#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6e s HIS 2 N 0.00 3.04 -0.32 1.12 3.76 0.48 -4.29 115.29 119.09 3g6e s HIS 2 Ca 0.00 -0.10 -0.01 0.00 -0.15 0.00 0.00 55.06 54.80 3g6e s HIS 2 Cb 0.00 -1.40 0.07 0.00 1.11 0.00 0.00 32.58 32.36 3g6e s HIS 2 CO 0.00 0.53 0.03 0.00 -0.85 0.00 0.00 174.74 174.45 3g6e s ALA 3 N -2.02 2.86 -0.01 -1.40 0.00 0.11 -0.91 121.76 120.38 3g6e s ALA 3 Ca 0.32 -1.97 -0.20 0.00 0.00 0.00 0.00 51.96 50.11 3g6e s ALA 3 Cb -0.08 -1.99 -0.05 0.00 0.00 0.00 0.00 23.12 21.00 3g6e s ALA 3 CO 0.23 -1.40 0.57 -0.51 0.00 0.00 0.00 175.76 174.66 3g6e s LEU 4 N 1.18 4.41 -0.06 0.00 1.43 -0.36 -3.36 118.68 121.93 3g6e s LEU 4 Ca -0.02 1.12 0.01 0.00 -1.03 0.00 0.00 54.13 54.21 3g6e s LEU 4 Cb -0.20 -2.88 0.02 0.00 0.03 0.00 0.00 46.19 43.16 3g6e s LEU 4 CO -0.03 0.12 -0.05 -0.69 0.23 0.00 0.00 176.35 175.93 3g6e s VAL 5 N -0.22 0.65 -0.01 -1.59 1.01 -0.24 -1.38 120.40 118.62 3g6e s VAL 5 Ca 0.30 -0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 3g6e s VAL 5 Cb -0.18 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 3g6e s VAL 5 CO 0.16 0.26 1.05 -1.58 0.00 0.00 0.00 175.10 175.00 3g6e s GLN 6 N 1.09 4.49 0.00 2.72 0.74 -1.02 -1.34 119.66 126.34 3g6e s GLN 6 Ca -0.08 1.51 0.00 0.00 0.05 0.00 0.00 55.36 56.84 3g6e s GLN 6 Cb -0.14 -3.46 0.00 0.00 1.10 0.00 0.00 33.01 30.51 3g6e s GLN 6 CO -0.01 -0.17 0.00 1.28 -0.55 0.00 0.00 175.29 175.84 3g6e n LEU 7 N 4.19 0.00 -4.22 3.68 4.77 -0.99 -0.74 117.00 123.70 3g6e n LEU 7 Ca 0.07 -0.32 -0.30 0.00 -0.03 0.00 0.00 56.01 55.44 3g6e n LEU 7 Cb 0.49 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.42 3g6e n LEU 7 CO 0.53 0.00 -0.54 -0.13 -1.33 0.00 0.00 177.39 175.92 3g6e s ARG 8 N -1.30 2.40 1.13 3.23 0.52 -1.19 -4.94 118.95 118.81 3g6e s ARG 8 Ca 0.00 -0.81 -0.13 0.00 -0.52 0.00 0.00 55.73 54.27 3g6e s ARG 8 Cb 0.00 -2.00 0.26 0.00 0.52 0.00 0.00 34.95 33.73 3g6e s ARG 8 CO 0.00 0.30 1.05 0.20 0.02 0.00 0.00 175.30 176.87 3g6e s GLY 9 N -0.00 1.54 0.38 -3.53 0.00 -1.26 -4.92 107.32 99.53 3g6e s GLY 9 Ca -0.07 -0.30 0.19 0.00 0.00 0.00 0.00 44.72 44.54 3g6e s GLY 9 CO 0.04 0.41 1.73 1.05 0.00 0.00 0.00 173.10 176.33 3g6e h GLU 10 N -2.44 0.00 -6.57 2.90 4.11 -1.97 -3.42 114.58 107.19 3g6e h GLU 10 Ca -0.59 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.31 3g6e h GLU 10 Cb 1.34 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.62 3g6e h GLU 10 CO 0.52 0.36 0.78 0.08 0.07 0.00 0.00 179.01 180.82 3g6e s VAL 11 N -3.58 3.07 0.00 -1.06 1.01 -1.26 -2.33 120.40 116.25 3g6e s VAL 11 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.75 3g6e s VAL 11 Cb 0.11 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.99 3g6e s VAL 11 CO 0.68 0.06 0.00 0.59 0.00 0.00 0.00 175.10 176.43 3g6e n ASN 12 N 3.93 -1.38 -4.77 3.32 3.02 -1.26 -5.00 115.26 113.13 3g6e n ASN 12 Ca 0.12 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.28 3g6e n ASN 12 Cb 0.41 -1.30 -0.06 0.00 -0.61 0.00 0.00 39.78 38.22 3g6e n ASN 12 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 3g6e s MET 13 N -0.56 4.64 0.39 3.52 1.75 -0.98 -5.00 119.30 123.05 3g6e s MET 13 Ca 0.00 1.28 -0.27 0.00 -1.25 0.00 0.00 55.69 55.45 3g6e s MET 13 Cb 0.00 -3.13 -0.11 0.00 2.84 0.00 0.00 34.83 34.43 3g6e s MET 13 CO 0.00 0.48 1.43 0.72 -0.65 0.00 0.00 175.02 176.99 3g6e n HIS 14 N 1.25 2.75 -0.26 4.11 8.25 -1.26 -4.83 115.22 125.23 3g6e n HIS 14 Ca -0.02 0.47 -0.02 0.00 -0.26 0.00 0.00 57.72 57.88 3g6e n HIS 14 Cb 0.49 -2.49 0.16 0.00 1.12 0.00 0.00 29.99 29.26 3g6e n HIS 14 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3g6e h THR 15 N 2.70 1.23 0.00 1.59 2.02 -1.96 -0.64 112.91 117.85 3g6e h THR 15 Ca -0.50 -0.59 -0.03 0.00 0.77 0.00 0.00 66.41 66.07 3g6e h THR 15 Cb 1.26 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 3g6e h THR 15 CO 0.63 0.26 -0.14 -2.24 0.37 0.00 0.00 175.52 174.40 3g6e h ASP 16 N 1.11 0.00 0.27 4.18 2.03 -1.99 -0.47 116.42 121.55 3g6e h ASP 16 Ca 0.28 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 56.24 3g6e h ASP 16 Cb 0.03 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.55 3g6e h ASP 16 CO -0.04 0.14 -1.60 0.40 -1.03 0.00 0.00 179.24 177.11 3g6e h ILE 17 N 0.00 1.13 -0.31 4.15 2.04 -1.79 -2.95 117.51 119.78 3g6e h ILE 17 Ca -0.00 -2.65 -0.10 0.00 1.00 0.00 0.00 64.86 63.11 3g6e h ILE 17 Cb 0.60 2.89 -0.01 0.00 -0.74 0.00 0.00 36.82 39.56 3g6e h ILE 17 CO 0.02 0.84 -0.22 -0.61 0.00 0.00 0.00 178.15 178.18 3g6e h GLN 18 N 0.12 0.59 0.00 2.37 4.15 -0.80 -2.51 115.11 119.02 3g6e h GLN 18 Ca -0.29 -0.22 -0.10 0.00 0.77 0.00 0.00 58.65 58.81 3g6e h GLN 18 Cb 2.12 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 29.76 3g6e h GLN 18 CO 0.22 0.76 -0.48 -0.44 -1.93 0.00 0.00 178.83 176.96 3g6e h ASP 19 N 0.52 0.00 -0.26 -0.69 3.32 -1.17 -2.12 116.42 116.02 3g6e h ASP 19 Ca 0.08 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.94 3g6e h ASP 19 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3g6e h ASP 19 CO 0.05 0.48 -0.57 0.74 -1.72 0.00 0.00 179.24 178.22 3g6e h THR 20 N 0.00 1.28 -0.18 0.35 2.02 -1.29 -1.87 112.91 113.22 3g6e h THR 20 Ca -0.00 -1.75 -0.07 0.00 0.77 0.00 0.00 66.41 65.36 3g6e h THR 20 Cb 0.87 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 3g6e h THR 20 CO 0.06 0.57 -0.18 -0.07 0.37 0.00 0.00 175.52 176.27 3g6e h LEU 21 N 0.61 0.30 -0.42 2.58 3.38 -1.18 -0.76 115.31 119.82 3g6e h LEU 21 Ca 0.00 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 3g6e h LEU 21 Cb 1.18 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3g6e h LEU 21 CO 0.12 0.50 -0.33 -0.33 0.09 0.00 0.00 178.44 178.50 3g6e h GLU 22 N 0.29 0.00 0.00 1.13 5.08 -1.24 0.23 114.58 120.06 3g6e h GLU 22 Ca 0.05 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 3g6e h GLU 22 Cb 0.