#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s72 s HIS 2 N 0.00 2.54 -0.22 1.12 3.76 0.00 -4.32 115.29 118.17 1s72 s HIS 2 Ca 0.00 -0.26 -0.14 0.00 -0.15 0.00 0.00 55.06 54.51 1s72 s HIS 2 Cb 0.00 -1.33 -0.04 0.00 1.11 0.00 0.00 32.58 32.32 1s72 s HIS 2 CO 0.00 0.41 0.29 0.00 -0.85 0.00 0.00 174.74 174.59 1s72 s ALA 3 N -1.24 3.58 -0.22 -1.40 0.00 0.11 -0.18 121.76 122.41 1s72 s ALA 3 Ca 0.19 -0.69 -0.05 0.00 0.00 0.00 0.00 51.96 51.41 1s72 s ALA 3 Cb -0.10 -2.50 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 1s72 s ALA 3 CO 0.11 -0.27 0.00 -0.51 0.00 0.00 0.00 175.76 175.09 1s72 s LEU 4 N 1.23 3.17 -0.11 0.00 1.43 0.12 -2.95 118.68 121.57 1s72 s LEU 4 Ca 0.14 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1s72 s LEU 4 Cb -0.14 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.28 1s72 s LEU 4 CO 0.07 0.02 -0.13 -0.69 0.23 0.00 0.00 176.35 175.84 1s72 s VAL 5 N 1.28 1.35 -0.08 -1.59 1.01 -0.10 -1.06 120.40 121.21 1s72 s VAL 5 Ca 0.04 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 1s72 s VAL 5 Cb -0.15 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 1s72 s VAL 5 CO 0.01 0.42 1.10 -1.58 0.00 0.00 0.00 175.10 175.04 1s72 s GLN 6 N 1.22 4.39 0.00 2.72 0.74 -0.95 -0.71 119.66 127.09 1s72 s GLN 6 Ca -0.02 1.53 0.05 0.00 0.05 0.00 0.00 55.36 56.96 1s72 s GLN 6 Cb -0.14 -3.54 -0.05 0.00 1.10 0.00 0.00 33.01 30.38 1s72 s GLN 6 CO -0.04 -0.37 0.22 1.28 -0.55 0.00 0.00 175.29 175.83 1s72 n LEU 7 N 5.03 0.27 -4.16 3.68 4.77 -0.68 -0.17 117.00 125.74 1s72 n LEU 7 Ca 0.10 -0.51 -0.28 0.00 -0.03 0.00 0.00 56.01 55.28 1s72 n LEU 7 Cb 0.48 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.40 1s72 n LEU 7 CO 0.54 0.07 -0.52 -0.13 -1.33 0.00 0.00 177.39 176.01 1s72 s ARG 8 N -1.44 2.13 1.09 3.23 0.52 -1.14 -4.93 118.95 118.42 1s72 s ARG 8 Ca 0.02 -0.69 -0.12 0.00 -0.52 0.00 0.00 55.73 54.42 1s72 s ARG 8 Cb 0.04 -1.78 0.24 0.00 0.52 0.00 0.00 34.95 33.97 1s72 s ARG 8 CO 0.20 0.23 1.06 0.20 0.02 0.00 0.00 175.30 177.01 1s72 s GLY 9 N 0.13 1.57 0.40 -3.53 0.00 -1.26 -4.92 107.32 99.71 1s72 s GLY 9 Ca -0.08 -0.08 0.21 0.00 0.00 0.00 0.00 44.72 44.77 1s72 s GLY 9 CO 0.04 0.57 1.76 1.05 0.00 0.00 0.00 173.10 176.52 1s72 h GLU 10 N -2.34 0.00 -6.41 2.90 4.11 -1.98 -3.42 114.58 107.44 1s72 h GLU 10 Ca -0.57 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.32 1s72 h GLU 10 Cb 1.32 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.59 1s72 h GLU 10 CO 0.51 0.31 1.11 0.08 0.07 0.00 0.00 179.01 181.09 1s72 s VAL 11 N -3.60 2.97 0.00 -1.06 1.01 -1.26 -1.68 120.40 116.78 1s72 s VAL 11 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1s72 