.52 3jrm s PHE 35 Cb -0.15 -0.34 -0.04 0.00 -0.57 0.00 0.00 43.02 41.91 3jrm s PHE 35 CO -0.01 -0.02 0.96 -1.14 -0.10 0.00 0.00 175.22 174.92 3jrm s GLN 36 N -0.32 4.63 0.00 0.44 0.74 -1.26 -0.81 119.66 123.07 3jrm s GLN 36 Ca 0.01 1.42 0.00 0.00 0.05 0.00 0.00 55.36 56.84 3jrm s GLN 36 Cb -0.03 -3.42 0.00 0.00 1.10 0.00 0.00 33.01 30.66 3jrm s GLN 36 CO -0.00 0.09 0.25 0.44 -0.55 0.00 0.00 175.29 175.52 3jrm n ILE 37 N 3.32 0.00 -3.80 -2.34 -5.35 -0.30 -4.94 119.36 105.96 3jrm n ILE 37 Ca 0.04 -0.46 -0.07 0.00 -0.27 0.00 0.00 62.75 61.99 3jrm n ILE 37 Cb 0.50 1.05 0.03 0.00 -1.74 0.00 0.00 39.64 39.48 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 -0.41 -2.11 -0.05 7.28 -0.08 -1.07 -4.56 116.55 115.56 3jrm n ASP 38 Ca 0.00 -2.38 -0.09 0.00 -1.51 0.00 0.00 54.79 50.81 3jrm n ASP 38 Cb 0.01 3.49 -0.02 0.00 2.34 0.00 0.00 41.12 46.94 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 1.96 0.92 -0.48 5.18 2.02 -1.98 -3.05 112.91 117.48 3jrm h THR 39 Ca -0.31 -0.05 -0.34 0.00 0.77 0.00 0.00 66.41 66.47 3jrm h THR 39 Cb 1.20 0.75 -0.25 0.00 -1.74 0.00 0.00 68.15 68.11 3jrm h THR 39 CO 0.40 0.03 -0.57 -1.22 0.37 0.00 0.00 175.52 174.53 3jrm n TYR 40 N -5.06 1.71 -4.14 3.16 4.01 -1.26 -3.18 117.16 112.40 3jrm n TYR 40 Ca -0.02 -1.96 -0.17 0.00 -0.16 0.00 0.00 57.90 55.59 3jrm n TYR 40 Cb 0.09 -0.38 -0.15 0.00 -0.31 0.00 0.00 39.34 38.59 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 -4.04 0.41 0.16 -0.72 2.01 -1.16 -1.82 115.64 110.49 3jrm s THR 41 Ca 0.47 -0.17 0.06 0.00 0.31 0.00 0.00 61.69 62.36 3jrm s THR 41 Cb 0.40 -0.39 -0.04 0.00 0.01 0.00 0.00 72.50 72.48 3jrm s THR 41 CO -0.00 0.14 -0.13 -0.83 -0.69 0.00 0.00 174.62 173.12 3jrm s GLY 42 N 0.23 1.18 -0.01 4.40 0.00 0.23 -1.15 107.32 112.20 3jrm s GLY 42 Ca -0.02 -1.49 0.01 0.00 0.00 0.00 0.00 44.72 43.22 3jrm s GLY 42 CO -0.00 -1.58 -0.03 -0.29 0.00 0.00 0.00 173.10 171.20 3jrm s MET 43 N -3.42 0.36 0.11 2.90 1.75 0.01 -1.07 119.30 119.93 3jrm s MET 43 Ca 0.16 -0.08 0.07 0.00 -1.25 0.00 0.00 55.69 54.59 3jrm s MET 43 Cb -0.00 -0.40 -0.04 0.00 2.84 0.00 0.00 34.83 37.23 3jrm s MET 43 CO 0.03 0.01 -0.07 0.95 -0.65 0.00 0.00 175.02 175.29 3jrm s THR 44 N 0.30 3.56 -0.01 10.11 -4.23 -0.40 -0.86 115.64 124.11 3jrm s THR 44 Ca -0.03 -1.21 0.07 0.00 -1.18 0.00 0.00 61.69 59.34 3jrm s THR 44 Cb -0.06 -2.68 -0.02 0.00 1.34 0.00 0.00 72.50 71.08 3jrm s THR 44 CO -0.01 0.10 -0.22 0.27 -0.54 0.00 0.00 174.62 174.23 3jrm s ILE 45 N -1.27 1.70 0.05 2.99 -4.36 -0.43 -2.32 121.20 117.56 3jrm s ILE 45 Ca 0.23 -0.97 -0.00 0.00 -0.26 0.00 0.00 60.65 59.65 3jrm s ILE 45 Cb -0.11 -1.43 -0.04 0.00 1.25 0.00 0.00 42.46 42.14 3jrm s ILE 45 CO 0.15 0.44 -0.04 0.00 0.24 0.00 0.00 174.94 175.73 3jrm s ALA 46 N -0.55 0.53 0.00 2.27 0.00 -0.86 -4.88 121.76 118.26 3jrm s ALA 46 Ca 0.08 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3jrm s ALA 46 Cb -0.08 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.25 3jrm s ALA 46 CO -0.00 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.88 3jrm n GLY 47 N 0.43 -0.23 3.67 0.00 0.00 -1.26 -1.72 105.19 106.09 3jrm n GLY 47 Ca -0.16 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 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 0.11 0.99 2.96 0.19 -4.90 118.68 122.35 3jrm s LEU 48 Ca 0.00 2.20 -0.24 0.00 -0.22 0.00 0.00 54.13 55.88 3jrm s LEU 48 Cb 0.00 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 43.06 3jrm s LEU 48 CO 0.00 -0.85 1.69 0.58 -1.32 0.00 0.00 176.35 176.45 3jrm h VAL 49 N 5.26 0.73 -0.26 1.68 2.07 -1.92 -1.42 116.25 122.38 3jrm h VAL 49 Ca -0.38 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.20 3jrm h VAL 49 Cb 1.18 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 31.60 3jrm h VAL 49 CO 0.94 0.00 -0.37 1.23 0.02 0.00 0.00 177.57 179.39 3jrm h GLY 50 N -0.19 -0.48 0.55 2.17 0.00 -1.99 0.33 103.07 103.46 3jrm h GLY 50 Ca 0.04 0.46 0.06 0.00 0.00 0.00 0.00 47.33 47.89 3jrm h GLY 50 CO -0.10 -0.21 0.07 -0.55 0.00 0.00 0.00 176.54 175.74 3jrm h ASP 51 N -0.37 -0.00 -0.49 0.19 3.32 -1.90 -2.01 116.42 115.17 3jrm h ASP 51 Ca 0.12 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.26 3jrm h ASP 51 Cb 0.57 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 3jrm h ASP 51 CO -0.46 0.04 0.29 0.00 -1.72 0.00 0.00 179.24 177.38 3jrm h ALA 52 N 1.28 0.62 -0.47 3.45 0.00 -0.31 -1.66 119.26 122.17 3jrm h ALA 52 Ca 0.17 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3jrm h ALA 52 Cb 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3jrm h ALA 52 CO -0.23 -0.02 -0.04 1.96 0.00 0.00 0.00 179.25 180.92 3jrm h GLN 53 N 0.57 0.85 -0.17 0.00 4.20 -0.71 -0.14 115.11 119.70 3jrm h GLN 53 Ca 0.20 -0.29 0.04 0.00 0.06 0.00 0.00 58.65 58.66 3jrm h GLN 53 Cb 0.02 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 3jrm h GLN 53 CO -0.09 0.91 -0.11 0.28 -0.67 0.00 0.00 178.83 179.16 3jrm h VAL 54 N 0.69 0.68 -0.81 -0.54 2.07 -1.23 -2.22 116.25 114.89 3jrm h VAL 54 Ca 0.13 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.68 3jrm h VAL 54 Cb 0.55 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 3jrm h VAL 54 CO 0.03 0.00 0.54 -0.07 0.02 0.00 0.00 177.57 178.09 3jrm h LEU 55 N -0.10 0.88 -0.49 2.57 3.38 -0.85 -1.06 115.31 119.63 3jrm h LEU 55 Ca 0.10 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3jrm h LEU 55 Cb 0.25 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3jrm h LEU 55 CO -0.23 0.61 0.30 0.58 0.09 0.00 0.00 178.44 179.79 3jrm h VAL 56 N 1.02 1.06 -0.43 1.22 2.07 -0.58 -0.82 116.25 119.80 3jrm h VAL 56 Ca 0.32 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.60 3jrm h VAL 56 Cb 0.01 