#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4s s HIS 2 N 0.00 3.23 -0.38 1.12 3.76 0.14 -4.46 115.29 118.70 3g4s s HIS 2 Ca 0.00 -0.12 -0.02 0.00 -0.15 0.00 0.00 55.06 54.76 3g4s s HIS 2 Cb 0.00 -1.67 0.10 0.00 1.11 0.00 0.00 32.58 32.12 3g4s s HIS 2 CO 0.00 0.31 0.16 0.00 -0.85 0.00 0.00 174.74 174.36 3g4s s ALA 3 N -2.10 3.08 -0.02 -1.40 0.00 -0.18 -0.83 121.76 120.32 3g4s s ALA 3 Ca 0.37 -2.38 -0.23 0.00 0.00 0.00 0.00 51.96 49.72 3g4s s ALA 3 Cb -0.09 -2.30 -0.05 0.00 0.00 0.00 0.00 23.12 20.69 3g4s s ALA 3 CO 0.28 -1.69 0.70 -0.51 0.00 0.00 0.00 175.76 174.54 3g4s s LEU 4 N 1.15 4.38 -0.15 0.00 1.43 -0.37 -3.81 118.68 121.31 3g4s s LEU 4 Ca 0.06 1.26 -0.03 0.00 -1.03 0.00 0.00 54.13 54.39 3g4s s LEU 4 Cb -0.22 -3.09 0.05 0.00 0.03 0.00 0.00 46.19 42.96 3g4s s LEU 4 CO -0.04 -0.03 0.03 -0.69 0.23 0.00 0.00 176.35 175.85 3g4s s VAL 5 N 0.35 0.40 0.01 -1.59 1.01 -0.55 -1.39 120.40 118.64 3g4s s VAL 5 Ca 0.36 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 3g4s s VAL 5 Cb -0.19 -0.81 -0.07 0.00 0.00 0.00 0.00 36.38 35.31 3g4s s VAL 5 CO 0.19 -0.07 1.62 -1.58 0.00 0.00 0.00 175.10 175.27 3g4s s GLN 6 N 1.93 4.20 -0.00 2.72 0.74 -1.02 -2.08 119.66 126.14 3g4s s GLN 6 Ca 0.01 2.23 0.04 0.00 0.05 0.00 0.00 55.36 57.69 3g4s s GLN 6 Cb -0.15 -3.75 -0.05 0.00 1.10 0.00 0.00 33.01 30.16 3g4s s GLN 6 CO -0.07 -0.75 0.13 1.28 -0.55 0.00 0.00 175.29 175.32 3g4s n LEU 7 N 6.15 0.10 -4.54 3.68 4.77 -0.68 -0.79 117.00 125.69 3g4s n LEU 7 Ca 0.16 -0.29 -0.30 0.00 -0.03 0.00 0.00 56.01 55.55 3g4s n LEU 7 Cb 0.42 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.40 3g4s n LEU 7 CO 0.62 0.03 -0.45 -0.13 -1.33 0.00 0.00 177.39 176.13 3g4s s ARG 8 N -1.73 2.04 1.21 3.23 0.52 -1.06 -4.94 118.95 118.22 3g4s s ARG 8 Ca 0.00 -1.05 -0.19 0.00 -0.52 0.00 0.00 55.73 53.97 3g4s s ARG 8 Cb 0.03 -2.25 0.29 0.00 0.52 0.00 0.00 34.95 33.54 3g4s s ARG 8 CO 0.16 0.51 1.09 0.20 0.02 0.00 0.00 175.30 177.28 3g4s s GLY 9 N -2.07 1.57 0.12 -3.53 0.00 -1.26 -4.86 107.32 97.29 3g4s s GLY 9 Ca 0.19 -0.90 0.08 0.00 0.00 0.00 0.00 44.72 44.09 3g4s s GLY 9 CO 0.11 -0.02 1.24 1.05 0.00 0.00 0.00 173.10 175.48 3g4s h GLU 10 N -2.62 0.00 -6.80 2.90 4.11 -1.95 -3.43 114.58 106.80 3g4s h GLU 10 Ca -0.46 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.45 3g4s h GLU 10 Cb 1.30 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.61 3g4s h GLU 10 CO 0.35 0.93 0.71 0.08 0.07 0.00 0.00 179.01 181.15 3g4s s VAL 11 N -2.72 2.69 0.00 -1.06 1.01 -1.26 -2.88 120.40 116.19 3g4s s VAL 11 Ca 0.01 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.61 3g4s s VAL 11 Cb 0.10 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 33.08 3g4s s VAL 11 CO 0.82 0.12 0.00 0.59 0.00 0.00 0.00 175.10 176.62 3g4s n ASN 12 N 1.72 0.00 -4.80 3.32 3.02 -1.26 -4.97 115.26 112.30 3g4s n ASN 12 Ca 0.04 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.20 3g4s n ASN 12 Cb 0.41 -1.11 -0.06 0.00 -0.61 0.00 0.00 39.78 38.41 3g4s n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g4s s MET 13 N -0.17 4.25 0.52 3.52 0.23 -1.14 -5.02 119.30 121.49 3g4s s MET 13 Ca 0.00 0.75 -0.19 0.00 -1.03 0.00 0.00 55.69 55.23 3g4s s MET 13 Cb 0.00 -3.26 -0.11 0.00 -1.53 0.00 0.00 34.83 29.93 3g4s s MET 13 CO 0.00 0.57 0.38 0.72 -2.03 0.00 0.00 175.02 174.66 3g4s n HIS 14 N 1.96 -1.16 -0.06 3.16 8.25 -1.26 -4.78 115.22 121.33 3g4s n HIS 14 Ca -0.09 0.48 -0.08 0.00 -0.26 0.00 0.00 57.72 57.76 3g4s n HIS 14 Cb 0.51 -1.90 0.08 0.00 1.12 0.00 0.00 29.99 29.80 3g4s n HIS 14 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3g4s h THR 15 N 0.31 1.28 0.00 1.59 2.02 -1.96 -0.83 112.91 115.32 3g4s h THR 15 Ca -0.43 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.27 3g4s h THR 15 Cb 1.41 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 3g4s h THR 15 CO 0.47 0.48 0.00 -2.24 0.37 0.00 0.00 175.52 174.60 3g4s h ASP 16 N 0.60 0.00 0.20 4.18 2.03 -1.99 -1.51 116.42 119.92 3g4s h ASP 16 Ca 0.06 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 56.06 3g4s h ASP 16 Cb 0.85 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.30 3g4s h ASP 16 CO 0.07 0.00 -2.08 -0.38 -1.03 0.00 0.00 179.24 175.83 3g4s n ILE 17 N -2.86 1.32 0.14 4.15 5.41 -1.12 -3.51 119.36 122.88 3g4s n ILE 17 Ca 0.02 -0.80 -0.01 0.00 1.00 0.00 0.00 62.75 62.97 3g4s n ILE 17 Cb 0.34 -0.61 0.16 0.00 -0.71 0.00 0.00 39.64 38.82 3g4s n ILE 17 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 3g4s h GLN 18 N 0.00 0.00 0.02 0.38 4.15 -0.94 -2.17 115.11 116.55 3g4s h GLN 18 Ca -0.40 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 58.82 3g4s h GLN 18 Cb 2.02 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.70 3g4s h GLN 18 CO 0.04 0.61 -0.92 -0.44 -1.93 0.00 0.00 178.83 176.20 3g4s h ASP 19 N 0.00 0.17 -0.29 -0.69 3.32 -1.44 -2.49 116.42 115.00 3g4s h ASP 19 Ca -0.01 -0.15 -0.10 0.00 0.02 0.00 0.00 57.03 56.79 3g4s h ASP 19 Cb 1.15 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 3g4s h ASP 19 CO 0.08 1.00 -0.21 0.74 -1.72 0.00 0.00 179.24 179.13 3g4s h THR 20 N 0.06 1.30 -0.58 0.35 2.02 -1.56 0.33 112.91 114.84 3g4s h THR 20 Ca -0.04 -1.35 -0.02 0.00 0.77 0.00 0.00 66.41 65.76 3g4s h THR 20 Cb 1.58 1.54 -0.03 0.00 -1.74 0.00 0.00 