#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 0.45 0.15 12.58 2.01 -1.26 -1.25 115.64 128.31 3jrm s THR 2 Ca 0.00 0.06 0.09 0.00 0.31 0.00 0.00 61.69 62.15 3jrm s THR 2 Cb 0.00 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 3jrm s THR 2 CO 0.00 0.26 -0.21 0.42 -0.69 0.00 0.00 174.62 174.40 3jrm s THR 3 N 1.80 1.95 -0.01 -0.82 -4.23 -0.40 -2.43 115.64 111.50 3jrm s THR 3 Ca 0.03 -1.80 -0.04 0.00 -1.18 0.00 0.00 61.69 58.70 3jrm s THR 3 Cb -0.13 -1.82 -0.00 0.00 1.34 0.00 0.00 72.50 71.89 3jrm s THR 3 CO -0.05 -0.14 0.08 0.54 -0.54 0.00 0.00 174.62 174.52 3jrm s VAL 4 N -1.55 0.06 -0.03 2.29 0.11 0.25 -1.41 120.40 120.11 3jrm s VAL 4 Ca 0.13 -0.49 0.01 0.00 -2.93 0.00 0.00 61.98 58.70 3jrm s VAL 4 Cb -0.08 -0.29 0.02 0.00 -1.53 0.00 0.00 36.38 34.51 3jrm s VAL 4 CO 0.06 -0.27 -0.02 -0.83 -3.33 0.00 0.00 175.10 170.72 3jrm s GLY 5 N -0.87 0.32 0.18 6.54 0.00 -0.18 -0.93 107.32 112.37 3jrm s GLY 5 Ca -0.10 0.08 0.08 0.00 0.00 0.00 0.00 44.72 44.78 3jrm s GLY 5 CO 0.00 0.52 -0.17 -0.26 0.00 0.00 0.00 173.10 173.20 3jrm s ILE 6 N 0.96 1.78 0.02 0.90 -4.36 0.24 -1.23 121.20 119.51 3jrm s ILE 6 Ca -0.11 -2.03 0.07 0.00 -0.26 0.00 0.00 60.65 58.32 3jrm s ILE 6 Cb -0.14 -1.91 -0.03 0.00 1.25 0.00 0.00 42.46 41.63 3jrm s ILE 6 CO -0.01 -0.43 -0.20 0.42 0.24 0.00 0.00 174.94 174.96 3jrm s THR 7 N -2.42 2.62 0.06 8.37 -4.23 -0.54 -1.68 115.64 117.82 3jrm s THR 7 Ca 0.18 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 3jrm s THR 7 Cb -0.04 -2.05 -0.00 0.00 1.34 0.00 0.00 72.50 71.75 3jrm s THR 7 CO 0.07 0.42 0.01 0.18 -0.54 0.00 0.00 174.62 174.76 3jrm n LEU 8 N 1.84 0.00 -0.16 4.79 4.77 -0.52 -4.92 117.00 122.80 3jrm n LEU 8 Ca -0.16 -0.40 -0.07 0.00 -0.03 0.00 0.00 56.01 55.35 3jrm n LEU 8 Cb 0.52 0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.72 3jrm n LEU 8 CO 0.25 -0.06 1.07 0.11 -1.33 0.00 0.00 177.39 177.43 3jrm h LYS 9 N 0.00 0.61 -0.09 3.23 1.57 -1.84 -3.23 116.57 116.82 3jrm h LYS 9 Ca -0.04 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.55 3jrm h LYS 9 Cb 0.16 -0.14 -0.26 0.00 0.08 0.00 0.00 32.23 32.07 3jrm h LYS 9 CO 0.07 0.40 -0.84 -0.25 -0.57 0.00 0.00 179.45 178.26 3jrm n ASP 10 N -4.77 1.56 -3.73 0.86 10.43 -1.26 -4.69 116.55 114.96 3jrm n ASP 10 Ca 0.02 -2.79 -0.10 0.00 2.57 0.00 0.00 54.79 54.49 3jrm n ASP 10 Cb 0.03 -0.40 -0.05 0.00 1.84 0.00 0.00 41.12 42.53 3jrm n ASP 10 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3jrm s ALA 11 N -1.73 -0.66 -0.05 2.24 0.00 -1.22 -4.47 121.76 115.87 3jrm s ALA 11 Ca 0.36 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.05 3jrm s ALA 11 Cb 0.38 0.66 0.01 0.00 0.00 0.00 0.00 23.12 24.17 3jrm s ALA 11 CO -0.11 -0.62 -0.09 0.08 0.00 0.00 0.00 175.76 175.02 3jrm s VAL 12 N -3.84 0.87 -0.10 0.00 1.01 -0.76 -1.44 120.40 116.14 3jrm s VAL 12 Ca 0.05 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.70 3jrm s VAL 12 Cb 0.03 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 3jrm s VAL 12 CO -0.10 0.29 -0.18 -0.63 0.00 0.00 0.00 175.10 174.48 3jrm s ILE 13 N 0.55 2.63 -0.02 2.22 1.01 -0.67 -0.47 121.20 126.44 3jrm s ILE 13 Ca -0.10 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.75 3jrm s ILE 13 Cb -0.13 -2.05 -0.00 0.00 0.01 0.00 0.00 42.46 40.29 3jrm s ILE 13 CO 0.02 0.55 -0.11 -0.04 0.00 0.00 0.00 174.94 175.36 3jrm s MET 14 N 0.12 1.07 0.05 2.79 -1.94 -0.27 -0.59 119.30 120.53 3jrm s MET 14 Ca -0.09 -0.39 -0.08 0.00 -1.71 0.00 0.00 55.69 53.42 3jrm s MET 14 Cb -0.15 -1.00 -0.00 0.00 2.01 0.00 0.00 34.83 35.69 3jrm s MET 14 CO 0.06 0.19 0.17 0.00 -0.01 0.00 0.00 175.02 175.42 3jrm s ALA 15 N -0.01 -0.24 0.27 3.03 0.00 -0.11 -0.66 121.76 124.04 3jrm s ALA 15 Ca -0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 51.96 51.48 3jrm s ALA 15 Cb -0.07 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 3jrm s ALA 15 CO 0.00 -0.39 0.34 0.95 0.00 0.00 0.00 175.76 176.66 3jrm s THR 16 N -2.94 0.00 0.25 0.00 -4.23 -0.77 -0.58 115.64 107.37 3jrm s THR 16 Ca -0.02 -1.74 0.02 0.00 -1.18 0.00 0.00 61.69 58.76 3jrm s THR 16 Cb 0.01 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 71.39 3jrm s THR 16 CO -0.06 0.00 0.14 -1.84 -0.54 0.00 0.00 174.62 172.32 3jrm n GLU 17 N -0.44 1.19 -0.05 3.99 -0.00 -1.02 -1.33 120.64 122.98 3jrm n GLU 17 Ca 0.02 -1.65 0.02 0.00 -0.00 0.00 0.00 57.16 55.55 3jrm n GLU 17 Cb 0.63 0.25 0.02 0.00 -0.00 0.00 0.00 31.44 32.35 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 -0.97 1.78 -2.83 3.44 1.74 -0.76 -4.60 116.66 114.45 3jrm n ARG 18 Ca -0.03 -1.42 -0.40 0.00 -0.77 0.00 0.00 57.85 55.23 3jrm n ARG 18 Cb 0.30 -0.93 -0.06 0.00 -1.02 0.00 0.00 32.46 30.75 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 -1.02 4.71 -0.17 5.56 3.52 -0.68 -0.60 118.95 130.26 3jrm s ARG 19 Ca 0.06 1.35 0.01 0.00 -0.13 0.00 0.00 55.73 57.01 3jrm s ARG 19 Cb 0.05 -3.31 0.03 0.00 -1.56 0.00 0.00 34.95 30.16 3jrm s ARG 19 CO 0.01 0.44 -0.14 0.08 -0.81 0.00 0.00 175.30 174.87 3jrm s VAL 20 N -0.77 1.68 0.09 7.11 1.01 0.60 -4.75 120.40 125.37 3jrm s VAL 20 Ca 0.41 -0.82 0.10 0.00 0.00 0.00 0.00 61.98 61.67 3jrm s VAL 20 Cb -0.24 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 3jrm s VAL 20 CO 0.29 0.37 -0.24 0.42 0.00 0.00 0.00 175.10 175.94 3jrm s THR 21 N 1.42 2.37 -0.58 3.92 -4.23 -1.26 -1.69 115.64 115.59 3jrm s THR 21 Ca 0.03 -1.52 -0.04 0.00 -1.18 0.00 0.00 61.69 58.97 3jrm s THR 21 Cb -0.14 -2.01 0.15 0.00 1.34 0.00 0.00 72.50 71.84 3jrm s THR 21 CO -0.10 0.22 0.41 -0.32 -0.54 0.00 0.00 174.62 174.28 3jrm s MET 22 N -1.71 2.52 7.02 3.99 -2.45 -0.53 -4.92 119.30 123.22 3jrm s MET 22 Ca 0.14 -2.31 0.00 0.00 -1.25 0.00 0.00 55.69 52.27 3jrm s MET 22 Cb -0.10 -3.77 0.00 0.00 1.25 0.00 0.00 34.83 32.21 3jrm s MET 22 CO 0.05 -1.16 0.00 -1.91 1.05 0.00 0.00 175.02 173.05 3jrm n GLU 23 N 3.88 0.00 0.00 4.11 4.07 -1.26 -2.44 120.64 129.00 3jrm n GLU 23 Ca 0.05 0.00 0.14 0.00 -0.06 0.00 0.00 57.16 57.29 3jrm n GLU 23 Cb 0.39 0.00 0.61 0.00 -0.06 0.00 0.00 31.44 32.38 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 6.46 0.17 -4.55 4.31 0.23 -1.26 -4.82 115.26 115.80 3jrm n ASN 24 Ca 0.00 -0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.62 3jrm n ASN 24 Cb 0.00 -0.25 -0.04 0.00 -2.08 0.00 0.00 39.78 37.41 3jrm n ASN 24 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 3jrm s PHE 25 N -2.77 2.91 -0.82 -2.53 2.19 -1.02 -4.99 117.98 110.94 3jrm s PHE 25 Ca 0.21 0.25 -0.25 0.00 0.33 0.00 0.00 56.93 57.46 3jrm s PHE 25 Cb 0.19 -3.93 0.01 0.00 -1.31 0.00 0.00 43.02 37.99 3jrm s PHE 25 CO 0.52 -1.13 1.55 0.42 1.83 0.00 0.00 175.22 178.41 3jrm s ILE 26 N 3.70 3.66 0.05 3.12 1.01 -1.26 -1.45 121.20 130.03 3jrm s ILE 26 Ca 0.34 -0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 3jrm s ILE 26 Cb -0.11 -4.62 -0.27 0.00 0.01 0.00 0.00 42.46 37.47 3jrm s ILE 