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3jrm h VAL 56 CO -0.09 0.11 0.13 0.03 0.02 0.00 0.00 177.57 177.77 3jrm h ARG 57 N 0.60 0.67 -0.41 1.57 3.08 -0.81 -1.24 114.38 117.85 3jrm h ARG 57 Ca 0.20 -0.15 0.04 0.00 0.07 0.00 0.00 59.98 60.13 3jrm h ARG 57 Cb 0.00 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 3jrm h ARG 57 CO -0.08 0.66 0.19 1.88 -1.07 0.00 0.00 179.97 181.55 3jrm h TYR 58 N 0.56 0.34 -0.51 3.04 0.99 -0.93 -1.26 116.97 119.20 3jrm h TYR 58 Ca 0.14 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.84 3jrm h TYR 58 Cb 0.28 -0.10 -0.02 0.00 1.00 0.00 0.00 36.73 37.89 3jrm h TYR 58 CO 0.01 0.17 0.13 0.52 -0.00 0.00 0.00 178.16 178.99 3jrm h MET 59 N 0.38 0.82 -0.22 4.88 2.86 -0.94 0.34 114.93 123.05 3jrm h MET 59 Ca 0.18 -0.20 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 3jrm h MET 59 Cb 0.11 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 3jrm h MET 59 CO -0.14 0.78 -0.11 0.87 1.06 0.00 0.00 176.91 179.37 3jrm h LYS 60 N 0.71 -0.08 0.14 1.72 1.57 -0.99 -0.74 116.57 118.90 3jrm h LYS 60 Ca 0.16 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3jrm h LYS 60 Cb 0.33 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3jrm h LYS 60 CO 0.00 -0.05 -0.07 0.00 -0.57 0.00 0.00 179.45 178.76 3jrm h ALA 61 N 1.10 -0.19 -0.38 3.86 0.00 -0.81 -1.83 119.26 121.01 3jrm h ALA 61 Ca 0.12 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3jrm h ALA 61 Cb 0.26 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3jrm h ALA 61 CO -0.28 -0.57 -0.06 1.49 0.00 0.00 0.00 179.25 179.84 3jrm h GLU 62 N -0.28 0.63 0.10 0.00 4.22 -0.11 -1.16 114.58 117.98 3jrm h GLU 62 Ca -0.02 -0.17 -0.28 0.00 0.08 0.00 0.00 59.36 58.98 3jrm h GLU 62 Cb 0.22 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 29.41 3jrm h GLU 62 CO 0.03 0.69 -1.17 -0.07 -2.18 0.00 0.00 179.01 176.31 3jrm h LEU 63 N 0.58 0.67 -0.45 1.64 3.38 -1.12 -1.42 115.31 118.60 3jrm h LEU 63 Ca 0.11 -0.62 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 3jrm h LEU 63 Cb 0.46 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3jrm h LEU 63 CO 0.02 1.45 0.28 -0.08 0.09 0.00 0.00 178.44 180.20 3jrm h GLU 64 N 0.21 0.61 0.20 1.13 4.81 -1.12 -1.11 114.58 119.30 3jrm h GLU 64 Ca -0.15 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 3jrm h GLU 64 Cb 1.85 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 31.10 3jrm h GLU 64 CO 0.21 0.44 -0.09 1.25 -0.73 0.00 0.00 179.01 180.08 3jrm h LEU 65 N 0.60 -0.22 -0.67 1.64 5.85 -1.21 -2.62 115.31 118.67 3jrm h LEU 65 Ca 0.16 -0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.99 3jrm h LEU 65 Cb -0.02 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 3jrm h LEU 65 CO -0.03 -0.15 0.24 0.22 -0.34 0.00 0.00 178.44 178.38 3jrm h TYR 66 N -0.28 0.40 -0.80 1.25 5.03 -1.09 -1.23 116.97 120.25 3jrm h TYR 66 Ca -0.03 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.28 3jrm h TYR 66 Cb 0.22 -0.08 -0.04 0.00 1.55 0.00 0.00 36.73 38.38 3jrm h TYR 66 CO -0.06 0.06 0.35 -0.09 -1.32 0.00 0.00 178.16 177.10 3jrm h ARG 67 N 0.39 1.17 -0.28 1.82 2.43 -1.03 0.16 114.38 119.05 3jrm h ARG 67 Ca 0.35 -0.19 -0.15 0.00 -0.81 0.00 0.00 59.98 59.18 3jrm h ARG 67 Cb 0.50 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3jrm h ARG 67 CO -0.37 0.93 -0.45 -0.07 -1.51 0.00 0.00 179.97 178.50 3jrm h LEU 68 N 1.15 0.77 -0.39 3.80 3.38 -1.02 0.34 115.31 123.34 3jrm h LEU 68 Ca 0.27 -0.37 -0.18 0.00 0.09 0.00 0.00 57.88 57.68 3jrm h LEU 68 Cb 0.17 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3jrm h LEU 68 CO -0.03 1.11 -0.78 1.56 0.09 0.00 0.00 178.44 180.39 3jrm h GLN 69 N 0.57 0.28 0.00 1.13 4.20 -0.71 -3.33 115.11 117.25 3jrm h GLN 69 Ca 0.04 -0.26 -0.12 0.00 0.06 0.00 0.00 58.65 58.37 3jrm h GLN 69 Cb 1.00 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.82 3jrm h GLN 69 CO 0.09 0.93 -2.12 0.54 -0.67 0.00 0.00 178.83 177.60 3jrm n ARG 70 N -3.76 0.67 -1.29 1.46 3.00 0.52 -4.99 116.66 112.28 3jrm n ARG 70 Ca -0.04 -0.14 -0.10 0.00 -0.01 0.00 0.00 57.85 57.57 3jrm n ARG 70 Cb 0.74 -1.52 -0.04 0.00 0.00 0.00 0.00 32.46 31.64 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 -2.42 -1.40 -4.09 5.56 1.74 0.12 -4.99 116.66 111.18 3jrm n ARG 71 Ca -0.14 0.81 -0.13 0.00 -0.77 0.00 0.00 57.85 57.63 3jrm n ARG 71 Cb 0.76 -5.05 -0.11 0.00 -1.02 0.00 0.00 32.46 27.04 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 -2.02 0.60 0.50 1.55 -7.23 -1.24 -5.04 120.40 107.51 3jrm s VAL 72 Ca 0.00 -1.30 -0.22 0.00 -1.81 0.00 0.00 61.98 58.65 3jrm s VAL 72 Cb 0.00 -0.89 -0.06 0.00 0.56 0.00 0.00 36.38 35.98 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 -1.95 5.82 0.17 4.85 -0.87 -1.26 -4.27 114.94 117.43 3jrm s ASN 73 Ca -0.04 2.41 -0.32 0.00 -1.57 0.00 0.00 52.86 53.35 3jrm s ASN 73 Cb -0.06 -2.61 -0.11 0.00 -0.02 0.00 0.00 41.25 38.45 3jrm s ASN 73 CO -0.01 -1.16 1.78 0.80 -2.57 0.00 0.00 177.10 175.94 3jrm n MET 74 N -0.78 2.79 -1.60 -0.60 0.00 -1.26 -4.95 117.12 110.72 3jrm n MET 74 Ca 0.09 1.01 -0.41 0.00 -0.00 0.00 0.00 57.70 58.39 3jrm n MET 74 Cb 0.48 -2.88 0.02 0.00 0.00 0.00 0.00 33.22 30.83 3jrm n MET 74 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3jrm n PRO 75 N 4.72 1.23 -0.27 2.12 -0.02 -1.26 -4.80 135.00 136.73 3jrm n PRO 75 Ca 0.17 0.45 -0.05 0.00 -2.02 0.00 0.00 63.50 62.04 3jrm n PRO 75 Cb 0.36 -2.04 0.06 0.00 -0.02 0.00 0.00 33.50 31.86 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 1.30 1.21 -0.22 4.25 1.08 -1.92 0.10 117.51 123.31 3jrm h ILE 76 Ca -0.45 -0.49 -0.00 0.00 -0.39 0.00 0.00 64.86 63.52 3jrm h ILE 76 Cb 1.35 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 35.30 3jrm h ILE 76 CO 0.55 