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3g6e h GLU 22 CO 0.03 0.33 -0.59 0.52 -1.00 0.00 0.00 179.01 178.30 3g6e h MET 23 N 0.00 0.00 -0.76 2.33 2.86 -0.46 -2.98 114.93 115.92 3g6e h MET 23 Ca -0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3g6e h MET 23 Cb 1.09 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 3g6e h MET 23 CO 0.04 0.54 0.05 1.28 1.06 0.00 0.00 176.91 179.88 3g6e n LEU 24 N -3.22 4.30 -1.97 1.22 4.77 -0.38 -4.90 117.00 116.81 3g6e n LEU 24 Ca 0.01 -2.19 -0.18 0.00 -0.03 0.00 0.00 56.01 53.62 3g6e n LEU 24 Cb 0.76 -0.64 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 3g6e n LEU 24 CO 0.41 0.54 -0.20 0.59 -1.33 0.00 0.00 177.39 177.40 3g6e n ASN 25 N 0.30 -5.00 -4.08 -1.43 3.02 -1.13 -4.83 115.26 102.11 3g6e n ASN 25 Ca 0.21 0.25 -0.33 0.00 -0.03 0.00 0.00 54.58 54.68 3g6e n ASN 25 Cb 0.93 -4.33 -0.14 0.00 -0.61 0.00 0.00 39.78 35.63 3g6e n ASN 25 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3g6e s ILE 26 N -2.71 2.56 -0.03 2.41 2.07 0.04 -4.64 121.20 120.90 3g6e s ILE 26 Ca 0.00 -1.88 0.17 0.00 -1.41 0.00 0.00 60.65 57.53 3g6e s ILE 26 Cb 0.00 -2.66 -0.27 0.00 0.13 0.00 0.00 42.46 39.66 3g6e s ILE 26 CO 0.00 -0.34 0.38 1.41 -1.91 0.00 0.00 174.94 174.48 3g6e n HIS 27 N 4.44 0.00 -4.48 3.50 8.25 -1.26 -3.66 115.22 122.01 3g6e n HIS 27 Ca -0.06 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.17 3g6e n HIS 27 Cb 0.42 -0.40 -0.11 0.00 1.12 0.00 0.00 29.99 31.02 3g6e n HIS 27 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3g6e s HIS 28 N -3.20 2.09 0.39 4.41 3.76 -1.26 -5.03 115.29 116.46 3g6e s HIS 28 Ca -0.06 -0.81 -0.25 0.00 -0.15 0.00 0.00 55.06 53.79 3g6e s HIS 28 Cb 0.11 -1.35 -0.09 0.00 1.11 0.00 0.00 32.58 32.37 3g6e s HIS 28 CO 0.72 0.20 1.12 0.08 -0.85 0.00 0.00 174.74 176.01 3g6e s VAL 29 N -3.07 3.36 0.00 -0.90 1.01 -1.26 -3.16 120.40 116.38 3g6e s VAL 29 Ca 0.34 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.44 3g6e s VAL 29 Cb 0.07 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.84 3g6e s VAL 29 CO 0.15 0.08 0.00 0.59 0.00 0.00 0.00 175.10 175.92 3g6e n ASN 30 N 0.09 -2.96 -4.78 3.32 3.02 0.08 -4.98 115.26 109.05 3g6e n ASN 30 Ca 0.04 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.20 3g6e n ASN 30 Cb 0.47 -1.22 -0.06 0.00 -0.61 0.00 0.00 39.78 38.36 3g6e n ASN 30 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3g6e s HIS 31 N -2.04 3.80 0.07 3.10 3.76 -1.19 -2.48 115.29 120.30 3g6e s HIS 31 Ca 0.00 1.38 0.09 0.00 -0.15 0.00 0.00 55.06 56.38 3g6e s HIS 31 Cb 0.00 -2.64 -0.03 0.00 1.11 0.00 0.00 32.58 31.02 3g6e s HIS 31 CO 0.00 0.47 -0.24 0.00 -0.85 0.00 0.00 174.74 174.12 3g6e s THR 33 N -0.91 0.69 -0.38 0.00 -1.32 -0.48 0.37 115.64 113.62 3g6e s THR 33 Ca 0.13 -1.39 -0.10 0.00 -1.21 0.00 0.00 61.69 59.12 3g6e s THR 33 Cb -0.10 -1.02 0.04 0.00 -1.51 0.00 0.00 72.50 69.90 3g6e s THR 33 CO 0.04 -0.51 0.20 -0.76 -2.21 0.00 0.00 174.62 171.38 3g6e s LEU 34 N -2.08 4.75 -0.16 9.08 1.43 -1.26 -1.22 118.68 129.22 3g6e s LEU 34 Ca -0.02 -1.13 -0.03 0.00 -1.03 0.00 0.00 54.13 51.92 3g6e s LEU 34 Cb -0.05 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 3g6e s LEU 34 CO -0.01 -0.41 -0.04 0.54 0.23 0.00 0.00 176.35 176.66 3g6e s VAL 35 N 1.50 3.81 0.72 -1.59 0.11 -0.09 -4.97 120.40 119.89 3g6e s VAL 35 Ca 0.01 -0.39 -0.13 0.00 -2.93 0.00 0.00 61.98 58.55 3g6e s VAL 35 Cb -0.20 -2.67 0.03 0.00 -1.53 0.00 0.00 36.38 32.01 3g6e s VAL 35 CO 0.05 0.49 1.11 -2.84 -3.33 0.00 0.00 175.10 170.58 3g6e s PRO 36 N 0.41 2.49 -0.99 1.54 0.02 -1.26 -0.39 135.00 136.82 3g6e s PRO 36 Ca -0.04 1.34 -0.13 0.00 0.02 0.00 0.00 61.00 62.18 3g6e s PRO 36 Cb -0.14 -1.91 0.23 0.00 0.02 0.00 0.00 34.50 32.69 3g6e s PRO 36 CO 0.03 -1.49 1.01 -1.21 -0.33 0.00 0.00 177.00 175.02 3g6e s GLU 37 N -4.40 3.88 0.40 5.54 2.02 -1.26 -4.75 118.70 120.12 3g6e s GLU 37 Ca 0.65 -2.67 0.05 0.00 0.02 0.00 0.00 54.97 53.03 3g6e s GLU 37 Cb -0.20 -4.60 -0.07 0.00 0.10 0.00 0.00 34.13 29.36 3g6e s GLU 37 CO 0.48 -1.38 0.02 0.99 0.02 0.00 0.00 175.26 175.39 3g6e s THR 38 N 0.10 1.66 0.17 3.63 2.01 -1.26 -4.94 115.64 117.01 3g6e s THR 38 Ca 0.27 -2.00 -0.12 0.00 0.31 0.00 0.00 61.69 60.16 3g6e s THR 38 Cb -0.09 -2.82 0.08 0.00 0.01 0.00 0.00 72.50 69.68 3g6e s THR 38 CO -0.08 0.00 1.72 0.44 -0.69 0.00 0.00 174.62 176.01 3g6e h ASP 39 N 1.79 0.85 -0.51 3.53 3.32 -1.99 -1.36 116.42 122.05 3g6e h ASP 39 Ca -0.43 -0.19 -0.06 0.00 0.02 0.00 0.00 57.03 56.37 3g6e h ASP 39 Cb 1.25 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 3g6e h ASP 39 CO 0.77 0.81 0.08 0.00 -1.72 0.00 0.00 179.24 179.17 3g6e h ALA 40 N 1.08 0.68 0.00 3.45 0.00 -1.97 -2.83 119.26 119.66 