#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 0.40 0.15 12.58 2.01 -1.26 -1.13 115.64 128.38 3jrm s THR 2 Ca 0.00 0.11 0.09 0.00 0.31 0.00 0.00 61.69 62.19 3jrm s THR 2 Cb 0.00 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 3jrm s THR 2 CO 0.00 0.26 -0.20 0.42 -0.69 0.00 0.00 174.62 174.42 3jrm s THR 3 N 1.96 1.82 -0.05 -0.82 -4.23 -0.45 -2.32 115.64 111.55 3jrm s THR 3 Ca 0.05 -1.80 -0.09 0.00 -1.18 0.00 0.00 61.69 58.66 3jrm s THR 3 Cb -0.12 -1.77 0.02 0.00 1.34 0.00 0.00 72.50 71.96 3jrm s THR 3 CO -0.05 -0.22 0.23 0.54 -0.54 0.00 0.00 174.62 174.58 3jrm s VAL 4 N -1.73 0.03 -0.04 2.29 0.11 0.20 -1.60 120.40 119.66 3jrm s VAL 4 Ca 0.13 -0.27 0.01 0.00 -2.93 0.00 0.00 61.98 58.92 3jrm s VAL 4 Cb -0.07 -0.42 0.02 0.00 -1.53 0.00 0.00 36.38 34.38 3jrm s VAL 4 CO 0.06 -0.15 -0.04 -0.83 -3.33 0.00 0.00 175.10 170.81 3jrm s GLY 5 N -0.54 0.45 0.19 6.54 0.00 -0.05 -1.09 107.32 112.82 3jrm s GLY 5 Ca -0.06 -0.05 0.09 0.00 0.00 0.00 0.00 44.72 44.69 3jrm s GLY 5 CO 0.01 0.47 -0.17 -0.26 0.00 0.00 0.00 173.10 173.15 3jrm s ILE 6 N 0.95 1.88 0.00 0.90 -4.36 0.15 -1.37 121.20 119.36 3jrm s ILE 6 Ca -0.11 -2.08 0.06 0.00 -0.26 0.00 0.00 60.65 58.27 3jrm s ILE 6 Cb -0.14 -1.97 -0.03 0.00 1.25 0.00 0.00 42.46 41.57 3jrm s ILE 6 CO -0.00 -0.42 -0.18 0.42 0.24 0.00 0.00 174.94 175.00 3jrm s THR 7 N -2.42 2.75 0.00 8.37 -4.23 -0.27 -1.68 115.64 118.17 3jrm s THR 7 Ca 0.20 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 3jrm s THR 7 Cb -0.04 -2.10 -0.00 0.00 1.34 0.00 0.00 72.50 71.70 3jrm s THR 7 CO 0.08 0.46 0.00 0.18 -0.54 0.00 0.00 174.62 174.79 3jrm n LEU 8 N 1.93 0.00 -0.18 4.79 4.77 -0.63 -4.92 117.00 122.76 3jrm n LEU 8 Ca -0.16 -0.03 -0.07 0.00 -0.03 0.00 0.00 56.01 55.72 3jrm n LEU 8 Cb 0.52 0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.63 3jrm n LEU 8 CO 0.26 -0.00 1.03 0.11 -1.33 0.00 0.00 177.39 177.46 3jrm h LYS 9 N 0.00 0.73 -0.18 3.23 1.57 -1.84 -3.27 116.57 116.81 3jrm h LYS 9 Ca -0.00 -0.08 -0.19 0.00 -1.87 0.00 0.00 60.65 58.50 3jrm h LYS 9 Cb 0.01 -0.14 -0.30 0.00 0.08 0.00 0.00 32.23 31.88 3jrm h LYS 9 CO 0.00 0.56 -0.89 -0.25 -0.57 0.00 0.00 179.45 178.31 3jrm n ASP 10 N -4.64 1.79 -3.70 0.86 10.43 -1.26 -4.70 116.55 115.33 3jrm n ASP 10 Ca 0.03 -2.72 -0.10 0.00 2.57 0.00 0.00 54.79 54.57 3jrm n ASP 10 Cb 0.08 -0.40 -0.05 0.00 1.84 0.00 0.00 41.12 42.59 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 -2.06 -0.76 -0.04 2.24 0.00 -1.23 -4.45 121.76 115.45 3jrm s ALA 11 Ca 0.36 -0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.13 3jrm s ALA 11 Cb 0.37 0.69 0.01 0.00 0.00 0.00 0.00 23.12 24.19 3jrm s ALA 11 CO -0.09 -0.64 -0.09 0.08 0.00 0.00 0.00 175.76 175.02 3jrm s VAL 12 N -3.83 0.85 -0.09 0.00 1.01 -0.71 -1.61 120.40 116.03 3jrm s VAL 12 Ca 0.05 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.70 3jrm s VAL 12 Cb 0.02 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 3jrm s VAL 12 CO -0.10 0.28 -0.19 -0.63 0.00 0.00 0.00 175.10 174.45 3jrm s ILE 13 N 0.43 2.53 -0.02 2.22 1.01 -0.67 -0.55 121.20 126.14 3jrm s ILE 13 Ca -0.08 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.73 3jrm s ILE 13 Cb -0.12 -1.99 -0.00 0.00 0.01 0.00 0.00 42.46 40.36 3jrm s ILE 13 CO 0.01 0.56 -0.12 -0.04 0.00 0.00 0.00 174.94 175.36 3jrm s MET 14 N -0.01 1.06 0.07 2.79 -1.94 -0.50 -0.67 119.30 120.09 3jrm s MET 14 Ca -0.06 -0.41 -0.09 0.00 -1.71 0.00 0.00 55.69 53.43 3jrm s MET 14 Cb -0.15 -0.99 -0.00 0.00 2.01 0.00 0.00 34.83 35.70 3jrm s MET 14 CO 0.05 0.21 0.19 0.00 -0.01 0.00 0.00 175.02 175.45 3jrm s ALA 15 N -0.08 -0.26 0.28 3.03 0.00 -0.25 -0.74 121.76 123.74 3jrm s ALA 15 Ca 0.01 -0.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.45 3jrm s ALA 15 Cb -0.07 0.40 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 3jrm s ALA 15 CO 0.00 -0.45 0.34 0.95 0.00 0.00 0.00 175.76 176.60 3jrm s THR 16 N -3.35 0.00 0.15 0.00 -4.23 -0.71 -0.63 115.64 106.87 3jrm s THR 16 Ca 0.01 -1.76 0.01 0.00 -1.18 0.00 0.00 61.69 58.77 3jrm s THR 16 Cb 0.03 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.39 3jrm s THR 16 CO -0.08 0.00 0.09 -1.84 -0.54 0.00 0.00 174.62 172.25 3jrm n GLU 17 N -0.46 1.35 -0.07 3.99 -0.00 -0.98 -1.44 120.64 123.02 3jrm n GLU 17 Ca 0.02 -0.97 0.02 0.00 -0.00 0.00 0.00 57.16 56.22 3jrm n GLU 17 Cb 0.63 0.14 0.02 0.00 -0.00 0.00 0.00 31.44 32.23 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 -0.76 1.37 -2.72 3.44 1.74 -0.75 -4.57 116.66 114.41 3jrm n ARG 18 Ca -0.02 -1.27 -0.40 0.00 -0.77 0.00 0.00 57.85 55.38 3jrm n ARG 18 Cb 0.18 -0.85 -0.05 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 -0.83 4.78 -0.18 5.56 3.52 -0.42 -0.54 118.95 130.83 3jrm s ARG 19 Ca 0.05 1.50 0.01 0.00 -0.13 0.00 0.00 55.73 57.16 3jrm s ARG 19 Cb 0.04 -3.31 0.03 0.00 -1.56 0.00 0.00 34.95 30.16 3jrm s ARG 19 CO 0.00 0.37 -0.13 0.08 -0.81 0.00 0.00 175.30 174.82 3jrm s VAL 20 N -0.71 1.65 0.13 7.11 1.01 0.77 -4.77 120.40 125.58 3jrm s VAL 20 Ca 0.44 -0.85 0.09 0.00 0.00 0.00 0.00 61.98 61.66 3jrm s VAL 20 Cb -0.25 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 3jrm s VAL 20 CO 0.32 0.32 -0.17 0.42 0.00 0.00 0.00 175.10 175.98 3jrm s THR 21 N 1.43 2.85 -0.57 3.92 -4.23 -1.26 -1.80 115.64 115.97 3jrm s THR 21 Ca 0.02 -1.56 -0.03 0.00 -1.18 0.00 0.00 61.69 58.94 3jrm s THR 21 Cb -0.15 -2.32 0.15 0.00 1.34 0.00 0.00 72.50 71.52 3jrm s THR 21 CO -0.10 0.06 0.39 -0.32 -0.54 0.00 0.00 174.62 174.11 3jrm s MET 22 N -2.26 2.45 7.01 3.99 -2.45 -0.41 -4.91 119.30 122.72 3jrm s MET 22 Ca 0.19 -2.35 0.00 0.00 -1.25 0.00 0.00 55.69 52.28 3jrm s MET 22 Cb -0.10 -3.71 0.00 0.00 1.25 0.00 0.00 34.83 32.27 3jrm s MET 22 CO 0.11 -1.15 0.00 -1.91 1.05 0.00 0.00 175.02 173.11 3jrm n GLU 23 N 3.79 0.00 0.02 4.11 4.07 -1.26 -2.50 120.64 128.86 3jrm n GLU 23 Ca 0.05 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.29 3jrm n GLU 23 Cb 0.39 0.00 0.51 0.00 -0.06 0.00 0.00 31.44 32.28 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 6.69 0.23 -4.55 4.31 0.23 -1.26 -4.83 115.26 116.08 3jrm n ASN 24 Ca 0.00 0.38 -0.43 0.00 -0.53 0.00 0.00 54.58 54.00 3jrm n ASN 24 Cb 0.00 -0.40 -0.04 0.00 -2.08 0.00 0.00 39.78 37.26 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 -3.02 2.87 -0.84 -2.53 2.19 -1.04 -4.98 117.98 110.63 3jrm s PHE 25 Ca 0.13 0.25 -0.25 0.00 0.33 0.00 0.00 56.93 57.39 3jrm s PHE 25 Cb 0.18 -4.02 0.00 0.00 -1.31 0.00 0.00 43.02 37.87 3jrm s PHE 25 CO 0.58 -1.20 1.64 0.42 1.83 0.00 0.00 175.22 178.49 3jrm s ILE 26 N 3.85 3.62 0.07 3.12 1.01 -1.26 -1.29 121.20 130.31 3jrm s ILE 26 Ca 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.79 3jrm s ILE 26 Cb -0.11 -4.49 -0.27 0.00 0.01 0.00 0.00 42.46 37.61 3jrm s ILE 26 CO 0.24 -1.42 1.09 0.24 0.00 0.00 0.00 174.94 