#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 0.55 0.13 12.58 2.01 -1.26 -1.29 115.64 128.37 3jrm s THR 2 Ca 0.00 -0.01 0.08 0.00 0.31 0.00 0.00 61.69 62.07 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 -0.20 0.42 -0.69 0.00 0.00 174.62 174.43 3jrm s THR 3 N 1.75 1.79 0.01 -0.82 -4.23 -0.23 -2.30 115.64 111.61 3jrm s THR 3 Ca 0.02 -1.73 -0.03 0.00 -1.18 0.00 0.00 61.69 58.77 3jrm s THR 3 Cb -0.13 -1.71 -0.01 0.00 1.34 0.00 0.00 72.50 71.99 3jrm s THR 3 CO -0.05 -0.17 0.04 0.54 -0.54 0.00 0.00 174.62 174.44 3jrm s VAL 4 N -1.57 0.09 -0.04 2.29 0.11 0.49 -1.32 120.40 120.46 3jrm s VAL 4 Ca 0.11 -0.76 -0.01 0.00 -2.93 0.00 0.00 61.98 58.39 3jrm s VAL 4 Cb -0.08 -0.31 0.03 0.00 -1.53 0.00 0.00 36.38 34.49 3jrm s VAL 4 CO 0.05 -0.42 0.07 -0.83 -3.33 0.00 0.00 175.10 170.65 3jrm s GLY 5 N -1.32 0.09 0.18 6.54 0.00 -0.35 -1.13 107.32 111.33 3jrm s GLY 5 Ca -0.14 0.39 0.08 0.00 0.00 0.00 0.00 44.72 45.05 3jrm s GLY 5 CO 0.00 0.94 -0.17 -0.26 0.00 0.00 0.00 173.10 173.62 3jrm s ILE 6 N 1.36 1.76 0.03 0.90 -4.36 0.03 -1.17 121.20 119.76 3jrm s ILE 6 Ca -0.06 -2.01 0.07 0.00 -0.26 0.00 0.00 60.65 58.39 3jrm s ILE 6 Cb -0.12 -1.89 -0.03 0.00 1.25 0.00 0.00 42.46 41.66 3jrm s ILE 6 CO -0.04 -0.42 -0.17 0.42 0.24 0.00 0.00 174.94 174.97 3jrm s THR 7 N -2.38 2.84 0.14 8.37 -4.23 -0.43 -1.58 115.64 118.36 3jrm s THR 7 Ca 0.18 -1.14 0.01 0.00 -1.18 0.00 0.00 61.69 59.56 3jrm s THR 7 Cb -0.04 -2.19 -0.00 0.00 1.34 0.00 0.00 72.50 71.61 3jrm s THR 7 CO 0.07 0.36 0.03 0.18 -0.54 0.00 0.00 174.62 174.71 3jrm n LEU 8 N 1.60 0.00 -0.18 4.79 4.77 -0.63 -4.92 117.00 122.43 3jrm n LEU 8 Ca -0.16 -0.99 -0.06 0.00 -0.03 0.00 0.00 56.01 54.77 3jrm n LEU 8 Cb 0.52 0.27 0.04 0.00 -2.33 0.00 0.00 43.42 41.92 3jrm n LEU 8 CO 0.27 -0.15 1.07 0.11 -1.33 0.00 0.00 177.39 177.36 3jrm h LYS 9 N 0.00 0.62 -0.19 3.23 1.57 -1.84 -3.23 116.57 116.73 3jrm h LYS 9 Ca -0.11 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.44 3jrm h LYS 9 Cb 0.39 -0.14 -0.29 0.00 0.08 0.00 0.00 32.23 32.27 3jrm h LYS 9 CO 0.18 0.41 -0.88 -0.25 -0.57 0.00 0.00 179.45 178.34 3jrm n ASP 10 N -4.78 1.85 -3.69 0.86 10.43 -1.26 -4.71 116.55 115.25 3jrm n ASP 10 Ca 0.04 -2.77 -0.10 0.00 2.57 0.00 0.00 54.79 54.52 3jrm n ASP 10 Cb 0.07 -0.40 -0.05 0.00 1.84 0.00 0.00 41.12 42.58 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 -2.13 -0.81 -0.04 2.24 0.00 -1.22 -4.45 121.76 115.35 3jrm s ALA 11 Ca 0.36 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.16 3jrm s ALA 11 Cb 0.37 0.70 0.01 0.00 0.00 0.00 0.00 23.12 24.20 3jrm s ALA 11 CO -0.09 -0.65 -0.07 0.08 0.00 0.00 0.00 175.76 175.04 3jrm s VAL 12 N -3.83 0.67 -0.09 0.00 1.01 -0.71 -1.60 120.40 115.85 3jrm s VAL 12 Ca 0.05 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.81 3jrm s VAL 12 Cb 0.02 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 3jrm s VAL 12 CO -0.10 0.23 -0.19 -0.63 0.00 0.00 0.00 175.10 174.41 3jrm s ILE 13 N 0.55 2.54 -0.02 2.22 1.01 -0.61 -0.50 121.20 126.40 3jrm s ILE 13 Ca -0.08 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.74 3jrm s ILE 13 Cb -0.12 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 3jrm s ILE 13 CO 0.01 0.55 -0.12 -0.04 0.00 0.00 0.00 174.94 175.34 3jrm s MET 14 N 0.06 1.05 0.05 2.79 -1.94 -0.45 -0.79 119.30 120.07 3jrm s MET 14 Ca -0.08 -0.43 -0.12 0.00 -1.71 0.00 0.00 55.69 53.36 3jrm s MET 14 Cb -0.15 -1.00 0.01 0.00 2.01 0.00 0.00 34.83 35.70 3jrm s MET 14 CO 0.05 0.23 0.25 0.00 -0.01 0.00 0.00 175.02 175.55 3jrm s ALA 15 N -0.17 -0.51 0.25 3.03 0.00 -0.28 -0.62 121.76 123.46 3jrm s ALA 15 Ca 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 51.96 51.76 3jrm s ALA 15 Cb -0.06 0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 3jrm s ALA 15 CO -0.00 -0.42 0.30 0.95 0.00 0.00 0.00 175.76 176.59 3jrm s THR 16 N -2.80 0.00 0.14 0.00 -4.23 -0.77 -0.38 115.64 107.60 3jrm s THR 16 Ca -0.03 -1.77 0.01 0.00 -1.18 0.00 0.00 61.69 58.72 3jrm s THR 16 Cb 0.00 -2.44 0.01 0.00 1.34 0.00 0.00 72.50 71.41 3jrm s THR 16 CO -0.05 0.00 0.10 -1.84 -0.54 0.00 0.00 174.62 172.29 3jrm n GLU 17 N -0.39 1.29 -0.09 3.99 -0.00 -0.97 -1.53 120.64 122.93 3jrm n GLU 17 Ca 0.02 -0.85 0.02 0.00 -0.00 0.00 0.00 57.16 56.35 3jrm n GLU 17 Cb 0.64 0.09 0.03 0.00 -0.00 0.00 0.00 31.44 32.19 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 -0.83 1.31 -2.79 3.44 1.74 -0.82 -4.57 116.66 114.15 3jrm n ARG 18 Ca -0.00 -1.34 -0.40 0.00 -0.77 0.00 0.00 57.85 55.34 3jrm n ARG 18 Cb 0.15 -0.87 -0.05 0.00 -1.02 0.00 0.00 32.46 30.67 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 -0.91 4.74 -0.16 5.56 3.52 -0.67 -0.83 118.95 130.19 3jrm s ARG 19 Ca 0.06 1.41 0.01 0.00 -0.13 0.00 0.00 55.73 57.07 3jrm s ARG 19 Cb 0.05 -3.32 0.02 0.00 -1.56 0.00 0.00 34.95 30.15 3jrm s ARG 19 CO 0.01 0.39 -0.15 0.08 -0.81 0.00 0.00 175.30 174.81 3jrm s VAL 20 N -0.62 1.71 0.13 7.11 1.01 0.69 -4.78 120.40 125.65 3jrm s VAL 20 Ca 0.43 -0.77 0.10 0.00 0.00 0.00 0.00 61.98 61.74 3jrm s VAL 20 Cb -0.24 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3jrm s VAL 20 CO 0.30 0.44 -0.21 0.42 0.00 0.00 0.00 175.10 176.05 3jrm s THR 21 N 1.42 2.66 -0.52 3.92 -4.23 -1.26 -1.88 115.64 115.75 3jrm s THR 21 Ca 0.04 -1.60 -0.03 0.00 -1.18 0.00 0.00 61.69 58.92 3jrm s THR 21 Cb -0.13 -2.21 0.14 0.00 1.34 0.00 0.00 72.50 71.63 3jrm s THR 21 CO -0.11 0.08 0.32 -0.32 -0.54 0.00 0.00 174.62 174.06 3jrm s MET 22 N -2.15 2.28 7.21 3.99 -2.45 -0.41 -4.91 119.30 122.86 3jrm s MET 22 Ca 0.17 -2.18 0.00 0.00 -1.25 0.00 0.00 55.69 52.43 3jrm s MET 22 Cb -0.10 -3.66 0.00 0.00 1.25 0.00 0.00 34.83 32.32 3jrm s MET 22 CO 0.09 -1.12 0.00 -1.91 1.05 0.00 0.00 175.02 173.12 3jrm n GLU 23 N 4.03 0.00 0.04 4.11 4.07 -1.26 -2.41 120.64 129.22 3jrm n GLU 23 Ca 0.03 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.26 3jrm n GLU 23 Cb 0.39 0.00 0.43 0.00 -0.06 0.00 0.00 31.44 32.20 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 7.34 0.41 -4.57 4.31 0.23 -1.26 -4.84 115.26 116.88 3jrm n ASN 24 Ca 0.00 0.31 -0.43 0.00 -0.53 0.00 0.00 54.58 53.93 3jrm n ASN 24 Cb 0.00 -0.32 -0.03 0.00 -2.08 0.00 0.00 39.78 37.34 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 -3.05 2.79 -0.87 -2.53 2.19 -1.01 -4.99 117.98 110.51 3jrm s PHE 25 Ca 0.11 0.36 -0.25 0.00 0.33 0.00 0.00 56.93 57.48 3jrm s PHE 25 Cb 0.16 -4.23 -0.00 0.00 -1.31 0.00 0.00 43.02 37.64 3jrm s PHE 25 CO 0.61 -1.32 1.71 0.42 1.83 0.00 0.00 175.22 178.46 3jrm s ILE 26 N 4.25 3.60 0.07 3.12 1.01 -1.26 -1.28 121.20 130.71 3jrm s ILE 26 Ca 0.39 -0.29 -0.08 0.00 0.00 0.00 0.00 60.65 60.67 3jrm s ILE 26 Cb -0.09 -4.41 -0.29 0.00 0.01 0.00 0.00 42.46 37.67 3jrm s ILE 26 CO 0.25 -1.34 1.12 0.24 0.00 0.00 0.00 174.94 175.21 3jrm h MET 27 N 11.33 0.36 -3.90 2.79 2.86 -1.73 -3.45 114.93 123.19 3jrm h