3g6e h ALA 40 Ca 0.20 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3g6e h ALA 40 Cb 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3g6e h ALA 40 CO -0.01 0.42 -0.39 1.88 0.00 0.00 0.00 179.25 181.14 3g6e h TYR 41 N 0.73 0.00 -0.14 0.00 0.99 -1.84 -3.14 116.97 113.56 3g6e h TYR 41 Ca 0.15 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.73 3g6e h TYR 41 Cb 0.41 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.13 3g6e h TYR 41 CO 0.03 0.39 -0.56 -0.09 -0.00 0.00 0.00 178.16 177.93 3g6e h ARG 42 N 0.00 0.44 -0.23 4.88 2.43 -1.03 -2.68 114.38 118.19 3g6e h ARG 42 Ca -0.00 -0.28 -0.10 0.00 -0.81 0.00 0.00 59.98 58.78 3g6e h ARG 42 Cb 1.03 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 3g6e h ARG 42 CO 0.05 0.89 -0.31 0.78 -1.51 0.00 0.00 179.97 179.87 3g6e h GLY 43 N 1.19 0.49 0.94 2.80 0.00 -1.46 -2.67 103.07 104.37 3g6e h GLY 43 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 3g6e h GLY 43 CO 0.10 0.39 -0.20 -0.33 0.00 0.00 0.00 176.54 176.50 3g6e h MET 44 N 0.39 0.67 0.00 4.80 2.86 -1.50 -2.70 114.93 119.45 3g6e h MET 44 Ca 0.05 -0.32 -0.10 0.00 -2.06 0.00 0.00 59.70 57.28 3g6e h MET 44 Cb 0.73 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 3g6e h MET 44 CO 0.06 0.92 -0.45 -0.39 1.06 0.00 0.00 176.91 178.10 3g6e h VAL 45 N 0.42 0.98 -0.01 -2.22 -1.51 -1.45 -2.77 116.25 109.68 3g6e h VAL 45 Ca 0.06 -1.79 -0.12 0.00 -1.23 0.00 0.00 66.70 63.62 3g6e h VAL 45 Cb 0.75 2.08 -0.02 0.00 -2.13 0.00 0.00 31.29 31.97 3g6e h VAL 45 CO 0.06 0.44 -0.54 0.00 -1.23 0.00 0.00 177.57 176.30 3g6e h ALA 46 N 1.55 1.07 0.00 5.19 0.00 -1.43 0.12 119.26 125.76 3g6e h ALA 46 Ca -0.00 -0.50 -0.17 0.00 0.00 0.00 0.00 54.91 54.23 3g6e h ALA 46 Cb 1.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3g6e h ALA 46 CO 0.06 0.68 -0.83 -0.22 0.00 0.00 0.00 179.25 178.94 3g6e h LYS 47 N 0.03 0.00 -0.01 0.00 3.64 -1.30 -3.23 116.57 115.71 3g6e h LYS 47 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3g6e h LYS 47 Cb 0.97 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3g6e h LYS 47 CO 0.07 0.83 -0.43 0.28 -2.27 0.00 0.00 179.45 177.93 3g6e n VAL 48 N -3.55 0.00 -0.41 2.00 0.31 -1.06 -4.66 118.33 110.95 3g6e n VAL 48 Ca -0.00 -0.23 0.34 0.00 -0.01 0.00 0.00 64.34 64.44 3g6e n VAL 48 Cb 0.79 1.06 0.57 0.00 -0.91 0.00 0.00 33.84 35.35 3g6e n VAL 48 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3g6e n ASN 49 N -0.18 0.16 -0.20 4.52 2.85 0.38 -0.51 115.26 122.28 3g6e n ASN 49 Ca 0.10 1.12 0.13 0.00 -0.11 0.00 0.00 54.58 55.81 3g6e n ASN 49 Cb 0.44 -0.55 0.31 0.00 1.24 0.00 0.00 39.78 41.22 3g6e n ASN 49 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 3g6e n ASP 50 N -4.28 0.97 -0.03 1.20 8.00 -1.26 -2.41 116.55 118.74 3g6e n ASP 50 Ca 0.34 -0.79 0.02 0.00 0.71 0.00 0.00 54.79 55.07 3g6e n ASP 50 Cb 1.34 0.21 0.03 0.00 -0.02 0.00 0.00 41.12 42.68 3g6e n ASP 50 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3g6e n PHE 51 N -0.83 0.00 -4.25 1.24 3.01 0.33 -4.92 117.46 112.04 3g6e n PHE 51 Ca 0.10 -0.52 -0.15 0.00 1.01 0.00 0.00 57.45 57.88 3g6e n PHE 51 Cb 0.35 -0.06 -0.09 0.00 -0.01 0.00 0.00 39.48 39.67 3g6e n PHE 51 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3g6e s VAL 52 N -1.23 0.06 -0.09 -4.37 0.11 -1.09 -2.34 120.40 111.45 3g6e s VAL 52 Ca 0.07 -2.00 -0.02 0.00 -2.93 0.00 0.00 61.98 57.09 3g6e s VAL 52 Cb 0.06 -2.50 0.04 0.00 -1.53 0.00 0.00 36.38 32.44 3g6e s VAL 52 CO 0.01 0.00 0.04 0.00 -3.33 0.00 0.00 175.10 171.81 3g6e s ALA 53 N -3.84 0.56 0.19 1.54 0.00 -0.45 -0.88 121.76 118.88 3g6e s ALA 53 Ca 0.39 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.25 3g6e s ALA 53 Cb 0.05 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 3g6e s ALA 53 CO 0.18 -0.66 -0.03 -0.59 0.00 0.00 0.00 175.76 174.67 3g6e s PHE 54 N 2.04 1.35 0.00 0.00 -0.12 -0.84 -1.08 117.98 119.33 3g6e s PHE 54 Ca 0.04 -0.92 0.00 0.00 -0.05 0.00 0.00 56.93 56.00 3g6e s PHE 54 Cb -0.13 -0.76 0.00 0.00 -0.63 0.00 0.00 43.02 41.50 3g6e s PHE 54 CO -0.05 -0.08 0.00 0.41 -0.05 0.00 0.00 175.22 175.45 3g6e n GLY 55 N -0.29 2.83 3.66 1.99 0.00 -1.21 -0.27 105.19 111.89 3g6e n GLY 55 Ca -0.07 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 3g6e n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3g6e s GLU 56 N -2.00 4.22 0.58 1.61 2.12 -1.26 -0.72 118.70 123.25 3g6e s GLU 56 Ca 0.00 1.57 -0.08 0.00 0.36 0.00 0.00 54.97 56.83 3g6e s GLU 56 Cb 0.00 -3.75 -0.01 0.00 0.26 0.00 0.00 34.13 30.63 3g6e s GLU 56 CO 0.00 -0.72 0.92 -1.25 -0.54 0.00 0.00 175.26 173.68 3g6e s PRO 57 N 3.48 3.23 0.52 4.30 0.04 -1.26 -4.39 135.00 140.92 3g6e s PRO 57 Ca 0.53 0.29 -0.10 0.00 0.04 0.00 0.00 61.00 61.75 3g6e s PRO 57 Cb -0.20 -2.22 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 3g6e s PRO 57 CO 0.13 -0.58 0.90 -1.54 0.04 0.00 0.00 177.00 175.96 3g6e s SER 58 N -4.23 6.35 0.22 6.66 1.04 -1.26 -4.90 113.70 117.59 3g6e s SER 58 Ca 0.53 1.25 -0.07 0.00 0.48 0.00 0.00 55.95 58.13 3g6e s SER 58 Cb -0.11 -2.38 0.35 0.00 0.10 0.00 0.00 66.02 63.98 3g6e s SER 58 CO 0.48 -0.65 1.75 -0.61 0.98 0.00 0.00 173.24 175.18 3g6e h GLN 59 N 0.32 0.45 0.02 4.02 5.75 -1.97 -0.72 115.11 122.98 3g6e h GLN 59 Ca -0.46 