s VAL 11 Cb 0.10 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1s72 s VAL 11 CO 0.67 -0.01 0.00 0.59 0.00 0.00 0.00 175.10 176.35 1s72 n ASN 12 N 6.41 -0.69 -4.81 3.32 3.02 -1.26 -5.02 115.26 116.23 1s72 n ASN 12 Ca 0.18 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.36 1s72 n ASN 12 Cb 0.40 -0.65 -0.06 0.00 -0.61 0.00 0.00 39.78 38.86 1s72 n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s72 s MET 13 N -0.25 4.32 0.38 3.52 0.23 -0.68 -4.99 119.30 121.83 1s72 s MET 13 Ca 0.00 0.93 -0.24 0.00 -1.03 0.00 0.00 55.69 55.35 1s72 s MET 13 Cb 0.00 -2.97 -0.13 0.00 -1.53 0.00 0.00 34.83 30.21 1s72 s MET 13 CO 0.00 0.44 0.74 0.72 -2.03 0.00 0.00 175.02 174.89 1s72 n HIS 14 N 0.93 0.25 -0.17 3.16 8.25 -1.26 -4.78 115.22 121.59 1s72 n HIS 14 Ca -0.03 0.64 -0.10 0.00 -0.26 0.00 0.00 57.72 57.97 1s72 n HIS 14 Cb 0.51 -2.09 0.00 0.00 1.12 0.00 0.00 29.99 29.53 1s72 n HIS 14 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1s72 h THR 15 N 1.22 1.27 0.00 1.59 2.02 -1.96 -1.27 112.91 115.77 1s72 h THR 15 Ca -0.40 -1.21 -0.03 0.00 0.77 0.00 0.00 66.41 65.54 1s72 h THR 15 Cb 1.38 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1s72 h THR 15 CO 0.55 0.42 -0.13 -2.24 0.37 0.00 0.00 175.52 174.50 1s72 h ASP 16 N 0.81 0.00 0.61 4.18 2.03 -1.99 0.30 116.42 122.36 1s72 h ASP 16 Ca 0.13 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 56.16 1s72 h ASP 16 Cb 0.63 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.13 1s72 h ASP 16 CO 0.04 0.13 -1.30 0.40 -1.03 0.00 0.00 179.24 177.48 1s72 h ILE 17 N 0.00 1.42 -0.29 4.15 2.04 -1.84 -2.94 117.51 120.05 1s72 h ILE 17 Ca -0.00 -3.02 -0.12 0.00 1.00 0.00 0.00 64.86 62.72 1s72 h ILE 17 Cb 0.41 2.89 -0.00 0.00 -0.74 0.00 0.00 36.82 39.38 1s72 h ILE 17 CO 0.02 0.87 -0.28 -0.61 0.00 0.00 0.00 178.15 178.15 1s72 h GLN 18 N 0.07 0.71 -0.14 2.37 4.15 -0.27 -2.65 115.11 119.35 1s72 h GLN 18 Ca -0.15 -0.37 -0.04 0.00 0.77 0.00 0.00 58.65 58.86 1s72 h GLN 18 Cb 1.97 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.66 1s72 h GLN 18 CO 0.19 0.99 -0.07 -0.44 -1.93 0.00 0.00 178.83 177.56 1s72 h ASP 19 N 0.46 0.20 -0.21 -0.69 3.32 -1.07 -1.91 116.42 116.52 1s72 h ASP 19 Ca 0.05 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1s72 h ASP 19 Cb 0.85 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 1s72 h ASP 19 CO 0.07 0.30 0.05 0.74 -1.72 0.00 0.00 179.24 178.68 1s72 h THR 20 N 0.21 1.21 -0.52 0.35 2.02 -1.30 -0.46 112.91 114.42 1s72 h THR 20 Ca 0.05 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 1s72 h THR 20 Cb 0.27 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1s72 h THR 20 CO 