26 CO 0.24 -1.55 1.05 0.24 0.00 0.00 0.00 174.94 174.93 3jrm h MET 27 N 11.16 0.22 -3.58 2.79 2.86 -1.68 -3.45 114.93 123.24 3jrm h MET 27 Ca -0.08 -0.37 -0.34 0.00 -2.06 0.00 0.00 59.70 56.85 3jrm h MET 27 Cb 1.05 0.14 -0.35 0.00 0.06 0.00 0.00 31.60 32.50 3jrm h MET 27 CO 1.30 1.13 -0.74 -1.01 1.06 0.00 0.00 176.91 178.65 3jrm s HIS 28 N -2.65 0.19 -0.80 -0.22 3.76 -1.01 -5.03 115.29 109.53 3jrm s HIS 28 Ca -0.05 0.08 0.24 0.00 -0.15 0.00 0.00 55.06 55.18 3jrm s HIS 28 Cb 0.07 -0.38 0.35 0.00 1.11 0.00 0.00 32.58 33.73 3jrm s HIS 28 CO 0.86 -0.14 1.30 1.63 -0.85 0.00 0.00 174.74 177.55 3jrm n LYS 29 N 4.40 0.16 -3.17 1.40 5.02 -1.26 -0.29 118.16 124.42 3jrm n LYS 29 Ca -0.22 0.03 -0.21 0.00 -2.02 0.00 0.00 58.31 55.89 3jrm n LYS 29 Cb 0.50 -1.58 -0.04 0.00 -0.02 0.00 0.00 35.03 33.89 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 -1.80 1.28 -4.90 4.39 3.02 -1.23 -4.28 115.26 111.74 3jrm n ASN 30 Ca 0.04 -3.04 -0.28 0.00 -0.03 0.00 0.00 54.58 51.27 3jrm n ASN 30 Cb 0.39 -0.62 0.08 0.00 -0.61 0.00 0.00 39.78 39.02 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 -2.25 1.62 -0.13 7.41 0.00 0.23 -5.04 107.32 109.15 3jrm s GLY 31 Ca 0.40 -0.66 -0.01 0.00 0.00 0.00 0.00 44.72 44.45 3jrm s GLY 31 CO -0.09 -0.22 -0.11 1.25 0.00 0.00 0.00 173.10 173.93 3jrm s LYS 32 N -5.44 3.41 0.00 2.90 2.20 -1.26 -4.54 119.74 117.01 3jrm s LYS 32 Ca 0.61 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 55.56 3jrm s LYS 32 Cb -0.11 -2.68 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 3jrm s LYS 32 CO 0.48 0.24 0.33 1.63 -0.36 0.00 0.00 175.35 177.67 3jrm n LYS 33 N 3.47 -0.66 -4.64 4.03 5.02 -1.26 -4.99 118.16 119.14 3jrm n LYS 33 Ca -0.18 -0.34 -0.29 0.00 -2.02 0.00 0.00 58.31 55.49 3jrm n LYS 33 Cb 0.53 -0.83 -0.17 0.00 -0.02 0.00 0.00 35.03 34.54 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 -0.00 1.82 -0.00 -0.35 2.96 -1.26 -1.55 118.68 120.30 3jrm s LEU 34 Ca 0.00 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 3jrm s LEU 34 Cb 0.00 -1.15 -0.01 0.00 0.50 0.00 0.00 46.19 45.54 3jrm s LEU 34 CO 0.00 0.05 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.67 3jrm s PHE 35 N 0.80 0.42 0.03 5.38 0.08 -0.12 -5.00 117.98 119.57 3jrm s PHE 35 Ca -0.10 -0.11 -0.30 0.00 0.12 0.00 0.00 56.93 56.54 3jrm s PHE 35 Cb -0.16 -0.27 -0.04 0.00 -0.57 0.00 0.00 43.02 41.99 3jrm s PHE 35 CO 0.01 -0.01 0.97 -1.14 -0.10 0.00 0.00 175.22 174.95 3jrm s GLN 36 N -0.22 4.59 0.00 0.44 0.74 -1.26 -0.96 119.66 122.99 3jrm s GLN 36 Ca 0.01 1.42 0.00 0.00 0.05 0.00 0.00 55.36 56.84 3jrm s GLN 36 Cb -0.02 -3.44 0.00 0.00 1.10 0.00 0.00 33.01 30.65 3jrm s GLN 36 CO -0.00 0.02 0.33 0.44 -0.55 0.00 0.00 175.29 175.53 3jrm n ILE 37 N 3.61 0.00 -3.79 -2.34 -5.35 0.08 -4.94 119.36 106.63 3jrm n ILE 37 Ca 0.05 -0.45 -0.05 0.00 -0.27 0.00 0.00 62.75 62.02 3jrm n ILE 37 Cb 0.51 1.07 0.02 0.00 -1.74 0.00 0.00 39.64 39.50 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 -0.24 -1.84 -0.14 7.28 2.03 -1.02 -4.55 116.55 118.07 3jrm n ASP 38 Ca 0.00 -2.13 -0.07 0.00 0.52 0.00 0.00 54.79 53.10 3jrm n ASP 38 Cb 0.02 3.03 0.01 0.00 -0.72 0.00 0.00 41.12 43.46 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 1.09 -0.25 5.18 2.02 -1.98 -3.05 112.91 117.82 3jrm h THR 39 Ca -0.28 -0.20 -0.19 0.00 0.77 0.00 0.00 66.41 66.52 3jrm h THR 39 Cb 1.11 0.46 -0.15 0.00 -1.74 0.00 0.00 68.15 67.84 3jrm h THR 39 CO 0.36 0.11 -0.61 -1.22 0.37 0.00 0.00 175.52 174.52 3jrm n TYR 40 N -4.80 0.93 -4.25 3.16 4.01 -1.26 -3.07 117.16 111.88 3jrm n TYR 40 Ca 0.02 -1.74 -0.19 0.00 -0.16 0.00 0.00 57.90 55.83 3jrm n TYR 40 Cb 0.04 -0.28 -0.15 0.00 -0.31 0.00 0.00 39.34 38.63 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 -3.69 0.59 0.16 -0.72 2.01 -1.15 -1.89 115.64 110.95 3jrm s THR 41 Ca 0.42 -0.24 0.07 0.00 0.31 0.00 0.00 61.69 62.26 3jrm s THR 41 Cb 0.38 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 72.30 3jrm s THR 41 CO -0.03 0.20 -0.15 -0.83 -0.69 0.00 0.00 174.62 173.12 3jrm s GLY 42 N 0.37 1.27 -0.02 4.40 0.00 0.57 -0.74 107.32 113.16 3jrm s GLY 42 Ca -0.05 -1.46 0.01 0.00 0.00 0.00 0.00 44.72 43.22 3jrm s GLY 42 CO 0.00 -1.53 -0.04 -0.29 0.00 0.00 0.00 173.10 171.24 3jrm s MET 43 N -3.02 0.51 0.10 2.90 1.75 -0.14 -0.64 119.30 120.76 3jrm s MET 43 Ca 0.15 -0.11 0.07 0.00 -1.25 0.00 0.00 55.69 54.55 3jrm s MET 43 Cb -0.04 -0.54 -0.04 0.00 2.84 0.00 0.00 34.83 37.06 3jrm s MET 43 CO 0.05 0.01 -0.08 0.95 -0.65 0.00 0.00 175.02 175.30 3jrm s THR 44 N 0.39 3.48 -0.02 10.11 -4.23 -0.15 -0.94 115.64 124.28 3jrm s THR 44 Ca -0.04 -1.21 0.07 0.00 -1.18 0.00 0.00 61.69 59.32 3jrm s THR 44 Cb -0.08 -2.63 -0.02 0.00 1.34 0.00 0.00 72.50 71.11 3jrm s THR 44 CO -0.00 0.12 -0.22 0.27 -0.54 0.00 0.00 174.62 174.25 3jrm s ILE 45 N -1.23 1.71 0.03 2.99 -4.36 -0.59 -2.25 121.20 117.49 3jrm s ILE 45 Ca 0.22 -0.92 -0.02 0.00 -0.26 0.00 0.00 60.65 59.67 3jrm s ILE 45 Cb -0.11 -1.42 -0.02 0.00 1.25 0.00 0.00 42.46 42.16 3jrm s ILE 45 CO 0.14 0.48 0.00 0.00 0.24 0.00 0.00 174.94 175.81 3jrm s ALA 46 N -0.50 0.20 0.00 2.27 0.00 -0.85 -4.88 121.76 118.00 3jrm s ALA 46 Ca 0.08 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.26 3jrm s ALA 46 Cb -0.08 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.25 3jrm s ALA 46 CO -0.01 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.90 3jrm n GLY 47 N 0.91 -0.44 3.67 0.00 0.00 -1.26 -1.29 105.19 106.78 3jrm n GLY 47 Ca -0.19 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 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 0.12 0.99 2.96 0.10 -4.89 118.68 122.29 3jrm s LEU 48 Ca 0.00 2.27 -0.20 0.00 -0.22 0.00 0.00 54.13 55.98 3jrm s LEU 48 Cb 0.00 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 43.07 3jrm s LEU 48 CO 0.00 -0.87 1.75 0.58 -1.32 0.00 0.00 176.35 176.49 3jrm h VAL 49 N 5.23 0.99 -0.06 1.68 2.07 -1.93 -1.28 116.25 122.94 3jrm h VAL 49 Ca -0.40 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.11 3jrm h VAL 49 Cb 1.18 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 3jrm h VAL 49 CO 0.94 0.03 -0.34 1.23 0.02 0.00 0.00 177.57 179.45 3jrm h GLY 50 N 0.16 -0.53 0.67 2.17 0.00 -1.99 0.00 103.07 103.55 3jrm h GLY 50 Ca 0.07 0.41 0.05 0.00 0.00 0.00 0.00 47.33 47.86 3jrm h GLY 50 CO -0.05 -0.23 0.22 -0.55 0.00 0.00 0.00 176.54 175.93 3jrm h ASP 51 N -0.45 0.29 -0.22 0.19 3.32 -1.88 -2.03 116.42 115.63 3jrm h ASP 51 Ca 0.07 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.20 3jrm h ASP 51 Cb 0.57 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 3jrm h ASP 51 CO -0.31 0.20 0.03 0.00 -1.72 0.00 0.00 179.24 177.44 3jrm h ALA 52 N 1.28 0.21 -0.61 3.45 0.00 -0.64 -2.24 119.26 120.72 3jrm h ALA 52 Ca 0.22 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3jrm h ALA 52 Cb 0.17 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3jrm