0.23 0.13 -0.08 -0.69 0.00 0.00 178.15 178.29 3jrm h GLU 77 N 1.00 0.30 -0.50 2.37 4.81 -1.98 -1.78 114.58 118.80 3jrm h GLU 77 Ca 0.26 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.36 3jrm h GLU 77 Cb -0.01 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3jrm h GLU 77 CO -0.05 0.21 -0.12 0.00 -0.73 0.00 0.00 179.01 178.32 3jrm h ALA 78 N 1.84 0.84 -0.47 2.92 0.00 -1.36 0.14 119.26 123.16 3jrm h ALA 78 Ca 0.08 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3jrm h ALA 78 Cb -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3jrm h ALA 78 CO -0.02 0.65 0.17 0.28 0.00 0.00 0.00 179.25 180.34 3jrm h VAL 79 N 0.84 1.22 -0.56 0.00 2.07 -0.50 0.38 116.25 119.70 3jrm h VAL 79 Ca 0.13 -0.69 -0.07 0.00 0.82 0.00 0.00 66.70 66.89 3jrm h VAL 79 Cb 0.66 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3jrm h VAL 79 CO 0.05 0.26 0.06 0.00 0.02 0.00 0.00 177.57 177.95 3jrm h ALA 80 N 1.02 1.05 -0.39 1.67 0.00 -1.24 -1.68 119.26 119.70 3jrm h ALA 80 Ca 0.16 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3jrm h ALA 80 Cb 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3jrm h ALA 80 CO -0.01 0.60 -0.26 1.15 0.00 0.00 0.00 179.25 180.73 3jrm h THR 81 N 0.86 1.27 0.11 0.00 2.02 -0.57 -0.29 112.91 116.31 3jrm h THR 81 Ca 0.17 -1.40 -0.01 0.00 0.77 0.00 0.00 66.41 65.95 3jrm h THR 81 Cb 0.42 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3jrm h THR 81 CO 0.01 0.47 -0.05 0.25 0.37 0.00 0.00 175.52 176.56 3jrm h LEU 82 N 0.69 -0.13 -0.94 2.58 5.85 -0.73 -1.31 115.31 121.32 3jrm h LEU 82 Ca 0.09 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3jrm h LEU 82 Cb 0.79 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 3jrm h LEU 82 CO 0.07 -0.05 0.61 -0.07 -0.34 0.00 0.00 178.44 178.66 3jrm h LEU 83 N -0.20 1.04 -0.01 2.25 3.38 -1.17 -1.15 115.31 119.43 3jrm h LEU 83 Ca -0.02 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3jrm h LEU 83 Cb 0.16 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3jrm h LEU 83 CO 0.03 0.73 -0.33 -1.28 0.09 0.00 0.00 178.44 177.68 3jrm h SER 84 N 1.22 -0.98 -0.50 -0.43 0.87 -0.81 -0.79 113.55 112.12 3jrm h SER 84 Ca 0.36 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.05 3jrm h SER 84 Cb -0.06 0.40 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 3jrm h SER 84 CO -0.10 -0.39 0.32 0.78 -0.53 0.00 0.00 176.83 176.91 3jrm h ASN 85 N -0.47 0.59 -0.13 6.23 2.35 -0.78 -1.84 115.58 121.53 3jrm h ASN 85 Ca 0.06 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3jrm h ASN 85 Cb 0.56 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 3jrm h ASN 85 CO -0.28 0.45 0.08 0.24 -1.65 0.00 0.00 177.43 176.27 3jrm h MET 86 N 0.68 0.17 -0.22 0.81 2.86 -0.84 -0.80 114.93 117.59 3jrm h MET 86 Ca 0.18 -0.02 -0.19 0.00 -2.06 0.00 0.00 59.70 57.62 3jrm h MET 86 Cb -0.05 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.58 3jrm h MET 86 CO -0.04 0.16 -0.62 -0.07 1.06 0.00 0.00 176.91 177.40 3jrm h LEU 87 N 0.14 0.87 -0.62 1.22 4.07 -1.08 -2.96 115.31 116.94 3jrm h LEU 87 Ca 0.05 -0.50 -0.13 0.00 0.08 0.00 0.00 57.88 57.38 3jrm h LEU 87 Cb 0.03 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.51 3jrm h LEU 87 CO -0.01 1.28 -0.26 -1.13 -1.08 0.00 0.00 178.44 177.24 3jrm h ASN 88 N 0.56 0.84 -0.97 -0.43 -0.73 -1.29 -2.60 115.58 110.97 3jrm h ASN 88 Ca -0.01 -0.32 0.22 0.00 1.87 0.00 0.00 56.30 58.07 3jrm h ASN 88 Cb 1.22 -0.23 -0.12 0.00 0.27 0.00 0.00 38.32 39.46 3jrm h ASN 88 CO 0.13 1.05 0.54 1.56 -0.37 0.00 0.00 177.43 180.34 3jrm h GLN 89 N 0.70 0.55 -0.72 6.67 4.20 -0.97 -1.58 115.11 123.96 3jrm h GLN 89 Ca 0.09 -0.03 -0.47 0.00 0.06 0.00 0.00 58.65 58.29 3jrm h GLN 89 Cb 0.79 -0.12 -0.28 0.00 0.30 0.00 0.00 27.48 28.17 3jrm h GLN 89 CO 0.07 0.37 0.02 1.33 -0.67 0.00 0.00 178.83 179.94 3jrm n VAL 90 N -4.90 2.92 0.13 -0.54 0.24 -1.00 -4.79 118.33 110.38 3jrm n VAL 90 Ca 0.25 -3.23 0.06 0.00 -2.04 0.00 0.00 64.34 59.38 3jrm n VAL 90 Cb 0.68 -0.84 0.53 0.00 -1.47 0.00 0.00 33.84 32.73 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 1.68 0.27 0.00 7.34 2.10 -1.03 -1.00 116.57 125.92 3jrm h LYS 91 Ca 0.42 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 3jrm h LYS 91 Cb 1.46 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.73 3jrm h LYS 91 CO 0.92 0.18 -0.24 0.66 -2.00 0.00 0.00 179.45 178.96 3jrm n TYR 92 N -4.51 0.08 -3.14 0.07 4.02 -1.26 -3.76 117.16 108.66 3jrm n TYR 92 Ca 0.00 0.02 -0.21 0.00 -0.01 0.00 0.00 57.90 57.71 3jrm n TYR 92 Cb 0.08 -0.43 -0.04 0.00 -0.02 0.00 0.00 39.34 38.94 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 -1.57 1.48 -1.68 -0.72 2.81 -0.44 -5.13 117.12 111.87 3jrm n MET 93 Ca 0.06 -3.72 -0.31 0.00 -1.81 0.00 0.00 57.70 51.92 3jrm n MET 93 Cb 0.35 -1.79 0.04 0.00 -0.71 0.00 0.00 33.22 31.10 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 -2.53 3.14 -0.31 0.03 0.04 -0.82 -4.91 135.00 129.65 3jrm s PRO 94 Ca 0.41 0.86 -0.29 0.00 0.04 0.00 0.00 61.00 62.03 3jrm s PRO 94 Cb 0.31 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.82 3jrm s PRO 94 CO -0.09 -0.93 1.51 0.71 0.04 0.00 0.00 177.00 178.24 3jrm s TYR 95 N -3.10 2.28 -1.35 0.56 1.51 -1.26 -4.95 117.35 111.04 3jrm s TYR 95 Ca 0.57 0.67 -0.13 0.00 -1.01 0.00 0.00 57.07 57.17 3jrm s TYR 95 Cb -0.13 -4.07 0.10 0.00 -0.11 0.00 0.00 41.96 37.74 3jrm s TYR 95 CO 0.55 -2.38 1.95 -1.33 -1.11 0.00 0.00 175.55 173.22 3jrm n MET 96 N 7.80 3.19 -4.11 -0.62 2.81 -1.26 -4.60 117.12 120.32 3jrm n MET 96 Ca 0.18 -3.13 -0.09 0.00 -1.81 0.00 0.00 57.70 52.86 3jrm n MET 96 Cb 0.46 -3.20 -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 2.46 0.15 -0.10 2.03 -7.23 -1.26 -0.64 120.40 115.81 3jrm