MET 27 Ca 0.02 -0.59 -0.38 0.00 -2.06 0.00 0.00 59.70 56.69 3jrm h MET 27 Cb 1.04 0.22 -0.34 0.00 0.06 0.00 0.00 31.60 32.58 3jrm h MET 27 CO 1.28 1.27 -0.76 -1.01 1.06 0.00 0.00 176.91 178.76 3jrm s HIS 28 N -2.70 0.56 -0.67 -0.22 3.76 -1.02 -5.03 115.29 109.97 3jrm s HIS 28 Ca -0.05 -0.12 0.24 0.00 -0.15 0.00 0.00 55.06 54.97 3jrm s HIS 28 Cb 0.06 -0.55 0.19 0.00 1.11 0.00 0.00 32.58 33.40 3jrm s HIS 28 CO 0.90 -0.16 1.17 1.63 -0.85 0.00 0.00 174.74 177.43 3jrm n LYS 29 N 4.05 0.25 -3.13 1.40 5.02 -1.26 -0.22 118.16 124.27 3jrm n LYS 29 Ca -0.26 0.03 -0.21 0.00 -2.02 0.00 0.00 58.31 55.84 3jrm n LYS 29 Cb 0.51 -1.61 -0.04 0.00 -0.02 0.00 0.00 35.03 33.86 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 -1.96 1.86 -4.90 4.39 3.02 -1.21 -4.22 115.26 112.23 3jrm n ASN 30 Ca 0.03 -3.18 -0.29 0.00 -0.03 0.00 0.00 54.58 51.11 3jrm n ASN 30 Cb 0.42 -0.61 0.07 0.00 -0.61 0.00 0.00 39.78 39.05 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 -2.59 1.62 -0.13 7.41 0.00 -0.01 -5.04 107.32 108.58 3jrm s GLY 31 Ca 0.42 -0.60 -0.01 0.00 0.00 0.00 0.00 44.72 44.53 3jrm s GLY 31 CO -0.10 -0.18 -0.10 1.25 0.00 0.00 0.00 173.10 173.97 3jrm s LYS 32 N -5.39 3.43 0.00 2.90 2.20 -1.26 -4.52 119.74 117.09 3jrm s LYS 32 Ca 0.59 -0.63 0.00 0.00 -0.36 0.00 0.00 55.97 55.57 3jrm s LYS 32 Cb -0.11 -2.71 0.00 0.00 -1.51 0.00 0.00 37.83 33.50 3jrm s LYS 32 CO 0.49 0.25 0.41 1.63 -0.36 0.00 0.00 175.35 177.77 3jrm n LYS 33 N 3.44 -0.29 -4.52 4.03 5.02 -1.26 -4.98 118.16 119.61 3jrm n LYS 33 Ca -0.18 -0.45 -0.27 0.00 -2.02 0.00 0.00 58.31 55.39 3jrm n LYS 33 Cb 0.53 -0.84 -0.17 0.00 -0.02 0.00 0.00 35.03 34.53 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 -0.10 1.67 -0.01 -0.35 2.96 -1.26 -1.31 118.68 120.29 3jrm s LEU 34 Ca 0.00 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 3jrm s LEU 34 Cb 0.00 -0.98 -0.00 0.00 0.50 0.00 0.00 46.19 45.70 3jrm s LEU 34 CO 0.00 0.02 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.65 3jrm s PHE 35 N 0.88 0.39 0.04 5.38 0.08 -0.13 -5.00 117.98 119.62 3jrm s PHE 35 Ca -0.10 -0.07 -0.30 0.00 0.12 0.00 0.00 56.93 56.58 3jrm s PHE 35 Cb -0.15 -0.26 -0.04 0.00 -0.57 0.00 0.00 43.02 41.99 3jrm s PHE 35 CO 0.01 -0.01 1.00 -1.14 -0.10 0.00 0.00 175.22 174.97 3jrm s GLN 36 N -0.04 4.59 0.00 0.44 0.74 -1.26 -0.92 119.66 123.21 3jrm s GLN 36 Ca 0.01 1.47 0.00 0.00 0.05 0.00 0.00 55.36 56.89 3jrm s GLN 36 Cb -0.02 -3.42 0.00 0.00 1.10 0.00 0.00 33.01 30.67 3jrm s GLN 36 CO -0.00 0.01 0.32 0.44 -0.55 0.00 0.00 175.29 175.51 3jrm n ILE 37 N 3.54 0.00 -3.86 -2.34 -5.35 -0.22 -4.94 119.36 106.19 3jrm n ILE 37 Ca 0.05 -0.43 -0.05 0.00 -0.27 0.00 0.00 62.75 62.05 3jrm n ILE 37 Cb 0.50 1.11 0.02 0.00 -1.74 0.00 0.00 39.64 39.53 3jrm n ILE 37 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3jrm s ASP 38 N -0.21 0.01 0.14 7.28 -1.08 -1.11 -4.53 116.67 117.17 3jrm s ASP 38 Ca 0.00 -0.84 -0.17 0.00 -0.52 0.00 0.00 52.55 51.01 3jrm s ASP 38 Cb 0.00 0.62 -0.00 0.00 -1.46 0.00 0.00 42.92 42.08 3jrm s ASP 38 CO 0.00 -1.23 1.79 0.74 0.52 0.00 0.00 175.17 176.99 3jrm h THR 39 N 2.00 1.06 -0.36 1.71 2.02 -1.98 -2.97 112.91 114.38 3jrm h THR 39 Ca -0.29 -0.15 -0.25 0.00 0.77 0.00 0.00 66.41 66.49 3jrm h THR 39 Cb 1.23 0.60 -0.19 0.00 -1.74 0.00 0.00 68.15 68.04 3jrm h THR 39 CO 0.38 0.08 -0.55 -1.22 0.37 0.00 0.00 175.52 174.58 3jrm n TYR 40 N -4.88 1.28 -4.31 3.16 4.01 -1.26 -3.10 117.16 112.06 3jrm n TYR 40 Ca -0.00 -1.84 -0.19 0.00 -0.16 0.00 0.00 57.90 55.71 3jrm n TYR 40 Cb 0.04 -0.34 -0.15 0.00 -0.31 0.00 0.00 39.34 38.58 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 -3.82 0.66 0.18 -0.72 2.01 -1.12 -1.74 115.64 111.08 3jrm s THR 41 Ca 0.44 -0.31 0.06 0.00 0.31 0.00 0.00 61.69 62.20 3jrm s THR 41 Cb 0.39 -0.58 -0.05 0.00 0.01 0.00 0.00 72.50 72.27 3jrm s THR 41 CO -0.02 0.21 -0.12 -0.83 -0.69 0.00 0.00 174.62 173.16 3jrm s GLY 42 N 0.12 1.25 -0.01 4.40 0.00 0.23 -1.06 107.32 112.26 3jrm s GLY 42 Ca -0.02 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.13 3jrm s GLY 42 CO 0.00 -1.67 0.00 -0.29 0.00 0.00 0.00 173.10 171.14 3jrm s MET 43 N -3.66 0.06 0.07 2.90 1.75 -0.10 -1.06 119.30 119.26 3jrm s MET 43 Ca 0.19 0.04 0.06 0.00 -1.25 0.00 0.00 55.69 54.74 3jrm s MET 43 Cb 0.01 -0.16 -0.04 0.00 2.84 0.00 0.00 34.83 37.48 3jrm s MET 43 CO 0.04 -0.05 -0.08 0.95 -0.65 0.00 0.00 175.02 175.22 3jrm s THR 44 N 0.40 3.48 -0.02 10.11 -4.23 -0.15 -0.95 115.64 124.28 3jrm s THR 44 Ca -0.03 -1.11 0.07 0.00 -1.18 0.00 0.00 61.69 59.44 3jrm s THR 44 Cb -0.05 -2.60 -0.02 0.00 1.34 0.00 0.00 72.50 71.17 3jrm s THR 44 CO -0.01 0.19 -0.23 0.27 -0.54 0.00 0.00 174.62 174.31 3jrm s ILE 45 N -1.16 1.81 0.03 2.99 -4.36 -0.43 -2.17 121.20 117.91 3jrm s ILE 45 Ca 0.20 -0.98 -0.01 0.00 -0.26 0.00 0.00 60.65 59.61 3jrm s ILE 45 Cb -0.11 -1.50 -0.03 0.00 1.25 0.00 0.00 42.46 42.07 3jrm s ILE 45 CO 0.12 0.51 -0.02 0.00 0.24 0.00 0.00 174.94 175.79 3jrm s ALA 46 N -0.52 0.26 0.00 2.27 0.00 -0.90 -4.87 121.76 117.99 3jrm s ALA 46 Ca 0.08 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.22 3jrm s ALA 46 Cb -0.09 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.23 3jrm s ALA 46 CO -0.01 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.91 3jrm n GLY 47 N 0.96 -0.19 3.69 0.00 0.00 -1.26 -1.71 105.19 106.68 3jrm n GLY 47 Ca -0.20 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 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 4.33 0.10 0.99 2.96 0.13 -4.90 118.68 122.29 3jrm s LEU 48 Ca 0.00 2.23 -0.20 0.00 -0.22 0.00 0.00 54.13 55.93 3jrm s LEU 48 Cb 0.00 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 43.04 3jrm s LEU 48 CO 0.00 -0.78 1.70 0.58 -1.32 0.00 0.00 176.35 176.53 3jrm h VAL 49 N 4.92 1.10 -0.13 1.68 2.07 -1.93 -1.74 116.25 122.23 3jrm h VAL 49 Ca -0.39 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 66.89 3jrm h VAL 49 Cb 1.18 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.88 3jrm h VAL 49 CO 0.91 0.10 -0.29 1.23 0.02 0.00 0.00 177.57 179.54 3jrm h GLY 50 N 0.17 -0.37 0.59 2.17 0.00 -1.99 0.48 103.07 104.13 3jrm h GLY 50 Ca 0.06 0.36 0.06 0.00 0.00 0.00 0.00 47.33 47.80 3jrm h GLY 50 CO -0.01 -0.21 0.15 -0.55 0.00 0.00 0.00 176.54 175.92 3jrm h ASP 51 N -0.36 0.16 -0.47 0.19 3.32 -1.91 -1.81 116.42 115.52 3jrm h ASP 51 Ca 0.10 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3jrm h ASP 51 Cb 0.51 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 3jrm h ASP 51 CO -0.33 0.12 0.30 0.00 -1.72 0.00 0.00 179.24 177.61 3jrm h ALA 52 N 1.29 0.60 -0.53 3.45 0.00 -0.77 -1.78 119.26 121.51 3jrm h ALA 52 Ca 0.21 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3jrm h ALA 52 Cb 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3jrm h ALA 52 CO -0.21 0.06 0.00 1.96 0.00 0.00 0.00 179.25 181.06 3jrm h GLN 