h ALA 52 CO -0.18 -0.40 0.21 1.96 0.00 0.00 0.00 179.25 180.84 3jrm h GLN 53 N 0.11 0.93 -0.26 0.00 4.20 -0.60 0.47 115.11 119.96 3jrm h GLN 53 Ca 0.10 -0.19 0.04 0.00 0.06 0.00 0.00 58.65 58.67 3jrm h GLN 53 Cb 0.11 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 3jrm h GLN 53 CO -0.15 0.81 -0.00 0.28 -0.67 0.00 0.00 178.83 179.10 3jrm h VAL 54 N 0.86 0.81 -0.58 -0.54 2.07 -1.31 -2.29 116.25 115.27 3jrm h VAL 54 Ca 0.20 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 3jrm h VAL 54 Cb 0.25 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3jrm h VAL 54 CO -0.01 0.01 0.32 -0.07 0.02 0.00 0.00 177.57 177.85 3jrm h LEU 55 N 0.07 0.71 -0.20 2.57 3.38 -0.69 -0.91 115.31 120.24 3jrm h LEU 55 Ca 0.12 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3jrm h LEU 55 Cb 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3jrm h LEU 55 CO -0.21 0.57 0.13 0.58 0.09 0.00 0.00 178.44 179.60 3jrm h VAL 56 N 0.81 1.06 -0.44 1.22 2.07 -0.49 -0.86 116.25 119.61 3jrm h VAL 56 Ca 0.21 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 3jrm h VAL 56 Cb 0.01 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3jrm h VAL 56 CO -0.04 0.06 0.24 0.03 0.02 0.00 0.00 177.57 177.88 3jrm h ARG 57 N 0.26 0.62 -0.26 1.57 3.08 -0.90 -1.11 114.38 117.64 3jrm h ARG 57 Ca 0.07 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.08 3jrm h ARG 57 Cb -0.02 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 3jrm h ARG 57 CO -0.02 0.50 0.05 1.88 -1.07 0.00 0.00 179.97 181.31 3jrm h TYR 58 N 0.58 0.08 -0.59 3.04 0.99 -0.97 -1.22 116.97 118.87 3jrm h TYR 58 Ca 0.15 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.86 3jrm h TYR 58 Cb 0.07 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 37.78 3jrm h TYR 58 CO -0.02 0.02 0.21 0.52 -0.00 0.00 0.00 178.16 178.89 3jrm h MET 59 N 0.14 0.90 -0.10 4.88 2.86 -0.88 0.35 114.93 123.09 3jrm h MET 59 Ca 0.12 -0.18 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 3jrm h MET 59 Cb 0.13 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 3jrm h MET 59 CO -0.16 0.79 -0.16 0.87 1.06 0.00 0.00 176.91 179.30 3jrm h LYS 60 N 0.83 -0.21 -0.05 1.72 1.57 -0.98 -0.77 116.57 118.67 3jrm h LYS 60 Ca 0.19 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3jrm h LYS 60 Cb 0.25 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3jrm h LYS 60 CO -0.01 -0.14 0.03 0.00 -0.57 0.00 0.00 179.45 178.76 3jrm h ALA 61 N 0.80 0.06 -0.30 3.86 0.00 -0.74 -1.40 119.26 121.54 3jrm h ALA 61 Ca 0.09 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3jrm h ALA 61 Cb 0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3jrm h ALA 61 CO -0.23 -0.42 -0.22 1.49 0.00 0.00 0.00 179.25 179.87 3jrm h GLU 62 N 0.02 0.57 0.08 0.00 4.22 -0.10 -1.37 114.58 118.00 3jrm h GLU 62 Ca 0.02 -0.21 -0.25 0.00 0.08 0.00 0.00 59.36 58.99 3jrm h GLU 62 Cb 0.04 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3jrm h GLU 62 CO -0.00 0.76 -1.11 -0.07 -2.18 0.00 0.00 179.01 176.40 3jrm h LEU 63 N 0.51 0.46 -0.25 1.64 3.38 -1.10 -1.47 115.31 118.48 3jrm h LEU 63 Ca 0.08 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 3jrm h LEU 63 Cb 0.66 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3jrm h LEU 63 CO 0.05 1.29 0.13 -0.08 0.09 0.00 0.00 178.44 179.92 3jrm h GLU 64 N 0.14 0.35 -0.06 1.13 4.81 -1.06 -1.95 114.58 117.93 3jrm h GLU 64 Ca -0.11 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 3jrm h GLU 64 Cb 1.80 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.10 3jrm h GLU 64 CO 0.19 0.32 -0.02 1.25 -0.73 0.00 0.00 179.01 180.02 3jrm h LEU 65 N 0.28 -0.06 -0.60 1.64 5.85 -1.26 -2.49 115.31 118.67 3jrm h LEU 65 Ca 0.09 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.93 3jrm h LEU 65 Cb 0.08 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.07 3jrm h LEU 65 CO -0.01 -0.03 0.18 0.22 -0.34 0.00 0.00 178.44 178.47 3jrm h TYR 66 N -0.01 0.31 -0.70 1.25 5.03 -1.19 -1.37 116.97 120.29 3jrm h TYR 66 Ca 0.03 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.31 3jrm h TYR 66 Cb 0.05 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.25 3jrm h TYR 66 CO -0.12 0.04 0.22 -0.09 -1.32 0.00 0.00 178.16 176.89 3jrm h ARG 67 N 0.34 1.09 -0.44 1.82 2.43 -1.08 0.23 114.38 118.77 3jrm h ARG 67 Ca 0.31 -0.23 -0.14 0.00 -0.81 0.00 0.00 59.98 59.11 3jrm h ARG 67 Cb 0.42 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3jrm h ARG 67 CO -0.34 0.93 -0.27 -0.07 -1.51 0.00 0.00 179.97 178.71 3jrm h LEU 68 N 1.05 1.00 -0.41 3.80 3.38 -1.09 0.25 115.31 123.29 3jrm h LEU 68 Ca 0.23 -0.42 -0.18 0.00 0.09 0.00 0.00 57.88 57.60 3jrm h LEU 68 Cb 0.30 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3jrm h LEU 68 CO -0.01 1.21 -0.60 1.56 0.09 0.00 0.00 178.44 180.69 3jrm h GLN 69 N 0.80 0.64 0.00 1.13 4.20 -0.70 -3.33 115.11 117.86 3jrm h GLN 69 Ca 0.09 -0.43 -0.07 0.00 0.06 0.00 0.00 58.65 58.29 3jrm h GLN 69 Cb 0.85 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 3jrm h GLN 69 CO 0.08 1.05 -1.96 0.54 -0.67 0.00 0.00 178.83 177.87 3jrm n ARG 70 N -3.95 0.66 -1.13 1.46 3.00 0.76 -4.98 116.66 112.48 3jrm n ARG 70 Ca -0.04 -0.12 -0.04 0.00 -0.01 0.00 0.00 57.85 57.64 3jrm n ARG 70 Cb 0.64 -1.56 -0.02 0.00 0.00 0.00 0.00 32.46 31.52 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 -2.41 -1.33 -4.19 5.56 1.74 0.88 -4.99 116.66 111.92 3jrm n ARG 71 Ca -0.09 0.56 -0.15 0.00 -0.77 0.00 0.00 57.85 57.40 3jrm n ARG 71 Cb 0.69 -4.66 -0.11 0.00 -1.02 0.00 0.00 32.46 27.36 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 -1.65 1.00 0.47 1.55 -7.23 -1.24 -5.04 120.40 108.25 3jrm s VAL 72 Ca 0.00 -1.69 -0.22 0.00 -1.81 0.00 0.00 61.98 58.26 3jrm s VAL 72 Cb 0.00 -1.43 -0.07 0.00 0.56 0.00 0.00 36.38 35.44 3jrm s VAL 72 CO 0.00 -0.56 1.15 0.20 -0.31 0.00 0.00 175.10 175.58 3jrm s ASN 73 N -2.52 6.15 0.19 4.85 -0.87 -1.26 -4.17 114.94 117.31 3jrm s ASN 73 Ca 0.07 2.26 -0.32 0.00 -1.57 0.00 0.00 52.86 53.30 3jrm s ASN 73 Cb -0.02 -2.60 -0.12 0.00 -0.02 0.00 0.00 41.25 38.49 3jrm s ASN 73 CO 0.00 -0.93 1.74 0.80 -2.57 0.00 0.00 177.10 176.14 3jrm n MET 74 N -0.59 2.76 -1.59 -0.60 0.00 -1.26 -4.95 117.12 110.90 3jrm n MET 74 Ca 0.08 1.00 -0.40 0.00 -0.00 0.00 0.00 57.70 58.37 3jrm n MET 74 Cb 0.49 -2.85 0.02 0.00 0.00 0.00 0.00 33.22 30.87 3jrm n MET 74 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3jrm n PRO 75 N 4.26 1.16 -0.25 2.12 -0.02 -1.26 -4.82 135.00 136.20 3jrm n PRO 75 Ca 0.16 0.42 -0.06 0.00 -2.02 0.00 0.00 63.50 62.00 3jrm n PRO 75 Cb 0.35 -2.02 0.05 0.00 -0.02 0.00 0.00 33.50 31.86 3jrm n PRO 75 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3jrm h ILE 76 N 1.20 1.24 -0.15 4.25 1.08 -1.92 -0.40 117.51 122.81 3jrm h ILE 76 Ca -0.45 -0.72 -0.01 0.00 -0.39 0.00 0.00 64.86 63.30 3jrm h ILE 76 Cb 1.35 0.42 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 