175.10 3jrm h MET 27 N 11.38 0.21 -3.78 2.79 2.86 -1.71 -3.45 114.93 123.24 3jrm h MET 27 Ca -0.03 -0.36 -0.35 0.00 -2.06 0.00 0.00 59.70 56.90 3jrm h MET 27 Cb 1.05 0.13 -0.34 0.00 0.06 0.00 0.00 31.60 32.51 3jrm h MET 27 CO 1.29 1.14 -0.75 -1.01 1.06 0.00 0.00 176.91 178.64 3jrm s HIS 28 N -2.66 0.39 -0.60 -0.22 3.76 -0.99 -5.03 115.29 109.93 3jrm s HIS 28 Ca -0.04 -0.04 0.24 0.00 -0.15 0.00 0.00 55.06 55.07 3jrm s HIS 28 Cb 0.08 -0.45 0.23 0.00 1.11 0.00 0.00 32.58 33.55 3jrm s HIS 28 CO 0.86 -0.14 1.21 1.63 -0.85 0.00 0.00 174.74 177.46 3jrm n LYS 29 N 4.10 0.32 -3.15 1.40 5.02 -1.26 -0.17 118.16 124.42 3jrm n LYS 29 Ca -0.27 0.06 -0.22 0.00 -2.02 0.00 0.00 58.31 55.87 3jrm n LYS 29 Cb 0.50 -1.67 -0.04 0.00 -0.02 0.00 0.00 35.03 33.80 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 -2.11 1.72 -4.89 4.39 3.02 -1.22 -4.17 115.26 111.99 3jrm n ASN 30 Ca 0.03 -3.13 -0.29 0.00 -0.03 0.00 0.00 54.58 51.15 3jrm n ASN 30 Cb 0.45 -0.61 0.06 0.00 -0.61 0.00 0.00 39.78 39.06 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 -2.44 1.62 -0.15 7.41 0.00 0.29 -5.05 107.32 109.01 3jrm s GLY 31 Ca 0.41 -0.49 -0.03 0.00 0.00 0.00 0.00 44.72 44.62 3jrm s GLY 31 CO -0.09 -0.09 -0.07 1.25 0.00 0.00 0.00 173.10 174.10 3jrm s LYS 32 N -5.39 3.54 0.00 2.90 2.20 -1.26 -4.55 119.74 117.18 3jrm s LYS 32 Ca 0.59 -0.59 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 3jrm s LYS 32 Cb -0.11 -2.83 0.00 0.00 -1.51 0.00 0.00 37.83 33.38 3jrm s LYS 32 CO 0.50 0.18 0.43 1.63 -0.36 0.00 0.00 175.35 177.74 3jrm n LYS 33 N 3.67 -0.48 -4.47 4.03 5.02 -1.26 -4.97 118.16 119.69 3jrm n LYS 33 Ca -0.18 -0.47 -0.27 0.00 -2.02 0.00 0.00 58.31 55.38 3jrm n LYS 33 Cb 0.52 -0.89 -0.17 0.00 -0.02 0.00 0.00 35.03 34.48 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 -0.07 1.65 -0.00 -0.35 2.96 -1.26 -1.37 118.68 120.22 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 45.71 3jrm s LEU 34 CO 0.00 0.01 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.65 3jrm s PHE 35 N 0.92 0.32 0.05 5.38 0.08 -0.26 -5.00 117.98 119.47 3jrm s PHE 35 Ca -0.09 -0.06 -0.30 0.00 0.12 0.00 0.00 56.93 56.60 3jrm s PHE 35 Cb -0.15 -0.21 -0.04 0.00 -0.57 0.00 0.00 43.02 42.04 3jrm s PHE 35 CO 0.00 -0.01 0.98 -1.14 -0.10 0.00 0.00 175.22 174.95 3jrm s GLN 36 N -0.04 4.61 0.00 0.44 0.74 -1.26 -0.71 119.66 123.44 3jrm s GLN 36 Ca 0.01 1.44 0.00 0.00 0.05 0.00 0.00 55.36 56.86 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 0.05 0.27 0.44 -0.55 0.00 0.00 175.29 175.49 3jrm n ILE 37 N 3.45 0.00 -3.78 -2.34 -5.35 -0.14 -4.94 119.36 106.26 3jrm n ILE 37 Ca 0.05 -0.43 -0.06 0.00 -0.27 0.00 0.00 62.75 62.04 3jrm n ILE 37 Cb 0.50 1.09 0.02 0.00 -1.74 0.00 0.00 39.64 39.51 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 -0.32 -1.86 -0.12 7.28 2.03 -1.10 -4.53 116.55 117.93 3jrm n ASP 38 Ca 0.00 -2.16 -0.08 0.00 0.52 0.00 0.00 54.79 53.07 3jrm n ASP 38 Cb 0.02 3.06 -0.00 0.00 -0.72 0.00 0.00 41.12 43.48 3jrm n ASP 38 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3jrm h THR 39 N 1.90 1.11 -0.40 5.18 2.02 -1.99 -3.02 112.91 117.71 3jrm h THR 39 Ca -0.28 -0.23 -0.29 0.00 0.77 0.00 0.00 66.41 66.39 3jrm h THR 39 Cb 1.11 0.56 -0.22 0.00 -1.74 0.00 0.00 68.15 67.85 3jrm h THR 39 CO 0.36 0.11 -0.63 -1.22 0.37 0.00 0.00 175.52 174.51 3jrm n TYR 40 N -4.80 1.45 -4.10 3.16 4.01 -1.26 -3.13 117.16 112.49 3jrm n TYR 40 Ca 0.00 -1.88 -0.17 0.00 -0.16 0.00 0.00 57.90 55.69 3jrm n TYR 40 Cb 0.03 -0.32 -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 -3.94 0.38 0.15 -0.72 2.01 -1.14 -1.83 115.64 110.54 3jrm s THR 41 Ca 0.45 -0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.40 3jrm s THR 41 Cb 0.39 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 72.49 3jrm s THR 41 CO -0.01 0.15 -0.13 -0.83 -0.69 0.00 0.00 174.62 173.10 3jrm s GLY 42 N 0.42 1.17 -0.02 4.40 0.00 0.56 -0.97 107.32 112.89 3jrm s GLY 42 Ca -0.05 -1.43 0.01 0.00 0.00 0.00 0.00 44.72 43.25 3jrm s GLY 42 CO -0.00 -1.51 -0.03 -0.29 0.00 0.00 0.00 173.10 171.26 3jrm s MET 43 N -3.14 0.48 0.07 2.90 1.75 0.11 -0.52 119.30 120.94 3jrm s MET 43 Ca 0.14 -0.09 0.05 0.00 -1.25 0.00 0.00 55.69 54.54 3jrm s MET 43 Cb -0.02 -0.52 -0.04 0.00 2.84 0.00 0.00 34.83 37.09 3jrm s MET 43 CO 0.04 -0.00 -0.05 0.95 -0.65 0.00 0.00 175.02 175.31 3jrm s THR 44 N 0.43 3.73 -0.01 10.11 -4.23 -0.20 -1.11 115.64 124.37 3jrm s THR 44 Ca -0.05 -1.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.53 3jrm s THR 44 Cb -0.08 -2.73 -0.02 0.00 1.34 0.00 0.00 72.50 71.01 3jrm s THR 44 CO -0.00 0.20 -0.23 0.27 -0.54 0.00 0.00 174.62 174.31 3jrm s ILE 45 N -1.19 1.81 0.05 2.99 -4.36 -0.47 -2.13 121.20 117.90 3jrm s ILE 45 Ca 0.22 -1.00 -0.00 0.00 -0.26 0.00 0.00 60.65 59.61 3jrm s ILE 45 Cb -0.11 -1.51 -0.04 0.00 1.25 0.00 0.00 42.46 42.05 3jrm s ILE 45 CO 0.14 0.50 -0.04 0.00 0.24 0.00 0.00 174.94 175.77 3jrm s ALA 46 N -0.56 0.52 0.00 2.27 0.00 -0.86 -4.87 121.76 118.27 3jrm s ALA 46 Ca 0.09 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.96 3jrm s ALA 46 Cb -0.09 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.25 3jrm s ALA 46 CO -0.01 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.88 3jrm n GLY 47 N 0.45 -0.35 3.67 0.00 0.00 -1.26 -1.84 105.19 105.87 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 0.02 -4.90 118.68 122.19 3jrm s LEU 48 Ca 0.00 2.24 -0.24 0.00 -0.22 0.00 0.00 54.13 55.92 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 -0.87 1.69 0.58 -1.32 0.00 0.00 176.35 176.43 3jrm h VAL 49 N 5.27 0.73 -0.27 1.68 2.07 -1.92 -1.65 116.25 122.16 3jrm h VAL 49 Ca -0.39 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.19 3jrm h VAL 49 Cb 1.18 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 31.61 3jrm h VAL 49 CO 0.94 0.00 -0.21 1.23 0.02 0.00 0.00 177.57 179.55 3jrm h GLY 50 N -0.19 -0.06 0.68 2.17 0.00 -1.99 0.41 103.07 104.09 3jrm h GLY 50 Ca 0.04 0.26 0.04 0.00 0.00 0.00 0.00 47.33 47.67 3jrm h GLY 50 CO -0.10 -0.19 0.16 -0.55 0.00 0.00 0.00 176.54 175.86 3jrm h ASP 51 N -0.19 0.19 -0.34 0.19 3.32 -1.91 -1.94 116.42 115.74 3jrm h ASP 51 Ca 0.15 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.27 3jrm h ASP 51 Cb 0.42 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 3jrm h ASP 51 CO -0.39 0.14 0.15 0.00 -1.72 0.00 0.00 179.24 177.42 3jrm h ALA 52 N 1.25 0.40 -0.60 3.45 0.00 -0.46 -2.12 119.26 121.19 3jrm h ALA 52 Ca 0.18 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3jrm h ALA 52 Cb 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3jrm h ALA 52 CO -0.17 -0.24 0.01 1.96 0.00 0.00 0.00 179.25 180.81 3jrm h GLN 53 N 0.31 1.05 -0.20 0.00 4.20 -0.76 0.77 115.11 120.48 3jrm h GLN 53 Ca 0.15 -0.33 0.03 0.00 0.06 0.00 0.00 58.65 58.56 3jrm h GLN 53 Cb 0.08 