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.02 3g6e h GLN 59 Cb 1.19 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.63 3g6e h GLN 59 CO 0.62 0.30 -0.06 0.93 -2.65 0.00 0.00 178.83 177.96 3g6e h GLU 60 N 0.46 -0.12 -0.44 1.69 5.08 -1.99 -1.79 114.58 117.47 3g6e h GLU 60 Ca 0.35 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.64 3g6e h GLU 60 Cb 0.46 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3g6e h GLU 60 CO -0.33 -0.08 -0.03 1.15 -1.00 0.00 0.00 179.01 178.73 3g6e h THR 61 N -0.12 1.27 -0.58 1.13 2.02 -1.86 -2.27 112.91 112.49 3g6e h THR 61 Ca 0.02 -1.09 -0.03 0.00 0.77 0.00 0.00 66.41 66.08 3g6e h THR 61 Cb 0.15 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 3g6e h THR 61 CO -0.06 0.37 0.22 0.25 0.37 0.00 0.00 175.52 176.68 3g6e h LEU 62 N 0.64 0.77 -0.77 2.58 5.85 -1.05 -1.44 115.31 121.89 3g6e h LEU 62 Ca 0.12 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 3g6e h LEU 62 Cb 0.53 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3g6e h LEU 62 CO 0.03 0.70 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.48 3g6e h GLU 63 N 0.83 0.92 -0.17 1.25 5.08 -1.11 -0.24 114.58 121.13 3g6e h GLU 63 Ca 0.20 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3g6e h GLU 63 Cb 0.18 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3g6e h GLU 63 CO -0.02 0.92 -0.10 1.15 -1.00 0.00 0.00 179.01 179.96 3g6e h THR 64 N 0.84 1.32 -0.65 1.13 2.02 -0.92 -2.45 112.91 114.20 3g6e h THR 64 Ca 0.15 -1.17 -0.06 0.00 0.77 0.00 0.00 66.41 66.10 3g6e h THR 64 Cb 0.53 1.73 -0.03 0.00 -1.74 0.00 0.00 68.15 68.63 3g6e h THR 64 CO 0.03 0.35 0.17 0.58 0.37 0.00 0.00 175.52 177.02 3g6e h VAL 65 N 0.04 1.25 -0.16 3.16 2.07 -1.12 -2.31 116.25 119.18 3g6e h VAL 65 Ca 0.04 -0.91 -0.10 0.00 0.82 0.00 0.00 66.70 66.54 3g6e h VAL 65 Cb 0.59 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3g6e h VAL 65 CO 0.03 0.35 -0.35 -0.07 0.02 0.00 0.00 177.57 177.54 3g6e h LEU 66 N 0.95 0.35 -0.24 2.57 3.38 -1.06 0.21 115.31 121.46 3g6e h LEU 66 Ca 0.20 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3g6e h LEU 66 Cb 0.34 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3g6e h LEU 66 CO -0.00 0.68 -0.09 0.00 0.09 0.00 0.00 178.44 179.13 3g6e h ALA 67 N 1.34 0.33 0.09 1.53 0.00 -1.12 -2.69 119.26 118.75 3g6e h ALA 67 Ca 0.03 -0.29 -0.32 0.00 0.00 0.00 0.00 54.91 54.33 3g6e h ALA 67 Cb 0.76 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3g6e h ALA 67 CO 0.06 0.16 -1.74 0.00 0.00 0.00 0.00 179.25 177.73 3g6e h THR 68 N 0.21 0.89 -0.00 0.00 1.03 -1.36 -3.41 112.91 110.27 3g6e h THR 68 Ca 0.06 -2.60 0.00 0.00 -0.01 0.00 0.00 66.41 63.85 3g6e h THR 68 Cb 0.57 2.59 0.00 0.00 -1.07 0.00 0.00 68.15 70.24 3g6e h THR 68 CO 0.03 0.77 -0.25 0.54 -0.01 0.00 0.00 175.52 176.59 3g6e n ARG 69 N -3.37 2.74 -2.55 0.00 5.12 0.71 -5.02 116.66 114.29 3g6e n ARG 69 Ca -0.22 -0.40 -0.39 0.00 -1.93 0.00 0.00 57.85 54.90 3g6e n ARG 69 Cb 1.05 -1.01 -0.05 0.00 -1.16 0.00 0.00 32.46 31.29 3g6e n ARG 69 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3g6e s ALA 70 N -1.44 3.32 0.15 7.54 0.00 -1.01 -4.05 121.76 126.27 3g6e s ALA 70 Ca 0.06 0.79 0.05 0.00 0.00 0.00 0.00 51.96 52.86 3g6e s ALA 70 Cb 0.07 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 3g6e s ALA 70 CO 0.27 -0.09 -0.12 -1.21 0.00 0.00 0.00 175.76 174.61 3g6e s GLU 71 N -1.64 1.09 1.20 0.00 2.02 -1.26 -4.17 118.70 115.94 3g6e s GLU 71 Ca 0.47 -1.42 -0.20 0.00 0.02 0.00 0.00 54.97 53.84 3g6e s GLU 71 Cb -0.28 -0.77 0.29 0.00 0.10 0.00 0.00 34.13 33.47 3g6e s GLU 71 CO 0.36 0.12 1.15 -2.14 0.02 0.00 0.00 175.26 174.76 3g6e s PRO 72 N -3.45 -1.24 0.40 0.39 0.02 -1.26 -1.44 135.00 128.42 3g6e s PRO 72 Ca 0.16 -0.23 0.15 0.00 0.02 0.00 0.00 61.00 61.10 3g6e s PRO 72 Cb 0.00 -1.61 0.83 0.00 0.02 0.00 0.00 34.50 33.74 3g6e s PRO 72 CO 0.02 -3.69 1.86 1.25 -0.33 0.00 0.00 177.00 176.11 3g6e h LEU 73 N -2.56 0.00 -7.30 -5.54 5.85 -1.48 -3.09 115.31 101.18 3g6e h LEU 73 Ca -0.43 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.12 3g6e h LEU 73 Cb 1.27 0.00 -0.29 0.00 0.37 0.00 0.00 40.66 42.01 3g6e h LEU 73 CO 0.30 0.33 -0.44 -1.61 -0.34 0.00 0.00 178.44 176.68 3g6e s GLU 74 N -4.16 0.25 0.00 1.25 2.02 -1.26 -4.81 118.70 111.99 3g6e s GLU 74 Ca -0.03 0.62 0.00 0.00 0.02 0.00 0.00 54.97 55.59 3g6e s GLU 74 Cb 0.14 -0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.29 3g6e s GLU 74 CO 0.70 -0.17 0.00 0.41 0.02 0.00 0.00 175.26 176.22 3g6e n GLY 75 N 4.33 2.20 0.20 -1.39 0.00 -1.26 -4.88 105.19 104.39 3g6e n GLY 75 Ca -0.23 -2.03 -0.16 0.00 0.00 0.00 0.00 46.02 43.60 3g6e n GLY 75 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3g6e h ASP 76 N 0.00 0.82 -0.02 1.61 3.32 -2.01 -3.38 116.42 116.76 3g6e h ASP 76 Ca 0.00 -0.56 -0.01 0.00 0.02 0.00 0.00 57.03 56.47 3g6e h ASP 76 Cb 0.00 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.31 3g6e h ASP 76 CO 0.00 1.35 -0.00 0.00 -1.72 0.00 0.00 179.24 178.87 3g6e n ALA 77 N -2.59 -0.70 -1.93 3.45 0.00 -1.26 -4.89 120.51 112.59 3g6e n ALA 77 Ca -0.07 0.01 -0.41 0.00 0.00 0.00 0.00 53.44 52.97 3g6e n ALA 77 Cb 0.77 -0.03 -0.04 0.00 0.00 0.00 0.00 19.45 20.15 3g6e n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3g6e s ASP 78 N -0.00 7.17 -0.95 