0.01 0.21 0.29 -0.07 0.37 0.00 0.00 175.52 176.33 1s72 h LEU 21 N 0.15 0.63 -1.02 2.58 3.38 -1.14 -1.47 115.31 118.42 1s72 h LEU 21 Ca 0.07 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1s72 h LEU 21 Cb 0.27 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1s72 h LEU 21 CO 0.00 0.51 -0.47 -0.33 0.09 0.00 0.00 178.44 178.24 1s72 h GLU 22 N 0.72 0.00 0.00 1.13 5.08 -0.95 -0.11 114.58 120.46 1s72 h GLU 22 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1s72 h GLU 22 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1s72 h GLU 22 CO -0.03 0.47 0.00 0.52 -1.00 0.00 0.00 179.01 178.97 1s72 h MET 23 N 0.00 0.00 -0.62 2.33 2.86 -0.06 -2.29 114.93 117.15 1s72 h MET 23 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1s72 h MET 23 Cb 0.87 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.53 1s72 h MET 23 CO 0.06 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.31 1s72 n LEU 24 N -2.55 5.34 -1.30 1.22 4.77 -0.67 -4.94 117.00 118.88 1s72 n LEU 24 Ca 0.04 -2.71 -0.16 0.00 -0.03 0.00 0.00 56.01 53.15 1s72 n LEU 24 Cb 0.40 -0.64 -0.06 0.00 -2.33 0.00 0.00 43.42 40.78 1s72 n LEU 24 CO 0.29 0.72 -0.16 0.59 -1.33 0.00 0.00 177.39 177.50 1s72 n ASN 25 N 0.88 -4.92 -4.41 -1.43 3.02 -0.86 -4.82 115.26 102.72 1s72 n ASN 25 Ca 0.27 0.35 -0.35 0.00 -0.03 0.00 0.00 54.58 54.82 1s72 n ASN 25 Cb 1.07 -3.86 -0.13 0.00 -0.61 0.00 0.00 39.78 36.25 1s72 n ASN 25 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1s72 s ILE 26 N -2.62 3.87 0.00 2.41 -4.36 -0.14 -4.70 121.20 115.66 1s72 s ILE 26 Ca 0.00 -0.33 0.00 0.00 -0.26 0.00 0.00 60.65 60.06 1s72 s ILE 26 Cb 0.00 -2.77 0.00 0.00 1.25 0.00 0.00 42.46 40.94 1s72 s ILE 26 CO 0.00 0.41 0.71 1.41 0.24 0.00 0.00 174.94 177.70 1s72 n HIS 27 N 4.55 0.00 -3.95 1.37 8.25 -1.26 -3.51 115.22 120.67 1s72 n HIS 27 Ca -0.17 -0.24 -0.09 0.00 -0.26 0.00 0.00 57.72 56.96 1s72 n HIS 27 Cb 0.51 -0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.53 1s72 n HIS 27 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1s72 s HIS 28 N -0.47 0.37 0.40 4.41 3.76 -1.26 -5.08 115.29 117.42 1s72 s HIS 28 Ca 0.00 -0.75 -0.25 0.00 -0.15 0.00 0.00 55.06 53.92 1s72 s HIS 28 Cb 0.00 -0.08 -0.09 0.00 1.11 0.00 0.00 32.58 33.52 1s72 s HIS 28 CO 0.00 -0.67 1.11 0.08 -0.85 0.00 0.00 174.74 174.41 1s72 s VAL 29 N -3.95 3.40 0.00 -0.90 1.01 -1.26 -2.82 120.40 115.88 1s72 s VAL 29 Ca 0.15 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.25 1s72 s VAL 29 Cb 0.04 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1s72 s VAL 29 CO -0.02 0.05 0.00 0.59 0.00 0.00 0.00 175.10 175.72 1s72 n ASN 30 N -0.02 -1.54 -4.78 3.32 3.02 0.76 -4.95 