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 3jrm h GLN 53 CO -0.12 1.02 -0.01 0.28 -0.67 0.00 0.00 178.83 179.33 3jrm h VAL 54 N 0.94 0.85 -0.72 -0.54 2.07 -1.27 -2.42 116.25 115.16 3jrm h VAL 54 Ca 0.17 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 3jrm h VAL 54 Cb 0.54 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3jrm h VAL 54 CO 0.03 0.01 0.39 -0.07 0.02 0.00 0.00 177.57 177.95 3jrm h LEU 55 N 0.06 0.89 -0.30 2.57 3.38 -0.69 -0.82 115.31 120.39 3jrm h LEU 55 Ca 0.10 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3jrm h LEU 55 Cb 0.12 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3jrm h LEU 55 CO -0.17 0.72 0.14 0.58 0.09 0.00 0.00 178.44 179.80 3jrm h VAL 56 N 1.00 0.99 -0.44 1.22 2.07 -0.59 -0.98 116.25 119.51 3jrm h VAL 56 Ca 0.25 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 3jrm h VAL 56 Cb 0.03 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3jrm h VAL 56 CO -0.04 0.06 0.22 0.03 0.02 0.00 0.00 177.57 177.85 3jrm h ARG 57 N 0.30 0.63 -0.36 1.57 3.08 -0.95 -1.32 114.38 117.34 3jrm h ARG 57 Ca 0.12 -0.09 0.06 0.00 0.07 0.00 0.00 59.98 60.14 3jrm h ARG 57 Cb 0.04 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 29.93 3jrm h ARG 57 CO -0.09 0.54 0.05 1.88 -1.07 0.00 0.00 179.97 181.27 3jrm h TYR 58 N 0.57 0.07 -0.44 3.04 0.99 -0.87 -1.52 116.97 118.82 3jrm h TYR 58 Ca 0.15 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.87 3jrm h TYR 58 Cb 0.11 0.02 -0.02 0.00 1.00 0.00 0.00 36.73 37.84 3jrm h TYR 58 CO -0.01 -0.01 0.13 0.52 -0.00 0.00 0.00 178.16 178.78 3jrm h MET 59 N 0.16 0.68 -0.38 4.88 2.86 -0.88 0.57 114.93 122.82 3jrm h MET 59 Ca 0.17 -0.15 0.07 0.00 -2.06 0.00 0.00 59.70 57.73 3jrm h MET 59 Cb 0.22 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.71 3jrm h MET 59 CO -0.25 0.67 -0.06 0.87 1.06 0.00 0.00 176.91 179.20 3jrm h LYS 60 N 0.57 0.03 0.18 1.72 1.57 -1.04 0.38 116.57 119.98 3jrm h LYS 60 Ca 0.14 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3jrm h LYS 60 Cb 0.28 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3jrm h LYS 60 CO -0.00 0.02 -0.09 0.00 -0.57 0.00 0.00 179.45 178.81 3jrm h ALA 61 N 1.36 -0.24 -0.22 3.86 0.00 -0.65 -1.72 119.26 121.65 3jrm h ALA 61 Ca 0.18 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3jrm h ALA 61 Cb 0.27 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3jrm h ALA 61 CO -0.36 -0.56 -0.16 1.49 0.00 0.00 0.00 179.25 179.66 3jrm h GLU 62 N -0.40 0.38 0.17 0.00 4.22 0.49 -1.30 114.58 118.14 3jrm h GLU 62 Ca -0.02 -0.11 -0.31 0.00 0.08 0.00 0.00 59.36 59.00 3jrm h GLU 62 Cb 0.31 -0.04 0.03 0.00 0.50 0.00 0.00 28.75 29.55 3jrm h GLU 62 CO 0.04 0.54 -1.32 -0.07 -2.18 0.00 0.00 179.01 176.02 3jrm h LEU 63 N 0.35 0.79 -0.27 1.64 3.38 -0.92 -1.74 115.31 118.54 3jrm h LEU 63 Ca 0.06 -0.78 0.02 0.00 0.09 0.00 0.00 57.88 57.27 3jrm h LEU 63 Cb 0.50 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3jrm h LEU 63 CO 0.03 1.59 0.13 -0.08 0.09 0.00 0.00 178.44 180.20 3jrm h GLU 64 N 0.20 0.27 -0.09 1.13 4.81 -1.04 -1.36 114.58 118.50 3jrm h GLU 64 Ca -0.20 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.03 3jrm h GLU 64 Cb 2.00 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 31.31 3jrm h GLU 64 CO 0.24 0.18 -0.01 1.25 -0.73 0.00 0.00 179.01 179.94 3jrm h LEU 65 N 0.27 -0.06 -0.57 1.64 5.85 -1.27 -2.28 115.31 118.89 3jrm h LEU 65 Ca 0.11 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.95 3jrm h LEU 65 Cb 0.04 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 3jrm h LEU 65 CO -0.08 -0.02 0.18 0.22 -0.34 0.00 0.00 178.44 178.40 3jrm h TYR 66 N 0.02 0.30 -0.74 1.25 5.03 -1.08 -1.22 116.97 120.53 3jrm h TYR 66 Ca 0.04 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.35 3jrm h TYR 66 Cb 0.06 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.26 3jrm h TYR 66 CO -0.14 0.06 0.33 -0.09 -1.32 0.00 0.00 178.16 177.00 3jrm h ARG 67 N 0.34 1.08 -0.36 1.82 2.43 -0.91 0.25 114.38 119.03 3jrm h ARG 67 Ca 0.29 -0.17 -0.13 0.00 -0.81 0.00 0.00 59.98 59.15 3jrm h ARG 67 Cb 0.37 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 3jrm h ARG 67 CO -0.32 0.86 -0.31 -0.07 -1.51 0.00 0.00 179.97 178.62 3jrm h LEU 68 N 1.05 0.83 -0.42 3.80 3.38 -0.97 0.33 115.31 123.31 3jrm h LEU 68 Ca 0.25 -0.34 -0.18 0.00 0.09 0.00 0.00 57.88 57.70 3jrm h LEU 68 Cb 0.16 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3jrm h LEU 68 CO -0.03 1.08 -0.67 1.56 0.09 0.00 0.00 178.44 180.47 3jrm h GLN 69 N 0.67 0.49 0.00 1.13 4.20 -0.60 -3.34 115.11 117.66 3jrm h GLN 69 Ca 0.07 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.42 3jrm h GLN 69 Cb 0.86 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.70 3jrm h GLN 69 CO 0.07 0.99 -1.87 0.54 -0.67 0.00 0.00 178.83 177.89 3jrm n ARG 70 N -3.89 0.61 -1.33 1.46 3.00 0.81 -4.98 116.66 112.34 3jrm n ARG 70 Ca -0.04 -0.18 -0.11 0.00 -0.01 0.00 0.00 57.85 57.51 3jrm n ARG 70 Cb 0.68 -1.49 -0.05 0.00 0.00 0.00 0.00 32.46 31.60 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 -2.16 -1.56 -4.12 5.56 1.74 0.12 -4.97 116.66 111.26 3jrm n ARG 71 Ca -0.03 0.88 -0.13 0.00 -0.77 0.00 0.00 57.85 57.80 3jrm n ARG 71 Cb 0.52 -5.23 -0.11 0.00 -1.02 0.00 0.00 32.46 26.62 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 -2.03 0.69 0.53 1.55 -7.23 -1.24 -5.04 120.40 107.62 3jrm s VAL 72 Ca 0.00 -1.46 -0.21 0.00 -1.81 0.00 0.00 61.98 58.50 3jrm s VAL 72 Cb 0.00 -1.11 -0.06 0.00 0.56 0.00 0.00 36.38 35.77 3jrm s VAL 72 CO 0.00 -0.56 1.17 0.20 -0.31 0.00 0.00 175.10 175.60 3jrm s ASN 73 N -2.21 5.74 0.16 4.85 -0.87 -1.26 -4.19 114.94 117.16 3jrm s ASN 73 Ca 0.00 2.29 -0.31 0.00 -1.57 0.00 0.00 52.86 53.27 3jrm s ASN 73 Cb -0.04 -2.59 -0.11 0.00 -0.02 0.00 0.00 41.25 38.49 3jrm s ASN 73 CO -0.01 -1.21 1.71 -0.32 -2.57 0.00 0.00 177.10 174.70 3jrm s MET 74 N -3.09 4.15 0.49 -0.60 -2.45 -1.26 -4.96 119.30 111.59 3jrm s MET 74 Ca 0.71 2.52 -0.22 0.00 -1.25 0.00 0.00 55.69 57.45 3jrm s MET 74 Cb -0.27 -3.29 -0.09 0.00 1.25 0.00 0.00 34.83 32.43 3jrm s MET 74 CO 0.32 -0.74 0.92 -2.30 1.05 0.00 0.00 175.02 174.27 3jrm n PRO 75 N 4.60 1.10 -0.20 4.11 -0.02 -1.26 -4.79 135.00 138.55 3jrm n PRO 75 Ca 0.16 0.40 -0.08 0.00 -2.02 0.00 0.00 63.50 61.96 3jrm n PRO 75 Cb 0.37 -2.02 0.02 0.00 -0.02 0.00 0.00 33.50 31.85 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 1.06 1.24 -0.08 4.25 1.08 -1.93 -0.01 117.51 123.13 3jrm h ILE 76 Ca -0.46 -0.86 0.01 0.00 -0.39 0.00 0.00 64.86 63.16 3jrm h ILE 76 Cb 1.35 0.74 -0.00 0.00 -3.07 0.00 0.00 36.82 35.84 3jrm h ILE 76 CO 0.54 0.32 0.06 -0.08 -0.69 0.00 0.00 178.15 178.29 3jrm h GLU 77 N 0.79 0.09 -0.52 2.37 4.81 -1.99 -1.65 114.58 118.47 3jrm h GLU 77 Ca 0.18 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.28 3jrm h GLU 77 Cb 0.33 