s VAL 97 Ca 0.46 -1.84 0.03 0.00 -1.81 0.00 0.00 61.98 58.81 3jrm s VAL 97 Cb 0.09 -1.81 0.01 0.00 0.56 0.00 0.00 36.38 35.23 3jrm s VAL 97 CO -0.02 -0.68 -0.18 -1.10 -0.31 0.00 0.00 175.10 172.81 3jrm s GLN 98 N -3.99 2.38 -0.03 4.82 -0.21 -0.70 -2.95 119.66 118.99 3jrm s GLN 98 Ca 0.17 -0.64 0.07 0.00 0.02 0.00 0.00 55.36 54.97 3jrm s GLN 98 Cb 0.08 -1.92 -0.02 0.00 1.00 0.00 0.00 33.01 32.14 3jrm s GLN 98 CO -0.03 0.04 -0.22 -0.51 -2.12 0.00 0.00 175.29 172.44 3jrm s LEU 99 N 0.70 2.30 -0.12 2.90 1.43 0.10 -2.03 118.68 123.95 3jrm s LEU 99 Ca -0.12 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.57 3jrm s LEU 99 Cb -0.16 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 3jrm s LEU 99 CO 0.03 0.32 -0.03 -0.76 0.23 0.00 0.00 176.35 176.15 3jrm s LEU 100 N -0.70 3.35 -0.16 1.79 1.43 -0.98 -0.82 118.68 122.60 3jrm s LEU 100 Ca 0.11 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 3jrm s LEU 100 Cb -0.10 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.36 3jrm s LEU 100 CO -0.00 0.27 -0.16 -0.69 0.23 0.00 0.00 176.35 176.00 3jrm s VAL 101 N -0.23 1.71 0.04 -1.59 1.01 0.08 -1.27 120.40 120.14 3jrm s VAL 101 Ca 0.04 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.35 3jrm s VAL 101 Cb -0.13 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 3jrm s VAL 101 CO 0.02 0.48 -0.13 -0.83 0.00 0.00 0.00 175.10 174.64 3jrm s GLY 102 N 1.41 0.76 -0.08 4.51 0.00 -0.23 -0.32 107.32 113.36 3jrm s GLY 102 Ca 0.04 -0.80 -0.30 0.00 0.00 0.00 0.00 44.72 43.66 3jrm s GLY 102 CO -0.11 -0.77 1.36 -0.32 0.00 0.00 0.00 173.10 173.26 3jrm s GLY 103 N -1.10 -0.20 -0.14 0.20 0.00 -0.48 -0.60 107.32 105.00 3jrm s GLY 103 Ca 0.01 0.13 0.02 0.00 0.00 0.00 0.00 44.72 44.88 3jrm s GLY 103 CO 0.01 6.92 -0.20 -0.42 0.00 0.00 0.00 173.10 179.41 3jrm s ILE 104 N -2.00 2.26 0.00 0.90 -1.09 -0.75 -0.84 121.20 119.67 3jrm s ILE 104 Ca 0.32 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.83 3jrm s ILE 104 Cb -0.00 -1.91 0.00 0.00 -1.58 0.00 0.00 42.46 38.97 3jrm s ILE 104 CO -0.03 0.54 0.00 -0.90 -1.23 0.00 0.00 174.94 173.33 3jrm n ASP 105 N 3.98 0.00 0.09 3.58 5.68 -1.26 -4.79 116.55 123.83 3jrm n ASP 105 Ca -0.20 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.21 3jrm n ASP 105 Cb 0.52 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 40.95 3jrm n ASP 105 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3jrm n THR 106 N 0.00 0.65 -4.00 2.12 -2.24 -1.26 -4.86 114.28 104.70 3jrm n THR 106 Ca 0.00 0.01 -0.09 0.00 -2.27 0.00 0.00 64.05 61.70 3jrm n THR 106 Cb 0.00 -0.84 -0.05 0.00 -2.10 0.00 0.00 70.33 67.34 3jrm n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3jrm s ALA 107 N -3.16 -0.25 0.48 6.98 0.00 -1.26 -5.16 121.76 119.40 3jrm s ALA 107 Ca 0.08 -0.88 -0.19 0.00 0.00 0.00 0.00 51.96 50.97 3jrm s ALA 107 Cb 0.12 1.07 -0.09 0.00 0.00 0.00 0.00 23.12 24.21 3jrm s ALA 107 CO 0.47 -0.86 0.99 -2.14 0.00 0.00 0.00 175.76 174.22 3jrm s PRO 108 N -3.99 3.98 -0.06 0.00 0.02 -1.26 -4.34 135.00 129.34 3jrm s PRO 108 Ca 0.22 1.14 -0.16 0.00 0.02 0.00 0.00 61.00 62.22 3jrm s PRO 108 Cb -0.01 -2.14 0.03 0.00 0.02 0.00 0.00 34.50 32.41 3jrm s PRO 108 CO 0.09 -0.25 0.37 -1.01 -0.33 0.00 0.00 177.00 175.87 3jrm s HIS 109 N -2.28 -0.31 -0.05 6.54 3.76 -0.02 -4.96 115.29 117.97 3jrm s HIS 109 Ca 0.62 0.62 0.02 0.00 -0.15 0.00 0.00 55.06 56.17 3jrm s HIS 109 Cb -0.11 0.14 0.02 0.00 1.11 0.00 0.00 32.58 33.73 3jrm s HIS 109 CO 0.22 -0.35 -0.08 0.08 -0.85 0.00 0.00 174.74 173.76 3jrm s VAL 110 N -0.78 0.77 0.03 -0.90 1.01 -1.26 -1.39 120.40 117.90 3jrm s VAL 110 Ca -0.09 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 61.68 3jrm s VAL 110 Cb -0.04 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 3jrm s VAL 110 CO 0.03 0.27 -0.21 -0.36 0.00 0.00 0.00 175.10 174.84 3jrm s PHE 111 N 0.67 1.83 -0.18 5.22 0.40 0.57 -2.08 117.98 124.40 3jrm s PHE 111 Ca -0.11 -0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 55.84 3jrm s PHE 111 Cb -0.14 -1.10 0.00 0.00 0.51 0.00 0.00 43.02 42.29 3jrm s PHE 111 CO 0.01 0.07 -0.13 0.45 0.70 0.00 0.00 175.22 176.33 3jrm s SER 112 N -1.07 3.72 -0.05 1.36 0.15 -0.71 -0.75 113.70 116.36 3jrm s SER 112 Ca 0.08 -0.49 0.05 0.00 0.70 0.00 0.00 55.95 56.28 3jrm s SER 112 Cb -0.09 -1.60 -0.02 0.00 -1.71 0.00 0.00 66.02 62.61 3jrm s SER 112 CO 0.01 0.03 -0.19 -0.63 1.20 0.00 0.00 173.24 173.67 3jrm s ILE 113 N 1.12 2.62 0.50 6.45 1.09 -0.00 -1.69 121.20 131.29 3jrm s ILE 113 Ca 0.01 -0.88 0.07 0.00 -1.10 0.00 0.00 60.65 58.74 3jrm s ILE 113 Cb -0.14 -2.00 0.07 0.00 -1.06 0.00 0.00 42.46 39.32 3jrm s ILE 113 CO -0.04 0.58 0.54 -0.90 -0.10 0.00 0.00 174.94 175.01 3jrm n ASP 114 N 2.60 2.20 0.05 3.58 5.68 -0.02 -0.72 116.55 129.93 3jrm n ASP 114 Ca -0.17 -2.51 0.10 0.00 -0.50 0.00 0.00 54.79 51.71 3jrm n ASP 114 Cb 0.52 -0.21 0.43 0.00 -1.14 0.00 0.00 41.12 40.71 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 -2.21 1.83 -0.32 2.12 0.00 -1.15 -1.99 120.51 118.80 3jrm n ALA 115 Ca -0.14 -0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.38 3jrm n ALA 115 Cb 0.54 -1.35 0.26 0.00 0.00 0.00 0.00 19.45 18.90 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 -1.62 2.34 -0.64 0.00 0.00 -1.26 -4.53 120.51 114.79 3jrm n ALA 116 Ca 0.04 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 52.21 3jrm n ALA 116 Cb 0.24 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 1.15 0.77 3.68 0.00 0.00 -0.84 -4.00 105.19 105.95 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 -1.76 1.76 -0.11 -0.02 0.00 -1.26 -4.46 107.32 101.46 3jrm s GLY 118 Ca 0.00 0.91 0.03 0.00 0.00 0.00 0.00 44.72 45.65 3jrm s GLY 118 CO 0.00 2.64 -0.19 -0.45 0.00 0.00 0.00 173.10 175.09 3jrm s SER 119 N 2.15 2.74 -0.03 1.64 0.15 -1.26 -0.84 113.70 118.26 3jrm s SER 119 Ca 0.66 -0.50 0.03 0.00 0.70 0.00 0.00 55.95 56.84 3jrm s SER 119 Cb -0.32 -1.