68.15 69.50 3g4s h THR 20 CO 0.13 0.43 0.26 -0.07 0.37 0.00 0.00 175.52 176.65 3g4s h LEU 21 N 0.40 0.75 -0.42 2.58 3.38 -1.41 -0.54 115.31 120.05 3g4s h LEU 21 Ca 0.06 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 3g4s h LEU 21 Cb 0.76 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3g4s h LEU 21 CO 0.06 0.65 -0.68 -0.33 0.09 0.00 0.00 178.44 178.23 3g4s h GLU 22 N 0.82 0.00 0.00 1.13 5.08 -1.24 -0.72 114.58 119.65 3g4s h GLU 22 Ca 0.20 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.46 3g4s h GLU 22 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3g4s h GLU 22 CO -0.02 0.68 -0.47 0.52 -1.00 0.00 0.00 179.01 178.72 3g4s h MET 23 N 0.00 0.00 -0.98 2.33 2.86 0.12 -2.02 114.93 117.23 3g4s h MET 23 Ca -0.01 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.37 3g4s h MET 23 Cb 1.33 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 32.83 3g4s h MET 23 CO 0.09 0.47 0.34 1.28 1.06 0.00 0.00 176.91 180.15 3g4s n LEU 24 N -3.78 4.96 -1.65 1.22 4.77 -0.31 -4.87 117.00 117.34 3g4s n LEU 24 Ca -0.01 -2.60 -0.15 0.00 -0.03 0.00 0.00 56.01 53.22 3g4s n LEU 24 Cb 0.52 -0.68 -0.05 0.00 -2.33 0.00 0.00 43.42 40.88 3g4s n LEU 24 CO 0.39 0.78 -0.15 0.59 -1.33 0.00 0.00 177.39 177.67 3g4s n ASN 25 N -0.35 -4.04 -4.27 -1.43 3.02 -0.76 -4.81 115.26 102.61 3g4s n ASN 25 Ca 0.32 0.32 -0.34 0.00 -0.03 0.00 0.00 54.58 54.84 3g4s n ASN 25 Cb 1.12 -3.65 -0.14 0.00 -0.61 0.00 0.00 39.78 36.50 3g4s n ASN 25 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3g4s s ILE 26 N -2.36 3.05 -0.03 2.41 1.01 -0.31 -4.70 121.20 120.26 3g4s s ILE 26 Ca 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.06 3g4s s ILE 26 Cb 0.00 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 3g4s s ILE 26 CO 0.00 0.46 -0.02 1.41 0.00 0.00 0.00 174.94 176.79 3g4s n HIS 27 N 4.69 0.00 -3.56 3.97 8.25 -1.26 -3.19 115.22 124.12 3g4s n HIS 27 Ca -0.19 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.05 3g4s n HIS 27 Cb 0.51 -0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.48 3g4s n HIS 27 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3g4s s HIS 28 N -2.07 2.18 0.34 4.41 3.76 -1.26 -4.95 115.29 117.71 3g4s s HIS 28 Ca -0.03 -0.63 -0.25 0.00 -0.15 0.00 0.00 55.06 53.99 3g4s s HIS 28 Cb 0.01 -2.11 -0.10 0.00 1.11 0.00 0.00 32.58 31.49 3g4s s HIS 28 CO 0.09 -0.40 0.95 0.08 -0.85 0.00 0.00 174.74 174.61 3g4s s VAL 29 N -2.59 4.19 -0.25 -0.90 1.01 -1.26 -3.45 120.40 117.15 3g4s s VAL 29 Ca 0.46 1.74 0.00 0.00 0.00 0.00 0.00 61.98 64.18 3g4s s VAL 29 Cb -0.03 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.41 3g4s s VAL 29 CO 0.28 0.07 0.00 0.59 0.00 0.00 0.00 175.10 176.04 3g4s n ASN 30 N 0.36 -4.00 -4.78 3.32 3.02 0.03 -4.96 115.26 108.24 3g4s n ASN 30 Ca 0.03 0.06 -0.38 0.00 -0.03 0.00 0.00 54.58 54.26 3g4s n ASN 30 Cb 0.50 -1.70 -0.06 0.00 -0.61 0.00 0.00 39.78 37.91 3g4s n ASN 30 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3g4s s HIS 31 N -1.85 3.65 0.04 3.10 3.76 -1.22 -1.76 115.29 121.01 3g4s s HIS 31 Ca 0.00 0.99 0.08 0.00 -0.15 0.00 0.00 55.06 55.98 3g4s s HIS 31 Cb 0.00 -2.43 -0.03 0.00 1.11 0.00 0.00 32.58 31.23 3g4s s HIS 31 CO 0.00 0.43 -0.23 0.00 -0.85 0.00 0.00 174.74 174.08 3g4s s THR 33 N -0.85 0.74 -0.44 0.00 -1.32 -0.48 0.21 115.64 113.51 3g4s s THR 33 Ca 0.13 -1.01 -0.16 0.00 -1.21 0.00 0.00 61.69 59.43 3g4s s THR 33 Cb -0.10 -0.74 0.04 0.00 -1.51 0.00 0.00 72.50 70.18 3g4s s THR 33 CO 0.03 -0.23 0.39 -0.76 -2.21 0.00 0.00 174.62 171.85 3g4s s LEU 34 N -1.37 5.14 -0.14 9.08 1.43 -1.26 -1.24 118.68 130.32 3g4s s LEU 34 Ca -0.05 -0.93 -0.02 0.00 -1.03 0.00 0.00 54.13 52.10 3g4s s LEU 34 Cb -0.09 -2.26 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 3g4s s LEU 34 CO 0.01 -0.57 -0.08 0.54 0.23 0.00 0.00 176.35 176.47 3g4s s VAL 35 N 1.89 3.47 0.91 -1.59 0.11 -0.01 -4.96 120.40 120.23 3g4s s VAL 35 Ca 0.08 -0.51 -0.11 0.00 -2.93 0.00 0.00 61.98 58.51 3g4s s VAL 35 Cb -0.20 -2.49 0.14 0.00 -1.53 0.00 0.00 36.38 32.30 3g4s s VAL 35 CO 0.11 0.51 1.10 -2.84 -3.33 0.00 0.00 175.10 170.64 3g4s s PRO 36 N 0.35 1.13 -0.78 1.54 0.02 -1.26 0.28 135.00 136.28 3g4s s PRO 36 Ca -0.08 1.06 -0.05 0.00 0.02 0.00 0.00 61.00 61.96 3g4s s PRO 36 Cb -0.15 -1.78 0.20 0.00 0.02 0.00 0.00 34.50 32.79 3g4s s PRO 36 CO 0.04 -2.40 0.65 -1.21 -0.33 0.00 0.00 177.00 173.75 3g4s s GLU 37 N -4.80 3.07 0.00 5.54 2.02 -1.26 -4.68 118.70 118.58 3g4s s GLU 37 Ca 0.64 -2.82 0.00 0.00 0.02 0.00 0.00 54.97 52.82 3g4s s GLU 37 Cb -0.20 -3.97 0.00 0.00 0.10 0.00 0.00 34.13 30.07 3g4s s GLU 37 CO 0.58 -1.23 0.00 2.41 0.02 0.00 0.00 175.26 177.04 3g4s n THR 38 N 3.12 0.00 -0.11 3.63 -1.04 -1.26 -4.95 114.28 113.67 3g4s n THR 38 Ca 0.14 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 62.01 3g4s n THR 38 Cb 0.39 -0.34 -0.14 0.00 -1.82 0.00 0.00 70.33 68.42 3g4s n THR 38 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3g4s n ASP 39 N 0.00 1.03 -0.07 8.00 9.92 -1.26 -3.30 116.55 130.86 3g4s n ASP 39 Ca 0.00 -0.06 -0.15 0.00 -0.53 0.00 0.00 54.79 54.05 3g4s n ASP 39 Cb 0.00 0.25 -0.04 0.00 -0.64 0.00 0.00 41.12 40.69 3g4s n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3g4s h ALA 40 N 0.49 0.46 0.00 2.24 0.00 -1.98 -3.02 119.26 117.44 3g4s h ALA 40 Ca -0.56 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 53.83 3g4s h ALA 40 Cb 2.