0.00 1.01 -1.26 -4.40 116.67 118.23 3g6e s ASP 78 Ca 0.01 2.24 -0.10 0.00 0.71 0.00 0.00 52.55 55.42 3g6e s ASP 78 Cb -0.02 -2.62 0.24 0.00 1.01 0.00 0.00 42.92 41.54 3g6e s ASP 78 CO 0.01 -0.27 0.91 -0.69 0.21 0.00 0.00 175.17 175.34 3g6e s VAL 79 N -0.56 5.58 0.47 -1.27 1.01 -1.26 -4.75 120.40 119.62 3g6e s VAL 79 Ca 0.49 -3.06 0.06 0.00 0.00 0.00 0.00 61.98 59.47 3g6e s VAL 79 Cb -0.32 -4.41 0.06 0.00 0.00 0.00 0.00 36.38 31.71 3g6e s VAL 79 CO 0.39 -1.10 0.49 -0.90 0.00 0.00 0.00 175.10 173.98 3g6e n ASP 80 N 3.22 2.13 -0.27 3.32 5.68 -1.26 -4.35 116.55 125.02 3g6e n ASP 80 Ca 0.19 -2.43 0.02 0.00 -0.50 0.00 0.00 54.79 52.07 3g6e n ASP 80 Cb 0.42 -0.18 0.24 0.00 -1.14 0.00 0.00 41.12 40.46 3g6e n ASP 80 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3g6e h ASP 81 N 0.33 0.89 -0.13 -1.12 3.32 -1.94 -1.15 116.42 116.61 3g6e h ASP 81 Ca -0.26 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.68 3g6e h ASP 81 Cb 1.04 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 3g6e h ASP 81 CO 0.39 0.61 -0.24 -0.08 -1.72 0.00 0.00 179.24 178.20 3g6e h GLU 82 N 1.03 0.58 -0.08 3.56 4.81 -1.96 0.46 114.58 122.98 3g6e h GLU 82 Ca 0.34 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3g6e h GLU 82 Cb 0.05 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 3g6e h GLU 82 CO -0.10 0.78 -0.08 2.35 -0.73 0.00 0.00 179.01 181.23 3g6e h TRP 83 N 0.51 0.23 -0.70 0.92 7.01 -1.70 -2.19 115.95 120.04 3g6e h TRP 83 Ca 0.07 -0.07 0.01 0.00 2.11 0.00 0.00 58.89 61.02 3g6e h TRP 83 Cb 0.69 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.67 3g6e h TRP 83 CO 0.03 0.63 0.46 0.28 -2.79 0.00 0.00 178.44 177.05 3g6e h VAL 84 N -0.24 1.16 -0.56 2.65 2.07 -1.03 -2.08 116.25 118.21 3g6e h VAL 84 Ca 0.01 -0.31 -0.11 0.00 0.82 0.00 0.00 66.70 67.11 3g6e h VAL 84 Cb 0.60 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3g6e h VAL 84 CO 0.02 0.17 -0.06 0.00 0.02 0.00 0.00 177.57 177.72 3g6e h ALA 85 N 1.57 0.77 0.00 1.67 0.00 -0.79 -2.37 119.26 120.12 3g6e h ALA 85 Ca 0.26 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3g6e h ALA 85 Cb -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3g6e h ALA 85 CO -0.06 0.65 -0.40 0.93 0.00 0.00 0.00 179.25 180.36 3g6e h GLU 86 N 0.92 0.00 0.00 0.00 5.08 -0.97 -3.41 114.58 116.20 3g6e h GLU 86 Ca 0.15 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3g6e h GLU 86 Cb 0.62 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 3g6e h GLU 86 CO 0.04 0.13 -1.01 0.72 -1.00 0.00 0.00 179.01 177.89 3g6e n HIS 87 N -3.03 0.00 -2.70 4.33 8.25 -0.82 -5.09 115.22 116.15 3g6e n HIS 87 Ca 0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.36 3g6e n HIS 87 Cb 0.60 -0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.76 3g6e n HIS 87 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3g6e n THR 88 N -1.64 0.00 -0.34 1.59 -1.04 -0.89 -4.89 114.28 107.07 3g6e n THR 88 Ca -0.00 -0.99 0.12 0.00 -2.04 0.00 0.00 64.05 61.14 3g6e n THR 88 Cb 0.14 -0.94 0.32 0.00 -1.82 0.00 0.00 70.33 68.03 3g6e n THR 88 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3g6e n ASP 89 N -2.80 3.95 -4.59 8.00 8.00 -1.26 -4.92 116.55 122.92 3g6e n ASP 89 Ca 0.09 -2.00 -0.25 0.00 0.71 0.00 0.00 54.79 53.35 3g6e n ASP 89 Cb 0.34 -0.48 -0.09 0.00 -0.02 0.00 0.00 41.12 40.87 3g6e n ASP 89 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3g6e s TYR 90 N -1.03 2.49 -0.07 1.24 1.51 -1.26 -5.08 117.35 115.15 3g6e s TYR 90 Ca 0.49 -0.43 -0.17 0.00 -1.01 0.00 0.00 57.07 55.95 3g6e s TYR 90 Cb 0.26 -1.39 -0.29 0.00 -0.11 0.00 0.00 41.96 40.42 3g6e s TYR 90 CO 0.34 0.54 0.68 -0.44 -1.11 0.00 0.00 175.55 175.56 3g6e h ASP 91 N 1.92 0.46 -4.44 2.29 3.32 -1.92 -3.37 116.42 114.68 3g6e h ASP 91 Ca -0.42 -0.89 -0.39 0.00 0.02 0.00 0.00 57.03 55.34 3g6e h ASP 91 Cb 1.25 -0.15 -0.10 0.00 0.22 0.00 0.00 39.33 40.55 3g6e h ASP 91 CO 0.67 1.59 -0.34 -0.90 -1.72 0.00 0.00 179.24 178.53 3g6e n ASP 92 N -3.92 -0.88 -0.09 6.45 5.75 -1.26 -3.90 116.55 118.70 3g6e n ASP 92 Ca -0.22 -2.99 0.06 0.00 -0.01 0.00 0.00 54.79 51.63 3g6e n ASP 92 Cb 0.92 1.87 0.40 0.00 -1.03 0.00 0.00 41.12 43.27 3g6e n ASP 92 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3g6e h ILE 93 N 2.00 1.06 -0.83 2.12 2.04 -1.87 -2.56 117.51 119.47 3g6e h ILE 93 Ca -0.23 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 3g6e h ILE 93 Cb 1.14 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 3g6e h ILE 93 CO 0.33 0.12 0.45 0.28 0.00 0.00 0.00 178.15 179.33 3g6e h SER 94 N 0.64 1.05 0.24 1.72 0.02 -1.96 0.15 113.55 115.40 3g6e h SER 94 Ca 0.23 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.97 3g6e h SER 94 Cb 0.11 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 3g6e h SER 94 CO -0.06 0.85 -0.40 1.23 -1.14 0.00 0.00 176.83 177.31 3g6e h GLY 95 N 1.16 0.24 0.31 -3.77 0.00 -1.87 -0.52 103.07 98.62 3g6e h GLY 95 Ca 0.29 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 3g6e h GLY 95 CO -0.05 0.20 -0.00 -2.00 0.00 0.00 0.00 176.54 174.69 3g6e h LEU 96 N 0.19 -0.00 -1.54 3.11 5.85 -1.25 -2.86 115.31 118.81 3g6e h LEU 96 Ca 0.02 -0.69 0.06 0.00 0.84 0.00 0.00 57.88 58.11 3g6e h LEU 96 Cb 0.79 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 3g6e h LEU 96 