53 N 0.63 0.94 -0.16 0.00 4.20 -0.61 0.31 115.11 120.43 3jrm h GLN 53 Ca 0.17 -0.30 0.04 0.00 0.06 0.00 0.00 58.65 58.62 3jrm h GLN 53 Cb -0.05 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.61 3jrm h GLN 53 CO -0.04 0.95 -0.09 0.28 -0.67 0.00 0.00 178.83 179.27 3jrm h VAL 54 N 0.81 0.73 -0.81 -0.54 2.07 -1.27 -2.22 116.25 115.02 3jrm h VAL 54 Ca 0.15 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.68 3jrm h VAL 54 Cb 0.53 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 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 -0.08 0.93 -0.34 2.57 3.38 -0.84 -1.05 115.31 119.88 3jrm h LEU 55 Ca 0.09 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3jrm h LEU 55 Cb 0.21 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3jrm h LEU 55 CO -0.21 0.68 0.17 0.58 0.09 0.00 0.00 178.44 179.75 3jrm h VAL 56 N 1.10 0.98 -0.42 1.22 2.07 -0.51 -0.42 116.25 120.27 3jrm h VAL 56 Ca 0.30 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 3jrm h VAL 56 Cb -0.13 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 3jrm h VAL 56 CO -0.06 0.06 0.19 0.03 0.02 0.00 0.00 177.57 177.81 3jrm h ARG 57 N 0.35 0.61 -0.43 1.57 3.08 -0.82 -0.99 114.38 117.74 3jrm h ARG 57 Ca 0.15 -0.10 0.06 0.00 0.07 0.00 0.00 59.98 60.15 3jrm h ARG 57 Cb 0.06 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 29.96 3jrm h ARG 57 CO -0.11 0.54 0.14 1.88 -1.07 0.00 0.00 179.97 181.36 3jrm h TYR 58 N 0.53 0.24 -0.54 3.04 0.99 -0.93 -1.24 116.97 119.07 3jrm h TYR 58 Ca 0.14 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.80 3jrm h TYR 58 Cb 0.14 -0.05 -0.02 0.00 1.00 0.00 0.00 36.73 37.81 3jrm h TYR 58 CO -0.01 0.08 -0.02 0.52 -0.00 0.00 0.00 178.16 178.74 3jrm h MET 59 N 0.30 0.96 -0.27 4.88 2.86 -0.78 0.28 114.93 123.15 3jrm h MET 59 Ca 0.20 -0.31 0.05 0.00 -2.06 0.00 0.00 59.70 57.58 3jrm h MET 59 Cb 0.20 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.73 3jrm h MET 59 CO -0.22 0.98 -0.05 0.87 1.06 0.00 0.00 176.91 179.55 3jrm h LYS 60 N 0.83 0.02 0.19 1.72 1.57 -0.98 -0.65 116.57 119.28 3jrm h LYS 60 Ca 0.15 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3jrm h LYS 60 Cb 0.56 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3jrm h LYS 60 CO 0.03 0.01 -0.09 0.00 -0.57 0.00 0.00 179.45 178.83 3jrm h ALA 61 N 1.27 -0.26 -0.24 3.86 0.00 -0.83 -1.63 119.26 121.43 3jrm h ALA 61 Ca 0.13 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3jrm h ALA 61 Cb 0.20 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3jrm h ALA 61 CO -0.27 -0.59 -0.18 1.49 0.00 0.00 0.00 179.25 179.71 3jrm h GLU 62 N -0.38 0.42 0.12 0.00 4.22 -0.30 -0.71 114.58 117.96 3jrm h GLU 62 Ca -0.03 -0.13 -0.28 0.00 0.08 0.00 0.00 59.36 59.01 3jrm h GLU 62 Cb 0.29 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.51 3jrm h GLU 62 CO 0.04 0.59 -1.21 -0.07 -2.18 0.00 0.00 179.01 176.18 3jrm h LEU 63 N 0.39 0.57 -0.39 1.64 3.38 -1.09 -1.56 115.31 118.24 3jrm h LEU 63 Ca 0.07 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 3jrm h LEU 63 Cb 0.54 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3jrm h LEU 63 CO 0.04 1.41 0.22 -0.08 0.09 0.00 0.00 178.44 180.11 3jrm h GLU 64 N 0.14 0.54 -0.16 1.13 4.81 -0.97 -1.47 114.58 118.60 3jrm h GLU 64 Ca -0.15 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 3jrm h GLU 64 Cb 1.91 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 31.17 3jrm h GLU 64 CO 0.21 0.43 0.11 1.25 -0.73 0.00 0.00 179.01 180.28 3jrm h LEU 65 N 0.50 0.18 -0.68 1.64 5.85 -1.15 -2.41 115.31 119.24 3jrm h LEU 65 Ca 0.14 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.93 3jrm h LEU 65 Cb 0.05 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 3jrm h LEU 65 CO -0.02 0.13 0.36 0.22 -0.34 0.00 0.00 178.44 178.79 3jrm h TYR 66 N 0.22 0.65 -0.77 1.25 5.03 -1.13 -1.59 116.97 120.64 3jrm h TYR 66 Ca 0.06 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.34 3jrm h TYR 66 Cb -0.02 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.03 3jrm h TYR 66 CO -0.07 0.28 0.27 -0.09 -1.32 0.00 0.00 178.16 177.24 3jrm h ARG 67 N 0.64 1.17 -0.30 1.82 2.43 -1.07 0.14 114.38 119.21 3jrm h ARG 67 Ca 0.32 -0.23 -0.15 0.00 -0.81 0.00 0.00 59.98 59.11 3jrm h ARG 67 Cb 0.26 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3jrm h ARG 67 CO -0.22 0.97 -0.42 -0.07 -1.51 0.00 0.00 179.97 178.72 3jrm h LEU 68 N 1.13 0.80 -0.41 3.80 3.38 -1.09 0.31 115.31 123.22 3jrm h LEU 68 Ca 0.25 -0.37 -0.18 0.00 0.09 0.00 0.00 57.88 57.67 3jrm h LEU 68 Cb 0.26 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3jrm h LEU 68 CO -0.01 1.11 -0.72 1.56 0.09 0.00 0.00 178.44 180.46 3jrm h GLN 69 N 0.60 0.40 0.00 1.13 4.20 -0.94 -3.34 115.11 117.17 3jrm h GLN 69 Ca 0.04 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.43 3jrm h GLN 69 Cb 0.97 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.82 3jrm h GLN 69 CO 0.09 0.97 -1.88 0.54 -0.67 0.00 0.00 178.83 177.88 3jrm n ARG 70 N -3.84 0.61 -1.08 1.46 3.00 0.45 -4.98 116.66 112.28 3jrm n ARG 70 Ca -0.04 -0.18 -0.03 0.00 -0.01 0.00 0.00 57.85 57.59 3jrm n ARG 70 Cb 0.70 -1.48 -0.01 0.00 0.00 0.00 0.00 32.46 31.68 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 -2.17 -1.45 -4.14 5.56 1.74 0.11 -4.98 116.66 111.33 3jrm n ARG 71 Ca -0.03 0.49 -0.15 0.00 -0.77 0.00 0.00 57.85 57.39 3jrm n ARG 71 Cb 0.52 -4.64 -0.11 0.00 -1.02 0.00 0.00 32.46 27.21 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 -1.47 0.87 0.51 1.55 -7.23 -1.24 -5.04 120.40 108.35 3jrm s VAL 72 Ca 0.00 -1.42 -0.21 0.00 -1.81 0.00 0.00 61.98 58.54 3jrm s VAL 72 Cb 0.00 -1.10 -0.06 0.00 0.56 0.00 0.00 36.38 35.78 3jrm s VAL 72 CO 0.00 -0.44 1.20 0.20 -0.31 0.00 0.00 175.10 175.75 3jrm s ASN 73 N -2.06 5.78 0.23 4.85 -0.87 -1.26 -4.22 114.94 117.39 3jrm s ASN 73 Ca -0.00 2.37 -0.31 0.00 -1.57 0.00 0.00 52.86 53.34 3jrm s ASN 73 Cb -0.06 -2.60 -0.11 0.00 -0.02 0.00 0.00 41.25 38.45 3jrm s ASN 73 CO 0.01 -1.19 1.64 -0.32 -2.57 0.00 0.00 177.10 174.67 3jrm s MET 74 N -2.95 4.14 0.50 -0.60 -2.45 -1.26 -4.95 119.30 111.73 3jrm s MET 74 Ca 0.69 2.55 -0.23 0.00 -1.25 0.00 0.00 55.69 57.45 3jrm s MET 74 Cb -0.30 -3.07 -0.07 0.00 1.25 0.00 0.00 34.83 32.64 3jrm s MET 74 CO 0.35 -0.68 1.23 -2.30 1.05 0.00 0.00 175.02 174.68 3jrm n PRO 75 N 3.31 1.63 -0.23 4.11 -0.02 -1.26 -4.83 135.00 137.72 3jrm n PRO 75 Ca 0.13 0.59 -0.06 0.00 -2.02 0.00 0.00 63.50 62.14 3jrm n PRO 75 Cb 0.37 -2.39 0.04 0.00 -0.02 0.00 0.00 33.50 31.50 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 1.55 1.19 -0.20 4.25 1.08 -1.92 0.69 117.51 124.14 3jrm h ILE 76 Ca -0.49 -0.41 0.02 0.00 -0.39 0.00 0.00 64.86 63.60 3jrm h ILE 76 Cb 1.31 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 35.34 3jrm h ILE 76 CO 0.57 0.19 0.14 -0.08 -0.69 0.00 0.00 178.15 178.28 3jrm h GLU 77 N 0.88 0.16 -0.46 2.37 4.81 -1.98 -1.62 114.58 118.73 3jrm h GLU 77 Ca 0.23 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.33 3jrm h GLU 77 Cb -0.03 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3jrm h GLU 77 CO -0.04 0.11 -0.19 0.00 -0.73 0.00 0.00 179.01 178.15 3jrm h ALA 78 N 1.89 0.79 -0.49 2.92 0.00 -1.25 -0.18 119.26 122.93 3jrm h ALA 78 Ca 0.08 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3jrm h ALA 78 Cb 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3jrm h ALA 78 CO -0.01 0.66 0.21 0.28 0.00 0.00 0.00 179.25 180.38 3jrm h VAL 79 N 0.80 1.20 -0.68 0.00 2.07 -0.40 0.71 116.25 119.95 3jrm h VAL 79 Ca 0.11 -0.60 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 3jrm h VAL 79 Cb 0.74 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3jrm h VAL 79 CO 0.06 0.23 0.16 0.00 0.02 0.00 0.00 177.57 178.04 3jrm h ALA 80 N 1.05 0.98 -0.45 1.67 0.00 -1.26 -1.58 119.26 119.68 3jrm h ALA 80 Ca 0.16 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3jrm h ALA 80 Cb 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3jrm h ALA 80 CO -0.02 0.65 -0.16 1.15 0.00 0.00 0.00 179.25 180.88 3jrm h THR 81 N 1.04 1.27 -0.03 0.00 2.02 -0.58 -0.26 112.91 116.36 3jrm h THR 81 Ca 0.21 -1.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.12 3jrm h THR 81 Cb 0.37 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3jrm h THR 81 CO 0.00 0.43 0.02 0.25 0.37 0.00 0.00 175.52 176.59 3jrm h LEU 82 N 0.76 0.04 -0.95 2.58 5.85 -0.67 -1.56 115.31 121.36 3jrm h LEU 82 Ca 0.12 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3jrm h LEU 82 Cb 0.68 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 3jrm h LEU 82 CO 0.05 0.14 0.58 -0.07 -0.34 0.00 0.00 178.44 178.80 3jrm h LEU 83 N -0.06 1.14 0.04 2.25 3.38 -1.16 -1.48 115.31 119.42 3jrm h LEU 83 Ca 0.01 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3jrm h LEU 83 Cb 0.11 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 3jrm h LEU 83 CO -0.00 0.87 -0.42 -1.28 0.09 0.00 0.00 178.44 177.69 3jrm h SER 84 N 1.31 -1.28 -0.76 -0.43 0.87 -0.87 -0.91 113.55 111.49 3jrm h SER 84 Ca 0.34 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 61.06 3jrm h SER 84 Cb -0.07 0.49 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 3jrm h SER 84 CO -0.07 -0.47 0.49 0.78 -0.53 0.00 0.00 176.83 177.03 3jrm h ASN 85 N -0.61 0.89 -0.47 6.23 2.35 -0.93 -1.69 115.58 121.35 3jrm h ASN 85 Ca 0.04 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 3jrm h ASN 85 Cb 0.67 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 3jrm h ASN 85 CO -0.29 0.66 0.13 0.24 -1.65 0.00 0.00 177.43 176.52 3jrm h MET 86 N 1.04 0.74 -0.06 0.81 2.86 -0.87 -1.22 114.93 118.23 3jrm h MET 86 Ca 0.28 -0.17 -0.25 0.00 -2.06 0.00 0.00 59.70 57.50 3jrm h MET 86 Cb -0.10 -0.10 0.02 0.00 0.06 0.00 0.00 31.60 31.48 3jrm h MET 86 CO -0.06 0.71 -0.95 -0.07 1.06 0.00 0.00 176.91 177.61 3jrm h LEU 87 N 0.63 0.93 -0.69 1.22 4.07 -1.08 -3.16 115.31 117.23 3jrm h LEU 87 Ca 0.15 -0.70 -0.12 0.00 0.08 0.00 0.00 57.88 57.29 3jrm h LEU 87 Cb 0.29 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 3jrm h LEU 87 CO -0.00 1.50 -0.29 -1.13 -1.08 0.00 0.00 178.44 177.44 3jrm h ASN 88 N 0.45 0.72 -0.95 -0.43 -0.73 -1.29 -2.65 115.58 110.70 3jrm h ASN 88 Ca -0.10 -0.28 0.20 0.00 1.87 0.00 0.00 56.30 57.99 3jrm h ASN 88 Cb 1.60 -0.20 -0.08 0.00 0.27 0.00 0.00 38.32 39.90 3jrm h ASN 88 CO 0.19 0.97 0.61 1.56 -0.37 0.00 0.00 177.43 180.39 3jrm h GLN 89 N 0.60 0.54 -0.65 6.67 4.20 -1.19 -1.80 115.11 123.48 3jrm h GLN 89 Ca 0.07 -0.03 -0.42 0.00 0.06 0.00 0.00 58.65 58.33 3jrm h GLN 89 Cb 0.79 -0.12 -0.26 0.00 0.30 0.00 0.00 27.48 28.19 3jrm h GLN 89 CO 0.07 0.35 -0.08 1.33 -0.67 0.00 0.00 178.83 179.83 3jrm n VAL 90 N -4.61 2.82 0.15 -0.54 0.24 -1.01 -4.81 118.33 110.56 3jrm n VAL 90 Ca 0.21 -3.24 0.06 0.00 -2.04 0.00 0.00 64.34 59.33 3jrm n VAL 90 Cb 0.66 -0.77 0.54 0.00 -1.47 0.00 0.00 33.84 32.79 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 1.60 0.22 0.00 7.34 2.10 -1.15 -0.82 116.57 125.85 3jrm h LYS 91 Ca 0.37 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 59.01 3jrm h LYS 91 Cb 1.48 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.77 3jrm h LYS 91 CO 0.81 0.17 -0.15 0.66 -2.00 0.00 0.00 179.45 178.94 3jrm n TYR 92 N -4.49 0.01 -3.14 0.07 4.02 -1.26 -3.77 117.16 108.60 3jrm n TYR 92 Ca -0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.69 3jrm n TYR 92 Cb 0.10 -0.43 -0.03 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 -1.51 1.36 -1.69 -0.72 2.81 -0.37 -5.13 117.12 111.86 3jrm n MET 93 Ca 0.07 -3.63 -0.31 0.00 -1.81 0.00 0.00 57.70 52.02 3jrm n MET 93 Cb 0.34 -1.79 0.04 0.00 -0.71 0.00 0.00 33.22 31.09 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 -2.61 3.12 -0.34 0.03 0.04 -0.86 -4.92 135.00 129.46 3jrm s PRO 94 Ca 0.41 0.84 -0.29 0.00 0.04 0.00 0.00 61.00 62.00 3jrm s PRO 94 Cb 0.34 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.86 3jrm s PRO 94 CO -0.09 -0.94 1.45 0.71 0.04 0.00 0.00 177.00 178.17 3jrm s TYR 95 N -3.12 2.38 -1.33 0.56 1.51 -1.26 -4.94 117.35 111.15 3jrm s TYR 95 Ca 0.57 0.70 -0.14 0.00 -1.01 0.00 0.00 57.07 57.20 3jrm s TYR 95 Cb -0.13 -4.12 0.10 0.00 -0.11 0.00 0.00 41.96 37.71 3jrm s TYR 95 CO 0.54 -2.16 1.89 -1.33 -1.11 0.00 0.00 175.55 173.39 3jrm n MET 96 N 7.81 3.23 -4.16 -0.62 2.81 -1.26 -4.60 117.12 120.34 3jrm n MET 96 Ca 0.17 -3.22 -0.10 0.00 -1.81 0.00 0.00 57.70 52.74 3jrm n MET 96 Cb 0.47 -3.19 -0.10 0.00 -0.71 0.00 0.00 33.22 29.69 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 2.36 0.31 -0.09 2.03 -7.23 -1.26 -0.70 120.40 115.82 3jrm s VAL 97 Ca 0.46 -1.91 0.03 0.00 -1.81 0.00 0.00 61.98 58.75 3jrm s VAL 97 Cb 0.08 -1.94 0.01 0.00 0.56 0.00 0.00 36.38 35.09 3jrm s VAL 97 CO -0.01 -0.60 -0.19 -1.10 -0.31 0.00 0.00 175.10 172.89 3jrm s GLN 98 N -3.98 2.49 -0.05 4.82 -0.21 -0.69 -2.84 119.66 119.20 3jrm s GLN 98 Ca 0.20 -0.68 0.06 0.00 0.02 0.00 0.00 55.36 54.96 3jrm s GLN 98 Cb 0.07 -1.97 -0.02 0.00 1.00 0.00 0.00 33.01 32.10 3jrm s GLN 98 CO -0.00 0.07 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.50 3jrm s LEU 99 N 0.60 2.20 -0.12 2.90 1.43 -0.06 -2.12 118.68 123.51 3jrm s LEU 99 Ca -0.14 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.48 3jrm s LEU 99 Cb -0.17 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 3jrm s LEU 99 CO 0.04 0.27 -0.02 -0.76 0.23 0.00 0.00 176.35 176.12 3jrm s LEU 100 N -0.31 3.40 -0.16 1.79 1.43 -0.92 -0.80 118.68 123.11 3jrm s LEU 100 Ca 0.01 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 3jrm s LEU 100 Cb -0.13 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.32 3jrm s LEU 100 CO 0.02 0.26 -0.16 -0.69 0.23 0.00 0.00 176.35 176.02 3jrm s VAL 101 N -0.18 1.69 0.04 -1.59 1.01 -0.14 -0.98 120.40 120.24 3jrm s VAL 101 Ca 0.04 