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3jrm h GLU 77 CO -0.00 0.06 -0.14 0.00 -0.73 0.00 0.00 179.01 178.20 3jrm h ALA 78 N 1.95 0.76 -0.48 2.92 0.00 -1.38 -0.27 119.26 122.76 3jrm h ALA 78 Ca 0.03 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 3jrm h ALA 78 Cb 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3jrm h ALA 78 CO -0.01 0.67 0.20 0.28 0.00 0.00 0.00 179.25 180.39 3jrm h VAL 79 N 0.89 1.21 -0.79 0.00 2.07 -0.44 0.22 116.25 119.41 3jrm h VAL 79 Ca 0.13 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.96 3jrm h VAL 79 Cb 0.71 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3jrm h VAL 79 CO 0.05 0.24 0.30 0.00 0.02 0.00 0.00 177.57 178.18 3jrm h ALA 80 N 1.04 1.04 -0.38 1.67 0.00 -1.26 -2.02 119.26 119.36 3jrm h ALA 80 Ca 0.16 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3jrm h ALA 80 Cb 0.19 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3jrm h ALA 80 CO -0.01 0.67 -0.25 1.15 0.00 0.00 0.00 179.25 180.81 3jrm h THR 81 N 1.15 1.27 0.15 0.00 2.02 -0.61 -0.43 112.91 116.47 3jrm h THR 81 Ca 0.26 -1.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.07 3jrm h THR 81 Cb 0.24 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3jrm h THR 81 CO -0.02 0.45 -0.07 0.25 0.37 0.00 0.00 175.52 176.50 3jrm h LEU 82 N 0.66 -0.17 -0.99 2.58 5.85 -0.80 -1.49 115.31 120.96 3jrm h LEU 82 Ca 0.09 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3jrm h LEU 82 Cb 0.76 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 3jrm h LEU 82 CO 0.06 -0.10 0.54 -0.07 -0.34 0.00 0.00 178.44 178.53 3jrm h LEU 83 N -0.22 1.10 -0.00 2.25 3.38 -1.22 -0.98 115.31 119.62 3jrm h LEU 83 Ca -0.02 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3jrm h LEU 83 Cb 0.17 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3jrm h LEU 83 CO 0.03 0.85 -0.34 -1.28 0.09 0.00 0.00 178.44 177.79 3jrm h SER 84 N 1.26 -1.03 -0.56 -0.43 0.87 -0.87 -1.15 113.55 111.65 3jrm h SER 84 Ca 0.33 0.13 0.01 0.00 -1.23 0.00 0.00 61.79 61.03 3jrm h SER 84 Cb -0.04 0.41 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 3jrm h SER 84 CO -0.06 -0.40 0.36 0.78 -0.53 0.00 0.00 176.83 176.97 3jrm h ASN 85 N -0.50 0.60 -0.33 6.23 2.35 -0.83 -1.75 115.58 121.36 3jrm h ASN 85 Ca 0.06 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 3jrm h ASN 85 Cb 0.58 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3jrm h ASN 85 CO -0.28 0.43 0.12 0.24 -1.65 0.00 0.00 177.43 176.29 3jrm h MET 86 N 0.72 0.50 -0.11 0.81 2.86 -0.89 -0.93 114.93 117.88 3jrm h MET 86 Ca 0.21 -0.10 -0.22 0.00 -2.06 0.00 0.00 59.70 57.53 3jrm h MET 86 Cb -0.04 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 31.55 3jrm h MET 86 CO -0.06 0.52 -0.81 -0.07 1.06 0.00 0.00 176.91 177.54 3jrm h LEU 87 N 0.37 0.82 -0.59 1.22 4.07 -1.18 -3.07 115.31 116.96 3jrm h LEU 87 Ca 0.11 -0.56 -0.13 0.00 0.08 0.00 0.00 57.88 57.38 3jrm h LEU 87 Cb 0.22 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 3jrm h LEU 87 CO -0.01 1.34 -0.30 -1.13 -1.08 0.00 0.00 178.44 177.27 3jrm h ASN 88 N 0.45 0.83 -0.97 -0.43 -0.73 -1.29 -2.68 115.58 110.76 3jrm h ASN 88 Ca -0.06 -0.34 0.22 0.00 1.87 0.00 0.00 56.30 57.99 3jrm h ASN 88 Cb 1.43 -0.23 -0.08 0.00 0.27 0.00 0.00 38.32 39.71 3jrm h ASN 88 CO 0.16 1.07 0.63 1.56 -0.37 0.00 0.00 177.43 180.48 3jrm h GLN 89 N 0.68 0.46 -0.58 6.67 4.20 -1.07 -1.57 115.11 123.90 3jrm h GLN 89 Ca 0.08 -0.03 -0.36 0.00 0.06 0.00 0.00 58.65 58.40 3jrm h GLN 89 Cb 0.84 -0.10 -0.22 0.00 0.30 0.00 0.00 27.48 28.30 3jrm h GLN 89 CO 0.07 0.30 -0.06 1.33 -0.67 0.00 0.00 178.83 179.81 3jrm n VAL 90 N -4.58 2.76 0.09 -0.54 0.24 -1.03 -4.81 118.33 110.46 3jrm n VAL 90 Ca 0.22 -3.07 0.10 0.00 -2.04 0.00 0.00 64.34 59.55 3jrm n VAL 90 Cb 0.73 -0.64 0.57 0.00 -1.47 0.00 0.00 33.84 33.04 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 1.41 0.20 0.00 7.34 2.10 -1.10 -0.11 116.57 126.40 3jrm h LYS 91 Ca 0.34 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.98 3jrm h LYS 91 Cb 1.58 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.86 3jrm h LYS 91 CO 0.70 0.13 -0.22 0.66 -2.00 0.00 0.00 179.45 178.72 3jrm n TYR 92 N -4.49 0.10 -3.09 0.07 4.02 -1.26 -3.80 117.16 108.71 3jrm n TYR 92 Ca 0.03 0.03 -0.19 0.00 -0.01 0.00 0.00 57.90 57.75 3jrm n TYR 92 Cb 0.22 -0.45 -0.03 0.00 -0.02 0.00 0.00 39.34 39.06 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 -1.59 1.48 -1.57 -0.72 2.81 -0.12 -5.13 117.12 112.29 3jrm n MET 93 Ca 0.06 -3.69 -0.31 0.00 -1.81 0.00 0.00 57.70 51.95 3jrm n MET 93 Cb 0.35 -1.80 0.05 0.00 -0.71 0.00 0.00 33.22 31.12 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 -2.71 2.91 -0.28 0.03 0.04 -0.83 -4.93 135.00 129.24 3jrm s PRO 94 Ca 0.41 0.94 -0.29 0.00 0.04 0.00 0.00 61.00 62.10 3jrm s PRO 94 Cb 0.34 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.89 3jrm s PRO 94 CO -0.09 -1.12 1.42 0.71 0.04 0.00 0.00 177.00 177.97 3jrm s TYR 95 N -3.05 2.47 -1.30 0.56 1.51 -1.26 -4.94 117.35 111.33 3jrm s TYR 95 Ca 0.58 0.75 -0.12 0.00 -1.01 0.00 0.00 57.07 57.26 3jrm s TYR 95 Cb -0.14 -3.95 0.13 0.00 -0.11 0.00 0.00 41.96 37.89 3jrm s TYR 95 CO 0.55 -2.15 1.81 -1.33 -1.11 0.00 0.00 175.55 173.32 3jrm n MET 96 N 7.48 3.36 -4.10 -0.62 2.81 -1.26 -4.59 117.12 120.20 3jrm n MET 96 Ca 0.16 -3.41 -0.08 0.00 -1.81 0.00 0.00 57.70 52.56 3jrm n MET 96 Cb 0.46 -3.09 -0.10 0.00 -0.71 0.00 0.00 33.22 29.78 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 1.68 0.15 -0.11 2.03 -7.23 -1.26 -0.80 120.40 114.87 3jrm s VAL 97 Ca 0.44 -1.82 0.03 0.00 -1.81 0.00 0.00 61.98 58.82 3jrm s VAL 97 Cb 0.07 -1.78 0.01 0.00 0.56 0.00 0.00 36.38 35.24 3jrm s VAL 97 CO -0.00 -0.70 -0.20 -1.10 -0.31 0.00 0.00 175.10 172.78 3jrm s GLN 98 N -3.98 2.69 -0.05 4.82 -0.21 -0.77 -2.86 119.66 119.30 3jrm s GLN 98 Ca 0.15 -0.75 0.05 0.00 0.02 0.00 0.00 55.36 54.84 3jrm s GLN 98 Cb 0.07 -2.12 -0.02 0.00 1.00 0.00 0.00 33.01 31.94 3jrm s GLN 98 CO -0.04 0.07 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.48 3jrm s LEU 99 N 0.62 2.33 -0.13 2.90 1.43 -0.21 -2.02 118.68 123.60 3jrm s LEU 99 Ca -0.13 -0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 52.55 3jrm s LEU 99 Cb -0.17 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 3jrm s LEU 99 CO 0.04 0.30 -0.01 -0.76 0.23 0.00 0.00 176.35 176.14 3jrm s LEU 100 N -0.46 3.46 -0.15 1.79 1.43 -0.91 -0.83 118.68 123.01 3jrm s LEU 100 Ca 0.05 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 3jrm s LEU 100 Cb -0.12 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.30 3jrm s LEU 100 CO 0.01 0.26 -0.18 -0.69 0.23 0.00 0.00 176.35 175.98 3jrm s VAL 101 N -0.18 1.87 0.05 -1.59 1.01 -0.39 -1.03 120.40 120.12 3jrm s VAL 101 Ca 0.05 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.24 3jrm s VAL 101 