CO 0.06 0.69 0.39 0.00 -0.34 0.00 0.00 178.44 179.24 3g6e h ALA 97 N 0.31 1.83 -0.24 1.25 0.00 -0.61 -1.21 119.26 120.58 3g6e h ALA 97 Ca -0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 3g6e h ALA 97 Cb 0.69 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3g6e h ALA 97 CO 0.00 0.07 -0.52 0.35 0.00 0.00 0.00 179.25 179.15 3g6e h PHE 98 N 0.56 0.99 -0.42 0.00 3.57 -1.14 -2.62 116.94 117.89 3g6e h PHE 98 Ca 0.26 -0.37 -0.10 0.00 3.53 0.00 0.00 57.97 61.30 3g6e h PHE 98 Cb 0.29 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 3g6e h PHE 98 CO -0.00 1.17 -0.13 0.00 -2.23 0.00 0.00 178.31 177.12 3g6e h ALA 99 N 0.64 0.98 -0.14 2.41 0.00 -1.06 -1.63 119.26 120.46 3g6e h ALA 99 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3g6e h ALA 99 Cb 1.13 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3g6e h ALA 99 CO 0.11 0.60 -0.00 -0.07 0.00 0.00 0.00 179.25 179.90 3g6e h LEU 100 N 0.69 0.24 -1.34 0.00 3.38 -1.27 0.24 115.31 117.24 3g6e h LEU 100 Ca 0.11 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 3g6e h LEU 100 Cb 0.61 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3g6e h LEU 100 CO 0.04 0.49 -0.13 -0.07 0.09 0.00 0.00 178.44 178.86 3g6e h LEU 101 N -0.02 0.26 -1.13 1.67 3.38 -1.38 -1.85 115.31 116.25 3g6e h LEU 101 Ca 0.04 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3g6e h LEU 101 Cb 0.37 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3g6e h LEU 101 CO 0.01 0.43 0.00 -1.54 0.09 0.00 0.00 178.44 177.42 3g6e n SER 102 N -4.26 1.72 -3.57 -0.43 3.41 -0.62 -4.16 113.62 105.71 3g6e n SER 102 Ca -0.00 -1.64 -0.21 0.00 -0.26 0.00 0.00 58.87 56.75 3g6e n SER 102 Cb 0.28 -0.06 0.07 0.00 -0.26 0.00 0.00 64.21 64.24 3g6e n SER 102 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3g6e n GLU 103 N 0.34 -6.85 -0.01 4.33 1.02 -0.68 -4.95 120.64 113.85 3g6e n GLU 103 Ca 0.17 0.79 -0.02 0.00 -0.02 0.00 0.00 57.16 58.08 3g6e n GLU 103 Cb 0.36 -5.76 -0.12 0.00 -0.02 0.00 0.00 31.44 25.90 3g6e n GLU 103 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3g6e n GLU 104 N -4.53 0.64 -3.77 3.49 4.07 0.75 -5.02 120.64 116.27 3g6e n GLU 104 Ca -0.15 0.13 -0.12 0.00 -0.06 0.00 0.00 57.16 56.96 3g6e n GLU 104 Cb 0.62 -1.71 -0.01 0.00 -0.06 0.00 0.00 31.44 30.28 3g6e n GLU 104 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 3g6e n THR 105 N -2.81 0.00 -4.27 6.31 5.66 -1.24 -5.04 114.28 112.89 3g6e n THR 105 Ca -0.16 -1.45 -0.15 0.00 -3.05 0.00 0.00 64.05 59.25 3g6e n THR 105 Cb 0.92 1.00 -0.10 0.00 -1.55 0.00 0.00 70.33 70.60 3g6e n THR 105 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3g6e s THR 106 N -2.60 0.95 0.31 1.09 -4.23 -1.26 -4.57 115.64 105.34 3g6e s THR 106 Ca 0.24 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.73 3g6e s THR 106 Cb -0.02 -2.07 0.20 0.00 1.34 0.00 0.00 72.50 71.95 3g6e s THR 106 CO 0.17 -0.54 1.91 -0.07 -0.54 0.00 0.00 174.62 175.55 3g6e h LEU 107 N 2.67 0.73 -0.39 4.79 3.38 -1.91 -2.76 115.31 121.82 3g6e h LEU 107 Ca -0.37 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.40 3g6e h LEU 107 Cb 1.20 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3g6e h LEU 107 CO 0.64 0.65 -0.22 -0.09 0.09 0.00 0.00 178.44 179.50 3g6e h ARG 108 N 0.81 0.85 0.00 1.13 2.43 -1.84 0.27 114.38 118.03 3g6e h ARG 108 Ca 0.20 -0.38 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 3g6e h ARG 108 Cb 0.13 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3g6e h ARG 108 CO -0.02 1.02 -0.01 1.49 -1.51 0.00 0.00 179.97 180.94 3g6e h GLU 109 N 0.65 0.00 -0.38 0.20 4.81 -1.80 -1.77 114.58 116.30 3g6e h GLU 109 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3g6e h GLU 109 Cb 0.79 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.17 3g6e h GLU 109 CO 0.06 0.01 0.00 1.04 -0.73 0.00 0.00 179.01 179.40 3g6e n GLN 110 N -3.18 3.25 -1.11 1.92 1.13 -1.08 -4.97 117.38 113.35 3g6e n GLN 110 Ca -0.02 -2.68 -0.04 0.00 -1.94 0.00 0.00 57.00 52.32 3g6e n GLN 110 Cb 0.17 -1.75 -0.02 0.00 0.11 0.00 0.00 30.24 28.75 3g6e n GLN 110 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3g6e n GLY 111 N 0.15 0.66 3.67 1.08 0.00 -0.66 -4.64 105.19 105.45 3g6e n GLY 111 Ca 0.20 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 3g6e n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g6e s LEU 112 N -0.83 3.32 0.24 0.99 1.43 0.93 -1.42 118.68 123.35 3g6e s LEU 112 Ca 0.00 -0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 52.39 3g6e s LEU 112 Cb 0.00 -1.96 -0.10 0.00 0.03 0.00 0.00 46.19 44.16 3g6e s LEU 112 CO 0.00 0.08 1.37 -0.55 0.23 0.00 0.00 176.35 177.48 3g6e s SER 113 N -3.02 6.77 0.00 2.29 0.15 -0.52 -2.99 113.70 116.38 3g6e s SER 113 Ca 0.28 2.57 0.12 0.00 0.70 0.00 0.00 55.95 59.62 3g6e s SER 113 Cb -0.09 -2.62 0.55 0.00 -1.71 0.00 0.00 66.02 62.15 3g6e s SER 113 CO 0.19 -0.61 1.33 -2.65 1.20 0.00 0.00 173.24 172.71 3g6e n PRO 114 N 2.18 0.08 -4.40 5.44 -0.02 -1.26 -4.66 135.00 132.36 3g6e n PRO 114 Ca 0.05 0.24 -0.34 0.00 -2.02 0.00 0.00 63.50 61.43 3g6e n PRO 114 Cb 0.41 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.28 3g6e n PRO 114 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3g6e s THR 115 N -2.79 4.00 -0.42 3.45 2.01 -1.26 -4.28 115.64 116.35 3g6e s