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.36 3jrm s VAL 101 Cb -0.13 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 3jrm s VAL 101 CO 0.02 0.48 -0.14 -0.83 0.00 0.00 0.00 175.10 174.63 3jrm s GLY 102 N 1.44 0.78 0.00 4.51 0.00 -0.23 -0.52 107.32 113.30 3jrm s GLY 102 Ca 0.05 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 43.96 3jrm s GLY 102 CO -0.11 -0.78 0.00 0.61 0.00 0.00 0.00 173.10 172.82 3jrm n GLY 103 N 1.95 -0.96 3.29 0.20 0.00 -0.44 -0.60 105.19 108.62 3jrm n GLY 103 Ca -0.18 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.00 2.66 0.00 -0.61 -1.09 -0.71 -0.93 121.20 118.52 3jrm s ILE 104 Ca 0.00 -0.79 0.00 0.00 -2.23 0.00 0.00 60.65 57.63 3jrm s ILE 104 Cb 0.00 -2.10 0.00 0.00 -1.58 0.00 0.00 42.46 38.78 3jrm s ILE 104 CO 0.00 0.53 0.00 -0.90 -1.23 0.00 0.00 174.94 173.34 3jrm n ASP 105 N 3.78 0.00 0.04 3.58 5.68 -1.26 -4.78 116.55 123.59 3jrm n ASP 105 Ca -0.19 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.22 3jrm n ASP 105 Cb 0.52 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 40.97 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 0.53 -3.85 2.12 -2.24 -1.26 -4.85 114.28 104.73 3jrm n THR 106 Ca 0.00 0.05 -0.09 0.00 -2.27 0.00 0.00 64.05 61.74 3jrm n THR 106 Cb 0.00 -0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 67.42 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 -3.07 -0.66 0.51 6.98 0.00 -1.26 -5.16 121.76 119.10 3jrm s ALA 107 Ca 0.10 -0.50 -0.19 0.00 0.00 0.00 0.00 51.96 51.37 3jrm s ALA 107 Cb 0.13 0.92 -0.08 0.00 0.00 0.00 0.00 23.12 24.09 3jrm s ALA 107 CO 0.44 -0.83 1.03 -2.14 0.00 0.00 0.00 175.76 174.27 3jrm s PRO 108 N -3.93 3.73 -0.07 0.00 0.02 -1.26 -4.37 135.00 129.11 3jrm s PRO 108 Ca 0.14 1.29 -0.15 0.00 0.02 0.00 0.00 61.00 62.30 3jrm s PRO 108 Cb -0.01 -2.09 0.03 0.00 0.02 0.00 0.00 34.50 32.45 3jrm s PRO 108 CO 0.02 -0.48 0.36 -1.01 -0.33 0.00 0.00 177.00 175.57 3jrm s HIS 109 N -2.13 -0.32 -0.05 6.54 3.76 -0.11 -4.96 115.29 118.03 3jrm s HIS 109 Ca 0.66 0.66 0.02 0.00 -0.15 0.00 0.00 55.06 56.25 3jrm s HIS 109 Cb -0.15 0.14 0.01 0.00 1.11 0.00 0.00 32.58 33.68 3jrm s HIS 109 CO 0.24 -0.32 -0.10 0.08 -0.85 0.00 0.00 174.74 173.79 3jrm s VAL 110 N -0.63 0.93 0.04 -0.90 1.01 -1.26 -1.33 120.40 118.26 3jrm s VAL 110 Ca -0.07 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.58 3jrm s VAL 110 Cb -0.04 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 3jrm s VAL 110 CO 0.03 0.30 -0.19 -0.36 0.00 0.00 0.00 175.10 174.88 3jrm s PHE 111 N 0.51 1.65 -0.17 5.22 0.40 0.32 -1.98 117.98 123.94 3jrm s PHE 111 Ca -0.10 -0.36 0.01 0.00 -0.60 0.00 0.00 56.93 55.88 3jrm s PHE 111 Cb -0.13 -0.99 0.01 0.00 0.51 0.00 0.00 43.02 42.42 3jrm s PHE 111 CO 0.02 0.07 -0.17 0.45 0.70 0.00 0.00 175.22 176.28 3jrm s SER 112 N -1.08 3.42 -0.05 1.36 0.15 -0.64 -0.97 113.70 115.89 3jrm s SER 112 Ca 0.06 -0.56 0.06 0.00 0.70 0.00 0.00 55.95 56.21 3jrm s SER 112 Cb -0.08 -1.53 -0.02 0.00 -1.71 0.00 0.00 66.02 62.68 3jrm s SER 112 CO 0.01 0.04 -0.21 -0.63 1.20 0.00 0.00 173.24 173.65 3jrm s ILE 113 N 1.06 2.44 0.54 6.45 1.09 0.02 -1.74 121.20 131.07 3jrm s ILE 113 Ca -0.01 -0.94 0.07 0.00 -1.10 0.00 0.00 60.65 58.67 3jrm s ILE 113 Cb -0.14 -1.91 0.07 0.00 -1.06 0.00 0.00 42.46 39.42 3jrm s ILE 113 CO -0.05 0.58 0.59 -0.90 -0.10 0.00 0.00 174.94 175.06 3jrm n ASP 114 N 2.61 2.34 0.14 3.58 5.68 -0.19 -0.88 116.55 129.84 3jrm n ASP 114 Ca -0.17 -2.64 0.12 0.00 -0.50 0.00 0.00 54.79 51.60 3jrm n ASP 114 Cb 0.52 -0.23 0.51 0.00 -1.14 0.00 0.00 41.12 40.77 3jrm n ASP 114 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3jrm h ALA 115 N 0.39 1.00 -0.44 2.12 0.00 -1.77 -2.47 119.26 118.08 3jrm h ALA 115 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3jrm h ALA 115 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3jrm h ALA 115 CO 0.44 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.69 3jrm n ALA 116 N -1.80 2.40 -0.56 0.00 0.00 -1.26 -4.49 120.51 114.79 3jrm n ALA 116 Ca 0.02 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.41 3jrm n ALA 116 Cb 0.24 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 1.43 0.75 3.68 0.00 0.00 -0.93 -3.88 105.19 106.24 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 -1.78 1.82 -0.10 -0.02 0.00 -1.26 -4.46 107.32 101.52 3jrm s GLY 118 Ca 0.00 0.85 0.02 0.00 0.00 0.00 0.00 44.72 45.59 3jrm s GLY 118 CO 0.00 2.55 -0.16 -0.45 0.00 0.00 0.00 173.10 175.04 3jrm s SER 119 N 2.00 2.42 -0.03 1.64 0.15 -1.26 -1.02 113.70 117.60 3jrm s SER 119 Ca 0.64 -0.43 0.03 0.00 0.70 0.00 0.00 55.95 56.89 3jrm s SER 119 Cb -0.31 -1.09 -0.00 0.00 -1.71 0.00 0.00 66.02 62.91 3jrm s SER 119 CO 0.26 0.04 -0.12 -0.69 1.20 0.00 0.00 173.24 173.93 3jrm s VAL 120 N 0.82 1.00 0.35 4.45 1.01 -0.71 -4.97 120.40 122.35 3jrm s VAL 120 Ca -0.10 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 3jrm s VAL 120 Cb -0.16 -0.87 -0.09 0.00 0.00 0.00 0.00 36.38 35.26 3jrm s VAL 120 CO 0.01 0.30 0.77 -0.70 0.00 0.00 0.00 175.10 175.48 3jrm s GLU 121 N 0.04 4.03 0.17 2.72 2.12 -1.26 -1.62 118.70 124.89 3jrm s GLU 121 Ca -0.01 0.74 -0.22 0.00 0.36 0.00 0.00 54.97 55.83 3jrm s GLU 121 Cb -0.08 -2.38 0.06 0.00 0.26 0.00 0.00 34.13 31.99 3jrm s GLU 121 CO 0.01 0.11 0.60 0.34 -0.54 0.00 0.00 175.26 175.78 3jrm s ASP 122 N -2.30 -0.52 0.25 -1.70 -1.08 -0.84 -4.98 116.67 105.50 3jrm s ASP 122 Ca 0.55 -0.08 0.11 0.00 -0.52 0.00 0.00 52.55 52.62 3jrm s ASP 122 Cb -0.10 0.60 0.24 0.00 -1.46 0.00 0.00 42.92 42.20 3jrm s ASP 122 CO 0.17 -1.00 1.53 0.16 0.52 0.00 0.00 175.17 176.55 3jrm h ILE 123 N 2.02 1.38 -3.74 4.11 3.07 -1.95 -3.35 117.51 119.05 3jrm h ILE 123 Ca -0.33 -2.38 -0.08 0.00 1.55 0.00 0.00 64.86 63.62 3jrm h ILE 123 Cb 1.30 2.32 -0.13 0.00 -0.27 0.00 0.00 36.82 40.04 3jrm h ILE 123 CO 0.37 0.66 -0.29 -0.72 -1.05 0.00 0.00 178.15 177.12 3jrm s TYR 124 N -3.32 0.15 -0.03 0.16 -0.85 -1.26 -1.32 117.35 110.89 3jrm s TYR 124 Ca -0.00 -0.54 -0.28 0.00 -0.52 0.00 0.00 57.07 55.73 3jrm s TYR 124 Cb 0.11 0.01 0.06 0.00 0.38 0.00 0.00 41.96 42.53 3jrm s TYR 124 CO 0.76 -0.64 0.62 0.00 -1.52 0.00 0.00 175.55 174.78 3jrm s ALA 125 N -3.88 -1.62 0.05 9.51 0.00 -0.31 -5.01 121.76 120.49 3jrm s ALA 125 Ca 0.08 1.11 0.02 0.00 0.00 0.00 0.00 51.96 53.17 3jrm s ALA 125 Cb 0.04 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 3jrm s ALA 125 CO -0.08 -0.39 -0.07 0.45 0.00 0.00 0.00 175.76 175.68 3jrm s SER 126 N -1.35 0.81 0.10 0.00 0.15 -1.26 -1.21 113.70 110.94 3jrm s SER 126 Ca -0.10 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 55.93 3jrm s SER 126 Cb -0.01 0.06 -0.04 0.00 -1.71 0.00 0.00 66.02 64.32 3jrm s SER 126 CO 0.07 -0.26 -0.03 0.42 1.20 0.00 0.00 173.24 174.64 3jrm s THR 127 N -1.77 0.44 0.00 6.45 -4.23 -0.43 -4.91 115.64 111.18 3jrm s THR 127 Ca -0.07 