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.79 3g4s h ALA 40 CO -0.03 0.68 -0.16 1.88 0.00 0.00 0.00 179.25 181.62 3g4s h TYR 41 N 0.66 0.00 -0.23 0.00 0.99 -1.87 -3.28 116.97 113.24 3g4s h TYR 41 Ca 0.01 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.57 3g4s h TYR 41 Cb 1.18 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.91 3g4s h TYR 41 CO 0.07 0.00 -0.51 -0.09 -0.00 0.00 0.00 178.16 177.63 3g4s h ARG 42 N 0.00 0.75 0.00 4.88 2.43 -1.53 -3.14 114.38 117.78 3g4s h ARG 42 Ca 0.00 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3g4s h ARG 42 Cb 0.99 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3g4s h ARG 42 CO 0.00 1.13 0.00 0.41 -1.51 0.00 0.00 179.97 180.00 3g4s n GLY 43 N 0.44 -1.62 0.14 2.80 0.00 -1.15 -3.20 105.19 102.60 3g4s n GLY 43 Ca -0.05 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 3g4s n GLY 43 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3g4s h MET 44 N 0.00 0.44 0.00 1.61 2.86 -1.61 -3.18 114.93 115.05 3g4s h MET 44 Ca 0.00 -0.75 -0.04 0.00 -2.06 0.00 0.00 59.70 56.85 3g4s h MET 44 Cb 0.66 0.28 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 3g4s h MET 44 CO 0.00 1.36 -0.17 -0.39 1.06 0.00 0.00 176.91 178.77 3g4s h VAL 45 N -0.04 0.41 0.05 -2.22 -1.51 -1.58 -2.93 116.25 108.43 3g4s h VAL 45 Ca -0.24 -1.00 -0.24 0.00 -1.23 0.00 0.00 66.70 63.99 3g4s h VAL 45 Cb 1.98 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 32.88 3g4s h VAL 45 CO 0.22 0.17 -1.05 0.00 -1.23 0.00 0.00 177.57 175.68 3g4s h ALA 46 N 1.83 0.28 0.00 5.19 0.00 -1.64 -1.78 119.26 123.14 3g4s h ALA 46 Ca -0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 54.91 54.10 3g4s h ALA 46 Cb 0.72 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3g4s h ALA 46 CO 0.02 0.87 -0.16 -0.22 0.00 0.00 0.00 179.25 179.76 3g4s h LYS 47 N 0.17 0.00 -0.01 0.00 3.64 -1.50 -2.92 116.57 115.94 3g4s h LYS 47 Ca -0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3g4s h LYS 47 Cb 1.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.53 3g4s h LYS 47 CO 0.18 0.16 -0.45 0.28 -2.27 0.00 0.00 179.45 177.35 3g4s n VAL 48 N -3.24 0.00 -0.28 2.00 0.31 -1.12 -4.73 118.33 111.28 3g4s n VAL 48 Ca 0.01 -0.25 -0.04 0.00 -0.01 0.00 0.00 64.34 64.05 3g4s n VAL 48 Cb 0.45 1.16 -0.02 0.00 -0.91 0.00 0.00 33.84 34.52 3g4s n VAL 48 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3g4s n ASN 49 N -0.08 -0.60 0.00 4.52 2.85 -0.68 -1.08 115.26 120.20 3g4s n ASN 49 Ca 0.10 1.22 0.09 0.00 -0.11 0.00 0.00 54.58 55.87 3g4s n ASN 49 Cb 0.46 -0.21 0.40 0.00 1.24 0.00 0.00 39.78 41.67 3g4s n ASN 49 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 3g4s n ASP 50 N -4.93 0.00 -0.17 1.20 8.00 -1.26 -3.00 116.55 116.39 3g4s n ASP 50 Ca 0.04 0.49 0.02 0.00 0.71 0.00 0.00 54.79 56.05 3g4s n ASP 50 Cb 0.22 -0.50 0.02 0.00 -0.02 0.00 0.00 41.12 40.85 3g4s n ASP 50 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3g4s n PHE 51 N -1.50 0.04 -3.63 1.24 3.01 -0.24 -4.91 117.46 111.47 3g4s n PHE 51 Ca 0.05 -0.12 0.00 0.00 1.01 0.00 0.00 57.45 58.38 3g4s n PHE 51 Cb 0.22 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 3g4s n PHE 51 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 3g4s n VAL 52 N 0.12 0.00 -3.65 -4.37 3.14 -1.01 -1.68 118.33 110.87 3g4s n VAL 52 Ca 0.03 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.35 3g4s n VAL 52 Cb 0.15 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 32.86 3g4s n VAL 52 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3g4s s ALA 53 N -2.00 -1.77 0.25 1.55 0.00 -0.88 -2.99 121.76 115.91 3g4s s ALA 53 Ca 0.00 2.22 -0.04 0.00 0.00 0.00 0.00 51.96 54.14 3g4s s ALA 53 Cb 0.00 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 3g4s s ALA 53 CO 0.00 -0.56 0.30 -0.59 0.00 0.00 0.00 175.76 174.91 3g4s s PHE 54 N 2.07 0.99 0.00 0.00 -0.12 -1.15 -1.49 117.98 118.29 3g4s s PHE 54 Ca -0.08 -1.22 0.00 0.00 -0.05 0.00 0.00 56.93 55.58 3g4s s PHE 54 Cb -0.08 -0.29 0.00 0.00 -0.63 0.00 0.00 43.02 42.02 3g4s s PHE 54 CO -0.18 -0.85 0.00 0.41 -0.05 0.00 0.00 175.22 174.55 3g4s n GLY 55 N -0.39 2.48 3.66 1.99 0.00 -1.25 0.93 105.19 112.60 3g4s n GLY 55 Ca 0.01 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 3g4s n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3g4s s GLU 56 N -2.03 4.25 0.74 1.61 2.12 -1.26 -1.01 118.70 123.12 3g4s s GLU 56 Ca 0.00 0.92 -0.12 0.00 0.36 0.00 0.00 54.97 56.13 3g4s s GLU 56 Cb 0.00 -3.60 0.04 0.00 0.26 0.00 0.00 34.13 30.83 3g4s s GLU 56 CO 0.00 -0.37 1.12 -1.25 -0.54 0.00 0.00 175.26 174.22 3g4s s PRO 57 N 2.31 2.55 0.26 4.30 0.04 -1.26 -4.45 135.00 138.75 3g4s s PRO 57 Ca 0.35 0.37 -0.12 0.00 0.04 0.00 0.00 61.00 61.64 3g4s s PRO 57 Cb -0.16 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 3g4s s PRO 57 CO 0.11 -1.23 0.63 -1.54 0.04 0.00 0.00 177.00 175.00 3g4s s SER 58 N -4.39 6.71 0.50 6.66 1.04 -1.26 -4.93 113.70 118.02 3g4s s SER 58 Ca 0.59 1.09 0.25 0.00 0.48 0.00 0.00 55.95 58.36 3g4s s SER 58 Cb -0.11 -2.29 1.33 0.00 0.10 0.00 0.00 66.02 65.04 3g4s s SER 58 CO 0.51 -0.12 1.93 -0.61 0.98 0.00 0.00 173.24 175.94 3g4s h GLN 59 N 2.49 0.11 0.54 4.02 5.75 -1.97 -0.93 115.11 125.11 3g4s h GLN 59 Ca -0.47 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 57.99 3g4s h GLN 59 Cb 1.17 -0.03 0.01 0.00 1.07 0.00 0.00 27.48 29.70 3g4s h GLN 59 CO 0.67 0.07 -0.26 0.93 -2.65 0.00 0.00 178.83 177.60 3g4s h GLU 60 N 0.12 -0.69 -0.24 1.69 5.08 -2.00 -3.11 114.58 115.42 3g4s h GLU 60 Ca 0.35 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.75 3g4s h GLU 60 Cb 1.21 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 3g4s h GLU 60 CO -0.04 -0.39 0.11 1.15 -1.00 0.00 0.00 179.01 178.84 3g4s h THR 61 N -1.03 1.15 -0.72 1.13 2.02 -1.77 -2.68 112.91 111.01 3g4s h THR 61 Ca -0.07 -0.44 0.08 0.00 0.77 0.00 0.00 66.41 66.74 3g4s h THR 61 Cb 0.62 1.01 -0.05 0.00 -1.74 0.00 0.00 68.15 68.00 3g4s h THR 61 CO 0.12 0.15 0.47 0.25 0.37 0.00 0.00 175.52 176.88 3g4s h LEU 62 N 0.24 0.60 -0.78 2.58 5.85 -1.32 -0.30 115.31 122.18 3g4s h LEU 62 Ca 0.08 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 3g4s h LEU 62 Cb 0.14 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3g4s h LEU 62 CO -0.01 0.38 -0.17 -0.33 -0.34 0.00 0.00 178.44 177.97 3g4s h GLU 63 N 0.68 0.74 -0.17 1.25 5.08 -1.42 -0.68 114.58 120.05 3g4s h GLU 63 Ca 0.32 -0.27 -0.20 0.00 -1.00 0.00 0.00 59.36 58.22 3g4s h GLU 63 Cb 0.37 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3g4s h GLU 63 CO -0.11 0.86 -0.68 1.15 -1.00 0.00 0.00 179.01 179.24 3g4s h THR 64 N 0.66 1.31 0.64 1.13 2.02 -0.80 -2.92 112.91 114.94 3g4s h THR 64 Ca 0.10 -1.92 -0.03 0.00 0.77 0.00 0.00 66.41 65.33 3g4s h THR 64 Cb 0.65 1.89 0.01 0.00 -1.74 0.00 0.00 68.15 68.96 3g4s h THR 64 CO 0.05 0.60 -0.31 0.58 0.37 0.00 0.00 175.52 176.82 3g4s h VAL 65 N 0.49 0.17 -1.02 3.16 2.07 -0.88 -3.06 116.25 117.19 3g4s h VAL 65 Ca -0.02 -0.33 0.24 0.00 0.82 0.00 0.00 66.70 67.41 3g4s h VAL 65 Cb 1.27 0.23 -0.10 0.00 -1.52 0.00 0.00 31.29 31.17 3g4s h VAL 65 CO 0.13 0.02 0.64 -0.07 0.02 0.00 0.00 177.57 178.31 3g4s h LEU 66 N -1.13 0.55 -0.31 2.57 3.38 -1.21 0.49 115.31 119.66 3g4s h LEU 66 Ca -0.09 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3g4s h LEU 66 Cb 0.69 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3g4s h LEU 66 CO 0.14 0.13 0.14 0.00 0.09 0.00 0.00 178.44 178.94 3g4s h ALA 67 N 1.65 0.39 0.00 1.53 0.00 -1.50 -2.47 119.26 118.86 3g4s h ALA 67 Ca 0.60 -0.10 -0.29 0.00 0.00 0.00 0.00 54.91 55.11 3g4s h ALA 67 Cb 1.32 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 3g4s h ALA 67 CO -0.34 -0.04 -1.92 -2.37 0.00 0.00 0.00 179.25 174.58 3g4s n THR 68 N -4.76 1.43 0.37 0.00 5.66 -0.42 -4.31 114.28 112.24 3g4s n THR 68 Ca -0.02 -0.80 0.05 0.00 -3.05 0.00 0.00 64.05 60.23 3g4s n THR 68 Cb 0.11 -0.77 -0.06 0.00 -1.55 0.00 0.00 70.33 68.06 3g4s n THR 68 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3g4s n ARG 69 N -2.90 2.93 -2.78 1.09 5.12 0.16 -5.02 116.66 115.26 3g4s n ARG 69 Ca -0.21 -0.02 -0.35 0.00 -1.93 0.00 0.00 57.85 55.34 3g4s n ARG 69 Cb 1.05 -1.04 -0.07 0.00 -1.16 0.00 0.00 32.46 31.25 3g4s n ARG 69 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3g4s s ALA 70 N -2.12 3.11 0.14 7.54 0.00 -0.93 -4.09 121.76 125.41 3g4s s ALA 70 Ca 0.02 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.47 3g4s s ALA 70 Cb 0.07 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 3g4s s ALA 70 CO 0.42 0.12 -0.02 -1.21 0.00 0.00 0.00 175.76 175.07 3g4s s GLU 71 N -2.65 0.99 1.01 0.00 2.02 -1.26 -4.28 118.70 114.52 3g4s s GLU 71 Ca 0.57 -1.45 -0.17 0.00 0.02 0.00 0.00 54.97 53.94 3g4s s GLU 71 Cb -0.14 -0.20 0.25 0.00 0.10 0.00 0.00 34.13 34.15 3g4s s GLU 71 CO 0.19 -0.10 0.85 -2.30 0.02 0.00 0.00 175.26 173.91 3g4s n PRO 72 N -0.15 -2.94 0.06 0.39 -0.02 -1.26 -2.08 135.00 129.00 3g4s n PRO 72 Ca -0.09 -1.36 -0.06 0.00 -2.02 0.00 0.00 63.50 59.98 3g4s n PRO 72 Cb 0.62 -1.33 0.13 0.00 -0.02 0.00 0.00 33.50 32.90 3g4s n PRO 72 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3g4s h LEU 73 N 0.00 0.39 -7.28 2.45 5.85 -1.16 -3.00 115.31 112.55 3g4s h LEU 73 Ca -0.33 -0.20 -0.25 0.00 0.84 0.00 0.00 57.88 57.95 3g4s h LEU 73 Cb 1.01 -0.11 -0.33 0.00 0.37 0.00 0.00 40.66 41.59 3g4s h LEU 73 CO 0.21 0.83 -0.58 -1.61 -0.34 0.00 0.00 178.44 176.95 3g4s s GLU 74 N -3.98 0.10 0.00 1.25 2.02 -1.26 -4.79 118.70 112.04 3g4s s GLU 74 Ca -0.05 0.58 0.00 0.00 0.02 0.00 0.00 54.97 55.52 3g4s s GLU 74 Cb 0.12 -0.17 0.00 0.00 0.10 0.00 0.00 34.13 34.18 3g4s s GLU 74 CO 0.80 -0.26 0.00 0.41 0.02 0.00 0.00 175.26 176.24 3g4s n GLY 75 N 4.99 3.91 0.00 -1.39 0.00 -1.26 -4.97 105.19 106.47 3g4s n GLY 75 Ca -0.12 -1.48 0.09 0.00 0.00 0.00 0.00 46.02 44.51 3g4s n GLY 75 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3g4s n ASP 76 N 0.00 0.83 -4.51 1.61 -0.08 -1.26 -4.48 116.55 108.67 3g4s n ASP 76 Ca 0.00 -0.40 -0.34 0.00 -1.51 0.00 0.00 54.79 52.53 3g4s n ASP 76 Cb 0.00 1.47 0.10 0.00 2.34 0.00 0.00 41.12 45.03 3g4s n ASP 76 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3g4s n ALA 77 N -1.82 -1.50 -1.80 -1.67 0.00 -1.26 -5.00 120.51 107.46 3g4s n ALA 77 Ca -0.00 -0.40 -0.35 0.00 0.00 0.00 0.00 53.44 52.69 3g4s n ALA 77 Cb 0.39 -1.94 -0.05 0.00 0.00 0.00 0.00 19.45 17.84 3g4s n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3g4s s ASP 78 N -1.85 6.80 -0.53 0.00 1.01 -1.26 -4.55 116.67 116.29 3g4s s ASP 78 Ca 0.64 1.87 -0.03 0.00 0.71 0.00 0.00 52.55 55.74 3g4s s ASP 78 Cb -0.28 -2.56 0.14 0.00 1.01 0.00 0.00 42.92 41.22 3g4s s ASP 78 CO 0.59 -0.46 0.34 -0.69 0.21 0.00 0.00 175.17 175.17 3g4s s VAL 79 N -1.90 3.56 0.54 -1.27 1.01 -1.26 -4.86 120.40 116.22 3g4s s VAL 79 Ca 0.60 -2.55 0.05 0.00 0.00 0.00 0.00 61.98 60.08 3g4s s VAL 79 Cb -0.16 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 32.88 3g4s s VAL 79 CO 0.20 -0.80 0.33 1.51 0.00 0.00 0.00 175.10 176.35 3g4s s ASP 80 N 1.22 4.55 0.27 3.32 1.47 -1.26 -4.39 116.67 121.85 3g4s s ASP 80 Ca 0.13 -1.31 -0.00 0.00 1.18 0.00 0.00 52.55 52.55 3g4s s ASP 80 Cb -0.21 0.43 0.52 0.00 -0.34 0.00 0.00 42.92 43.31 3g4s s ASP 80 CO -0.04 -1.06 1.83 0.44 0.68 0.00 0.00 175.17 177.03 3g4s h ASP 81 N 0.85 0.89 -0.09 2.11 3.32 -1.95 -0.40 116.42 121.15 3g4s h ASP 81 Ca -0.38 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.63 3g4s h ASP 81 Cb 1.30 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 3g4s h ASP 81 CO 0.60 0.48 -0.21 -0.08 -1.72 0.00 0.00 179.24 178.31 3g4s h GLU 82 N 0.97 0.51 0.18 3.56 4.81 -1.96 -0.80 114.58 121.84 3g4s h GLU 82 Ca 0.48 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 3g4s h GLU 82 Cb 0.45 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.79 3g4s h GLU 82 CO -0.26 0.69 -0.09 2.35 -0.73 0.00 0.00 179.01 180.98 3g4s h TRP 83 N 0.45 -0.23 -0.31 0.92 7.01 -1.51 -3.17 115.95 119.13 3g4s h TRP 83 Ca 0.07 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.14 3g4s h TRP 83 Cb 0.62 0.07 -0.08 0.00 -2.10 0.00 0.00 29.16 27.68 3g4s h TRP 83 CO 0.02 0.17 -0.29 0.28 -2.79 0.00 0.00 178.44 175.83 3g4s h VAL 84 N -0.71 0.30 -1.00 2.65 2.07 -0.97 -2.38 116.25 116.21 3g4s h VAL 84 Ca -0.02 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.74 3g4s h VAL 84 Cb 0.50 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.48 3g4s h VAL 84 CO 0.04 0.00 0.65 0.00 0.02 0.00 0.00 177.57 178.28 3g4s h ALA 85 N 0.74 2.23 0.00 1.67 0.00 -1.20 -2.04 119.26 120.66 3g4s h ALA 85 Ca 0.15 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3g4s h ALA 85 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3g4s h ALA 85 CO -0.46 -0.59 -0.84 0.39 0.00 0.00 0.00 179.25 177.75 3g4s n GLU 86 N -4.57 0.15 -0.00 0.00 1.02 -0.90 -4.61 120.64 111.72 3g4s n GLU 86 Ca 0.23 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.37 3g4s n GLU 86 Cb 0.81 -1.55 -0.00 0.00 -0.02 0.00 0.00 31.44 30.68 3g4s n GLU 86 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3g4s n HIS 87 N -1.74 0.00 -1.45 -0.32 8.25 -1.08 -5.08 115.22 113.79 3g4s n HIS 87 Ca 0.03 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.19 3g4s n HIS 87 Cb 0.39 -0.01 0.24 0.00 1.12 0.00 0.00 29.99 31.72 3g4s n HIS 87 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3g4s s THR 88 N -2.01 1.72 -1.12 1.59 2.01 -0.79 -4.93 115.64 112.11 3g4s s THR 88 Ca -0.00 0.00 0.18 0.00 0.31 0.00 0.00 61.69 62.18 3g4s s THR 88 Cb 0.00 -2.72 0.69 0.00 0.01 0.00 0.00 72.50 70.48 3g4s s THR 88 CO 0.01 0.00 1.60 0.47 -0.69 0.00 0.00 174.62 176.00 3g4s n ASP 89 N -4.45 4.59 -4.55 3.53 8.00 -1.26 -4.89 116.55 117.51 3g4s n ASP 89 Ca 0.16 -2.42 -0.26 0.00 0.71 0.00 0.00 54.79 52.98 3g4s n ASP 89 Cb 0.60 -0.55 -0.10 0.00 -0.02 0.00 0.00 41.12 41.04 3g4s n ASP 89 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3g4s s TYR 90 N -1.80 2.41 -0.00 1.24 1.51 -1.26 -5.08 117.35 114.37 3g4s s TYR 90 Ca 0.49 -0.49 -0.11 0.00 -1.01 0.00 0.00 57.07 55.95 3g4s s TYR 90 Cb 0.31 -1.39 -0.32 0.00 -0.11 0.00 0.00 41.96 40.46 3g4s s TYR 90 CO 0.24 0.58 0.85 -0.44 -1.11 0.00 0.00 175.55 175.67 3g4s h ASP 91 N 2.01 0.66 -2.08 2.29 3.32 -1.90 -3.34 116.42 117.36 3g4s h ASP 91 Ca -0.42 -0.83 -0.04 0.00 0.02 0.00 0.00 57.03 55.75 3g4s h ASP 91 Cb 1.25 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 3g4s h ASP 91 CO 0.70 1.68 -0.04 -0.90 -1.72 0.00 0.00 179.24 178.96 3g4s n ASP 92 N -3.61 -0.13 -0.09 6.45 5.75 -1.26 -4.26 116.55 119.40 3g4s n ASP 92 Ca -0.19 -1.24 -0.05 0.00 -0.01 0.00 0.00 54.79 53.29 3g4s n ASP 92 Cb 1.08 0.26 0.15 0.00 -1.03 0.00 0.00 41.12 41.58 3g4s n ASP 92 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3g4s h ILE 93 N 1.13 1.25 -0.58 2.12 2.04 -1.89 -3.21 117.51 118.36 3g4s h ILE 93 Ca -0.03 -1.09 -0.02 0.00 1.00 0.00 0.00 64.86 64.72 3g4s h ILE 93 Cb 0.14 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 3g4s h ILE 93 CO 0.04 0.37 0.27 0.28 0.00 0.00 0.00 178.15 179.11 3g4s h SER 94 N 0.69 0.74 1.11 1.72 0.02 -1.97 -0.37 113.55 115.49 3g4s h SER 94 Ca 0.13 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3g4s h SER 94 Cb 0.52 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 3g4s h SER 94 CO 0.03 0.64 -0.02 1.23 -1.14 0.00 0.00 176.83 177.58 3g4s h GLY 95 N 0.92 0.00 0.00 -3.77 0.00 -1.97 0.17 103.07 98.42 3g4s h GLY 95 Ca 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.47 3g4s h GLY 95 CO -0.02 0.00 -0.35 -2.00 0.00 0.00 0.00 176.54 174.16 3g4s h LEU 96 N 0.00 0.00 -1.39 3.11 5.85 -1.49 -3.04 115.31 118.34 3g4s h LEU 96 Ca -0.00 -0.66 0.12 0.00 0.84 0.00 0.00 57.88 58.18 3g4s h LEU 96 Cb 0.58 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 3g4s h LEU 96 CO 0.00 