3jrm h ILE 76 CO 0.55 0.29 0.07 -0.08 -0.69 0.00 0.00 178.15 178.28 3jrm h GLU 77 N 0.98 0.20 -0.58 2.37 4.81 -1.98 -2.01 114.58 118.37 3jrm h GLU 77 Ca 0.23 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 3jrm h GLU 77 Cb 0.17 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3jrm h GLU 77 CO -0.02 0.16 0.06 0.00 -0.73 0.00 0.00 179.01 178.48 3jrm h ALA 78 N 1.87 0.77 -0.55 2.92 0.00 -1.45 -0.32 119.26 122.50 3jrm h ALA 78 Ca 0.05 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3jrm h ALA 78 Cb 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3jrm h ALA 78 CO -0.01 0.55 0.24 0.28 0.00 0.00 0.00 179.25 180.32 3jrm h VAL 79 N 0.88 1.21 -0.65 0.00 2.07 -0.64 0.92 116.25 120.03 3jrm h VAL 79 Ca 0.17 -0.64 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 3jrm h VAL 79 Cb 0.47 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3jrm h VAL 79 CO 0.02 0.25 0.13 0.00 0.02 0.00 0.00 177.57 177.99 3jrm h ALA 80 N 1.08 1.00 -0.43 1.67 0.00 -1.32 -1.93 119.26 119.32 3jrm h ALA 80 Ca 0.19 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3jrm h ALA 80 Cb 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3jrm h ALA 80 CO -0.02 0.64 -0.18 1.15 0.00 0.00 0.00 179.25 180.84 3jrm h THR 81 N 1.00 1.27 -0.00 0.00 2.02 -0.40 -0.17 112.91 116.62 3jrm h THR 81 Ca 0.20 -1.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.08 3jrm h THR 81 Cb 0.39 1.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 3jrm h THR 81 CO 0.01 0.44 0.00 0.25 0.37 0.00 0.00 175.52 176.59 3jrm h LEU 82 N 0.74 0.00 -0.90 2.58 5.85 -0.66 -1.20 115.31 121.72 3jrm h LEU 82 Ca 0.11 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3jrm h LEU 82 Cb 0.70 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 3jrm h LEU 82 CO 0.05 0.11 0.58 -0.07 -0.34 0.00 0.00 178.44 178.78 3jrm h LEU 83 N -0.11 0.96 0.01 2.25 3.38 -1.18 -1.37 115.31 119.26 3jrm h LEU 83 Ca 0.00 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3jrm h LEU 83 Cb 0.11 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3jrm h LEU 83 CO -0.00 0.65 -0.24 -1.28 0.09 0.00 0.00 178.44 177.66 3jrm h SER 84 N 1.12 -0.71 -0.69 -0.43 0.87 -0.76 -0.33 113.55 112.62 3jrm h SER 84 Ca 0.36 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 61.01 3jrm h SER 84 Cb 0.03 0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 62.24 3jrm h SER 84 CO -0.13 -0.31 0.39 0.78 -0.53 0.00 0.00 176.83 177.04 3jrm h ASN 85 N -0.38 0.84 -0.22 6.23 2.35 -0.82 -1.99 115.58 121.58 3jrm h ASN 85 Ca 0.06 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 3jrm h ASN 85 Cb 0.46 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3jrm h ASN 85 CO -0.21 0.68 0.07 0.24 -1.65 0.00 0.00 177.43 176.56 3jrm h MET 86 N 0.94 0.35 -0.22 0.81 2.86 -0.91 -1.02 114.93 117.74 3jrm h MET 86 Ca 0.24 -0.07 -0.21 0.00 -2.06 0.00 0.00 59.70 57.60 3jrm h MET 86 Cb 0.01 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 31.62 3jrm h MET 86 CO -0.04 0.43 -0.67 -0.07 1.06 0.00 0.00 176.91 177.62 3jrm h LEU 87 N 0.19 0.97 -0.83 1.22 4.07 -1.04 -3.07 115.31 116.82 3jrm h LEU 87 Ca 0.07 -0.58 -0.11 0.00 0.08 0.00 0.00 57.88 57.34 3jrm h LEU 87 Cb 0.23 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 3jrm h LEU 87 CO -0.00 1.39 -0.33 -1.13 -1.08 0.00 0.00 178.44 177.28 3jrm h ASN 88 N 0.61 0.50 -0.95 -0.43 -0.73 -1.37 -2.56 115.58 110.65 3jrm h ASN 88 Ca -0.02 -0.19 0.17 0.00 1.87 0.00 0.00 56.30 58.12 3jrm h ASN 88 Cb 1.29 -0.14 -0.08 0.00 0.27 0.00 0.00 38.32 39.66 3jrm h ASN 88 CO 0.14 0.80 0.60 1.56 -0.37 0.00 0.00 177.43 180.17 3jrm h GLN 89 N 0.42 0.68 -0.73 6.67 4.20 -1.08 -2.27 115.11 123.00 3jrm h GLN 89 Ca 0.05 -0.04 -0.49 0.00 0.06 0.00 0.00 58.65 58.23 3jrm h GLN 89 Cb 0.78 -0.15 -0.30 0.00 0.30 0.00 0.00 27.48 28.11 3jrm h GLN 89 CO 0.06 0.45 -0.07 1.33 -0.67 0.00 0.00 178.83 179.93 3jrm n VAL 90 N -4.62 2.89 0.21 -0.54 0.24 -0.99 -4.80 118.33 110.72 3jrm n VAL 90 Ca 0.20 -3.37 0.06 0.00 -2.04 0.00 0.00 64.34 59.19 3jrm n VAL 90 Cb 0.53 -0.90 0.56 0.00 -1.47 0.00 0.00 33.84 32.56 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 1.77 0.09 0.00 7.34 2.10 -1.19 -0.99 116.57 125.69 3jrm h LYS 91 Ca 0.41 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 3jrm h LYS 91 Cb 1.40 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.71 3jrm h LYS 91 CO 0.92 0.12 -0.26 0.66 -2.00 0.00 0.00 179.45 178.89 3jrm n TYR 92 N -4.46 0.01 -3.18 0.07 4.02 -1.26 -3.78 117.16 108.59 3jrm n TYR 92 Ca -0.02 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.66 3jrm n TYR 92 Cb 0.14 -0.38 -0.05 0.00 -0.02 0.00 0.00 39.34 39.04 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 1.20 -1.71 -0.72 2.81 -0.46 -5.13 117.12 111.60 3jrm n MET 93 Ca 0.06 -3.55 -0.31 0.00 -1.81 0.00 0.00 57.70 52.09 3jrm n MET 93 Cb 0.34 -1.64 0.03 0.00 -0.71 0.00 0.00 33.22 31.24 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 -2.16 3.20 -0.35 0.03 0.04 -0.71 -4.89 135.00 130.17 3jrm s PRO 94 Ca 0.39 0.83 -0.29 0.00 0.04 0.00 0.00 61.00 61.98 3jrm s PRO 94 Cb 0.28 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.79 3jrm s PRO 94 CO -0.09 -0.88 1.38 0.71 0.04 0.00 0.00 177.00 178.16 3jrm s TYR 95 N -3.12 2.50 -1.33 0.56 1.51 -1.26 -4.94 117.35 111.27 3jrm s TYR 95 Ca 0.57 0.75 -0.13 0.00 -1.01 0.00 0.00 57.07 57.24 3jrm s TYR 95 Cb -0.13 -4.10 0.11 0.00 -0.11 0.00 0.00 41.96 37.73 3jrm s TYR 95 CO 0.54 -1.94 1.89 -1.33 -1.11 0.00 0.00 175.55 173.60 3jrm n MET 96 N 7.70 3.24 -4.11 -0.62 2.81 -1.26 -4.60 117.12 120.29 3jrm n MET 96 Ca 0.16 -3.23 -0.09 0.00 -1.81 0.00 0.00 57.70 52.73 3jrm n MET 96 Cb 0.47 -3.18 -0.10 0.00 -0.71 0.00 0.00 33.22 29.70 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 2.31 0.14 -0.10 2.03 -7.23 -1.26 -0.72 120.40 115.57 3jrm s VAL 97 Ca 0.46 -1.82 0.02 0.00 -1.81 0.00 0.00 61.98 58.83 3jrm s VAL 97 Cb 0.08 -1.82 0.01 0.00 0.56 0.00 0.00 36.38 35.21 3jrm s VAL 97 CO -0.01 -0.65 -0.17 -1.10 -0.31 0.00 0.00 175.10 172.86 3jrm s GLN 98 N -3.99 2.31 -0.05 4.82 -0.21 -0.41 -2.92 119.66 119.20 3jrm s GLN 98 Ca 0.17 -0.61 0.06 0.00 0.02 0.00 0.00 55.36 55.00 3jrm s GLN 98 Cb 0.07 -1.89 -0.02 0.00 1.00 0.00 0.00 33.01 32.18 3jrm s GLN 98 CO -0.03 0.01 -0.24 -0.51 -2.12 0.00 0.00 175.29 172.40 3jrm s LEU 99 N 0.77 2.15 -0.13 2.90 1.43 -0.10 -2.00 118.68 123.70 3jrm s LEU 99 Ca -0.11 -0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 52.49 3jrm s LEU 99 Cb -0.16 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 3jrm s LEU 99 CO 0.02 0.27 -0.00 -0.76 0.23 0.00 0.00 176.35 176.11 3jrm s LEU 100 N -0.33 3.50 -0.16 1.79 1.43 -0.96 -0.42 118.68 123.53 3jrm s LEU 100 Ca 0.02 0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 3jrm s LEU 100 Cb -0.12 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.28 3jrm s LEU 100 CO 0.02 0.25 -0.17 -0.69 