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.73 3jrm s SER 119 CO 0.27 0.07 -0.13 -0.69 1.20 0.00 0.00 173.24 173.96 3jrm s VAL 120 N 0.75 1.07 0.33 4.45 1.01 -0.68 -4.97 120.40 122.36 3jrm s VAL 120 Ca -0.10 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 3jrm s VAL 120 Cb -0.16 -0.93 -0.09 0.00 0.00 0.00 0.00 36.38 35.20 3jrm s VAL 120 CO 0.01 0.32 0.74 -0.70 0.00 0.00 0.00 175.10 175.47 3jrm s GLU 121 N 0.11 3.98 0.13 2.72 2.12 -1.26 -1.74 118.70 124.77 3jrm s GLU 121 Ca -0.03 0.65 -0.24 0.00 0.36 0.00 0.00 54.97 55.71 3jrm s GLU 121 Cb -0.10 -2.42 0.07 0.00 0.26 0.00 0.00 34.13 31.94 3jrm s GLU 121 CO 0.01 0.13 0.63 0.34 -0.54 0.00 0.00 175.26 175.83 3jrm s ASP 122 N -2.36 -0.56 0.29 -1.70 -1.08 -0.88 -4.98 116.67 105.39 3jrm s ASP 122 Ca 0.54 0.05 0.13 0.00 -0.52 0.00 0.00 52.55 52.75 3jrm s ASP 122 Cb -0.10 0.58 0.40 0.00 -1.46 0.00 0.00 42.92 42.34 3jrm s ASP 122 CO 0.19 -0.92 1.62 0.16 0.52 0.00 0.00 175.17 176.73 3jrm h ILE 123 N 2.07 1.26 -3.68 4.11 3.07 -1.95 -3.35 117.51 119.05 3jrm h ILE 123 Ca -0.33 -2.04 -0.08 0.00 1.55 0.00 0.00 64.86 63.97 3jrm h ILE 123 Cb 1.29 2.14 -0.13 0.00 -0.27 0.00 0.00 36.82 39.86 3jrm h ILE 123 CO 0.38 0.56 -0.24 -0.72 -1.05 0.00 0.00 178.15 177.07 3jrm s TYR 124 N -3.51 0.12 -0.04 0.16 -0.85 -1.26 -1.14 117.35 110.82 3jrm s TYR 124 Ca -0.00 -0.49 -0.30 0.00 -0.52 0.00 0.00 57.07 55.76 3jrm s TYR 124 Cb 0.12 0.07 0.07 0.00 0.38 0.00 0.00 41.96 42.60 3jrm s TYR 124 CO 0.74 -0.68 0.70 0.00 -1.52 0.00 0.00 175.55 174.79 3jrm s ALA 125 N -3.88 -1.76 0.04 9.51 0.00 -0.47 -5.01 121.76 120.18 3jrm s ALA 125 Ca 0.09 1.25 0.02 0.00 0.00 0.00 0.00 51.96 53.31 3jrm s ALA 125 Cb 0.03 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 3jrm s ALA 125 CO -0.07 -0.41 -0.06 0.45 0.00 0.00 0.00 175.76 175.67 3jrm s SER 126 N -1.36 0.74 0.05 0.00 0.15 -1.26 -0.99 113.70 111.03 3jrm s SER 126 Ca -0.09 -0.61 -0.01 0.00 0.70 0.00 0.00 55.95 55.94 3jrm s SER 126 Cb -0.00 0.06 -0.04 0.00 -1.71 0.00 0.00 66.02 64.33 3jrm s SER 126 CO 0.07 -0.27 -0.03 0.42 1.20 0.00 0.00 173.24 174.62 3jrm s THR 127 N -1.77 0.25 0.00 6.45 -4.23 -0.54 -4.92 115.64 110.87 3jrm s THR 127 Ca -0.08 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 3jrm s THR 127 Cb -0.07 -1.45 0.00 0.00 1.34 0.00 0.00 72.50 72.31 3jrm s THR 127 CO -0.01 -0.96 0.00 0.61 -0.54 0.00 0.00 174.62 173.72 3jrm n GLY 128 N 0.19 0.63 0.34 3.99 0.00 -1.26 -1.03 105.19 108.06 3jrm n GLY 128 Ca -0.14 -1.95 0.15 0.00 0.00 0.00 0.00 46.02 44.08 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 0.07 -0.06 1.61 4.64 -1.55 -0.69 113.55 117.57 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 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3jrm h SER 129 CO 0.00 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 3jrm n GLY 130 N -1.59 -0.31 0.23 -0.77 0.00 -0.50 -4.42 105.19 97.83 3jrm n GLY 130 Ca 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 1.36 0.29 -0.27 1.61 4.64 -1.32 -2.61 113.55 117.25 3jrm h SER 131 Ca 0.00 -0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.20 3jrm h SER 131 Cb 0.29 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 3jrm h SER 131 CO 0.00 0.52 0.04 -0.65 -0.87 0.00 0.00 176.83 175.87 3jrm h PRO 132 N 0.27 0.55 -0.42 4.77 0.11 -1.80 -0.10 132.00 135.38 3jrm h PRO 132 Ca 0.05 -0.11 -0.07 0.00 0.11 0.00 0.00 66.00 65.98 3jrm h PRO 132 Cb 0.54 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 3jrm h PRO 132 CO 0.04 0.55 -0.00 0.74 -0.21 0.00 0.00 178.00 179.11 3jrm h PHE 133 N 0.54 0.81 -0.53 0.65 0.04 -1.80 -1.88 116.94 114.76 3jrm h PHE 133 Ca 0.12 -0.14 0.01 0.00 2.80 0.00 0.00 57.97 60.76 3jrm h PHE 133 Cb 0.28 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 3jrm h PHE 133 CO 0.01 0.81 0.34 0.28 -0.60 0.00 0.00 178.31 179.15 3jrm h VAL 134 N 0.58 1.10 -0.28 -0.55 2.07 -1.26 -2.23 116.25 115.69 3jrm h VAL 134 Ca 0.12 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3jrm h VAL 134 Cb 0.49 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3jrm h VAL 134 CO 0.02 0.12 0.17 1.88 0.02 0.00 0.00 177.57 179.79 3jrm h TYR 135 N 0.68 0.35 0.59 1.57 0.05 -0.64 0.98 116.97 120.56 3jrm h TYR 135 Ca 0.20 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.97 3jrm h TYR 135 Cb -0.04 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 3jrm h TYR 135 CO -0.05 0.23 -0.39 0.78 -1.05 0.00 0.00 178.16 177.69 3jrm h GLY 136 N 0.40 -1.02 0.75 3.88 0.00 -0.75 -0.63 103.07 105.69 3jrm h GLY 136 Ca 0.10 0.43 0.02 0.00 0.00 0.00 0.00 47.33 47.89 3jrm h GLY 136 CO -0.02 -0.36 -0.06 -2.08 0.00 0.00 0.00 176.54 174.02 3jrm h VAL 137 N -0.93 0.83 -0.67 4.60 2.07 -0.95 -2.07 116.25 119.12 3jrm h VAL 137 Ca -0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3jrm h VAL 137 Cb 0.77 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3jrm h VAL 137 CO 0.06 0.00 0.35 -0.07 0.02 0.00 0.00 177.57 177.93 3jrm h LEU 138 N -0.06 0.86 -0.69 2.57 3.38 -0.85 0.22 115.31 120.73 3jrm h LEU 138 Ca 0.05 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 57.98 3jrm h LEU 138 Cb 0.14 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 3jrm h LEU 138 CO -0.12 0.72 0.38 -0.33 0.09 0.00 0.00 178.44 179.19 3jrm h GLU 139 N 0.93 0.67 -0.02 1.13 4.39 -0.77 -0.97 114.58 119.94 3jrm h GLU 139 Ca 0.23 -0.04 -0.21 0.00 0.34 0.00 0.00 59.36 59.69 3jrm h GLU 139 Cb 0.07 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 3jrm h GLU 139 CO -0.03 