1.04 0.52 0.00 -0.34 0.00 0.00 178.44 179.66 3g4s h ALA 97 N -0.34 1.87 -0.05 1.25 0.00 -0.82 -0.03 119.26 121.14 3g4s h ALA 97 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3g4s h ALA 97 Cb 0.90 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.57 3g4s h ALA 97 CO -0.05 -0.06 -0.36 0.35 0.00 0.00 0.00 179.25 179.13 3g4s h PHE 98 N 0.64 0.45 -0.24 0.00 3.57 -0.81 -2.84 116.94 117.71 3g4s h PHE 98 Ca 0.38 -0.21 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3g4s h PHE 98 Cb 0.61 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 3g4s h PHE 98 CO -0.00 0.97 -0.01 0.00 -2.23 0.00 0.00 178.31 177.04 3g4s h ALA 99 N 0.38 1.53 -0.38 2.41 0.00 -1.22 -0.20 119.26 121.79 3g4s h ALA 99 Ca -0.03 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 3g4s h ALA 99 Cb 1.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3g4s h ALA 99 CO 0.07 0.34 -0.39 -0.07 0.00 0.00 0.00 179.25 179.20 3g4s h LEU 100 N 0.36 0.99 -0.30 0.00 3.38 -1.08 -0.39 115.31 118.27 3g4s h LEU 100 Ca 0.08 -0.45 -0.20 0.00 0.09 0.00 0.00 57.88 57.39 3g4s h LEU 100 Cb 0.26 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3g4s h LEU 100 CO 0.01 1.25 -0.76 -0.07 0.09 0.00 0.00 178.44 178.96 3g4s h LEU 101 N 0.75 0.66 -0.01 1.67 3.38 -1.19 -3.05 115.31 117.52 3g4s h LEU 101 Ca 0.06 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3g4s h LEU 101 Cb 0.98 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3g4s h LEU 101 CO 0.10 1.20 -0.04 -1.54 0.09 0.00 0.00 178.44 178.25 3g4s n SER 102 N -3.87 0.06 -2.76 -0.43 3.41 -0.13 -4.16 113.62 105.75 3g4s n SER 102 Ca -0.06 0.26 -0.11 0.00 -0.26 0.00 0.00 58.87 58.70 3g4s n SER 102 Cb 0.73 -0.38 0.06 0.00 -0.26 0.00 0.00 64.21 64.36 3g4s n SER 102 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3g4s n GLU 103 N -1.43 -3.00 -0.11 4.33 1.02 -0.74 -5.00 120.64 115.72 3g4s n GLU 103 Ca 0.09 0.62 -0.15 0.00 -0.02 0.00 0.00 57.16 57.70 3g4s n GLU 103 Cb 0.32 -4.76 -0.10 0.00 -0.02 0.00 0.00 31.44 26.87 3g4s n GLU 103 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3g4s n GLU 104 N -2.97 0.56 -4.04 3.49 4.07 -0.23 -5.05 120.64 116.47 3g4s n GLU 104 Ca -0.12 0.12 -0.09 0.00 -0.06 0.00 0.00 57.16 57.02 3g4s n GLU 104 Cb 0.60 -1.44 -0.09 0.00 -0.06 0.00 0.00 31.44 30.46 3g4s n GLU 104 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 3g4s s THR 105 N -2.43 0.14 0.48 6.31 -1.32 -1.24 -5.08 115.64 112.49 3g4s s THR 105 Ca -0.29 -1.64 0.05 0.00 -1.21 0.00 0.00 61.69 58.61 3g4s s THR 105 Cb 0.07 -1.71 -0.01 0.00 -1.51 0.00 0.00 72.50 69.34 3g4s s THR 105 CO 0.51 -0.62 0.20 0.42 -2.21 0.00 0.00 174.62 172.92 3g4s s THR 106 N -3.96 1.82 0.29 5.08 -4.23 -1.26 -4.32 115.64 109.06 3g4s s THR 106 Ca 0.14 -1.71 0.05 0.00 -1.18 0.00 0.00 61.69 58.99 3g4s s THR 106 Cb 0.06 -2.53 0.04 0.00 1.34 0.00 0.00 72.50 71.42 3g4s s THR 106 CO -0.04 0.00 1.70 -0.07 -0.54 0.00 0.00 174.62 175.66 3g4s h LEU 107 N 1.20 0.33 -0.06 4.79 3.38 -1.92 -3.07 115.31 119.96 3g4s h LEU 107 Ca -0.41 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 3g4s h LEU 107 Cb 1.28 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 3g4s h LEU 107 CO 0.67 0.68 0.02 0.03 0.09 0.00 0.00 178.44 179.93 3g4s h ARG 108 N 0.27 0.09 -0.10 1.13 3.08 -1.87 0.20 114.38 117.18 3g4s h ARG 108 Ca 0.03 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.09 3g4s h ARG 108 Cb 0.79 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 3g4s h ARG 108 CO 0.06 0.28 0.18 0.93 -1.07 0.00 0.00 179.97 180.36 3g4s h GLU 109 N -0.11 0.00 -0.45 0.04 5.08 -1.85 -0.92 114.58 116.37 3g4s h GLU 109 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3g4s h GLU 109 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3g4s h GLU 109 CO -0.00 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.05 3g4s n GLN 110 N -3.44 3.14 -1.17 2.33 1.13 -1.10 -4.97 117.38 113.31 3g4s n GLN 110 Ca -0.00 -2.54 -0.05 0.00 -1.94 0.00 0.00 57.00 52.47 3g4s n GLN 110 Cb 0.28 -1.61 -0.02 0.00 0.11 0.00 0.00 30.24 28.99 3g4s n GLN 110 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3g4s n GLY 111 N 0.57 0.74 3.63 1.08 0.00 -0.35 -4.41 105.19 106.45 3g4s n GLY 111 Ca 0.19 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 3g4s n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g4s s LEU 112 N -1.13 3.23 0.30 0.99 1.43 0.68 -0.71 118.68 123.47 3g4s s LEU 112 Ca 0.00 -0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 52.51 3g4s s LEU 112 Cb 0.00 -2.00 -0.10 0.00 0.03 0.00 0.00 46.19 44.12 3g4s s LEU 112 CO 0.00 0.18 1.37 -0.55 0.23 0.00 0.00 176.35 177.58 3g4s s SER 113 N -2.26 6.70 0.00 2.29 0.15 -0.88 -3.17 113.70 116.53 3g4s s SER 113 Ca 0.23 2.70 0.08 0.00 0.70 0.00 0.00 55.95 59.66 3g4s s SER 113 Cb -0.11 -2.64 0.46 0.00 -1.71 0.00 0.00 66.02 62.02 3g4s s SER 113 CO 0.16 -0.63 0.92 -2.65 1.20 0.00 0.00 173.24 172.24 3g4s n PRO 114 N 1.46 0.51 -4.70 5.44 -0.02 -1.26 -4.62 135.00 131.81 3g4s n PRO 114 Ca 0.03 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.21 3g4s n PRO 114 Cb 0.41 -1.24 -0.17 0.00 -0.02 0.00 0.00 33.50 32.49 3g4s n PRO 114 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3g4s s THR 115 N -2.00 1.80 -0.61 3.45 2.01 -1.26 -4.42 115.64 114.61 3g4s s THR 115 Ca 0.12 -0.83 -0.11 0.00 0.31 0.00 0.00 61.69 61.17 3g4s s THR 115 Cb 0.05 -1.60 0.16 0.00 0.01 0.00 0.00 72.50 71.12 3g4s s THR 115 CO 0.09 0.50 0.51 -0.76 -0.69 0.00 0.00 174.62 174.27 3g4s s LEU 116 N 0.77 6.02 -0.78 4.42 1.43 0.13 -4.71 118.68 125.96 3g4s s LEU 116 Ca -0.10 -2.27 -0.26 0.00 -1.03 0.00 0.00 54.13 50.48 3g4s s LEU 116 Cb -0.16 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 3g4s s LEU 116 CO 0.01 -0.64 1.70 -0.13 0.23 0.00 0.00 176.35 177.52 3g4s s ARG 117 N 0.83 2.87 0.46 1.70 0.52 -1.26 -1.19 118.95 122.88 3g4s s ARG 117 Ca 0.10 -0.07 -0.13 0.00 -0.52 0.00 0.00 55.73 55.12 3g4s s ARG 117 Cb -0.21 -4.67 -0.07 0.00 0.52 0.00 0.00 34.95 30.52 3g4s s ARG 117 CO -0.03 -2.71 0.87 -0.51 0.02 0.00 0.00 175.30 172.94 3g4s s LEU 118 N 8.06 3.72 0.27 2.53 1.43 -0.72 -4.95 118.68 129.03 3g4s s LEU 118 Ca 0.58 1.31 -0.22 0.00 -1.03 0.00 0.00 54.13 54.78 3g4s s LEU 118 Cb -0.08 -4.23 -0.09 0.00 0.03 0.00 0.00 46.19 41.82 3g4s s LEU 118 CO 0.09 -0.49 0.82 -2.28 0.23 0.00 0.00 176.35 174.71 3g4s s HIS 119 N -2.51 3.64 0.26 0.29 5.65 -1.23 -4.77 115.29 116.62 3g4s s HIS 119 Ca 0.54 1.53 -0.30 0.00 0.25 0.00 0.00 55.06 57.08 3g4s s HIS 119 Cb -0.10 -2.74 -0.13 0.00 -1.18 0.00 0.00 32.58 28.43 3g4s s HIS 119 CO 0.32 0.26 1.36 -2.30 -0.65 0.00 0.00 174.74 173.74 3g4s n PRO 120 N 0.55 2.02 -1.61 2.88 -0.02 -1.26 -4.38 135.00 133.18 3g4s n PRO 120 Ca -0.00 0.72 -0.62 0.00 -2.02 0.00 0.00 63.50 61.57 3g4s n PRO 120 Cb 0.51 -2.34 -0.09 0.00 -0.02 0.00 0.00 33.50 31.56 3g4s n PRO 120 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3g4s n PRO 121 N 1.66 0.08 -2.66 0.52 -0.04 -1.26 -4.78 135.00 128.52 3g4s n PRO 121 Ca 0.10 0.03 -0.42 0.00 -0.04 0.00 0.00 63.50 63.17 3g4s n PRO 121 Cb 0.32 -1.54 -0.03 0.00 -0.04 0.00 0.00 33.50 32.21 3g4s n PRO 121 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3g4s s ARG 122 N 1.37 3.40 0.00 0.54 0.52 -0.11 -1.99 118.95 122.67 3g4s s ARG 122 Ca 0.97 -0.02 0.00 0.00 -0.52 0.00 0.00 55.73 56.16 3g4s s ARG 122 Cb -1.35 -4.06 0.00 0.00 0.52 0.00 0.00 34.95 30.06 3g4s s ARG 122 CO 0.67 -1.71 0.00 0.41 0.02 0.00 0.00 175.30 174.69 3g4s n GLY 123 N 5.14 0.88 0.02 -3.53 0.00 -1.26 -4.93 105.19 101.50 3g4s n GLY 123 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3g4s n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g4s n GLY 124 N -0.79 -2.77 1.78 -0.02 0.00 -0.84 -5.03 105.19 97.52 3g4s n GLY 124 Ca 0.00 -1.33 -0.14 0.00 0.00 0.00 0.00 46.02 44.56 3g4s n GLY 124 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3g4s n HIS 125 N -1.62 -3.86 1.32 1.61 1.44 -1.26 -4.98 115.22 107.86 3g4s n HIS 125 Ca -0.00 -0.53 0.13 0.00 -2.01 0.00 0.00 57.72 55.31 3g4s n HIS 125 Cb 0.01 -0.50 0.42 0.00 0.12 0.00 0.00 29.99 30.04 3g4s n HIS 125 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3g4s n ASP 126 N -3.52 1.17 0.00 4.39 8.00 -1.26 -5.01 116.55 120.32 3g4s n ASP 126 Ca 0.08 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.51 3g4s n ASP 126 Cb 0.27 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 3g4s n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g4s n GLY 127 N 1.29 3.66 0.12 0.44 0.00 -1.26 -4.25 105.19 105.19 3g4s n GLY 127 Ca 0.14 -1.01 0.04 0.00 0.00 0.00 0.00 46.02 45.19 3g4s n GLY 127 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3g4s n VAL 128 N 0.00 0.07 -0.11 1.61 0.24 -1.26 -0.83 118.33 118.06 3g4s n VAL 128 Ca 0.00 -0.08 -0.14 0.00 -2.04 0.00 0.00 64.34 62.08 3g4s n VAL 128 Cb 0.00 -0.03 -0.11 0.00 -1.47 0.00 0.00 33.84 32.23 3g4s n VAL 128 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3g4s n LYS 129 N -0.39 0.71 -4.20 7.34 5.02 -1.26 -4.91 118.16 120.47 3g4s n LYS 129 Ca 0.07 0.09 -0.27 0.00 -2.02 0.00 0.00 58.31 56.18 3g4s n LYS 129 Cb 0.08 -1.45 -0.08 0.00 -0.02 0.00 0.00 35.03 33.56 3g4s n LYS 129 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3g4s s HIS 130 N -2.44 2.84 0.04 2.13 3.76 -1.25 -5.04 115.29 115.33 3g4s s HIS 130 Ca -0.25 -0.13 -0.01 0.00 -0.15 0.00 0.00 55.06 54.53 3g4s s HIS 130 Cb 0.07 -1.40 0.01 0.00 1.11 0.00 0.00 32.58 32.37 3g4s s HIS 130 CO 0.57 0.50 0.05 -0.35 -0.85 0.00 0.00 174.74 174.66 3g4s n PRO 131 N 0.05 -0.62 -0.18 8.40 -0.04 -1.26 -1.96 135.00 139.40 3g4s n PRO 131 Ca -0.10 -0.07 -0.09 0.00 -0.04 0.00 0.00 63.50 63.19 3g4s n PRO 131 Cb 0.54 -0.06 0.01 0.00 -0.04 0.00 0.00 33.50 33.95 3g4s n PRO 131 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3g4s h VAL 132 N -1.32 1.25 -0.28 0.52 2.07 -1.63 0.91 116.25 117.77 3g4s h VAL 132 Ca -0.02 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 3g4s h VAL 132 Cb 0.05 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3g4s h VAL 132 CO 0.01 0.34 0.04 0.11 0.02 0.00 0.00 177.57 178.08 3g4s h LYS 133 N 0.71 0.41 -0.57 1.57 1.57 -1.91 -2.34 116.57 116.02 3g4s h LYS 133 Ca 0.15 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3g4s h LYS 133 Cb 0.40 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3g4s h LYS 133 CO 0.01 0.41 0.00 0.39 -0.57 0.00 0.00 179.45 179.69 3g4s n GLU 134 N -4.35 2.63 -1.18 3.15 1.02 -1.16 -4.90 120.64 115.85 3g4s n GLU 134 Ca 0.01 -1.86 0.00 0.00 -0.02 0.00 0.00 57.16 55.29 3g4s n GLU 134 Cb 0.19 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 3g4s