0.23 0.00 0.00 176.35 175.99 3jrm s VAL 101 N -0.13 1.82 0.04 -1.59 1.01 -0.41 -0.98 120.40 120.17 3jrm s VAL 101 Ca 0.04 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.27 3jrm s VAL 101 Cb -0.13 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 3jrm s VAL 101 CO 0.02 0.50 -0.13 -0.83 0.00 0.00 0.00 175.10 174.66 3jrm s GLY 102 N 1.30 0.75 -0.08 4.51 0.00 0.19 -0.32 107.32 113.67 3jrm s GLY 102 Ca 0.03 -0.81 -0.29 0.00 0.00 0.00 0.00 44.72 43.65 3jrm s GLY 102 CO -0.10 -0.80 1.28 0.61 0.00 0.00 0.00 173.10 174.08 3jrm n GLY 103 N 1.85 0.12 3.28 0.20 0.00 -0.52 -0.32 105.19 109.80 3jrm n GLY 103 Ca -0.18 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 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 2.55 0.00 -0.61 -1.09 -0.79 -0.79 121.20 118.47 3jrm s ILE 104 Ca 0.30 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 57.89 3jrm s ILE 104 Cb -0.00 -2.04 0.00 0.00 -1.58 0.00 0.00 42.46 38.84 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 3.71 0.00 0.05 3.58 5.68 -1.26 -4.80 116.55 123.52 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 0.47 0.00 -1.14 0.00 0.00 41.12 40.98 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 -3.84 2.12 -2.24 -1.26 -4.86 114.28 104.73 3jrm n THR 106 Ca 0.00 0.03 -0.09 0.00 -2.27 0.00 0.00 64.05 61.72 3jrm n THR 106 Cb 0.00 -0.76 -0.05 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 -3.08 -0.59 0.50 6.98 0.00 -1.26 -5.16 121.76 119.15 3jrm s ALA 107 Ca 0.10 -0.50 -0.20 0.00 0.00 0.00 0.00 51.96 51.36 3jrm s ALA 107 Cb 0.13 0.89 -0.08 0.00 0.00 0.00 0.00 23.12 24.06 3jrm s ALA 107 CO 0.46 -0.78 1.04 -2.14 0.00 0.00 0.00 175.76 174.34 3jrm s PRO 108 N -3.92 3.73 -0.07 0.00 0.02 -1.26 -4.37 135.00 129.13 3jrm s PRO 108 Ca 0.13 1.33 -0.13 0.00 0.02 0.00 0.00 61.00 62.35 3jrm s PRO 108 Cb -0.00 -2.09 0.03 0.00 0.02 0.00 0.00 34.50 32.46 3jrm s PRO 108 CO 0.00 -0.48 0.32 -1.01 -0.33 0.00 0.00 177.00 175.50 3jrm s HIS 109 N -2.06 -0.27 -0.05 6.54 3.76 0.03 -4.96 115.29 118.28 3jrm s HIS 109 Ca 0.67 0.56 0.02 0.00 -0.15 0.00 0.00 55.06 56.16 3jrm s HIS 109 Cb -0.16 0.11 0.01 0.00 1.11 0.00 0.00 32.58 33.65 3jrm s HIS 109 CO 0.23 -0.29 -0.10 0.08 -0.85 0.00 0.00 174.74 173.81 3jrm s VAL 110 N -0.60 0.92 0.05 -0.90 1.01 -1.26 -1.44 120.40 118.18 3jrm s VAL 110 Ca -0.07 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 61.63 3jrm s VAL 110 Cb -0.04 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 3jrm s VAL 110 CO 0.02 0.31 -0.22 -0.36 0.00 0.00 0.00 175.10 174.85 3jrm s PHE 111 N 0.69 1.94 -0.17 5.22 0.40 0.56 -1.85 117.98 124.76 3jrm s PHE 111 Ca -0.13 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.82 3jrm s PHE 111 Cb -0.15 -1.15 0.01 0.00 0.51 0.00 0.00 43.02 42.24 3jrm s PHE 111 CO 0.02 0.11 -0.16 0.45 0.70 0.00 0.00 175.22 176.34 3jrm s SER 112 N -1.23 3.51 -0.04 1.36 0.15 -0.50 -1.29 113.70 115.66 3jrm s SER 112 Ca 0.08 -0.53 0.06 0.00 0.70 0.00 0.00 55.95 56.26 3jrm s SER 112 Cb -0.09 -1.55 -0.02 0.00 -1.71 0.00 0.00 66.02 62.65 3jrm s SER 112 CO 0.02 0.04 -0.23 -0.63 1.20 0.00 0.00 173.24 173.64 3jrm s ILE 113 N 1.08 2.30 0.58 6.45 1.09 0.43 -1.90 121.20 131.23 3jrm s ILE 113 Ca -0.00 -1.00 0.07 0.00 -1.10 0.00 0.00 60.65 58.62 3jrm s ILE 113 Cb -0.14 -1.84 0.07 0.00 -1.06 0.00 0.00 42.46 39.49 3jrm s ILE 113 CO -0.05 0.58 0.57 -0.90 -0.10 0.00 0.00 174.94 175.04 3jrm n ASP 114 N 2.65 2.56 0.11 3.58 5.68 -0.10 -0.92 116.55 130.12 3jrm n ASP 114 Ca -0.17 -2.80 0.11 0.00 -0.50 0.00 0.00 54.79 51.43 3jrm n ASP 114 Cb 0.52 -0.19 0.47 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 n ALA 115 N -2.01 1.73 -0.25 2.12 0.00 -1.15 -1.70 120.51 119.25 3jrm n ALA 115 Ca -0.16 0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.45 3jrm n ALA 115 Cb 0.63 -1.38 0.30 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.74 2.37 -0.78 0.00 0.00 -1.26 -4.51 120.51 114.59 3jrm n ALA 116 Ca 0.03 -1.24 0.00 0.00 0.00 0.00 0.00 53.44 52.22 3jrm n ALA 116 Cb 0.24 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 1.56 0.67 3.69 0.00 0.00 -0.69 -3.89 105.19 106.53 3jrm n GLY 117 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.95 1.86 -0.10 -0.02 0.00 -1.26 -4.47 107.32 101.38 3jrm s GLY 118 Ca 0.00 0.83 0.02 0.00 0.00 0.00 0.00 44.72 45.57 3jrm s GLY 118 CO 0.00 2.50 -0.15 -0.45 0.00 0.00 0.00 173.10 175.00 3jrm s SER 119 N 1.90 2.39 -0.03 1.64 0.15 -1.26 -0.92 113.70 117.57 3jrm s SER 119 Ca 0.63 -0.42 0.02 0.00 0.70 0.00 0.00 55.95 56.88 3jrm s SER 119 Cb -0.30 -1.07 0.00 0.00 -1.71 0.00 0.00 66.02 62.94 3jrm s SER 119 CO 0.25 0.03 -0.09 -0.69 1.20 0.00 0.00 173.24 173.95 3jrm s VAL 120 N 0.88 0.76 0.36 4.45 1.01 -0.80 -4.96 120.40 122.10 3jrm s VAL 120 Ca -0.09 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 3jrm s VAL 120 Cb -0.15 -0.68 -0.07 0.00 0.00 0.00 0.00 36.38 35.47 3jrm s VAL 120 CO 0.00 0.24 0.74 -0.70 0.00 0.00 0.00 175.10 175.39 3jrm s GLU 121 N 0.25 3.86 0.17 2.72 2.12 -1.26 -1.41 118.70 125.14 3jrm s GLU 121 Ca -0.04 0.53 -0.23 0.00 0.36 0.00 0.00 54.97 55.59 3jrm s GLU 121 Cb -0.09 -2.42 0.06 0.00 0.26 0.00 0.00 34.13 31.94 3jrm s GLU 121 CO 0.01 0.06 0.63 0.34 -0.54 0.00 0.00 175.26 175.76 3jrm s ASP 122 N -2.78 -0.51 0.27 -1.70 -1.08 -0.77 -4.97 116.67 105.13 3jrm s ASP 122 Ca 0.52 -0.09 0.13 0.00 -0.52 0.00 0.00 52.55 52.59 3jrm s ASP 122 Cb -0.10 0.61 0.26 0.00 -1.46 0.00 0.00 42.92 42.23 3jrm s ASP 122 CO 0.25 -1.01 1.54 0.16 0.52 0.00 0.00 175.17 176.64 3jrm h ILE 123 N 2.00 1.25 -3.63 4.11 3.07 -1.95 -3.35 117.51 119.01 3jrm h ILE 123 Ca -0.31 -2.28 -0.07 0.00 1.55 0.00 0.00 64.86 63.75 3jrm h ILE 123 Cb 1.30 2.30 -0.13 0.00 -0.27 0.00 0.00 36.82 40.02 3jrm h ILE 123 CO 0.35 0.61 -0.22 -0.72 -1.05 0.00 0.00 178.15 177.13 3jrm s TYR 124 N -3.28 0.05 -0.02 0.16 -0.85 -1.26 -1.47 117.35 110.67 3jrm s TYR 124 Ca 0.01 -0.42 -0.28 0.00 -0.52 0.00 0.00 57.07 55.86 3jrm s TYR 124 Cb 0.11 0.10 0.06 0.00 0.38 0.00 0.00 41.96 42.61 3jrm s TYR 124 CO 0.75 -0.67 0.63 0.00 -1.52 0.00 0.00 175.55 174.74 3jrm s ALA 125 N -3.86 -1.64 0.05 9.51 0.00 -0.36 -5.02 121.76 120.44 3jrm s ALA 125 Ca 0.07 1.12 0.02 0.00 0.00 0.00 0.00 51.96 53.17 3jrm s ALA 125 Cb 0.03 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 3jrm s ALA 125 CO -0.08 -0.40 -0.07 0.45 0.00 0.00 0.00 175.76 175.65 3jrm s SER 126 N -1.38 0.88 0.10 0.00 0.15 -1.26 -1.02 113.70 111.17 3jrm s SER 126 Ca -0.10 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 55.92 3jrm s SER 126 Cb -0.01 0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.31 3jrm s SER 126 CO 0.07 -0.26 -0.02 0.42 1.20 0.00 0.00 173.24 174.65 3jrm s THR 127 N -1.79 0.42 0.00 6.45 -4.23 -0.50 -4.92 115.64 111.07 3jrm s THR 127 Ca -0.06 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 3jrm s THR 127 Cb -0.07 -1.78 0.00 0.00 1.34 0.00 