THR 115 Ca 0.08 -0.33 -0.08 0.00 0.31 0.00 0.00 61.69 61.67 3g6e s THR 115 Cb 0.08 -2.73 0.09 0.00 0.01 0.00 0.00 72.50 69.94 3g6e s THR 115 CO 0.20 0.52 0.25 -0.76 -0.69 0.00 0.00 174.62 174.14 3g6e s LEU 116 N -0.00 5.16 -1.00 4.42 1.43 0.16 -4.67 118.68 124.18 3g6e s LEU 116 Ca 0.01 -1.61 -0.22 0.00 -1.03 0.00 0.00 54.13 51.28 3g6e s LEU 116 Cb -0.13 -1.95 0.07 0.00 0.03 0.00 0.00 46.19 44.20 3g6e s LEU 116 CO 0.02 -0.54 1.38 -0.13 0.23 0.00 0.00 176.35 177.31 3g6e s ARG 117 N 1.37 3.59 0.82 1.70 0.52 -1.26 -0.08 118.95 125.62 3g6e s ARG 117 Ca 0.04 -1.26 -0.11 0.00 -0.52 0.00 0.00 55.73 53.87 3g6e s ARG 117 Cb -0.23 -5.27 0.08 0.00 0.52 0.00 0.00 34.95 30.06 3g6e s ARG 117 CO 0.01 -2.12 1.10 -0.51 0.02 0.00 0.00 175.30 173.80 3g6e s LEU 118 N 4.49 2.52 0.34 2.53 1.43 -1.03 -4.94 118.68 124.01 3g6e s LEU 118 Ca 0.43 1.36 -0.04 0.00 -1.03 0.00 0.00 54.13 54.85 3g6e s LEU 118 Cb -0.01 -3.92 -0.04 0.00 0.03 0.00 0.00 46.19 42.24 3g6e s LEU 118 CO -0.10 -2.14 0.59 -2.28 0.23 0.00 0.00 176.35 172.65 3g6e s HIS 119 N -3.10 3.50 0.66 0.29 5.65 -1.09 -4.82 115.29 116.38 3g6e s HIS 119 Ca 0.61 0.59 -0.18 0.00 0.25 0.00 0.00 55.06 56.34 3g6e s HIS 119 Cb -0.15 -2.08 -0.00 0.00 -1.18 0.00 0.00 32.58 29.16 3g6e s HIS 119 CO 0.55 0.09 1.28 -2.14 -0.65 0.00 0.00 174.74 173.86 3g6e s PRO 120 N -3.95 2.49 0.04 2.88 0.02 -1.26 -4.52 135.00 130.71 3g6e s PRO 120 Ca 0.43 2.02 -0.30 0.00 0.02 0.00 0.00 61.00 63.17 3g6e s PRO 120 Cb -0.10 -1.84 -0.09 0.00 0.02 0.00 0.00 34.50 32.48 3g6e s PRO 120 CO 0.34 -1.63 1.95 -1.25 -0.33 0.00 0.00 177.00 176.07 3g6e s PRO 121 N -3.45 4.14 -0.02 5.54 0.04 -1.26 -4.57 135.00 135.42 3g6e s PRO 121 Ca 0.81 2.60 -0.30 0.00 0.04 0.00 0.00 61.00 64.16 3g6e s PRO 121 Cb -0.36 -4.10 -0.05 0.00 0.04 0.00 0.00 34.50 30.03 3g6e s PRO 121 CO 0.40 -0.94 1.48 1.03 0.04 0.00 0.00 177.00 179.01 3g6e s ARG 122 N 4.26 4.24 0.00 4.56 0.52 -0.20 -1.12 118.95 131.21 3g6e s ARG 122 Ca 0.87 2.03 0.00 0.00 -0.52 0.00 0.00 55.73 58.11 3g6e s ARG 122 Cb -0.43 -3.69 0.00 0.00 0.52 0.00 0.00 34.95 31.35 3g6e s ARG 122 CO 0.41 -0.67 0.00 0.41 0.02 0.00 0.00 175.30 175.46 3g6e n GLY 123 N 3.80 0.85 0.22 -3.53 0.00 -1.26 -4.88 105.19 100.38 3g6e n GLY 123 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.19 3g6e n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g6e n GLY 124 N -2.08 -2.46 3.46 -0.02 0.00 -0.28 -5.02 105.19 98.79 3g6e n GLY 124 Ca 0.00 -1.41 -0.20 0.00 0.00 0.00 0.00 46.02 44.41 3g6e n GLY 124 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3g6e n HIS 125 N -2.52 -2.88 1.87 1.61 1.44 -1.26 -4.93 115.22 108.55 3g6e n HIS 125 Ca -0.01 -1.62 0.16 0.00 -2.01 0.00 0.00 57.72 54.23 3g6e n HIS 125 Cb 0.10 -0.62 0.85 0.00 0.12 0.00 0.00 29.99 30.45 3g6e n HIS 125 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3g6e n ASP 126 N -2.83 0.29 0.00 4.39 8.00 -1.26 -4.99 116.55 120.16 3g6e n ASP 126 Ca 0.15 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.60 3g6e n ASP 126 Cb 0.53 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 3g6e n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g6e n GLY 127 N 1.05 3.17 1.65 0.44 0.00 -1.26 -4.27 105.19 105.96 3g6e n GLY 127 Ca 0.22 -1.52 0.05 0.00 0.00 0.00 0.00 46.02 44.78 3g6e n GLY 127 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3g6e n VAL 128 N 0.60 2.27 0.14 1.61 0.24 -1.26 -1.34 118.33 120.58 3g6e n VAL 128 Ca 0.00 -1.15 0.03 0.00 -2.04 0.00 0.00 64.34 61.18 3g6e n VAL 128 Cb 0.00 -0.32 -0.03 0.00 -1.47 0.00 0.00 33.84 32.01 3g6e n VAL 128 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3g6e n LYS 129 N 0.50 3.03 -4.21 7.34 5.02 -1.26 -4.99 118.16 123.58 3g6e n LYS 129 Ca 0.23 -0.02 -0.19 0.00 -2.02 0.00 0.00 58.31 56.31 3g6e n LYS 129 Cb 1.03 -0.91 -0.12 0.00 -0.02 0.00 0.00 35.03 35.01 3g6e n LYS 129 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3g6e s HIS 130 N -1.88 1.35 0.94 2.13 3.76 -1.26 -5.09 115.29 115.24 3g6e s HIS 130 Ca 0.00 -0.49 -0.14 0.00 -0.15 0.00 0.00 55.06 54.28 3g6e s HIS 130 Cb 0.04 -0.73 0.20 0.00 1.11 0.00 0.00 32.58 33.19 3g6e s HIS 130 CO 0.22 0.10 1.29 -1.25 -0.85 0.00 0.00 174.74 174.25 3g6e s PRO 131 N -2.11 0.70 0.22 8.40 0.04 -1.26 -2.50 135.00 138.49 3g6e s PRO 131 Ca 0.03 -0.55 -0.08 0.00 0.04 0.00 0.00 61.00 60.44 3g6e s PRO 131 Cb -0.08 -1.91 0.25 0.00 0.04 0.00 0.00 34.50 32.80 3g6e s PRO 131 CO 0.03 -2.33 1.85 0.28 0.04 0.00 0.00 177.00 176.87 3g6e h VAL 132 N -1.52 1.08 0.00 -0.36 2.07 -1.50 0.32 116.25 116.34 3g6e h VAL 132 Ca -0.43 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3g6e h VAL 132 Cb 1.23 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3g6e h VAL 132 CO 0.36 0.17 0.00 0.11 0.02 0.00 0.00 177.57 178.23 3g6e h LYS 133 N 0.92 0.00 -0.52 1.57 1.57 -1.88 -2.10 116.57 116.14 3g6e h LYS 133 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3g6e h LYS 133 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3g6e h LYS 133 CO -0.13 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.14 3g6e n GLU 134 N -2.79 2.79 -0.41 3.15 1.02 -0.92 -4.96 120.64 118.52 3g6e n GLU 134 Ca -0.00 -2.32 0.00 0.00 -0.02 0.00 0.00 57.16 54.81 3g6e n GLU 134 Cb 0.19 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 