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 3jrm s THR 127 Cb -0.07 -1.73 0.00 0.00 1.34 0.00 0.00 72.50 72.03 3jrm s THR 127 CO -0.01 -0.81 0.00 0.61 -0.54 0.00 0.00 174.62 173.87 3jrm n GLY 128 N -0.02 0.47 0.32 3.99 0.00 -1.26 -1.07 105.19 107.62 3jrm n GLY 128 Ca -0.11 -1.94 0.11 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 0.18 -0.07 1.61 4.64 -1.59 -1.31 113.55 117.00 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 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3jrm h SER 129 CO 0.00 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 3jrm n GLY 130 N -1.55 -0.22 0.24 -0.77 0.00 -0.47 -4.38 105.19 98.05 3jrm n GLY 130 Ca 0.05 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.75 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 1.50 0.25 -0.10 1.61 4.64 -1.42 -2.52 113.55 117.52 3jrm h SER 131 Ca 0.00 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 3jrm h SER 131 Cb 0.33 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3jrm h SER 131 CO 0.00 0.44 -0.06 -0.65 -0.87 0.00 0.00 176.83 175.69 3jrm h PRO 132 N 0.25 0.36 -0.37 4.77 0.11 -1.81 -0.08 132.00 135.24 3jrm h PRO 132 Ca 0.05 -0.08 -0.10 0.00 0.11 0.00 0.00 66.00 65.98 3jrm h PRO 132 Cb 0.44 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 3jrm h PRO 132 CO 0.03 0.44 -0.17 0.74 -0.21 0.00 0.00 178.00 178.83 3jrm h PHE 133 N 0.35 0.89 -0.61 0.65 0.04 -1.78 -2.11 116.94 114.37 3jrm h PHE 133 Ca 0.07 -0.22 0.01 0.00 2.80 0.00 0.00 57.97 60.64 3jrm h PHE 133 Cb 0.33 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.24 3jrm h PHE 133 CO 0.01 0.96 0.39 0.28 -0.60 0.00 0.00 178.31 179.35 3jrm h VAL 134 N 0.57 1.13 -0.37 -0.55 2.07 -1.22 -2.09 116.25 115.78 3jrm h VAL 134 Ca 0.08 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3jrm h VAL 134 Cb 0.72 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3jrm h VAL 134 CO 0.05 0.15 0.21 1.88 0.02 0.00 0.00 177.57 179.88 3jrm h TYR 135 N 0.80 0.49 0.58 1.57 0.05 -0.70 0.77 116.97 120.52 3jrm h TYR 135 Ca 0.23 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.99 3jrm h TYR 135 Cb -0.06 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 37.53 3jrm h TYR 135 CO -0.04 0.34 -0.29 0.78 -1.05 0.00 0.00 178.16 177.90 3jrm h GLY 136 N 0.58 -0.83 0.80 3.88 0.00 -0.72 -0.90 103.07 105.87 3jrm h GLY 136 Ca 0.13 0.32 0.02 0.00 0.00 0.00 0.00 47.33 47.80 3jrm h GLY 136 CO -0.02 -0.30 0.07 -2.08 0.00 0.00 0.00 176.54 174.20 3jrm h VAL 137 N -0.79 0.93 -0.49 4.60 2.07 -0.87 -2.44 116.25 119.26 3jrm h VAL 137 Ca -0.08 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 3jrm h VAL 137 Cb 0.62 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3jrm h VAL 137 CO 0.12 0.03 0.21 -0.07 0.02 0.00 0.00 177.57 177.88 3jrm h LEU 138 N 0.17 0.66 -0.85 2.57 3.38 -0.87 -0.07 115.31 120.30 3jrm h LEU 138 Ca 0.10 -0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.02 3jrm h LEU 138 Cb 0.07 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.58 3jrm h LEU 138 CO -0.11 0.63 0.49 -0.33 0.09 0.00 0.00 178.44 179.21 3jrm h GLU 139 N 0.64 0.78 0.03 1.13 4.39 -0.96 -0.49 114.58 120.10 3jrm h GLU 139 Ca 0.16 -0.05 -0.25 0.00 0.34 0.00 0.00 59.36 59.57 3jrm h GLU 139 Cb 0.16 -0.18 0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3jrm h GLU 139 CO -0.02 0.52 -1.03 1.03 -1.16 0.00 0.00 179.01 178.35 3jrm h SER 140 N 0.80 0.65 -0.00 1.42 0.87 -0.96 -3.40 113.55 112.93 3jrm h SER 140 Ca 0.41 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 3jrm h SER 140 Cb 0.39 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 3jrm h SER 140 CO -0.26 1.35 -0.13 0.00 -0.53 0.00 0.00 176.83 177.27 3jrm n GLN 141 N -3.76 5.91 -2.73 2.24 6.02 -0.08 -5.03 117.38 119.96 3jrm n GLN 141 Ca -0.09 -0.02 -0.41 0.00 -0.01 0.00 0.00 57.00 56.47 3jrm n GLN 141 Cb 0.88 -0.64 -0.04 0.00 1.02 0.00 0.00 30.24 31.46 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 -1.24 3.77 0.00 1.08 5.04 -0.22 -5.02 117.35 120.75 3jrm s TYR 142 Ca 0.01 1.76 0.07 0.00 -2.44 0.00 0.00 57.07 56.47 3jrm s TYR 142 Cb 0.02 -3.07 -0.02 0.00 0.35 0.00 0.00 41.96 39.25 3jrm s TYR 142 CO 0.11 0.15 -0.22 0.45 -1.34 0.00 0.00 175.55 174.70 3jrm s SER 143 N 0.29 2.56 0.49 4.32 0.15 -1.26 -4.99 113.70 115.25 3jrm s SER 143 Ca 0.48 -0.43 0.17 0.00 0.70 0.00 0.00 55.95 56.87 3jrm s SER 143 Cb -0.23 -0.26 1.21 0.00 -1.71 0.00 0.00 66.02 65.03 3jrm s SER 143 CO 0.29 0.24 2.05 -0.33 1.20 0.00 0.00 173.24 176.69 3jrm h GLU 144 N 5.38 0.15 -0.08 5.44 5.08 -1.96 -2.47 114.58 126.11 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 1.14 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3jrm h GLU 144 CO 0.47 0.10 0.00 1.63 -1.00 0.00 0.00 179.01 180.20 3jrm n LYS 145 N -4.47 1.32 -1.90 2.33 5.02 -1.26 -4.32 118.16 114.89 3jrm n LYS 145 Ca 0.05 -0.49 -0.36 0.00 -2.02 0.00 0.00 58.31 55.49 3jrm n LYS 145 Cb 0.31 -1.32 0.05 0.00 -0.02 0.00 0.00 35.03 34.04 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 -1.90 2.81 0.57 1.97 -1.94 -0.93 -5.02 119.30 114.85 3jrm s MET 146 Ca 0.29 1.86 -0.08 0.00 -1.71 0.00 0.00 55.69 56.05 3jrm s MET 146 Cb 0.14 -1.90 -0.02 0.00 2.01 0.00 0.00 34.83 35.06 3jrm s MET 146 CO 0.23 -1.34 0.92 0.95 -0.01 0.00 0.00 175.02 175.76 3jrm s THR 147 N -1.60 4.36 0.24 2.05 -4.23 -1.26 -4.69 115.64 110.51 3jrm s THR 147 Ca 0.78 0.36 -0.05 0.00 -1.18 0.00 0.00 61.69 61.60 3jrm s THR 147 Cb -0.32 -3.71 0.20 0.00 1.34 0.00 0.00 72.50 70.01 3jrm s THR 147 CO 0.36 -0.80 1.75 0.58 -0.54 0.00 0.00 174.62 175.96 3jrm h VAL 148 N -0.13 0.73 -0.86 2.29 2.07 -1.99 -0.12 116.25 118.24 3jrm h VAL 148 Ca -0.46 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 3jrm h VAL 148 Cb 1.22 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 3jrm h VAL 148 CO 0.62 0.09 0.45 0.44 0.02 0.00 0.00 177.57 179.18 3jrm h ASP 149 N 0.50 1.10 -0.51 0.57 3.32 -2.00 -0.12 116.42 119.28 3jrm h ASP 149 Ca 0.39 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 3jrm h ASP 149 Cb 0.53 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3jrm h ASP 149 CO -0.35 0.91 0.15 -0.33 -1.72 0.00 0.00 179.24 177.89 3jrm h GLU 150 N 1.22 0.81 -0.05 3.56 5.08 -1.74 -2.24 114.58 121.21 3jrm h GLU 150 Ca 0.30 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3jrm h GLU 150 Cb 0.07 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3jrm h GLU 150 CO -0.04 0.76 -0.05 0.78 -1.00 0.00 0.00 179.01 179.45 3jrm h GLY 151 N 0.71 -0.01 0.63 -3.84 0.00 -0.37 0.66 103.07 100.85 3jrm h GLY 151 Ca 0.16 0.07 0.08 0.00 0.00 0.00 0.00 47.33 47.64 3jrm h GLY 151 CO -0.00 -0.06 0.52 -2.08 0.00 0.00 0.00 176.54 174.91 3jrm h VAL 152 N -0.07 0.99 -0.65 4.60 2.07 -0.98 -0.75 116.25 121.46 3jrm h VAL 152 Ca 0.04 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 3jrm h VAL 152 Cb 0.13 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.87 