0.00 72.50 71.99 3jrm s THR 127 CO -0.01 -0.76 0.00 0.61 -0.54 0.00 0.00 174.62 173.92 3jrm n GLY 128 N -0.04 0.39 0.31 3.99 0.00 -1.26 -1.27 105.19 107.31 3jrm n GLY 128 Ca -0.10 -1.90 0.14 0.00 0.00 0.00 0.00 46.02 44.16 3jrm n GLY 128 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3jrm h SER 129 N 0.00 0.00 -0.10 1.61 4.64 -1.61 -1.16 113.55 116.94 3jrm h SER 129 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3jrm h SER 129 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3jrm h SER 129 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3jrm n GLY 130 N -1.49 0.06 0.25 -0.77 0.00 -0.38 -4.43 105.19 98.43 3jrm n GLY 130 Ca 0.01 -0.40 0.03 0.00 0.00 0.00 0.00 46.02 45.65 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 2.05 0.26 0.27 1.61 4.64 -1.38 -2.40 113.55 118.59 3jrm h SER 131 Ca 0.00 -0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 3jrm h SER 131 Cb 0.44 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 3jrm h SER 131 CO 0.00 0.37 -0.30 -0.65 -0.87 0.00 0.00 176.83 175.38 3jrm h PRO 132 N 0.27 0.05 -0.25 4.77 0.11 -1.80 0.03 132.00 135.17 3jrm h PRO 132 Ca 0.06 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.96 3jrm h PRO 132 Cb 0.30 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.41 3jrm h PRO 132 CO 0.01 0.34 -0.60 0.74 -0.21 0.00 0.00 178.00 178.29 3jrm h PHE 133 N 0.04 1.06 -0.30 0.65 0.04 -1.77 -2.45 116.94 114.21 3jrm h PHE 133 Ca 0.00 -0.40 0.00 0.00 2.80 0.00 0.00 57.97 60.38 3jrm h PHE 133 Cb 0.55 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 3jrm h PHE 133 CO 0.00 1.22 0.20 0.28 -0.60 0.00 0.00 178.31 179.41 3jrm h VAL 134 N 0.62 1.08 -0.40 -0.55 2.07 -1.19 -2.48 116.25 115.40 3jrm h VAL 134 Ca 0.00 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.43 3jrm h VAL 134 Cb 1.20 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3jrm h VAL 134 CO 0.13 0.08 0.27 1.88 0.02 0.00 0.00 177.57 179.94 3jrm h TYR 135 N 0.41 0.32 0.57 1.57 0.05 -0.85 0.53 116.97 119.58 3jrm h TYR 135 Ca 0.11 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.87 3jrm h TYR 135 Cb -0.05 -0.11 0.01 0.00 1.01 0.00 0.00 36.73 37.59 3jrm h TYR 135 CO -0.06 0.18 -0.28 0.78 -1.05 0.00 0.00 178.16 177.74 3jrm h GLY 136 N 0.33 -0.80 0.82 3.88 0.00 -1.01 -0.31 103.07 105.98 3jrm h GLY 136 Ca 0.17 0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.82 3jrm h GLY 136 CO -0.04 -0.29 0.11 -2.08 0.00 0.00 0.00 176.54 174.23 3jrm h VAL 137 N -0.80 0.95 -0.34 4.60 2.07 -0.86 -2.52 116.25 119.35 3jrm h VAL 137 Ca -0.08 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 3jrm h VAL 137 Cb 0.60 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3jrm h VAL 137 CO 0.13 0.04 0.10 -0.07 0.02 0.00 0.00 177.57 177.79 3jrm h LEU 138 N 0.23 0.50 -0.81 2.57 3.38 -0.92 0.06 115.31 120.33 3jrm h LEU 138 Ca 0.11 -0.21 0.11 0.00 0.09 0.00 0.00 57.88 57.98 3jrm h LEU 138 Cb 0.06 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.60 3jrm h LEU 138 CO -0.10 0.58 0.43 -0.33 0.09 0.00 0.00 178.44 179.11 3jrm h GLU 139 N 0.39 0.67 -0.05 1.13 4.39 -0.83 -0.11 114.58 120.17 3jrm h GLU 139 Ca 0.11 -0.04 -0.22 0.00 0.34 0.00 0.00 59.36 59.55 3jrm h GLU 139 Cb 0.27 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 3jrm h GLU 139 CO -0.00 0.44 -0.86 1.03 -1.16 0.00 0.00 179.01 178.46 3jrm h SER 140 N 0.69 0.61 -0.00 1.42 0.87 -1.02 -3.40 113.55 112.71 3jrm h SER 140 Ca 0.41 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 3jrm h SER 140 Cb 0.47 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 3jrm h SER 140 CO -0.29 1.22 -0.02 0.00 -0.53 0.00 0.00 176.83 177.21 3jrm n GLN 141 N -3.81 6.81 -2.72 2.24 6.02 -0.03 -5.02 117.38 120.87 3jrm n GLN 141 Ca -0.06 -0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.51 3jrm n GLN 141 Cb 0.78 -0.52 -0.04 0.00 1.02 0.00 0.00 30.24 31.48 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 -1.03 3.79 -0.02 1.08 5.04 -0.11 -5.02 117.35 121.07 3jrm s TYR 142 Ca 0.00 1.78 0.06 0.00 -2.44 0.00 0.00 57.07 56.48 3jrm s TYR 142 Cb 0.00 -3.07 -0.01 0.00 0.35 0.00 0.00 41.96 39.23 3jrm s TYR 142 CO 0.02 0.15 -0.20 0.45 -1.34 0.00 0.00 175.55 174.63 3jrm s SER 143 N 0.08 2.42 0.54 4.32 0.15 -1.26 -4.99 113.70 114.95 3jrm s SER 143 Ca 0.47 -0.38 0.22 0.00 0.70 0.00 0.00 55.95 56.97 3jrm s SER 143 Cb -0.23 -0.32 1.40 0.00 -1.71 0.00 0.00 66.02 65.16 3jrm s SER 143 CO 0.30 0.24 2.10 -0.33 1.20 0.00 0.00 173.24 176.75 3jrm h GLU 144 N 5.69 0.00 -0.16 5.44 5.08 -1.97 -2.34 114.58 126.34 3jrm h GLU 144 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3jrm h GLU 144 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3jrm h GLU 144 CO 0.48 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.12 3jrm n LYS 145 N -4.34 1.51 -1.99 2.33 5.02 -1.26 -4.32 118.16 115.11 3jrm n LYS 145 Ca 0.02 -0.77 -0.36 0.00 -2.02 0.00 0.00 58.31 55.18 3jrm n LYS 145 Cb 0.30 -1.29 0.03 0.00 -0.02 0.00 0.00 35.03 34.05 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 -1.79 2.96 0.57 1.97 -1.94 -0.88 -5.03 119.30 115.15 3jrm s MET 146 Ca 0.25 1.77 -0.07 0.00 -1.71 0.00 0.00 55.69 55.93 3jrm s MET 146 Cb 0.13 -1.93 -0.02 0.00 2.01 0.00 0.00 34.83 35.02 3jrm s MET 146 CO 0.19 -1.20 0.90 0.95 -0.01 0.00 0.00 175.02 175.85 3jrm s THR 147 N -1.68 4.30 0.26 2.05 -4.23 -1.26 -4.69 115.64 110.39 3jrm s THR 147 Ca 0.76 0.29 -0.02 0.00 -1.18 0.00 0.00 61.69 61.54 3jrm s THR 147 Cb -0.29 -3.69 0.24 0.00 1.34 0.00 0.00 72.50 70.11 3jrm s THR 147 CO 0.33 -0.75 1.80 0.58 -0.54 0.00 0.00 174.62 176.05 3jrm h VAL 148 N -0.10 0.86 -0.61 2.29 2.07 -1.99 0.69 116.25 119.46 3jrm h VAL 148 Ca -0.46 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 3jrm h VAL 148 Cb 1.22 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 3jrm h VAL 148 CO 0.62 0.15 0.15 0.44 0.02 0.00 0.00 177.57 178.94 3jrm h ASP 149 N 0.81 0.90 -0.43 0.57 3.32 -2.00 -0.57 116.42 119.02 3jrm h ASP 149 Ca 0.45 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 57.23 3jrm h ASP 149 Cb 0.48 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3jrm h ASP 149 CO -0.28 0.88 -0.10 -0.33 -1.72 0.00 0.00 179.24 177.68 3jrm h GLU 150 N 0.92 0.83 -0.04 3.56 5.08 -1.69 -2.60 114.58 120.65 3jrm h GLU 150 Ca 0.20 -0.32 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3jrm h GLU 150 Cb 0.33 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3jrm h GLU 150 CO 0.00 0.95 -0.09 0.78 -1.00 0.00 0.00 179.01 179.64 3jrm h GLY 151 N 0.66 -0.07 0.49 -3.84 0.00 -0.40 0.22 103.07 100.13 3jrm h GLY 151 Ca 0.11 0.11 0.09 0.00 0.00 0.00 0.00 47.33 47.65 3jrm h GLY 151 CO 0.04 -0.10 0.39 -2.08 0.00 0.00 0.00 176.54 174.79 3jrm h VAL 152 N -0.14 0.87 -0.64 4.60 2.07 -1.12 -0.59 116.25 121.29 3jrm h VAL 152 Ca 0.05 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 3jrm h VAL 152 Cb 0.21 