n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3g4s n GLY 135 N 0.97 0.48 0.00 0.62 0.00 -0.88 -4.86 105.19 101.52 3g4s n GLY 135 Ca 0.17 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3g4s n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g4s n GLY 136 N -2.30 2.57 0.00 -0.02 0.00 0.31 -4.65 105.19 101.11 3g4s n GLY 136 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.25 3g4s n GLY 136 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3g4s n GLN 137 N 0.00 -0.01 -3.25 1.61 -0.06 -0.01 -4.42 117.38 111.24 3g4s n GLN 137 Ca 0.00 -0.01 -0.39 0.00 -2.00 0.00 0.00 57.00 54.60 3g4s n GLN 137 Cb 0.00 -0.47 -0.06 0.00 -4.06 0.00 0.00 30.24 25.65 3g4s n GLN 137 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3g4s s LEU 138 N -0.00 4.51 0.00 1.69 1.43 -1.19 -4.53 118.68 120.59 3g4s s LEU 138 Ca 0.00 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.37 3g4s s LEU 138 Cb 0.00 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.30 3g4s s LEU 138 CO 0.00 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.43 3g4s n GLY 139 N 1.84 0.10 3.58 -3.19 0.00 -1.16 -2.10 105.19 104.26 3g4s n GLY 139 Ca -0.09 -1.96 -0.48 0.00 0.00 0.00 0.00 46.02 43.49 3g4s n GLY 139 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3g4s n LYS 140 N -0.04 1.74 -2.75 1.61 4.81 -1.26 -2.91 118.16 119.35 3g4s n LYS 140 Ca 0.00 0.55 -0.21 0.00 -0.87 0.00 0.00 58.31 57.78 3g4s n LYS 140 Cb 0.00 -2.75 0.06 0.00 0.02 0.00 0.00 35.03 32.36 3g4s n LYS 140 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 3g4s s HIS 141 N 6.42 2.14 0.56 5.64 3.76 0.26 -4.86 115.29 129.22 3g4s s HIS 141 Ca 1.01 -0.30 -0.09 0.00 -0.15 0.00 0.00 55.06 55.53 3g4s s HIS 141 Cb -0.65 -2.67 -0.04 0.00 1.11 0.00 0.00 32.58 30.33 3g4s s HIS 141 CO 0.46 -1.14 0.93 0.34 -0.85 0.00 0.00 174.74 174.48 3g4s s ASP 142 N -4.56 6.26 0.23 1.40 2.15 -1.26 -4.66 116.67 116.22 3g4s s ASP 142 Ca 0.61 1.22 -0.07 0.00 0.43 0.00 0.00 52.55 54.74 3g4s s ASP 142 Cb -0.08 -2.38 0.27 0.00 -0.30 0.00 0.00 42.92 40.43 3g4s s ASP 142 CO 0.40 -0.74 1.87 0.74 -0.17 0.00 0.00 175.17 177.26 3g4s h THR 143 N -0.06 1.11 -0.05 1.71 2.02 -1.98 0.97 112.91 116.63 3g4s h THR 143 Ca -0.45 -0.35 -0.18 0.00 0.77 0.00 0.00 66.41 66.19 3g4s h THR 143 Cb 1.20 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3g4s h THR 143 CO 0.62 0.19 -0.76 -0.08 0.37 0.00 0.00 175.52 175.85 3g4s h GLU 144 N 1.02 0.33 -0.43 6.66 4.81 -1.93 -3.06 114.58 121.98 3g4s h GLU 144 Ca 0.34 -0.29 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 3g4s h GLU 144 Cb 0.05 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3g4s h GLU 144 CO -0.13 0.95 -0.02 0.78 -0.73 0.00 0.00 179.01 179.86 3g4s h GLY 145 N 1.44 0.75 1.83 1.92 0.00 -1.56 -2.81 103.07 104.64 3g4s h GLY 145 Ca -0.03 -0.49 -0.20 0.00 0.00 0.00 0.00 47.33 46.60 3g4s h GLY 145 CO 0.13 0.46 -0.91 1.19 0.00 0.00 0.00 176.54 177.40 3g4s h ILE 146 N 0.66 1.54 -0.46 2.60 -0.00 -0.88 -3.23 117.51 117.73 3g4s h ILE 146 Ca 0.13 -2.78 -0.06 0.00 -0.00 0.00 0.00 64.86 62.15 3g4s h ILE 146 Cb 0.43 2.56 -0.02 0.00 -0.00 0.00 0.00 36.82 39.79 3g4s h ILE 146 CO 0.02 0.81 0.05 0.44 -0.00 0.00 0.00 178.15 179.46 3g4s h ASP 147 N 0.07 0.68 -0.51 2.19 3.32 -1.40 -1.72 116.42 119.05 3g4s h ASP 147 Ca -0.04 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 3g4s h ASP 147 Cb 1.57 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.92 3g4s h ASP 147 CO 0.14 0.72 0.27 0.44 -1.72 0.00 0.00 179.24 179.09 3g4s h ASP 148 N 0.69 0.64 0.35 6.45 3.32 -1.52 -1.64 116.42 124.71 3g4s h ASP 148 Ca 0.14 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3g4s h ASP 148 Cb 0.36 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3g4s h ASP 148 CO 0.01 0.55 -0.17 0.25 -1.72 0.00 0.00 179.24 178.16 3g4s h LEU 149 N 0.67 -0.40 -2.05 1.55 5.85 -1.56 -0.59 115.31 118.78 3g4s h LEU 149 Ca 0.18 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.80 3g4s h LEU 149 Cb 0.06 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3g4s h LEU 149 CO -0.03 0.01 0.13 -0.07 -0.34 0.00 0.00 178.44 178.15 3g4s h LEU 150 N -0.91 0.00 0.00 2.25 3.38 -1.35 0.18 115.31 118.86 3g4s h LEU 150 Ca -0.05 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 3g4s h LEU 150 Cb 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3g4s h LEU 150 CO 0.08 0.00 -0.92 -0.33 0.09 0.00 0.00 178.44 177.36 3g4s h GLU 151 N 0.00 0.00 0.00 1.13 5.08 -1.27 -3.07 114.58 116.44 3g4s h GLU 151 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3g4s h GLU 151 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3g4s h GLU 151 CO -0.00 0.55 0.00 0.00 -1.00 0.00 0.00 179.01 178.56 3g4s h ALA 152 N 1.35 1.00 -0.85 3.43 0.00 0.68 -3.15 119.26 121.72 3g4s h ALA 152 Ca -0.06 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.27 3g4s h ALA 152 Cb 1.55 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 19.02 3g4s h ALA 152 CO 0.07 0.00 0.19 -1.33 0.00 0.00 0.00 179.25 178.18 3g4s n MET 153 N -2.85 2.90 0.00 0.00 2.81 0.43 -0.93 117.12 119.47 3g4s n MET 153 Ca 0.04 -3.57 0.00 0.00 -1.81 0.00 0.00 57.70 52.37 3g4s n MET 153 Cb 0.49 -2.23 0.00 0.00 -0.71 0.00 0.00 33.22 30.77 3g4s n MET 153 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02