0.45 -0.87 1.03 -1.16 0.00 0.00 179.01 178.42 3jrm h SER 140 N 0.69 0.47 0.00 1.42 0.87 -0.79 -3.40 113.55 112.82 3jrm h SER 140 Ca 0.32 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 3jrm h SER 140 Cb 0.23 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3jrm h SER 140 CO -0.20 1.14 -0.11 0.00 -0.53 0.00 0.00 176.83 177.13 3jrm n GLN 141 N -3.76 6.25 -2.71 2.24 6.02 0.01 -5.03 117.38 120.40 3jrm n GLN 141 Ca -0.05 -0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.52 3jrm n GLN 141 Cb 0.79 -0.58 -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 -1.15 3.75 -0.02 1.08 5.04 -0.39 -5.02 117.35 120.63 3jrm s TYR 142 Ca 0.00 1.75 0.07 0.00 -2.44 0.00 0.00 57.07 56.46 3jrm s TYR 142 Cb 0.01 -3.09 -0.02 0.00 0.35 0.00 0.00 41.96 39.21 3jrm s TYR 142 CO 0.04 0.08 -0.23 0.45 -1.34 0.00 0.00 175.55 174.55 3jrm s SER 143 N 0.37 2.72 0.50 4.32 0.15 -1.26 -4.99 113.70 115.51 3jrm s SER 143 Ca 0.49 -0.42 0.20 0.00 0.70 0.00 0.00 55.95 56.91 3jrm s SER 143 Cb -0.23 -0.30 1.27 0.00 -1.71 0.00 0.00 66.02 65.05 3jrm s SER 143 CO 0.29 0.28 2.04 -0.33 1.20 0.00 0.00 173.24 176.73 3jrm h GLU 144 N 5.53 0.10 -0.10 5.44 5.08 -1.96 -2.41 114.58 126.25 3jrm h GLU 144 Ca -0.41 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3jrm h GLU 144 Cb 1.13 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3jrm h GLU 144 CO 0.47 0.06 0.00 1.63 -1.00 0.00 0.00 179.01 180.18 3jrm n LYS 145 N -4.45 1.38 -1.90 2.33 5.02 -1.26 -4.34 118.16 114.94 3jrm n LYS 145 Ca 0.06 -0.57 -0.36 0.00 -2.02 0.00 0.00 58.31 55.42 3jrm n LYS 145 Cb 0.39 -1.31 0.05 0.00 -0.02 0.00 0.00 35.03 34.13 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 -1.88 2.80 0.58 1.97 -1.94 -0.91 -5.02 119.30 114.90 3jrm s MET 146 Ca 0.28 1.93 -0.08 0.00 -1.71 0.00 0.00 55.69 56.11 3jrm s MET 146 Cb 0.14 -1.90 -0.01 0.00 2.01 0.00 0.00 34.83 35.07 3jrm s MET 146 CO 0.22 -1.37 0.93 0.95 -0.01 0.00 0.00 175.02 175.74 3jrm s THR 147 N -1.50 4.21 0.26 2.05 -4.23 -1.26 -4.69 115.64 110.48 3jrm s THR 147 Ca 0.80 0.32 -0.02 0.00 -1.18 0.00 0.00 61.69 61.60 3jrm s THR 147 Cb -0.34 -3.66 0.23 0.00 1.34 0.00 0.00 72.50 70.07 3jrm s THR 147 CO 0.36 -0.75 1.78 0.58 -0.54 0.00 0.00 174.62 176.05 3jrm h VAL 148 N -0.17 0.78 -0.73 2.29 2.07 -1.99 0.06 116.25 118.57 3jrm h VAL 148 Ca -0.45 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 3jrm h VAL 148 Cb 1.23 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3jrm h VAL 148 CO 0.62 0.12 0.37 0.44 0.02 0.00 0.00 177.57 179.14 3jrm h ASP 149 N 0.67 0.93 -0.47 0.57 3.32 -2.00 -0.31 116.42 119.13 3jrm h ASP 149 Ca 0.44 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.33 3jrm h ASP 149 Cb 0.56 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3jrm h ASP 149 CO -0.33 0.79 0.13 -0.33 -1.72 0.00 0.00 179.24 177.79 3jrm h GLU 150 N 1.01 0.74 -0.14 3.56 5.08 -1.72 -2.03 114.58 121.09 3jrm h GLU 150 Ca 0.25 -0.17 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 3jrm h GLU 150 Cb 0.09 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3jrm h GLU 150 CO -0.04 0.71 -0.06 0.78 -1.00 0.00 0.00 179.01 179.40 3jrm h GLY 151 N 0.63 0.06 0.64 -3.84 0.00 -0.61 0.04 103.07 99.98 3jrm h GLY 151 Ca 0.15 0.08 0.08 0.00 0.00 0.00 0.00 47.33 47.63 3jrm h GLY 151 CO -0.00 -0.08 0.51 -2.08 0.00 0.00 0.00 176.54 174.89 3jrm h VAL 152 N -0.05 0.99 -0.69 4.60 2.07 -0.91 0.17 116.25 122.42 3jrm h VAL 152 Ca 0.07 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 3jrm h VAL 152 Cb 0.16 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.91 3jrm h VAL 152 CO -0.17 0.16 0.33 0.44 0.02 0.00 0.00 177.57 178.36 3jrm h ASP 153 N 0.90 0.91 -0.46 0.57 3.32 -0.93 -2.33 116.42 118.40 3jrm h ASP 153 Ca 0.38 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 3jrm h ASP 153 Cb 0.25 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3jrm h ASP 153 CO -0.20 0.79 0.22 0.25 -1.72 0.00 0.00 179.24 178.58 3jrm h LEU 154 N 0.97 0.59 -0.73 1.55 5.85 0.93 -0.93 115.31 123.55 3jrm h LEU 154 Ca 0.24 -0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.71 3jrm h LEU 154 Cb 0.12 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3jrm h LEU 154 CO -0.03 0.55 -0.43 -0.37 -0.34 0.00 0.00 178.44 177.82 3jrm h VAL 155 N 0.59 1.31 -0.66 1.05 -1.51 -1.12 -0.52 116.25 115.40 3jrm h VAL 155 Ca 0.16 -1.60 -0.01 0.00 -1.23 0.00 0.00 66.70 64.02 3jrm h VAL 155 Cb 0.11 1.63 -0.03 0.00 -2.13 0.00 0.00 31.29 30.87 3jrm h VAL 155 CO -0.02 0.50 0.38 0.40 -1.23 0.00 0.00 177.57 177.60 3jrm h ILE 156 N 0.38 1.20 0.05 7.19 2.04 -1.03 -0.16 117.51 127.17 3jrm h ILE 156 Ca 0.03 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 3jrm h ILE 156 Cb 0.91 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 3jrm h ILE 156 CO 0.08 0.21 -0.02 0.03 0.00 0.00 0.00 178.15 178.45 3jrm h ARG 157 N 0.90 -0.07 -0.29 2.37 3.08 -0.82 -0.98 114.38 118.58 3jrm h ARG 157 Ca 0.24 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.35 3jrm h ARG 157 Cb 0.01 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 3jrm h ARG 157 CO -0.04 0.12 -0.11 0.00 -1.07 0.00 0.00 179.97 178.87 3jrm h ALA 158 N 0.70 0.14 -0.23 0.04 0.00 -0.82 -0.28 119.26 118.81 3jrm h ALA 158 Ca -0.01 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3jrm h ALA 158 Cb 0.21 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3jrm h ALA 158 CO 0.01 -0.50 -0.25 0.82 0.00 0.00 0.00 179.25 179.33 3jrm h ILE 159 N -0.06 1.26 -0.51 0.00 2.04 -1.01 -1.53 117.51 117.70 3jrm h ILE 159 Ca 0.15 -1.23 -0.08 0.00 1.00 0.00 0.00 64.86 64.69 3jrm h ILE 159 Cb 0.28 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3jrm h ILE 159 CO -0.33 0.39 0.00 0.28 0.00 0.00 