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 3jrm h VAL 152 CO -0.12 0.12 0.28 0.44 0.02 0.00 0.00 177.57 178.30 3jrm h ASP 153 N 0.65 0.86 -0.34 0.57 3.32 -1.12 -1.98 116.42 118.39 3jrm h ASP 153 Ca 0.36 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3jrm h ASP 153 Cb 0.36 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3jrm h ASP 153 CO -0.26 0.78 0.21 0.25 -1.72 0.00 0.00 179.24 178.50 3jrm h LEU 154 N 0.89 0.40 -0.72 1.55 5.85 0.48 -1.16 115.31 122.59 3jrm h LEU 154 Ca 0.22 -0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.78 3jrm h LEU 154 Cb 0.17 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3jrm h LEU 154 CO -0.02 0.31 -0.30 -0.37 -0.34 0.00 0.00 178.44 177.72 3jrm h VAL 155 N 0.44 1.28 -0.79 1.05 -1.51 -1.07 -0.37 116.25 115.28 3jrm h VAL 155 Ca 0.12 -1.41 -0.02 0.00 -1.23 0.00 0.00 66.70 64.16 3jrm h VAL 155 Cb -0.02 1.36 -0.04 0.00 -2.13 0.00 0.00 31.29 30.47 3jrm h VAL 155 CO -0.02 0.46 0.42 0.40 -1.23 0.00 0.00 177.57 177.59 3jrm h ILE 156 N 0.55 1.24 0.02 7.19 2.04 -0.99 -0.24 117.51 127.32 3jrm h ILE 156 Ca 0.07 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 3jrm h ILE 156 Cb 0.79 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3jrm h ILE 156 CO 0.06 0.27 -0.01 0.03 0.00 0.00 0.00 178.15 178.51 3jrm h ARG 157 N 1.11 -0.02 -0.24 2.37 3.08 -0.76 -1.14 114.38 118.79 3jrm h ARG 157 Ca 0.28 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.39 3jrm h ARG 157 Cb 0.06 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 3jrm h ARG 157 CO -0.04 0.28 -0.14 0.00 -1.07 0.00 0.00 179.97 179.00 3jrm h ALA 158 N 0.65 0.04 -0.10 0.04 0.00 -0.69 -0.71 119.26 118.49 3jrm h ALA 158 Ca -0.00 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3jrm h ALA 158 Cb 0.31 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3jrm h ALA 158 CO 0.00 -0.55 -0.38 0.82 0.00 0.00 0.00 179.25 179.14 3jrm h ILE 159 N -0.12 1.29 -0.60 0.00 2.04 -1.05 -1.52 117.51 117.55 3jrm h ILE 159 Ca 0.13 -1.42 -0.09 0.00 1.00 0.00 0.00 64.86 64.47 3jrm h ILE 159 Cb 0.32 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 3jrm h ILE 159 CO -0.31 0.42 0.00 0.28 0.00 0.00 0.00 178.15 178.55 3jrm h SER 160 N 0.18 1.02 -0.07 1.72 0.02 -0.72 0.08 113.55 115.78 3jrm h SER 160 Ca 0.02 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3jrm h SER 160 Cb 0.75 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 3jrm h SER 160 CO 0.06 1.06 0.04 0.00 -1.14 0.00 0.00 176.83 176.85 3jrm h ALA 161 N 1.04 0.09 -0.80 3.77 0.00 -0.81 -2.34 119.26 120.20 3jrm h ALA 161 Ca 0.17 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3jrm h ALA 161 Cb 0.54 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3jrm h ALA 161 CO 0.03 -0.36 0.53 0.00 0.00 0.00 0.00 179.25 179.44 3jrm h ALA 162 N 0.93 1.03 -0.40 0.00 0.00 -1.02 -1.60 119.26 118.19 3jrm h ALA 162 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3jrm h ALA 162 Cb 0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3jrm h ALA 162 CO -0.00 0.40 0.25 0.87 0.00 0.00 0.00 179.25 180.77 3jrm h LYS 163 N 1.06 0.53 0.00 0.00 1.57 -0.83 0.07 116.57 118.97 3jrm h LYS 163 Ca 0.30 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 3jrm h LYS 163 Cb -0.08 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.11 3jrm h LYS 163 CO -0.08 0.36 -0.07 1.96 -0.57 0.00 0.00 179.45 181.06 3jrm h GLN 164 N 0.54 0.00 0.00 3.15 1.08 -0.73 -3.34 115.11 115.80 3jrm h GLN 164 Ca 0.15 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 3jrm h GLN 164 Cb -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 3jrm h GLN 164 CO -0.03 0.07 0.00 0.54 -0.95 0.00 0.00 178.83 178.46 3jrm n ARG 165 N -3.19 0.39 -3.95 1.46 5.12 -0.88 -4.97 116.66 110.65 3jrm n ARG 165 Ca 0.00 -0.28 -0.29 0.00 -1.93 0.00 0.00 57.85 55.36 3jrm n ARG 165 Cb 0.34 -0.75 -0.16 0.00 -1.16 0.00 0.00 32.46 30.73 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 -0.14 2.95 0.31 0.55 2.15 -0.04 -4.98 116.67 117.47 3jrm s ASP 166 Ca 0.00 -0.68 0.26 0.00 0.43 0.00 0.00 52.55 52.55 3jrm s ASP 166 Cb 0.00 -1.05 0.80 0.00 -0.30 0.00 0.00 42.92 42.36 3jrm s ASP 166 CO 0.00 -0.15 1.75 0.77 -0.17 0.00 0.00 175.17 177.37 3jrm h SER 167 N 8.06 0.00 0.74 -0.34 4.64 -1.86 -2.07 113.55 122.72 3jrm h SER 167 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3jrm h SER 167 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3jrm h SER 167 CO 0.45 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.41 3jrm n ALA 168 N -1.89 2.30 -2.57 5.18 0.00 -1.26 -4.74 120.51 117.53 3jrm n ALA 168 Ca 0.04 -0.11 -0.32 0.00 0.00 0.00 0.00 53.44 53.05 3jrm n ALA 168 Cb 0.40 -1.44 -0.11 0.00 0.00 0.00 0.00 19.45 18.30 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 -2.80 4.50 0.00 0.00 0.01 -0.78 -1.85 113.70 112.78 3jrm s SER 169 Ca 0.19 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.26 3jrm s SER 169 Cb 0.18 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 65.41 3jrm s SER 169 CO 0.46 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.99 3jrm n GLY 170 N 1.52 -0.22 0.62 3.44 0.00 -1.26 -4.74 105.19 104.55 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 -0.35 -2.10 3.76 -0.02 0.00 -1.26 -1.68 105.19 103.54 3jrm n GLY 171 Ca 0.00 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 3jrm n GLY 171 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3jrm s MET 172 N -0.15 4.38 0.28 1.61 1.75 -1.26 -4.67 119.30 121.23 3jrm s MET 172 Ca 0.00 2.18 -0.28 0.00 -1.25 0.00 0.00 55.69 56.34 3jrm s MET 172 Cb 0.00 -3.09 -0.09 0.00 2.84 0.00 0.00 34.83 34.48 3jrm s MET 172 CO 0.00 -0.18 0.93 0.42 -0.65 0.00 0.00 175.02 175.54 3jrm s ILE 173 N -0.96 4.16 -0.12 10.11 1.01 -1.26 -3.78 121.20 130.37 3jrm s ILE 173 Ca 0.50 1.93 -0.01 0.00 0.00 0.00 0.00 60.65 63.07 3jrm s ILE 173 Cb -0.39 -4.16 0.03 0.00 0.01 0.00 0.00 42.46 37.95 3jrm s ILE 173 CO 0.50 0.32 -0.07 -0.62 0.00 0.00 0.00 174.94 175.07 3jrm s ASP 174 N -1.40 2.24 -0.03 3.58 3.68 -0.44 -4.99 116.67 119.30 3jrm s ASP 174 Ca 0.45 -0.34 0.04 0.00 2.13 0.00 0.00 52.55 54.83 3jrm s ASP 174 Cb -0.22 -0.83 -0.00 0.00 -1.45 0.00 0.00 42.92 40.42 3jrm s ASP 174 CO 0.27 -0.13 -0.14 -0.69 0.13 0.00 0.00 175.17 174.61 3jrm s VAL 175 N 1.72 1.19 -0.04 1.11 1.01 -1.26 -1.85 120.40 122.27 3jrm s VAL 175 Ca 0.04 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.48 3jrm s VAL 175 Cb -0.13 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 3jrm s VAL 175 CO -0.08 0.35 -0.19 0.00 0.00 0.00 0.00 175.10 175.18 3jrm s ALA 176 N -0.00 1.66 -0.10 5.51 0.00 0.17 -0.75 121.76 128.24 3jrm s ALA 176 Ca -0.01 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.17 3jrm s ALA 176 Cb -0.09 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 3jrm s ALA 176 CO 0.01 0.33 -0.13 0.08 0.00 0.00 0.00 175.76 176.05 3jrm s VAL 177 N -0.13 3.10 -0.22 0.00 1.01 0.11 -1.11 120.40 123.16 3jrm s VAL 177 Ca -0.01 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.32 3jrm s VAL 177 Cb -0.11 -2.27 0.05 0.00 0.00 0.00 0.00 36.38 34.04 3jrm s VAL 177 CO 0.02 0.55 -0.11 -0.63 0.00 0.00 0.00 175.10 174.92 3jrm s ILE 178 N -0.05 1.84 0.14 2.22 1.01 0.38 -0.84 121.20 125.90 3jrm s ILE 178 Ca -0.03 -1.23 0.07 0.00 0.00 0.00 0.00 60.65 59.46 3jrm s ILE 178 Cb -0.14 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 3jrm s ILE 178 CO 0.04 0.11 -0.15 0.42 0.00 0.00 0.00 174.94 175.37 3jrm s THR 179 N 1.29 1.48 0.22 2.92 -4.23 -0.80 -1.83 115.64 114.68 3jrm s THR 179 Ca -0.04 -1.85 -0.08 0.00 -1.18 0.00 0.00 61.69 58.54 3jrm s THR 179 Cb -0.17 -1.69 0.17 0.00 1.34 0.00 0.00 72.50 72.15 3jrm s THR 179 CO -0.07 -0.44 1.84 -0.09 -0.54 0.00 0.00 174.62 175.31 3jrm h ARG 180 N 3.28 0.82 0.29 3.99 9.65 -1.88 0.31 114.38 130.84 3jrm h ARG 180 Ca -0.40 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.42 3jrm h ARG 180 Cb 1.20 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.60 3jrm h ARG 180 CO 0.53 0.54 -0.14 -0.22 2.80 0.00 0.00 179.97 183.49 3jrm h LYS 181 N 0.85 -0.37 -0.04 0.20 3.64 -1.96 -3.34 116.57 115.55 3jrm h LYS 181 Ca 0.32 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 3jrm h LYS 181 Cb 0.13 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3jrm h LYS 181 CO -0.16 -0.16 0.00 -0.25 -2.27 0.00 0.00 179.45 176.62 3jrm n ASP 182 N -5.20 2.09 0.00 4.20 8.00 -1.22 -5.10 116.55 119.32 3jrm n ASP 182 Ca -0.10 -1.55 0.00 0.00 0.71 0.00 0.00 54.79 53.86 3jrm n ASP 182 Cb 0.21 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 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 0.69 0.11 3.59 0.44 0.00 0.11 -4.54 105.19 105.58 3jrm n GLY 183 Ca 0.08 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 2.67 -0.19 1.61 6.14 -1.17 -1.90 117.35 124.50 3jrm s TYR 184 Ca 0.00 0.49 -0.03 0.00 0.64 0.00 0.00 57.07 58.17 3jrm s TYR 184 Cb 0.00 -4.49 -0.01 0.00 0.42 0.00 0.00 41.96 37.88 3jrm s TYR 184 CO 0.00 -1.50 -0.07 0.08 0.64 0.00 0.00 175.55 174.71 3jrm s VAL 185 N 4.80 3.32 -0.24 3.14 1.01 -0.02 -4.99 120.40 127.42 3jrm s VAL 185 Ca 0.44 -0.53 -0.26 0.00 0.00 0.00 0.00 61.98 61.64 3jrm s VAL 185 Cb -0.07 -2.48 -0.00 0.00 0.00 0.00 0.00 36.38 33.83 3jrm s VAL 185 CO 0.27 0.45 0.88 -1.58 0.00 0.00 0.00 175.10 175.13 3jrm s GLN 186 N 1.13 4.20 0.49 2.72 0.74 -1.26 -0.72 119.66 126.96 3jrm s GLN 186 Ca 0.01 1.04 -0.23 0.00 0.05 0.00 0.00 55.36 56.23 3jrm s GLN 186 Cb -0.15 -3.65 -0.07 0.00 1.10 0.00 0.00 33.01 30.25 3jrm s GLN 186 CO -0.01 -0.55 1.31 1.28 -0.55 0.00 0.00 175.29 176.77 3jrm n LEU 187 N 6.09 4.80 -4.82 3.68 4.77 0.07 -4.98 117.00 126.61 3jrm n LEU 187 Ca 0.07 1.03 -0.32 0.00 -0.03 0.00 0.00 56.01 56.76 3jrm n LEU 187 Cb 0.47 -1.54 0.01 0.00 -2.33 0.00 0.00 43.42 40.03 3jrm n LEU 187 CO 0.49 -0.64 0.71 -2.84 -1.33 0.00 0.00 177.39 173.77 3jrm s PRO 188 N -2.57 3.38 0.16 3.23 0.02 -1.26 -4.72 135.00 133.24 3jrm s PRO 188 Ca 0.67 1.06 -0.15 0.00 0.02 0.00 0.00 61.00 62.60 3jrm s PRO 188 Cb -0.45 -2.05 0.04 0.00 0.02 0.00 0.00 34.50 32.06 3jrm s PRO 188 CO 0.53 -0.75 1.79 1.15 -0.33 0.00 0.00 177.00 179.40 3jrm h THR 189 N 0.21 1.15 -0.77 0.99 2.02 -1.96 -2.55 112.91 112.01 3jrm h THR 189 Ca -0.46 -0.35 0.15 0.00 0.77 0.00 0.00 66.41 66.52 3jrm h THR 189 Cb 1.21 0.50 -0.14 0.00 -1.74 0.00 0.00 68.15 67.97 3jrm h THR 189 CO 0.58 0.16 -0.23 0.44 0.37 0.00 0.00 175.52 176.84 3jrm h ASP 190 N 0.66 -0.83 -0.47 4.18 5.19 -1.99 -0.66 116.42 122.50 3jrm h ASP 190 Ca 0.18 0.24 -0.14 0.00 -0.62 0.00 0.00 57.03 56.69 3jrm h ASP 190 Cb -0.01 0.51 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 3jrm h ASP 190 CO -0.03 -0.27 -0.25 -0.61 -3.12 0.00 0.00 179.24 174.96 3jrm h GLN 191 N -0.02 0.99 0.17 3.56 4.15 -1.86 0.48 115.11 122.58 3jrm h GLN 191 Ca 0.35 -0.44 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 3jrm h GLN 191 Cb 0.57 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.24 3jrm h GLN 191 CO -0.80 1.12 -0.08 0.82 -1.93 0.00 0.00 178.83 177.96 3jrm h ILE 192 N 0.85 0.93 -0.63 2.39 2.04 -1.10 -2.28 117.51 119.71 3jrm h ILE 192 Ca 0.10 -0.57 0.13 0.00 1.00 0.00 0.00 64.86 65.52 3jrm h ILE 192 Cb 0.83 1.27 -0.09 0.00 -0.74 0.00 0.00 36.82 38.09 3jrm h ILE 192 CO 0.07 0.13 0.10 -0.33 0.00 0.00 0.00 178.15 178.13 3jrm h GLU 193 N -0.51 0.22 -0.46 2.37 5.08 -1.04 -1.00 114.58 119.23 3jrm h GLU 193 Ca -0.02 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.41 3jrm h GLU 193 Cb 0.39 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 3jrm h GLU 193 CO 0.04 0.14 -0.00 1.03 -1.00 0.00 0.00 179.01 179.22 3jrm h SER 194 N 0.22 -0.19 0.43 1.42 0.87 -0.78 -1.22 113.55 114.30 3jrm h SER 194 Ca 0.33 0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 60.91 3jrm h SER 194 Cb 0.53 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 3jrm h SER 194 CO -0.45 -0.06 -0.42 0.03 -0.53 0.00 0.00 176.83 175.40 3jrm h ARG 195 N 0.11 0.00 -0.54 2.24 3.08 -0.70 -0.94 114.38 117.62 3jrm h ARG 195 Ca 0.23 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 3jrm h ARG 195 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 3jrm h ARG 195 CO -0.38 0.42 0.26 0.82 -1.07 0.00 0.00 179.97 180.02 3jrm h ILE 196 N 0.00 1.20 0.61 2.04 2.04 -0.20 0.13 117.51 123.33 3jrm h ILE 196 Ca -0.00 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 3jrm h ILE 196 Cb 0.75 0.57 0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3jrm h ILE 196 CO 0.05 0.22 -0.29 0.03 0.00 0.00 0.00 178.15 178.17 3jrm h ARG 197 N 0.73 -0.79 -0.95 2.37 3.08 -0.97 -1.65 114.38 116.20 3jrm h ARG 197 Ca 0.19 0.05 0.19 0.00 0.07 0.00 0.00 59.98 60.48 3jrm h ARG 197 Cb 0.11 0.18 -0.08 0.00 0.08 0.00 0.00 29.97 30.26 3jrm h ARG 197 CO -0.02 -0.49 0.61 -0.22 -1.07 0.00 0.00 179.97 178.77 3jrm h LYS 198 N -0.92 0.59 0.00 0.04 3.64 -1.09 0.99 116.57 119.82 3jrm h LYS 198 Ca -0.08 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3jrm h LYS 198 Cb 0.66 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3jrm h LYS 198 CO 0.14 0.39 -0.19 1.28 -2.27 0.00 0.00 179.45 178.80 3jrm n LEU 199 N -4.62 0.37 -2.04 5.20 4.77 0.02 -5.00 117.00 115.71 3jrm n LEU 199 Ca 0.21 0.38 -0.02 0.00 -0.03 0.00 0.00 56.01 56.54 3jrm n LEU 199 Cb 0.61 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3jrm n LEU 199 CO 0.27 -0.02 0.06 0.61 -1.33 0.00 0.00 177.39 176.98 3jrm n GLY 200 N 1.44 -0.82 0.00 -0.72 0.00 0.34 -5.07 105.19 100.35 3jrm n GLY 200 Ca 0.06 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.87 -5.03 117.00 116.10 3jrm n LEU 201 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3jrm n LEU 201 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3jrm n LEU 201 CO 0.19 0.00 0.00 -0.38 -1.33 0.00 0.00 177.39 175.87 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