Cb -0.13 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 3jrm s VAL 101 CO 0.02 0.51 -0.14 -0.83 0.00 0.00 0.00 175.10 174.66 3jrm s GLY 102 N 1.20 0.80 -0.06 4.51 0.00 0.32 -0.47 107.32 113.62 3jrm s GLY 102 Ca 0.01 -0.88 -0.24 0.00 0.00 0.00 0.00 44.72 43.61 3jrm s GLY 102 CO -0.09 -0.87 1.08 0.61 0.00 0.00 0.00 173.10 173.83 3jrm n GLY 103 N 1.68 0.18 3.26 0.20 0.00 -0.60 -0.32 105.19 109.59 3jrm n GLY 103 Ca -0.19 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 3jrm n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jrm s ILE 104 N -2.01 2.49 0.00 -0.61 -1.09 -0.76 -0.95 121.20 118.27 3jrm s ILE 104 Ca 0.26 -0.84 0.00 0.00 -2.23 0.00 0.00 60.65 57.83 3jrm s ILE 104 Cb -0.00 -2.02 0.00 0.00 -1.58 0.00 0.00 42.46 38.86 3jrm s ILE 104 CO -0.02 0.53 0.00 -0.90 -1.23 0.00 0.00 174.94 173.32 3jrm n ASP 105 N 3.82 0.00 0.09 3.58 5.68 -1.26 -4.79 116.55 123.68 3jrm n ASP 105 Ca -0.19 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.22 3jrm n ASP 105 Cb 0.52 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 40.96 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 0.68 -3.92 2.12 -2.24 -1.26 -4.86 114.28 104.80 3jrm n THR 106 Ca 0.00 0.02 -0.09 0.00 -2.27 0.00 0.00 64.05 61.71 3jrm n THR 106 Cb 0.00 -0.87 -0.05 0.00 -2.10 0.00 0.00 70.33 67.31 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 -3.17 -0.39 0.49 6.98 0.00 -1.26 -5.16 121.76 119.25 3jrm s ALA 107 Ca 0.08 -0.69 -0.19 0.00 0.00 0.00 0.00 51.96 51.16 3jrm s ALA 107 Cb 0.11 0.95 -0.08 0.00 0.00 0.00 0.00 23.12 24.11 3jrm s ALA 107 CO 0.47 -0.79 1.01 -2.14 0.00 0.00 0.00 175.76 174.30 3jrm s PRO 108 N -3.96 3.86 -0.08 0.00 0.02 -1.26 -4.36 135.00 129.22 3jrm s PRO 108 Ca 0.17 1.21 -0.16 0.00 0.02 0.00 0.00 61.00 62.24 3jrm s PRO 108 Cb 0.00 -2.11 0.03 0.00 0.02 0.00 0.00 34.50 32.44 3jrm s PRO 108 CO 0.04 -0.36 0.38 -1.01 -0.33 0.00 0.00 177.00 175.72 3jrm s HIS 109 N -2.21 -0.34 -0.05 6.54 3.76 -0.12 -4.97 115.29 117.91 3jrm s HIS 109 Ca 0.64 0.69 0.02 0.00 -0.15 0.00 0.00 55.06 56.26 3jrm s HIS 109 Cb -0.13 0.15 0.02 0.00 1.11 0.00 0.00 32.58 33.72 3jrm s HIS 109 CO 0.22 -0.33 -0.08 0.08 -0.85 0.00 0.00 174.74 173.79 3jrm s VAL 110 N -0.65 0.77 0.03 -0.90 1.01 -1.26 -1.55 120.40 117.85 3jrm s VAL 110 Ca -0.07 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 61.71 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 -0.23 -0.36 0.00 0.00 0.00 175.10 174.81 3jrm s PHE 111 N 0.75 2.02 -0.18 5.22 0.40 0.38 -1.97 117.98 124.59 3jrm s PHE 111 Ca -0.12 -0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 55.81 3jrm s PHE 111 Cb -0.14 -1.22 0.00 0.00 0.51 0.00 0.00 43.02 42.17 3jrm s PHE 111 CO 0.02 0.08 -0.13 0.45 0.70 0.00 0.00 175.22 176.34 3jrm s SER 112 N -1.08 3.72 -0.05 1.36 0.15 -0.61 -1.27 113.70 115.91 3jrm s SER 112 Ca 0.09 -0.49 0.05 0.00 0.70 0.00 0.00 55.95 56.29 3jrm s SER 112 Cb -0.09 -1.60 -0.02 0.00 -1.71 0.00 0.00 66.02 62.60 3jrm s SER 112 CO 0.01 0.03 -0.19 -0.63 1.20 0.00 0.00 173.24 173.66 3jrm s ILE 113 N 1.15 2.63 0.55 6.45 1.09 -0.01 -1.73 121.20 131.32 3jrm s ILE 113 Ca 0.01 -0.87 0.08 0.00 -1.10 0.00 0.00 60.65 58.76 3jrm s ILE 113 Cb -0.14 -2.00 0.08 0.00 -1.06 0.00 0.00 42.46 39.33 3jrm s ILE 113 CO -0.05 0.58 0.64 -0.90 -0.10 0.00 0.00 174.94 175.11 3jrm n ASP 114 N 2.62 2.27 0.08 3.58 5.68 -0.05 -1.04 116.55 129.69 3jrm n ASP 114 Ca -0.17 -2.60 0.11 0.00 -0.50 0.00 0.00 54.79 51.62 3jrm n ASP 114 Cb 0.52 -0.28 0.44 0.00 -1.14 0.00 0.00 41.12 40.66 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 -2.20 1.74 0.09 2.12 0.00 -1.14 -1.99 120.51 119.14 3jrm n ALA 115 Ca -0.14 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.44 3jrm n ALA 115 Cb 0.59 -1.35 0.24 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.68 2.39 -0.55 0.00 0.00 -1.26 -4.53 120.51 114.88 3jrm n ALA 116 Ca 0.03 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.39 3jrm n ALA 116 Cb 0.23 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 1.46 0.74 3.69 0.00 0.00 -0.84 -3.81 105.19 106.43 3jrm n GLY 117 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.85 1.99 -0.11 -0.02 0.00 -1.26 -4.46 107.32 101.61 3jrm s GLY 118 Ca 0.00 0.75 0.02 0.00 0.00 0.00 0.00 44.72 45.50 3jrm s GLY 118 CO 0.00 2.35 -0.18 -0.45 0.00 0.00 0.00 173.10 174.82 3jrm s SER 119 N 1.65 2.61 -0.04 1.64 0.15 -1.26 -0.87 113.70 117.59 3jrm s SER 119 Ca 0.60 -0.47 0.03 0.00 0.70 0.00 0.00 55.95 56.80 3jrm s SER 119 Cb -0.28 -1.19 0.01 0.00 -1.71 0.00 0.00 66.02 62.85 3jrm s SER 119 CO 0.24 0.05 -0.11 -0.69 1.20 0.00 0.00 173.24 173.93 3jrm s VAL 120 N 0.84 0.98 0.38 4.45 1.01 -0.71 -4.96 120.40 122.39 3jrm s VAL 120 Ca -0.09 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 3jrm s VAL 120 Cb -0.15 -0.88 -0.09 0.00 0.00 0.00 0.00 36.38 35.26 3jrm s VAL 120 CO 0.00 0.30 0.83 -0.70 0.00 0.00 0.00 175.10 175.54 3jrm s GLU 121 N 0.34 4.05 0.14 2.72 2.12 -1.26 -1.57 118.70 125.25 3jrm s GLU 121 Ca -0.07 0.83 -0.24 0.00 0.36 0.00 0.00 54.97 55.85 3jrm s GLU 121 Cb -0.11 -2.31 0.07 0.00 0.26 0.00 0.00 34.13 32.03 3jrm s GLU 121 CO 0.02 0.03 0.62 0.34 -0.54 0.00 0.00 175.26 175.73 3jrm s ASP 122 N -2.40 -0.56 0.30 -1.70 -1.08 -0.83 -4.98 116.67 105.42 3jrm s ASP 122 Ca 0.57 0.01 0.12 0.00 -0.52 0.00 0.00 52.55 52.73 3jrm s ASP 122 Cb -0.10 0.58 0.43 0.00 -1.46 0.00 0.00 42.92 42.38 3jrm s ASP 122 CO 0.19 -0.94 1.65 0.16 0.52 0.00 0.00 175.17 176.74 3jrm h ILE 123 N 2.02 1.34 -3.69 4.11 3.07 -1.95 -3.35 117.51 119.06 3jrm h ILE 123 Ca -0.33 -1.96 -0.08 0.00 1.55 0.00 0.00 64.86 64.04 3jrm h ILE 123 Cb 1.30 2.08 -0.13 0.00 -0.27 0.00 0.00 36.82 39.80 3jrm h ILE 123 CO 0.37 0.55 -0.26 -0.72 -1.05 0.00 0.00 178.15 177.05 3jrm s TYR 124 N -3.65 0.09 -0.00 0.16 -0.85 -1.26 -1.11 117.35 110.72 3jrm s TYR 124 Ca -0.01 -0.48 -0.28 0.00 -0.52 0.00 0.00 57.07 55.78 3jrm s TYR 124 Cb 0.13 0.05 0.07 0.00 0.38 0.00 0.00 41.96 42.58 3jrm s TYR 124 CO 0.75 -0.64 0.63 0.00 -1.52 0.00 0.00 175.55 174.77 3jrm s ALA 125 N -3.87 -1.64 0.04 9.51 0.00 -0.47 -5.01 121.76 120.32 3jrm s ALA 125 Ca 0.07 1.06 0.01 0.00 0.00 0.00 0.00 51.96 53.10 3jrm s ALA 125 Cb 0.03 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 3jrm s ALA 125 CO -0.09 -0.44 -0.06 0.45 0.00 0.00 0.00 175.76 175.62 3jrm s SER 126 N -1.53 0.68 0.09 0.00 0.15 -1.26 -0.87 113.70 110.95 3jrm s SER 126 Ca -0.09 -0.56 0.01 0.00 0.70 0.00 0.00 55.95 56.01 3jrm s SER 126 Cb -0.00 0.06 -0.04 0.00 -1.71 0.00 0.00 66.02 64.32 3jrm s SER 126 CO 0.05 -0.25 -0.05 0.42 1.20 0.00 0.00 173.24 174.61 3jrm s THR 127 N -1.53 0.52 0.00 6.45 -4.23 -0.63 -4.91 115.64 111.32 3jrm s THR 127 Ca -0.11 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3jrm s THR 127 Cb -0.09 -1.65 0.00 0.00 1.34 0.00 0.00 72.50 72.10 3jrm s THR 