115.26 111.07 1s72 n ASN 30 Ca 0.05 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.20 1s72 n ASN 30 Cb 0.48 -0.99 -0.06 0.00 -0.61 0.00 0.00 39.78 38.60 1s72 n ASN 30 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1s72 s HIS 31 N -2.56 3.85 0.11 3.10 3.76 -1.13 -2.24 115.29 120.18 1s72 s HIS 31 Ca 0.00 1.53 0.09 0.00 -0.15 0.00 0.00 55.06 56.53 1s72 s HIS 31 Cb 0.00 -2.73 -0.04 0.00 1.11 0.00 0.00 32.58 30.93 1s72 s HIS 31 CO 0.00 0.48 -0.24 0.00 -0.85 0.00 0.00 174.74 174.13 1s72 s THR 33 N -1.06 0.18 -0.18 0.00 -1.32 -0.23 0.11 115.64 113.14 1s72 s THR 33 Ca 0.10 -1.71 -0.04 0.00 -1.21 0.00 0.00 61.69 58.83 1s72 s THR 33 Cb -0.10 -1.61 -0.02 0.00 -1.51 0.00 0.00 72.50 69.26 1s72 s THR 33 CO 0.05 -0.81 -0.03 -0.76 -2.21 0.00 0.00 174.62 170.86 1s72 s LEU 34 N -2.94 3.16 -0.09 9.08 1.43 -1.26 0.12 118.68 128.19 1s72 s LEU 34 Ca 0.11 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 1s72 s LEU 34 Cb 0.07 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.53 1s72 s LEU 34 CO -0.07 0.11 -0.14 0.54 0.23 0.00 0.00 176.35 177.01 1s72 s VAL 35 N 0.74 1.37 0.58 -1.59 0.11 0.75 -4.95 120.40 117.41 1s72 s VAL 35 Ca -0.01 -0.59 -0.20 0.00 -2.93 0.00 0.00 61.98 58.25 1s72 s VAL 35 Cb -0.14 -1.25 -0.04 0.00 -1.53 0.00 0.00 36.38 33.41 1s72 s VAL 35 CO 0.02 0.41 1.18 -2.65 -3.33 0.00 0.00 175.10 170.74 1s72 n PRO 36 N 3.99 1.25 -3.02 1.54 -0.02 -1.26 -0.82 135.00 136.67 1s72 n PRO 36 Ca -0.20 0.47 -0.44 0.00 -2.02 0.00 0.00 63.50 61.31 1s72 n PRO 36 Cb 0.52 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.59 1s72 n PRO 36 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1s72 s GLU 37 N -2.91 3.86 0.44 -0.52 2.02 -1.26 -4.74 118.70 115.59 1s72 s GLU 37 Ca 0.75 -2.31 0.05 0.00 0.02 0.00 0.00 54.97 53.49 1s72 s GLU 37 Cb -0.42 -4.89 -0.06 0.00 0.10 0.00 0.00 34.13 28.86 1s72 s GLU 37 CO 0.47 -1.67 0.03 0.99 0.02 0.00 0.00 175.26 175.10 1s72 s THR 38 N 1.58 1.81 0.05 3.63 2.01 -1.26 -4.97 115.64 118.48 1s72 s THR 38 Ca 0.35 -1.96 -0.22 0.00 0.31 0.00 0.00 61.69 60.16 1s72 s THR 38 Cb -0.05 -2.77 -0.14 0.00 0.01 0.00 0.00 72.50 69.55 1s72 s THR 38 CO -0.05 0.00 1.49 0.44 -0.69 0.00 0.00 174.62 175.81 1s72 h ASP 39 N 1.61 0.15 -0.34 3.53 3.32 -1.99 0.62 116.42 123.33 1s72 h ASP 39 Ca -0.44 -0.29 0.05 0.00 0.02 0.00 0.00 57.03 56.38 1s72 h ASP 39 Cb 1.26 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.72 1s72 h ASP 39 CO 0.78 0.40 0.05 0.00 -1.72 0.00 0.00 179.24 178.74 1s72 h ALA 40 N 0.76 0.34 -0.07 3.45 0.00 -1.97 -2.14 119.26 119.63 1s72 h ALA 40 Ca 0.03 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1s72 h ALA 40 Cb 0.32 