0.00 178.15 178.49 3jrm h SER 160 N 0.38 0.84 0.07 1.72 0.02 -0.57 0.95 113.55 116.95 3jrm h SER 160 Ca 0.06 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3jrm h SER 160 Cb 0.64 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.96 3jrm h SER 160 CO 0.05 0.90 -0.03 0.00 -1.14 0.00 0.00 176.83 176.60 3jrm h ALA 161 N 1.19 -0.09 -0.86 3.77 0.00 -0.75 -2.40 119.26 120.11 3jrm h ALA 161 Ca 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3jrm h ALA 161 Cb 0.48 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3jrm h ALA 161 CO 0.02 -0.50 0.49 0.00 0.00 0.00 0.00 179.25 179.26 3jrm h ALA 162 N 0.74 1.23 -0.37 0.00 0.00 -0.93 -1.09 119.26 118.84 3jrm h ALA 162 Ca -0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3jrm h ALA 162 Cb 0.16 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3jrm h ALA 162 CO 0.02 0.63 0.22 0.87 0.00 0.00 0.00 179.25 180.99 3jrm h LYS 163 N 1.20 0.50 0.00 0.00 1.57 -0.73 -0.25 116.57 118.87 3jrm h LYS 163 Ca 0.31 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 3jrm h LYS 163 Cb 0.00 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 3jrm h LYS 163 CO -0.05 0.36 -0.11 1.96 -0.57 0.00 0.00 179.45 181.03 3jrm h GLN 164 N 0.51 0.00 0.00 3.15 1.08 -0.68 -3.35 115.11 115.83 3jrm h GLN 164 Ca 0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 3jrm h GLN 164 Cb -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 3jrm h GLN 164 CO -0.03 0.11 0.00 0.54 -0.95 0.00 0.00 178.83 178.51 3jrm n ARG 165 N -3.23 0.01 -3.94 1.46 5.12 -0.91 -4.96 116.66 110.21 3jrm n ARG 165 Ca 0.01 -0.33 -0.29 0.00 -1.93 0.00 0.00 57.85 55.31 3jrm n ARG 165 Cb 0.39 -0.81 -0.16 0.00 -1.16 0.00 0.00 32.46 30.71 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 -0.09 2.92 0.37 0.55 2.15 -0.15 -4.98 116.67 117.44 3jrm s ASP 166 Ca 0.00 -0.68 0.27 0.00 0.43 0.00 0.00 52.55 52.57 3jrm s ASP 166 Cb 0.00 -1.03 0.85 0.00 -0.30 0.00 0.00 42.92 42.43 3jrm s ASP 166 CO 0.00 -0.15 1.77 0.77 -0.17 0.00 0.00 175.17 177.39 3jrm h SER 167 N 8.07 0.00 0.80 -0.34 4.64 -1.86 -1.93 113.55 122.94 3jrm h SER 167 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3jrm h SER 167 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3jrm h SER 167 CO 0.44 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.40 3jrm n ALA 168 N -1.95 2.29 -2.58 5.18 0.00 -1.26 -4.75 120.51 117.44 3jrm n ALA 168 Ca 0.03 -0.11 -0.32 0.00 0.00 0.00 0.00 53.44 53.04 3jrm n ALA 168 Cb 0.39 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 18.29 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 -2.86 4.56 0.00 0.00 0.01 -0.72 -1.82 113.70 112.86 3jrm s SER 169 Ca 0.18 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.28 3jrm s SER 169 Cb 0.18 -1.05 0.00 0.00 0.21 0.00 0.00 66.02 65.36 3jrm s SER 169 CO 0.47 0.29 0.00 0.61 0.41 0.00 0.00 173.24 175.02 3jrm n GLY 170 N 1.62 0.12 0.60 3.44 0.00 -1.26 -4.74 105.19 104.97 3jrm n GLY 170 Ca -0.16 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.39 -2.55 3.76 -0.02 0.00 -1.26 -1.26 105.19 103.47 3jrm n GLY 171 Ca 0.00 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.34 4.34 0.25 1.61 1.75 -1.26 -4.65 119.30 121.00 3jrm s MET 172 Ca 0.00 2.22 -0.29 0.00 -1.25 0.00 0.00 55.69 56.37 3jrm s MET 172 Cb 0.00 -3.09 -0.09 0.00 2.84 0.00 0.00 34.83 34.49 3jrm s MET 172 CO 0.00 -0.24 0.94 0.42 -0.65 0.00 0.00 175.02 175.49 3jrm s ILE 173 N -0.79 4.08 -0.11 10.11 1.01 -1.26 -3.82 121.20 130.42 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 -0.40 -4.28 0.02 0.00 0.01 0.00 0.00 42.46 37.82 3jrm s ILE 173 CO 0.50 0.45 -0.08 -0.62 0.00 0.00 0.00 174.94 175.18 3jrm s ASP 174 N -1.23 2.16 -0.03 3.58 2.15 -0.49 -4.99 116.67 117.82 3jrm s ASP 174 Ca 0.42 -0.31 0.03 0.00 0.43 0.00 0.00 52.55 53.13 3jrm s ASP 174 Cb -0.25 -0.86 -0.00 0.00 -0.30 0.00 0.00 42.92 41.51 3jrm s ASP 174 CO 0.31 -0.10 -0.13 -0.69 -0.17 0.00 0.00 175.17 174.39 3jrm s VAL 175 N 1.58 1.08 -0.03 1.11 1.01 -1.26 -1.67 120.40 122.22 3jrm s VAL 175 Ca 0.03 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.53 3jrm s VAL 175 Cb -0.13 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 3jrm s VAL 175 CO -0.07 0.32 -0.19 0.00 0.00 0.00 0.00 175.10 175.16 3jrm s ALA 176 N 0.03 1.65 -0.09 5.51 0.00 -0.02 -0.60 121.76 128.23 3jrm s ALA 176 Ca -0.02 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.17 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 0.35 -0.16 0.08 0.00 0.00 0.00 175.76 176.04 3jrm s VAL 177 N -0.22 2.88 -0.21 0.00 1.01 0.21 -1.40 120.40 122.66 3jrm s VAL 177 Ca 0.02 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.25 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 0.56 -0.14 -0.63 0.00 0.00 0.00 175.10 174.90 3jrm s ILE 178 N -0.16 1.95 0.12 2.22 1.01 0.87 -0.92 121.20 126.29 3jrm s ILE 178 Ca -0.01 -1.19 0.05 0.00 0.00 0.00 0.00 60.65 59.50 3jrm s ILE 178 Cb -0.14 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 3jrm s ILE 178 CO 0.03 0.23 -0.13 0.42 0.00 0.00 0.00 174.94 175.49 3jrm s THR 179 N 1.26 1.25 0.22 2.92 -4.23 -0.82 -1.80 115.64 114.45 3jrm s THR 179 Ca -0.02 -1.73 -0.08 0.00 -1.18 0.00 0.00 61.69 58.68 3jrm s THR 179 Cb -0.16 -1.52 0.18 0.00 1.34 0.00 0.00 72.50 72.34 3jrm s THR 179 CO -0.09 -0.47 1.87 -0.09 -0.54 0.00 0.00 174.62 175.31 3jrm h ARG 180 N 3.47 0.99 0.15 3.99 9.65 -1.87 0.43 114.38 131.19 3jrm h ARG 180 Ca -0.39 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.42 3jrm h ARG 180 Cb 1.19 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 29.55 3jrm h ARG 180 CO 0.52 0.66 -0.07 -0.22 2.80 0.00 0.00 179.97 183.65 3jrm h LYS 181 N 1.02 -0.20 -0.01 0.20 3.64 -1.96 -3.34 116.57 