3jrm h VAL 152 CO -0.09 0.17 0.24 0.44 0.02 0.00 0.00 177.57 178.34 3jrm h ASP 153 N 0.91 0.92 -0.38 0.57 3.32 -0.98 -1.96 116.42 118.82 3jrm h ASP 153 Ca 0.39 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 3jrm h ASP 153 Cb 0.26 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3jrm h ASP 153 CO -0.21 0.85 0.21 0.25 -1.72 0.00 0.00 179.24 178.63 3jrm h LEU 154 N 0.92 0.48 -0.80 1.55 5.85 0.32 -1.49 115.31 122.14 3jrm h LEU 154 Ca 0.21 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 3jrm h LEU 154 Cb 0.24 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3jrm h LEU 154 CO -0.01 0.43 -0.43 -0.37 -0.34 0.00 0.00 178.44 177.72 3jrm h VAL 155 N 0.49 1.31 -0.64 1.05 -1.51 -1.09 -0.87 116.25 114.99 3jrm h VAL 155 Ca 0.13 -1.59 -0.01 0.00 -1.23 0.00 0.00 66.70 64.00 3jrm h VAL 155 Cb 0.06 1.66 -0.03 0.00 -2.13 0.00 0.00 31.29 30.85 3jrm h VAL 155 CO -0.02 0.49 0.35 0.40 -1.23 0.00 0.00 177.57 177.56 3jrm h ILE 156 N 0.31 1.20 0.13 7.19 2.04 -1.10 -0.91 117.51 126.38 3jrm h ILE 156 Ca 0.02 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 3jrm h ILE 156 Cb 0.89 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3jrm h ILE 156 CO 0.07 0.22 -0.06 0.03 0.00 0.00 0.00 178.15 178.41 3jrm h ARG 157 N 0.88 -0.17 -0.35 2.37 3.08 -0.85 0.19 114.38 119.52 3jrm h ARG 157 Ca 0.23 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.36 3jrm h ARG 157 Cb 0.05 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.07 3jrm h ARG 157 CO -0.04 0.01 -0.09 0.00 -1.07 0.00 0.00 179.97 178.78 3jrm h ALA 158 N 0.52 0.23 -0.02 0.04 0.00 -1.03 -0.28 119.26 118.71 3jrm h ALA 158 Ca -0.02 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3jrm h ALA 158 Cb 0.26 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3jrm h ALA 158 CO 0.03 -0.46 -0.46 0.82 0.00 0.00 0.00 179.25 179.17 3jrm h ILE 159 N -0.01 1.33 -0.55 0.00 2.04 -1.08 -1.45 117.51 117.80 3jrm h ILE 159 Ca 0.17 -1.61 -0.06 0.00 1.00 0.00 0.00 64.86 64.36 3jrm h ILE 159 Cb 0.27 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 3jrm h ILE 159 CO -0.37 0.46 0.10 0.28 0.00 0.00 0.00 178.15 178.62 3jrm h SER 160 N 0.05 0.87 -0.09 1.72 0.02 -0.31 0.28 113.55 116.09 3jrm h SER 160 Ca -0.00 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3jrm h SER 160 Cb 0.84 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 3jrm h SER 160 CO 0.06 0.90 0.05 0.00 -1.14 0.00 0.00 176.83 176.70 3jrm h ALA 161 N 1.00 0.10 -0.80 3.77 0.00 -0.80 -2.36 119.26 120.18 3jrm h ALA 161 Ca 0.17 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3jrm h ALA 161 Cb 0.40 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3jrm h ALA 161 CO 0.01 -0.41 0.50 0.00 0.00 0.00 0.00 179.25 179.35 3jrm h ALA 162 N 1.04 1.02 -0.65 0.00 0.00 -1.05 -1.57 119.26 118.05 3jrm h ALA 162 Ca 0.03 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3jrm h ALA 162 Cb -0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 3jrm h ALA 162 CO -0.02 0.47 0.43 0.87 0.00 0.00 0.00 179.25 181.00 3jrm h LYS 163 N 1.09 0.72 0.00 0.00 1.57 -0.75 0.05 116.57 119.25 3jrm h LYS 163 Ca 0.29 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3jrm h LYS 163 Cb -0.07 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.08 3jrm h LYS 163 CO -0.06 0.48 -0.01 1.96 -0.57 0.00 0.00 179.45 181.25 3jrm h GLN 164 N 0.75 0.00 0.00 3.15 1.08 -0.74 -3.34 115.11 116.00 3jrm h GLN 164 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 3jrm h GLN 164 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 3jrm h GLN 164 CO -0.08 0.01 0.00 0.54 -0.95 0.00 0.00 178.83 178.35 3jrm n ARG 165 N -3.10 1.13 -3.93 1.46 5.12 -0.85 -4.97 116.66 111.53 3jrm n ARG 165 Ca 0.01 -0.21 -0.29 0.00 -1.93 0.00 0.00 57.85 55.42 3jrm n ARG 165 Cb 0.31 -0.65 -0.16 0.00 -1.16 0.00 0.00 32.46 30.81 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 3.23 0.33 0.55 2.15 -0.06 -4.99 116.67 117.66 3jrm s ASP 166 Ca 0.00 -0.85 0.26 0.00 0.43 0.00 0.00 52.55 52.39 3jrm s ASP 166 Cb 0.00 -1.06 0.90 0.00 -0.30 0.00 0.00 42.92 42.46 3jrm s ASP 166 CO 0.00 -0.19 1.77 0.77 -0.17 0.00 0.00 175.17 177.35 3jrm h SER 167 N 8.04 0.00 0.57 -0.34 4.64 -1.86 -1.62 113.55 122.99 3jrm h SER 167 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3jrm h SER 167 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3jrm h SER 167 CO 0.43 0.00 -0.01 0.00 -0.87 0.00 0.00 176.83 176.37 3jrm n ALA 168 N -1.89 2.51 -2.58 5.18 0.00 -1.26 -4.75 120.51 117.72 3jrm n ALA 168 Ca 0.03 -0.15 -0.31 0.00 0.00 0.00 0.00 53.44 53.01 3jrm n ALA 168 Cb 0.36 -1.48 -0.10 0.00 0.00 0.00 0.00 19.45 18.23 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 -2.59 4.48 0.00 0.00 0.01 -0.61 -1.37 113.70 113.62 3jrm s SER 169 Ca 0.28 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.30 3jrm s SER 169 Cb 0.20 -0.96 0.00 0.00 0.21 0.00 0.00 66.02 65.47 3jrm s SER 169 CO 0.47 0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.98 3jrm n GLY 170 N 1.30 -0.14 0.83 3.44 0.00 -1.26 -4.76 105.19 104.60 3jrm n GLY 170 Ca -0.15 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.37 -2.34 3.76 -0.02 0.00 -1.26 -1.67 105.19 103.29 3jrm n GLY 171 Ca 0.00 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.25 4.35 0.26 1.61 1.75 -1.26 -4.68 119.30 121.07 3jrm s MET 172 Ca 0.00 2.21 -0.29 0.00 -1.25 0.00 0.00 55.69 56.36 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 -0.23 0.94 0.42 -0.65 0.00 0.00 175.02 175.51 3jrm s ILE 173 N -0.83 4.09 -0.12 10.11 1.01 -1.26 -3.86 121.20 130.33 3jrm s ILE 173 Ca 0.51 2.03 -0.00 0.00 0.00 0.00 0.00 60.65 63.19 3jrm s ILE 173 Cb -0.40 -4.26 0.03 0.00 0.01 0.00 0.00 42.46 37.84 3jrm s ILE 173 CO 0.50 0.43 -0.07 -0.62 0.00 0.00 0.00 174.94 175.18 3jrm s ASP 174 N -1.26 2.28 -0.02 3.58 3.68 -0.58 -4.98 116.67 119.37 3jrm s ASP 174 Ca 0.43 -0.36 0.04 0.00 2.13 0.00 0.00 52.55 54.79 3jrm s ASP 174 Cb -0.25 -0.84 -0.01 0.00 -1.45 0.00 0.00 42.92 40.37 3jrm s ASP 174 CO 0.31 -0.13 -0.15 -0.69 0.13 0.00 0.00 175.17 174.63 3jrm s VAL 175 N 1.70 1.18 -0.03 1.11 1.01 -1.26 -1.84 120.40 122.28 3jrm s VAL 175 Ca 0.04 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.44 3jrm s VAL 175 Cb -0.13 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 3jrm s VAL 175 CO -0.08 0.34 -0.17 0.00 0.00 0.00 0.00 175.10 175.18 3jrm s ALA 176 N -0.26 1.50 -0.07 5.51 0.00 0.21 -0.96 121.76 127.69 3jrm s ALA 176 Ca 0.04 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.29 3jrm s ALA 176 Cb -0.07 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 3jrm s ALA 176 CO -0.00 0.32 -0.13 0.08 0.00 0.00 0.00 175.76 176.03 3jrm s VAL 177 N -0.21 3.13 -0.20 0.00 1.01 0.24 -1.34 120.40 123.03 3jrm s VAL 177 Ca 0.02 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.33 3jrm s VAL 177 Cb -0.09 -2.25 