3g6e n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3g6e n GLY 135 N 1.04 0.77 0.00 0.62 0.00 -0.79 -4.86 105.19 101.97 3g6e n GLY 135 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3g6e n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g6e n GLY 136 N -2.27 1.44 0.00 -0.02 0.00 0.11 -4.72 105.19 99.72 3g6e n GLY 136 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.03 3g6e n GLY 136 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3g6e n GLN 137 N -0.31 2.05 -3.37 1.61 -0.06 -0.45 -3.87 117.38 112.98 3g6e n GLN 137 Ca 0.00 -1.25 -0.30 0.00 -2.00 0.00 0.00 57.00 53.45 3g6e n GLN 137 Cb 0.00 -0.99 -0.04 0.00 -4.06 0.00 0.00 30.24 25.15 3g6e n GLN 137 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3g6e s LEU 138 N -0.76 4.09 0.00 1.69 1.43 -1.11 -4.54 118.68 119.49 3g6e s LEU 138 Ca 0.00 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 3g6e s LEU 138 Cb 0.00 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.65 3g6e s LEU 138 CO 0.00 -0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.04 3g6e n GLY 139 N -0.67 -1.68 3.74 -3.19 0.00 -0.06 -1.94 105.19 101.39 3g6e n GLY 139 Ca -0.01 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 3g6e n GLY 139 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3g6e s LYS 140 N 0.00 4.45 0.36 1.61 2.20 -1.26 -1.98 119.74 125.11 3g6e s LYS 140 Ca 0.00 1.99 0.09 0.00 -0.36 0.00 0.00 55.97 57.69 3g6e s LYS 140 Cb 0.00 -3.19 -0.06 0.00 -1.51 0.00 0.00 37.83 33.07 3g6e s LYS 140 CO 0.00 -0.14 -0.02 -1.01 -0.36 0.00 0.00 175.35 173.82 3g6e s HIS 141 N -0.27 2.48 0.71 4.03 3.76 0.63 -4.73 115.29 121.91 3g6e s HIS 141 Ca 0.53 -0.53 -0.11 0.00 -0.15 0.00 0.00 55.06 54.79 3g6e s HIS 141 Cb -0.35 -1.55 0.02 0.00 1.11 0.00 0.00 32.58 31.81 3g6e s HIS 141 CO 0.40 0.50 1.08 0.34 -0.85 0.00 0.00 174.74 176.21 3g6e s ASP 142 N -3.68 5.39 0.31 1.40 -1.08 -1.26 -4.63 116.67 113.12 3g6e s ASP 142 Ca 0.34 1.26 0.03 0.00 -0.52 0.00 0.00 52.55 53.67 3g6e s ASP 142 Cb 0.04 -2.09 0.52 0.00 -1.46 0.00 0.00 42.92 39.92 3g6e s ASP 142 CO 0.18 -1.39 1.81 0.74 0.52 0.00 0.00 175.17 177.03 3g6e h THR 143 N -0.69 1.22 -0.02 1.71 2.02 -1.98 0.19 112.91 115.37 3g6e h THR 143 Ca -0.45 -0.97 -0.16 0.00 0.77 0.00 0.00 66.41 65.60 3g6e h THR 143 Cb 1.24 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 3g6e h THR 143 CO 0.62 0.32 -0.73 -0.08 0.37 0.00 0.00 175.52 176.02 3g6e h GLU 144 N 0.49 0.12 -0.20 6.66 4.81 -1.93 -2.67 114.58 121.86 3g6e h GLU 144 Ca 0.09 -0.10 -0.21 0.00 -0.13 0.00 0.00 59.36 59.01 3g6e h GLU 144 Cb 0.46 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.87 3g6e h GLU 144 CO 0.02 0.79 -0.71 0.78 -0.73 0.00 0.00 179.01 179.17 3g6e h GLY 145 N 1.88 0.91 1.92 1.92 0.00 -1.69 -2.86 103.07 105.14 3g6e h GLY 145 Ca -0.02 -1.21 -0.17 0.00 0.00 0.00 0.00 47.33 45.94 3g6e h GLY 145 CO 0.10 1.08 -0.77 1.19 0.00 0.00 0.00 176.54 178.15 3g6e h ILE 146 N 0.58 1.51 -0.51 2.60 -0.00 -1.02 -3.11 117.51 117.56 3g6e h ILE 146 Ca -0.03 -2.52 -0.05 0.00 -0.00 0.00 0.00 64.86 62.26 3g6e h ILE 146 Cb 1.33 2.37 -0.02 0.00 -0.00 0.00 0.00 36.82 40.50 3g6e h ILE 146 CO 0.15 0.73 0.13 0.44 -0.00 0.00 0.00 178.15 179.59 3g6e h ASP 147 N 0.04 0.78 -0.61 2.19 5.19 -1.50 0.50 116.42 123.02 3g6e h ASP 147 Ca -0.02 -0.23 -0.03 0.00 -0.62 0.00 0.00 57.03 56.14 3g6e h ASP 147 Cb 1.35 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 40.62 3g6e h ASP 147 CO 0.11 0.81 0.29 0.44 -3.12 0.00 0.00 179.24 177.76 3g6e h ASP 148 N 0.71 0.82 -0.02 6.45 3.32 -1.49 0.88 116.42 127.09 3g6e h ASP 148 Ca 0.16 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3g6e h ASP 148 Cb 0.33 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3g6e h ASP 148 CO 0.00 0.71 -0.05 0.25 -1.72 0.00 0.00 179.24 178.43 3g6e h LEU 149 N 0.90 0.08 -1.18 1.55 5.85 -1.39 -2.09 115.31 119.04 3g6e h LEU 149 Ca 0.22 -0.61 -0.08 0.00 0.84 0.00 0.00 57.88 58.25 3g6e h LEU 149 Cb 0.12 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3g6e h LEU 149 CO -0.03 0.68 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.40 3g6e h LEU 150 N -0.51 0.21 -0.47 2.25 3.38 -0.72 -2.03 115.31 117.42 3g6e h LEU 150 Ca -0.00 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 3g6e h LEU 150 Cb 0.67 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3g6e h LEU 150 CO 0.01 0.50 -0.72 -0.33 0.09 0.00 0.00 178.44 177.99 3g6e h GLU 151 N 0.19 0.00 0.00 1.13 5.08 -0.86 -2.79 114.58 117.33 3g6e h GLU 151 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3g6e h GLU 151 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3g6e h GLU 151 CO 0.04 0.72 0.00 0.00 -1.00 0.00 0.00 179.01 178.78 3g6e h ALA 152 N 1.28 1.00 -0.58 3.43 0.00 -0.98 -3.11 119.26 120.30 3g6e h ALA 152 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 3g6e h ALA 152 Cb 1.33 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.94 3g6e h ALA 152 CO 0.09 0.00 0.17 -1.33 0.00 0.00 0.00 179.25 178.19 3g6e n MET 153 N -2.83 2.01 0.00 0.00 2.81 -0.80 -1.03 117.12 117.28 3g6e n MET 153 Ca 0.04 -3.13 0.00 0.00 -1.81 0.00 0.00 57.70 52.80 3g6e n MET 153 Cb 0.45 -1.95 0.00 0.00 -0.71 0.00 0.00 33.22 31.01 3g6e n MET 153 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02