127 CO -0.00 -0.89 0.00 0.61 -0.54 0.00 0.00 174.62 173.79 3jrm n GLY 128 N 0.00 0.54 0.35 3.99 0.00 -1.26 -1.34 105.19 107.48 3jrm n GLY 128 Ca -0.12 -1.91 0.13 0.00 0.00 0.00 0.00 46.02 44.12 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 0.28 -0.04 1.61 4.64 -1.58 -0.81 113.55 117.66 3jrm h SER 129 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3jrm h SER 129 Cb 0.00 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3jrm h SER 129 CO 0.00 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 3jrm n GLY 130 N -1.54 -0.53 0.24 -0.77 0.00 -0.29 -4.32 105.19 97.98 3jrm n GLY 130 Ca 0.09 -0.27 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.95 0.34 -0.08 1.61 4.64 -1.33 -2.61 113.55 117.06 3jrm h SER 131 Ca 0.00 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.18 3jrm h SER 131 Cb 0.20 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 3jrm h SER 131 CO 0.00 0.53 -0.07 -0.65 -0.87 0.00 0.00 176.83 175.77 3jrm h PRO 132 N 0.33 0.35 -0.41 4.77 0.11 -1.80 0.89 132.00 136.23 3jrm h PRO 132 Ca 0.06 -0.08 -0.13 0.00 0.11 0.00 0.00 66.00 65.97 3jrm h PRO 132 Cb 0.49 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 3jrm h PRO 132 CO 0.03 0.44 -0.23 0.74 -0.21 0.00 0.00 178.00 178.76 3jrm h PHE 133 N 0.33 1.02 -0.60 0.65 0.04 -1.79 -2.15 116.94 114.44 3jrm h PHE 133 Ca 0.07 -0.26 -0.00 0.00 2.80 0.00 0.00 57.97 60.58 3jrm h PHE 133 Cb 0.34 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 3jrm h PHE 133 CO 0.01 1.05 0.37 0.28 -0.60 0.00 0.00 178.31 179.42 3jrm h VAL 134 N 0.70 1.17 -0.43 -0.55 2.07 -1.24 -1.90 116.25 116.07 3jrm h VAL 134 Ca 0.09 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3jrm h VAL 134 Cb 0.80 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3jrm h VAL 134 CO 0.07 0.18 0.27 1.88 0.02 0.00 0.00 177.57 179.98 3jrm h TYR 135 N 0.82 0.55 0.56 1.57 0.05 -0.59 0.56 116.97 120.48 3jrm h TYR 135 Ca 0.22 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.98 3jrm h TYR 135 Cb -0.04 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 37.52 3jrm h TYR 135 CO -0.02 0.36 -0.30 0.78 -1.05 0.00 0.00 178.16 177.92 3jrm h GLY 136 N 0.60 -0.84 0.77 3.88 0.00 -0.71 -0.56 103.07 106.23 3jrm h GLY 136 Ca 0.16 0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.85 3jrm h GLY 136 CO -0.03 -0.31 0.25 -2.08 0.00 0.00 0.00 176.54 174.37 3jrm h VAL 137 N -0.79 0.98 -0.46 4.60 2.07 -0.81 -2.53 116.25 119.30 3jrm h VAL 137 Ca -0.07 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 3jrm h VAL 137 Cb 0.63 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3jrm h VAL 137 CO 0.10 0.09 0.06 -0.07 0.02 0.00 0.00 177.57 177.77 3jrm h LEU 138 N 0.49 0.74 -0.89 2.57 3.38 -0.84 -0.37 115.31 120.40 3jrm h LEU 138 Ca 0.20 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.99 3jrm h LEU 138 Cb 0.10 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 3jrm h LEU 138 CO -0.13 0.83 0.55 -0.33 0.09 0.00 0.00 178.44 179.44 3jrm h GLU 139 N 0.63 0.92 0.03 1.13 4.39 -0.81 -0.59 114.58 120.29 3jrm h GLU 139 Ca 0.14 -0.06 -0.25 0.00 0.34 0.00 0.00 59.36 59.54 3jrm h GLU 139 Cb 0.41 -0.21 0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3jrm h GLU 139 CO 0.01 0.61 -1.03 1.03 -1.16 0.00 0.00 179.01 178.47 3jrm h SER 140 N 0.95 0.61 -0.00 1.42 0.87 -1.15 -3.40 113.55 112.85 3jrm h SER 140 Ca 0.41 -0.52 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 3jrm h SER 140 Cb 0.28 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 3jrm h SER 140 CO -0.21 1.33 -0.04 0.00 -0.53 0.00 0.00 176.83 177.38 3jrm n GLN 141 N -3.74 6.40 -2.67 2.24 6.02 -0.17 -5.02 117.38 120.44 3jrm n GLN 141 Ca -0.08 -0.02 -0.41 0.00 -0.01 0.00 0.00 57.00 56.47 3jrm n GLN 141 Cb 0.88 -0.56 -0.04 0.00 1.02 0.00 0.00 30.24 31.54 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 -1.05 3.75 -0.02 1.08 5.04 -0.27 -5.02 117.35 120.86 3jrm s TYR 142 Ca 0.00 1.73 0.06 0.00 -2.44 0.00 0.00 57.07 56.43 3jrm s TYR 142 Cb 0.01 -3.12 -0.02 0.00 0.35 0.00 0.00 41.96 39.18 3jrm s TYR 142 CO 0.04 -0.04 -0.21 0.45 -1.34 0.00 0.00 175.55 174.46 3jrm s SER 143 N 0.05 2.42 0.49 4.32 0.15 -1.26 -4.99 113.70 114.87 3jrm s SER 143 Ca 0.48 -0.37 0.19 0.00 0.70 0.00 0.00 55.95 56.94 3jrm s SER 143 Cb -0.25 -0.30 1.23 0.00 -1.71 0.00 0.00 66.02 64.99 3jrm s SER 143 CO 0.31 0.25 2.03 -0.33 1.20 0.00 0.00 173.24 176.70 3jrm h GLU 144 N 5.66 0.15 -0.07 5.44 5.08 -1.96 -2.39 114.58 126.49 3jrm h GLU 144 Ca -0.39 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 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 0.48 0.10 0.00 1.63 -1.00 0.00 0.00 179.01 180.22 3jrm n LYS 145 N -4.45 1.29 -1.85 2.33 5.02 -1.26 -4.29 118.16 114.95 3jrm n LYS 145 Ca 0.06 -0.44 -0.36 0.00 -2.02 0.00 0.00 58.31 55.55 3jrm n LYS 145 Cb 0.38 -1.32 0.05 0.00 -0.02 0.00 0.00 35.03 34.12 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 -1.91 2.73 0.64 1.97 -1.94 -0.90 -5.03 119.30 114.85 3jrm s MET 146 Ca 0.29 1.88 -0.08 0.00 -1.71 0.00 0.00 55.69 56.06 3jrm s MET 146 Cb 0.14 -1.89 0.01 0.00 2.01 0.00 0.00 34.83 35.10 3jrm s MET 146 CO 0.23 -1.41 0.98 0.95 -0.01 0.00 0.00 175.02 175.76 3jrm s THR 147 N -1.61 3.60 0.27 2.05 -4.23 -1.26 -4.69 115.64 109.77 3jrm s THR 147 Ca 0.78 0.21 -0.01 0.00 -1.18 0.00 0.00 61.69 61.49 3jrm s THR 147 Cb -0.32 -3.47 0.26 0.00 1.34 0.00 0.00 72.50 70.31 3jrm s THR 147 CO 0.37 -0.54 1.84 0.58 -0.54 0.00 0.00 174.62 176.33 3jrm h VAL 148 N -0.38 0.97 -0.60 2.29 2.07 -1.99 -0.50 116.25 118.12 3jrm h VAL 148 Ca -0.45 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 3jrm h VAL 148 Cb 1.25 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3jrm h VAL 148 CO 0.62 0.18 0.09 0.44 0.02 0.00 0.00 177.57 178.93 3jrm h ASP 149 N 1.01 0.92 -0.47 0.57 3.32 -1.99 0.16 116.42 119.94 3jrm h ASP 149 Ca 0.45 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 3jrm h ASP 149 Cb 0.36 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3jrm h ASP 149 CO -0.23 0.93 0.03 -0.33 -1.72 0.00 0.00 179.24 177.92 3jrm h GLU 150 N 0.91 0.80 -0.15 3.56 5.08 -1.83 -2.54 114.58 120.42 3jrm h GLU 150 Ca 0.19 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3jrm h GLU 150 Cb 0.40 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3jrm h GLU 150 CO 0.01 0.84 0.03 0.78 -1.00 0.00 0.00 179.01 179.67 3jrm h GLY 151 N 0.66 0.17 0.63 -3.84 0.00 -0.65 0.26 103.07 100.30 3jrm h GLY 151 Ca 0.14 -0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.53 3jrm h GLY 151 CO 0.02 0.00 0.45 -2.08 0.00 0.00 0.00 176.54 174.93 3jrm h VAL 152 N 0.10 0.96 -0.71 4.60 2.07 -0.97 -1.34 116.25 120.96 3jrm h VAL 152 Ca 0.07 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 3jrm h VAL 152 Cb 0.06 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.90 3jrm h VAL 