0.04 0.00 0.00 0.00 0.00 36.38 34.08 3jrm s VAL 177 CO 0.01 0.57 -0.13 -0.63 0.00 0.00 0.00 175.10 174.92 3jrm s ILE 178 N -0.45 1.78 0.15 2.22 1.01 0.35 -0.55 121.20 125.70 3jrm s ILE 178 Ca 0.06 -1.03 0.06 0.00 0.00 0.00 0.00 60.65 59.74 3jrm s ILE 178 Cb -0.12 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 3jrm s ILE 178 CO 0.02 0.25 -0.14 0.42 0.00 0.00 0.00 174.94 175.49 3jrm s THR 179 N 1.35 1.43 0.20 2.92 -4.23 -0.62 -1.75 115.64 114.94 3jrm s THR 179 Ca -0.00 -1.88 -0.11 0.00 -1.18 0.00 0.00 61.69 58.51 3jrm s THR 179 Cb -0.16 -1.71 0.12 0.00 1.34 0.00 0.00 72.50 72.09 3jrm s THR 179 CO -0.09 -0.49 1.83 -0.09 -0.54 0.00 0.00 174.62 175.24 3jrm h ARG 180 N 3.20 0.72 0.15 3.99 9.65 -1.87 0.26 114.38 130.48 3jrm h ARG 180 Ca -0.39 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.44 3jrm h ARG 180 Cb 1.20 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 3jrm h ARG 180 CO 0.55 0.47 -0.07 -0.22 2.80 0.00 0.00 179.97 183.50 3jrm h LYS 181 N 0.74 -0.20 -0.04 0.20 3.64 -1.96 -3.33 116.57 115.62 3jrm h LYS 181 Ca 0.26 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3jrm h LYS 181 Cb 0.06 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3jrm h LYS 181 CO -0.12 -0.04 0.00 -0.25 -2.27 0.00 0.00 179.45 176.76 3jrm n ASP 182 N -5.13 1.96 0.00 4.20 8.00 -1.23 -5.10 116.55 119.24 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 0.14 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 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 0.03 3.59 0.44 0.00 0.92 -4.54 105.19 106.22 3jrm n GLY 183 Ca 0.07 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 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 2.83 -0.17 1.61 6.14 -1.18 -1.60 117.35 124.99 3jrm s TYR 184 Ca 0.00 0.59 -0.01 0.00 0.64 0.00 0.00 57.07 58.29 3jrm s TYR 184 Cb 0.00 -4.31 -0.01 0.00 0.42 0.00 0.00 41.96 38.06 3jrm s TYR 184 CO 0.00 -1.24 -0.11 0.08 0.64 0.00 0.00 175.55 174.92 3jrm s VAL 185 N 4.28 3.02 -0.23 3.14 1.01 0.29 -4.99 120.40 126.93 3jrm s VAL 185 Ca 0.44 -0.64 -0.24 0.00 0.00 0.00 0.00 61.98 61.54 3jrm s VAL 185 Cb -0.08 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 3jrm s VAL 185 CO 0.30 0.49 0.80 -1.58 0.00 0.00 0.00 175.10 175.11 3jrm s GLN 186 N 0.89 4.20 0.45 2.72 0.74 -1.26 -0.59 119.66 126.81 3jrm s GLN 186 Ca -0.03 0.90 -0.25 0.00 0.05 0.00 0.00 55.36 56.03 3jrm s GLN 186 Cb -0.15 -3.63 -0.08 0.00 1.10 0.00 0.00 33.01 30.25 3jrm s GLN 186 CO -0.00 -0.46 1.42 -0.51 -0.55 0.00 0.00 175.29 175.19 3jrm s LEU 187 N 2.63 4.11 0.60 3.68 1.43 -0.13 -4.98 118.68 126.01 3jrm s LEU 187 Ca 0.34 2.90 -0.16 0.00 -1.03 0.00 0.00 54.13 56.19 3jrm s LEU 187 Cb -0.16 -3.95 -0.03 0.00 0.03 0.00 0.00 46.19 42.08 3jrm s LEU 187 CO 0.08 -1.18 1.06 -2.84 0.23 0.00 0.00 176.35 173.71 3jrm s PRO 188 N -2.46 3.29 0.19 1.29 0.02 -1.26 -4.68 135.00 131.38 3jrm s PRO 188 Ca 0.61 1.21 -0.13 0.00 0.02 0.00 0.00 61.00 62.72 3jrm s PRO 188 Cb -0.43 -2.03 0.11 0.00 0.02 0.00 0.00 34.50 32.17 3jrm s PRO 188 CO 0.56 -0.83 1.84 1.15 -0.33 0.00 0.00 177.00 179.38 3jrm h THR 189 N 0.42 1.11 -0.74 0.99 2.02 -1.95 -2.39 112.91 112.36 3jrm h THR 189 Ca -0.47 -0.25 0.14 0.00 0.77 0.00 0.00 66.41 66.60 3jrm h THR 189 Cb 1.22 0.30 -0.14 0.00 -1.74 0.00 0.00 68.15 67.79 3jrm h THR 189 CO 0.57 0.14 -0.22 0.44 0.37 0.00 0.00 175.52 176.82 3jrm h ASP 190 N 0.74 -0.81 -0.42 4.18 5.19 -1.99 -1.14 116.42 122.18 3jrm h ASP 190 Ca 0.23 0.23 -0.09 0.00 -0.62 0.00 0.00 57.03 56.78 3jrm h ASP 190 Cb -0.03 0.50 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 3jrm h ASP 190 CO -0.07 -0.26 -0.08 -0.61 -3.12 0.00 0.00 179.24 175.09 3jrm h GLN 191 N -0.03 0.80 0.20 3.56 4.15 -1.83 0.55 115.11 122.51 3jrm h GLN 191 Ca 0.34 -0.30 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 3jrm h GLN 191 Cb 0.56 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.20 3jrm h GLN 191 CO -0.78 0.91 -0.10 0.82 -1.93 0.00 0.00 178.83 177.76 3jrm h ILE 192 N 0.62 0.87 -0.65 2.39 2.04 -1.18 -2.25 117.51 119.36 3jrm h ILE 192 Ca 0.11 -0.35 0.12 0.00 1.00 0.00 0.00 64.86 65.74 3jrm h ILE 192 Cb 0.60 1.08 -0.09 0.00 -0.74 0.00 0.00 36.82 37.67 3jrm h ILE 192 CO 0.04 0.08 0.16 -0.33 0.00 0.00 0.00 178.15 178.09 3jrm h GLU 193 N -0.44 0.28 -0.29 2.37 5.08 -1.13 -0.77 114.58 119.68 3jrm h GLU 193 Ca -0.03 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.38 3jrm h GLU 193 Cb 0.34 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.45 3jrm h GLU 193 CO 0.04 0.18 -0.18 1.03 -1.00 0.00 0.00 179.01 179.09 3jrm h SER 194 N 0.28 -0.59 0.39 1.42 0.87 -0.74 -1.53 113.55 113.66 3jrm h SER 194 Ca 0.35 0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.96 3jrm h SER 194 Cb 0.53 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 62.78 3jrm h SER 194 CO -0.42 -0.22 -0.32 0.03 -0.53 0.00 0.00 176.83 175.36 3jrm h ARG 195 N -0.15 0.00 -0.46 2.24 3.08 -0.72 -0.72 114.38 117.65 3jrm h ARG 195 Ca 0.15 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 3jrm h ARG 195 Cb 0.38 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3jrm h ARG 195 CO -0.38 0.32 0.27 0.82 -1.07 0.00 0.00 179.97 179.94 3jrm h ILE 196 N 0.00 1.14 0.61 2.04 2.04 -0.49 0.16 117.51 123.02 3jrm h ILE 196 Ca -0.00 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 3jrm h ILE 196 Cb 0.61 0.54 0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3jrm h ILE 196 CO 0.04 0.15 -0.30 0.03 0.00 0.00 0.00 178.15 178.07 3jrm h ARG 197 N 0.61 -0.80 -0.76 2.37 3.08 -0.81 -1.37 114.38 116.70 3jrm h ARG 197 Ca 0.16 0.05 0.17 0.00 0.07 0.00 0.00 59.98 60.44 3jrm h ARG 197 Cb 0.00 0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 3jrm h ARG 197 CO -0.03 -0.49 0.52 -0.22 -1.07 0.00 0.00 179.97 178.67 3jrm h LYS 198 N -0.95 0.27 0.00 0.04 3.64 -1.12 0.22 116.57 118.67 3jrm h LYS 198 Ca -0.08 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3jrm h LYS 198 Cb 0.67 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3jrm h LYS 198 CO 0.14 0.18 -0.35 1.28 -2.27 0.00 0.00 179.45 178.43 3jrm n LEU 199 N -4.44 0.66 -1.93 5.20 4.77 0.04 -5.01 117.00 116.28 3jrm n LEU 199 Ca 0.15 0.35 -0.01 0.00 -0.03 0.00 0.00 56.01 56.46 3jrm n LEU 199 Cb 0.63 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3jrm n LEU 199 CO 0.34 -0.07 0.05 0.61 -1.33 0.00 0.00 177.39 176.98 3jrm n GLY 200 N 1.36 -0.76 0.00 -0.72 0.00 0.78 -5.07 105.19 100.77 3jrm n GLY 200 Ca 0.05 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.75 0.00 0.00 0.99 4.77 -0.86 -5.02 117.00 116.12 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 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3jrm n LEU 201 CO 0.15 0.00 0.00 -0.38 -1.33 0.00 0.00 177.39 175.83 3jrm n ILE 202 N 0.00 0.00 0.00 -0.08 5.41 -1.26 -4.91 119.36 118.51 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