115.93 3jrm h LYS 181 Ca 0.31 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3jrm h LYS 181 Cb -0.03 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3jrm h LYS 181 CO -0.10 0.02 -0.01 -0.25 -2.27 0.00 0.00 179.45 176.84 3jrm n ASP 182 N -5.10 1.91 0.00 4.20 8.00 -1.22 -5.10 116.55 119.23 3jrm n ASP 182 Ca -0.09 -1.45 0.00 0.00 0.71 0.00 0.00 54.79 53.96 3jrm n ASP 182 Cb 0.17 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 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 0.64 0.01 3.60 0.44 0.00 0.15 -4.54 105.19 105.49 3jrm n GLY 183 Ca 0.06 -0.96 -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 2.86 -0.17 1.61 6.14 -1.19 -1.94 117.35 124.66 3jrm s TYR 184 Ca 0.00 0.71 -0.02 0.00 0.64 0.00 0.00 57.07 58.40 3jrm s TYR 184 Cb 0.00 -4.30 -0.01 0.00 0.42 0.00 0.00 41.96 38.07 3jrm s TYR 184 CO 0.00 -1.20 -0.09 0.08 0.64 0.00 0.00 175.55 174.98 3jrm s VAL 185 N 4.27 3.14 -0.27 3.14 1.01 -0.10 -4.99 120.40 126.60 3jrm s VAL 185 Ca 0.46 -0.60 -0.23 0.00 0.00 0.00 0.00 61.98 61.61 3jrm s VAL 185 Cb -0.08 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 3jrm s VAL 185 CO 0.29 0.48 0.76 -1.58 0.00 0.00 0.00 175.10 175.06 3jrm s GLN 186 N 0.92 4.07 0.44 2.72 0.74 -1.26 -0.62 119.66 126.67 3jrm s GLN 186 Ca -0.02 0.70 -0.26 0.00 0.05 0.00 0.00 55.36 55.83 3jrm s GLN 186 Cb -0.15 -3.68 -0.09 0.00 1.10 0.00 0.00 33.01 30.19 3jrm s GLN 186 CO -0.00 -0.56 1.44 1.28 -0.55 0.00 0.00 175.29 176.90 3jrm n LEU 187 N 6.01 5.05 -4.79 3.68 4.77 0.23 -4.98 117.00 126.96 3jrm n LEU 187 Ca 0.03 1.13 -0.32 0.00 -0.03 0.00 0.00 56.01 56.82 3jrm n LEU 187 Cb 0.48 -1.60 0.04 0.00 -2.33 0.00 0.00 43.42 40.00 3jrm n LEU 187 CO 0.47 -0.12 0.72 -2.84 -1.33 0.00 0.00 177.39 174.29 3jrm s PRO 188 N -2.39 3.01 0.18 3.23 0.02 -1.26 -4.70 135.00 133.08 3jrm s PRO 188 Ca 0.60 1.19 -0.12 0.00 0.02 0.00 0.00 61.00 62.69 3jrm s PRO 188 Cb -0.45 -1.99 0.10 0.00 0.02 0.00 0.00 34.50 32.17 3jrm s PRO 188 CO 0.58 -1.06 1.82 1.15 -0.33 0.00 0.00 177.00 179.17 3jrm h THR 189 N -0.06 1.18 -0.70 0.99 2.02 -1.95 -2.39 112.91 112.00 3jrm h THR 189 Ca -0.46 -0.40 0.14 0.00 0.77 0.00 0.00 66.41 66.46 3jrm h THR 189 Cb 1.23 0.33 -0.13 0.00 -1.74 0.00 0.00 68.15 67.83 3jrm h THR 189 CO 0.56 0.18 -0.21 0.44 0.37 0.00 0.00 175.52 176.87 3jrm h ASP 190 N 0.84 -0.76 -0.40 4.18 5.19 -1.99 -1.04 116.42 122.43 3jrm h ASP 190 Ca 0.22 0.22 -0.12 0.00 -0.62 0.00 0.00 57.03 56.73 3jrm h ASP 190 Cb -0.03 0.47 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 3jrm h ASP 190 CO -0.04 -0.25 -0.21 -0.61 -3.12 0.00 0.00 179.24 175.01 3jrm h GLN 191 N -0.03 0.85 0.28 3.56 4.15 -1.83 -0.23 115.11 121.87 3jrm h GLN 191 Ca 0.33 -0.38 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 3jrm h GLN 191 Cb 0.53 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.20 3jrm h GLN 191 CO -0.74 1.02 -0.13 0.82 -1.93 0.00 0.00 178.83 177.87 3jrm h ILE 192 N 0.67 0.77 -0.64 2.39 2.04 -1.10 -2.26 117.51 119.38 3jrm h ILE 192 Ca 0.09 -0.36 0.13 0.00 1.00 0.00 0.00 64.86 65.72 3jrm h ILE 192 Cb 0.77 0.97 -0.10 0.00 -0.74 0.00 0.00 36.82 37.73 3jrm h ILE 192 CO 0.06 0.08 0.12 -0.33 0.00 0.00 0.00 178.15 178.08 3jrm h GLU 193 N -0.56 0.23 -0.40 2.37 5.08 -1.15 -0.82 114.58 119.33 3jrm h GLU 193 Ca -0.04 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.39 3jrm h GLU 193 Cb 0.41 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.53 3jrm h GLU 193 CO 0.06 0.15 -0.09 1.03 -1.00 0.00 0.00 179.01 179.17 3jrm h SER 194 N 0.24 -0.34 0.48 1.42 0.87 -0.92 -1.42 113.55 113.88 3jrm h SER 194 Ca 0.34 0.12 -0.09 0.00 -1.23 0.00 0.00 61.79 60.93 3jrm h SER 194 Cb 0.54 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 3jrm h SER 194 CO -0.45 -0.12 -0.41 0.03 -0.53 0.00 0.00 176.83 175.34 3jrm h ARG 195 N 0.01 0.00 -0.51 2.24 3.08 -0.67 -0.95 114.38 117.59 3jrm h ARG 195 Ca 0.20 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 3jrm h ARG 195 Cb 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3jrm h ARG 195 CO -0.40 0.41 0.28 0.82 -1.07 0.00 0.00 179.97 180.01 3jrm h ILE 196 N 0.00 1.18 0.76 2.04 2.04 -0.44 0.04 117.51 123.12 3jrm h ILE 196 Ca -0.00 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 3jrm h ILE 196 Cb 0.77 0.55 0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3jrm h ILE 196 CO 0.05 0.19 -0.36 0.03 0.00 0.00 0.00 178.15 178.06 3jrm h ARG 197 N 0.68 -0.98 -0.71 2.37 3.08 -0.95 -1.54 114.38 116.33 3jrm h ARG 197 Ca 0.18 0.07 0.18 0.00 0.07 0.00 0.00 59.98 60.48 3jrm h ARG 197 Cb 0.06 0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 3jrm h ARG 197 CO -0.03 -0.63 0.50 -0.22 -1.07 0.00 0.00 179.97 178.51 3jrm h LYS 198 N -1.11 0.13 -0.00 0.04 3.64 -1.12 0.31 116.57 118.46 3jrm h LYS 198 Ca -0.10 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3jrm h LYS 198 Cb 0.79 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3jrm h LYS 198 CO 0.17 0.09 -0.40 1.28 -2.27 0.00 0.00 179.45 178.31 3jrm n LEU 199 N -4.39 0.46 -2.14 5.20 4.77 -0.01 -5.01 117.00 115.88 3jrm n LEU 199 Ca 0.14 0.06 -0.02 0.00 -0.03 0.00 0.00 56.01 56.16 3jrm n LEU 199 Cb 0.69 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3jrm n LEU 199 CO 0.36 0.11 0.09 0.61 -1.33 0.00 0.00 177.39 177.23 3jrm n GLY 200 N 1.48 -0.83 0.00 -0.72 0.00 0.11 -5.07 105.19 100.17 3jrm n GLY 200 Ca 0.06 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.91 0.00 0.00 0.99 4.77 -0.86 -5.03 117.00 115.96 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 0.22 0.00 0.00 -0.38 -1.33 0.00 0.00 177.39 175.90 3jrm n ILE 202 N 0.00 0.00 0.00 -0.08 5.41 -1.26 -4.92 119.36 118.51 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