152 CO -0.09 0.14 0.24 0.44 0.02 0.00 0.00 177.57 178.32 3jrm h ASP 153 N 0.79 1.02 -0.40 0.57 3.32 -1.06 -2.26 116.42 118.41 3jrm h ASP 153 Ca 0.35 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3jrm h ASP 153 Cb 0.25 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3jrm h ASP 153 CO -0.21 0.95 0.22 0.25 -1.72 0.00 0.00 179.24 178.74 3jrm h LEU 154 N 1.04 0.49 -0.72 1.55 5.85 -0.03 -1.38 115.31 122.11 3jrm h LEU 154 Ca 0.23 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.75 3jrm h LEU 154 Cb 0.28 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3jrm h LEU 154 CO -0.01 0.42 -0.32 -0.37 -0.34 0.00 0.00 178.44 177.83 3jrm h VAL 155 N 0.51 1.28 -0.66 1.05 -1.51 -1.18 -1.20 116.25 114.56 3jrm h VAL 155 Ca 0.14 -1.44 -0.01 0.00 -1.23 0.00 0.00 66.70 64.17 3jrm h VAL 155 Cb 0.04 1.40 -0.03 0.00 -2.13 0.00 0.00 31.29 30.57 3jrm h VAL 155 CO -0.02 0.46 0.38 0.40 -1.23 0.00 0.00 177.57 177.56 3jrm h ILE 156 N 0.53 1.20 0.01 7.19 2.04 -1.14 0.30 117.51 127.65 3jrm h ILE 156 Ca 0.06 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 3jrm h ILE 156 Cb 0.81 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3jrm h ILE 156 CO 0.07 0.21 -0.01 0.03 0.00 0.00 0.00 178.15 178.45 3jrm h ARG 157 N 0.90 -0.02 -0.09 2.37 3.08 -0.96 -0.77 114.38 118.88 3jrm h ARG 157 Ca 0.23 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.32 3jrm h ARG 157 Cb 0.01 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 3jrm h ARG 157 CO -0.04 0.13 -0.17 0.00 -1.07 0.00 0.00 179.97 178.82 3jrm h ALA 158 N 0.82 -0.13 -0.15 0.04 0.00 -0.98 -0.08 119.26 118.80 3jrm h ALA 158 Ca -0.00 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3jrm h ALA 158 Cb 0.15 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3jrm h ALA 158 CO 0.00 -0.63 -0.21 0.82 0.00 0.00 0.00 179.25 179.24 3jrm h ILE 159 N -0.23 1.22 -0.57 0.00 2.04 -0.91 -1.24 117.51 117.83 3jrm h ILE 159 Ca 0.08 -1.00 -0.07 0.00 1.00 0.00 0.00 64.86 64.88 3jrm h ILE 159 Cb 0.35 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 3jrm h ILE 159 CO -0.23 0.31 0.09 0.28 0.00 0.00 0.00 178.15 178.60 3jrm h SER 160 N 0.23 0.90 -0.07 1.72 0.02 -0.60 0.38 113.55 116.12 3jrm h SER 160 Ca 0.04 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3jrm h SER 160 Cb 0.50 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 3jrm h SER 160 CO 0.03 0.93 0.04 0.00 -1.14 0.00 0.00 176.83 176.70 3jrm h ALA 161 N 1.00 0.09 -0.83 3.77 0.00 -0.52 -1.99 119.26 120.78 3jrm h ALA 161 Ca 0.17 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3jrm h ALA 161 Cb 0.42 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3jrm h ALA 161 CO 0.01 -0.38 0.54 0.00 0.00 0.00 0.00 179.25 179.43 3jrm h ALA 162 N 0.96 1.08 -0.57 0.00 0.00 -1.03 -1.48 119.26 118.21 3jrm h ALA 162 Ca 0.03 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3jrm h ALA 162 Cb 0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3jrm h ALA 162 CO -0.00 0.40 0.38 0.87 0.00 0.00 0.00 179.25 180.89 3jrm h LYS 163 N 1.07 0.63 0.00 0.00 1.57 -0.68 0.16 116.57 119.31 3jrm h LYS 163 Ca 0.32 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 3jrm h LYS 163 Cb -0.04 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 3jrm h LYS 163 CO -0.10 0.41 -0.04 1.96 -0.57 0.00 0.00 179.45 181.12 3jrm h GLN 164 N 0.64 0.00 0.00 3.15 1.08 -0.51 -3.34 115.11 116.14 3jrm h GLN 164 Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 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 -0.06 0.04 0.00 0.54 -0.95 0.00 0.00 178.83 178.39 3jrm n ARG 165 N -3.14 0.42 -3.95 1.46 5.12 -0.85 -4.96 116.66 110.75 3jrm n ARG 165 Ca 0.01 -0.24 -0.30 0.00 -1.93 0.00 0.00 57.85 55.39 3jrm n ARG 165 Cb 0.34 -0.70 -0.16 0.00 -1.16 0.00 0.00 32.46 30.78 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 -0.13 3.20 0.40 0.55 2.15 -0.01 -4.98 116.67 117.84 3jrm s ASP 166 Ca 0.00 -0.82 0.27 0.00 0.43 0.00 0.00 52.55 52.43 3jrm s ASP 166 Cb 0.00 -1.10 0.86 0.00 -0.30 0.00 0.00 42.92 42.37 3jrm s ASP 166 CO 0.00 -0.17 1.78 0.77 -0.17 0.00 0.00 175.17 177.38 3jrm h SER 167 N 8.03 0.00 0.62 -0.34 4.64 -1.86 -1.74 113.55 122.91 3jrm h SER 167 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 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 0.44 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.40 3jrm n ALA 168 N -1.98 2.36 -2.57 5.18 0.00 -1.26 -4.74 120.51 117.51 3jrm n ALA 168 Ca 0.03 -0.12 -0.32 0.00 0.00 0.00 0.00 53.44 53.03 3jrm n ALA 168 Cb 0.39 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 18.28 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 -2.67 4.44 0.00 0.00 0.01 -0.65 -1.86 113.70 112.97 3jrm s SER 169 Ca 0.24 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.27 3jrm s SER 169 Cb 0.19 -0.96 0.00 0.00 0.21 0.00 0.00 66.02 65.45 3jrm s SER 169 CO 0.44 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.97 3jrm n GLY 170 N 1.46 0.35 0.31 3.44 0.00 -1.26 -4.75 105.19 104.74 3jrm n GLY 170 Ca -0.15 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.41 -2.57 3.76 -0.02 0.00 -1.26 -1.30 105.19 103.37 3jrm n GLY 171 Ca 0.00 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 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 0.24 1.61 1.75 -1.26 -4.65 119.30 120.99 3jrm s MET 172 Ca 0.00 2.22 -0.30 0.00 -1.25 0.00 0.00 55.69 56.36 3jrm s MET 172 Cb 0.00 -3.10 -0.09 0.00 2.84 0.00 0.00 34.83 34.48 3jrm s MET 172 CO 0.00 -0.26 0.93 0.42 -0.65 0.00 0.00 175.02 175.47 3jrm s ILE 173 N -0.67 4.09 -0.13 10.11 1.01 -1.26 -3.85 121.20 130.49 3jrm s ILE 173 Ca 0.53 2.07 -0.00 0.00 0.00 0.00 0.00 60.65 63.24 3jrm s ILE 173 Cb -0.40 -4.31 0.03 0.00 0.01 0.00 0.00 42.46 37.79 3jrm s ILE 173 CO 0.48 0.49 -0.07 -0.62 0.00 0.00 0.00 174.94 175.22 3jrm s ASP 174 N -1.19 2.44 -0.02 3.58 3.68 -0.52 -4.98 116.67 119.65 3jrm s ASP 174 Ca 0.41 -0.44 0.04 0.00 2.13 0.00 0.00 52.55 54.69 3jrm s ASP 174 Cb -0.26 -0.89 -0.00 0.00 -1.45 0.00 0.00 42.92 40.32 3jrm s ASP 174 CO 0.31 -0.14 -0.14 -0.69 0.13 0.00 0.00 175.17 174.65 3jrm s VAL 175 N 1.67 1.14 -0.04 1.11 1.01 -1.26 -1.75 120.40 122.28 3jrm s VAL 175 Ca 0.04 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.48 3jrm s VAL 175 Cb -0.13 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 3jrm s VAL 175 CO -0.08 0.33 -0.19 0.00 0.00 0.00 0.00 175.10 175.16 3jrm s ALA 176 N -0.08 1.65 -0.08 5.51 0.00 0.08 -0.56 121.76 128.28 3jrm s ALA 176 Ca 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.19 3jrm s ALA 176 Cb -0.08 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 3jrm s ALA 176 CO 0.01 0.34 -0.14 0.08 0.00 0.00 0.00 175.76 176.04 3jrm s VAL 177 N -0.15 3.07 -0.21 0.00 1.01 0.48 -1.41 120.40 123.19 3jrm s VAL 177 Ca -0.00 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.30 3jrm s VAL 177 Cb -0.11 -2.23 0.04 0.00 0.00 0.00 0.00 36.38 34.08 3jrm s VAL 177 CO 0.01 0.57 -0.12 -0.63 0.00 0.00 0.00 175.10 174.93 3jrm s ILE 178 N -0.31 1.81 0.13 2.22 1.01 0.29 -0.62 121.20 125.73 3jrm s ILE 178 Ca 0.03 -1.12 0.06 0.00 0.00 0.00 0.00 60.65 59.61 3jrm s ILE 178 Cb -0.13 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 3jrm s ILE 178 CO 0.03 0.19 -0.13 0.42 0.00 0.00 0.00 174.94 175.45 3jrm s THR 179 N 1.32 1.28 0.22 2.92 -4.23 -0.70 -1.74 115.64 114.72 3jrm s THR 179 Ca -0.02 -1.79 -0.09 0.00 -1.18 0.00 0.00 61.69 58.62 3jrm s THR 179 Cb -0.16 -1.59 0.17 0.00 1.34 0.00 0.00 72.50 72.26 3jrm s THR 179 CO -0.08 -0.49 1.86 -0.09 -0.54 0.00 0.00 174.62 175.27 3jrm h ARG 180 N 3.36 0.90 0.02 3.99 9.65 -1.87 0.42 114.38 130.84 3jrm h ARG 180 Ca -0.39 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.44 3jrm h ARG 180 Cb 1.20 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.57 3jrm h ARG 180 CO 0.53 0.60 -0.01 -0.22 2.80 0.00 0.00 179.97 183.67 3jrm h LYS 181 N 0.93 -0.02 -0.01 0.20 3.64 -1.96 -3.33 116.57 116.01 3jrm h LYS 181 Ca 0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3jrm h LYS 181 Cb 0.03 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3jrm h LYS 181 CO -0.12 0.12 -0.01 -0.25 -2.27 0.00 0.00 179.45 176.93 3jrm n ASP 182 N -5.03 1.80 0.00 4.20 8.00 -1.22 -5.11 116.55 119.19 3jrm n ASP 182 Ca -0.08 -1.40 0.00 0.00 0.71 0.00 0.00 54.79 54.02 3jrm n ASP 182 Cb 0.10 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 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 0.56 0.09 3.59 0.44 0.00 0.15 -4.54 105.19 105.48 3jrm n GLY 183 Ca 0.06 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 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 2.73 -0.17 1.61 6.14 -1.18 -1.72 117.35 124.76 3jrm s TYR 184 Ca 0.00 0.60 -0.02 0.00 0.64 0.00 0.00 57.07 58.28 3jrm s TYR 184 Cb 0.00 -4.47 -0.01 0.00 0.42 0.00 0.00 41.96 37.89 3jrm s TYR 184 CO 0.00 -1.40 -0.08 0.08 0.64 0.00 0.00 175.55 174.79 3jrm s VAL 185 N 4.65 3.30 -0.24 3.14 1.01 0.21 -4.98 120.40 127.49 3jrm s VAL 185 Ca 0.46 -0.55 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 3jrm s VAL 185 Cb -0.07 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 3jrm s VAL 185 CO 0.29 0.48 0.77 -1.58 0.00 0.00 0.00 175.10 175.07 3jrm s GLN 186 N 0.83 4.18 0.49 2.72 0.74 -1.26 -0.39 119.66 126.97 3jrm s GLN 186 Ca -0.03 0.84 -0.24 0.00 0.05 0.00 0.00 55.36 55.99 3jrm s GLN 186 Cb -0.15 -3.64 -0.07 0.00 1.10 0.00 0.00 33.01 30.26 3jrm s GLN 186 CO 0.01 -0.46 1.36 1.28 -0.55 0.00 0.00 175.29 176.93 3jrm n LEU 187 N 5.82 5.10 -4.81 3.68 4.77 0.27 -4.98 117.00 126.86 3jrm n LEU 187 Ca 0.04 1.05 -0.32 0.00 -0.03 0.00 0.00 56.01 56.74 3jrm n LEU 187 Cb 0.48 -1.57 0.02 0.00 -2.33 0.00 0.00 43.42 40.02 3jrm n LEU 187 CO 0.46 -0.46 0.71 -2.84 -1.33 0.00 0.00 177.39 173.94 3jrm s PRO 188 N -2.61 3.26 0.17 3.23 0.02 -1.26 -4.72 135.00 133.09 3jrm s PRO 188 Ca 0.66 1.15 -0.15 0.00 0.02 0.00 0.00 61.00 62.69 3jrm s PRO 188 Cb -0.44 -2.03 0.05 0.00 0.02 0.00 0.00 34.50 32.10 3jrm s PRO 188 CO 0.54 -0.85 1.82 1.15 -0.33 0.00 0.00 177.00 179.33 3jrm h THR 189 N 0.24 1.13 -0.78 0.99 2.02 -1.95 -2.47 112.91 112.09 3jrm h THR 189 Ca -0.46 -0.26 0.16 0.00 0.77 0.00 0.00 66.41 66.61 3jrm h THR 189 Cb 1.22 0.42 -0.15 0.00 -1.74 0.00 0.00 68.15 67.90 3jrm h THR 189 CO 0.57 0.13 -0.19 0.44 0.37 0.00 0.00 175.52 176.85 3jrm h ASP 190 N 0.67 -0.71 -0.38 4.18 5.19 -1.99 -1.40 116.42 121.98 3jrm h ASP 190 Ca 0.18 0.23 -0.10 0.00 -0.62 0.00 0.00 57.03 56.73 3jrm h ASP 190 Cb -0.06 0.48 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 3jrm h ASP 190 CO -0.04 -0.26 -0.15 -0.61 -3.12 0.00 0.00 179.24 175.06 3jrm h GLN 191 N 0.00 0.77 0.32 3.56 4.15 -1.85 0.07 115.11 122.14 3jrm h GLN 191 Ca 0.38 -0.32 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 3jrm h GLN 191 Cb 0.58 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.24 3jrm h GLN 191 CO -0.80 0.94 -0.16 0.82 -1.93 0.00 0.00 178.83 177.70 3jrm h ILE 192 N 0.56 0.70 -0.70 2.39 2.04 -1.10 -2.30 117.51 119.10 3jrm h ILE 192 Ca 0.09 -0.25 0.13 0.00 1.00 0.00 0.00 64.86 65.82 3jrm h ILE 192 Cb 0.69 0.84 -0.09 0.00 -0.74 0.00 0.00 36.82 37.52 3jrm h ILE 192 CO 0.05 0.05 0.24 -0.33 0.00 0.00 0.00 178.15 178.16 3jrm h GLU 193 N -0.57 0.37 -0.37 2.37 5.08 -1.22 -0.85 114.58 119.38 3jrm h GLU 193 Ca -0.04 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3jrm h GLU 193 Cb 0.42 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 3jrm h GLU 193 CO 0.07 0.24 -0.08 1.03 -1.00 0.00 0.00 179.01 179.28 3jrm h SER 194 N 0.38 -0.32 0.46 1.42 0.87 -0.82 -1.43 113.55 114.12 3jrm h SER 194 Ca 0.38 0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 60.96 3jrm h SER 194 Cb 0.56 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 3jrm h SER 194 CO -0.40 -0.11 -0.42 0.03 -0.53 0.00 0.00 176.83 175.40 3jrm h ARG 195 N 0.01 0.00 -0.52 2.24 3.08 -0.73 -0.71 114.38 117.75 3jrm h ARG 195 Ca 0.18 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 3jrm h ARG 195 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 3jrm h ARG 195 CO -0.37 0.42 0.32 0.82 -1.07 0.00 0.00 179.97 180.09 3jrm h ILE 196 N 0.00 1.15 0.70 2.04 2.04 -0.58 -0.10 117.51 122.77 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 0.76 0.43 0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3jrm h ILE 196 CO 0.05 0.15 -0.34 0.03 0.00 0.00 0.00 178.15 178.05 3jrm h ARG 197 N 0.70 -0.91 -0.79 2.37 3.08 -0.97 -1.42 114.38 116.45 3jrm h ARG 197 Ca 0.19 0.06 0.18 0.00 0.07 0.00 0.00 59.98 60.48 3jrm h ARG 197 Cb -0.03 0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 3jrm h ARG 197 CO -0.04 -0.58 0.53 -0.22 -1.07 0.00 0.00 179.97 178.60 3jrm h LYS 198 N -1.04 0.31 0.00 0.04 3.64 -1.10 0.12 116.57 118.54 3jrm h LYS 198 Ca -0.10 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3jrm h LYS 198 Cb 0.75 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3jrm h LYS 198 CO 0.16 0.20 -0.34 1.28 -2.27 0.00 0.00 179.45 178.48 3jrm n LEU 199 N -4.45 0.50 -1.97 5.20 4.77 -0.05 -5.01 117.00 115.98 3jrm n LEU 199 Ca 0.16 0.28 -0.01 0.00 -0.03 0.00 0.00 56.01 56.41 3jrm n LEU 199 Cb 0.64 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3jrm n LEU 199 CO 0.33 -0.01 0.07 0.61 -1.33 0.00 0.00 177.39 177.06 3jrm n GLY 200 N 1.42 -0.73 0.00 -0.72 0.00 0.42 -5.07 105.19 100.51 3jrm n GLY 200 Ca 0.05 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.88 0.00 0.00 0.99 4.77 -0.84 -5.03 117.00 116.01 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 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3jrm n LEU 201 CO 0.16 0.00 0.00 -0.38 -1.33 0.00 0.00 177.39 175.84 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