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1s72 h ALA 40 CO 0.00 -0.36 -0.51 1.88 0.00 0.00 0.00 179.25 180.27 1s72 h TYR 41 N 0.16 0.24 -0.49 0.00 -1.99 -1.84 -3.17 116.97 109.87 1s72 h TYR 41 Ca 0.16 -0.08 -0.02 0.00 2.00 0.00 0.00 58.73 60.79 1s72 h TYR 41 Cb 0.19 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 38.85 1s72 h TYR 41 CO -0.20 0.66 0.22 -0.09 -0.00 0.00 0.00 178.16 178.76 1s72 h ARG 42 N 0.16 0.72 -0.91 4.88 2.43 -0.25 -2.04 114.38 119.37 1s72 h ARG 42 Ca 0.00 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1s72 h ARG 42 Cb 0.95 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.33 1s72 h ARG 42 CO 0.08 0.62 0.51 0.78 -1.51 0.00 0.00 179.97 180.44 1s72 h GLY 43 N 0.65 1.34 0.96 2.80 0.00 -1.42 -1.51 103.07 105.90 1s72 h GLY 43 Ca 0.17 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1s72 h GLY 43 CO -0.02 0.57 0.21 -0.33 0.00 0.00 0.00 176.54 176.98 1s72 h MET 44 N 1.26 0.62 0.00 4.80 2.86 -1.45 -1.83 114.93 121.20 1s72 h MET 44 Ca 0.32 -0.09 -0.11 0.00 -2.06 0.00 0.00 59.70 57.77 1s72 h MET 44 Cb 0.01 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1s72 h MET 44 CO -0.05 0.53 -0.50 -0.39 1.06 0.00 0.00 176.91 177.55 1s72 h VAL 45 N 0.56 1.32 -0.56 -2.22 -1.51 -1.12 -2.43 116.25 110.29 1s72 h VAL 45 Ca 0.15 -1.75 -0.10 0.00 -1.23 0.00 0.00 66.70 63.77 1s72 h VAL 45 Cb 0.11 1.95 -0.02 0.00 -2.13 0.00 0.00 31.29 31.20 1s72 h VAL 45 CO -0.02 0.49 -0.04 0.00 -1.23 0.00 0.00 177.57 176.78 1s72 h ALA 46 N 1.50 0.88 -0.18 5.19 0.00 -0.93 0.13 119.26 125.85 1s72 h ALA 46 Ca -0.01 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1s72 h ALA 46 Cb 0.91 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1s72 h ALA 46 CO 0.07 0.65 -0.29 -0.22 0.00 0.00 0.00 179.25 179.46 1s72 h LYS 47 N 0.90 0.34 -0.01 0.00 3.64 -1.08 -2.73 116.57 117.63 1s72 h LYS 47 Ca 0.16 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1s72 h LYS 47 Cb 0.57 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1s72 h LYS 47 CO 0.03 0.60 -0.27 0.28 -2.27 0.00 0.00 179.45 177.82 1s72 n VAL 48 N -4.11 0.00 -0.32 2.00 0.31 -0.94 -4.58 118.33 110.69 1s72 n VAL 48 Ca -0.01 -0.16 0.29 0.00 -0.01 0.00 0.00 64.34 64.45 1s72 n VAL 48 Cb 0.41 0.55 0.51 0.00 -0.91 0.00 0.00 33.84 34.40 1s72 n VAL 48 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1s72 n ASN 49 N -0.48 0.22 -0.38 4.52 2.85 0.42 -1.14 115.26 121.28 1s72 n ASN 49 Ca 0.12 1.21 0.14 0.00 -0.11 0.00 0.00 54.58 55.95 1s72 n ASN 49 Cb 0.37 -0.59 0.61 0.00 1.24 0.00 0.00 39.78 41.41 1s72 n ASN 49 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1s72 n ASP 50 N -4.53 1.19 -0.28 1.20 8.00 -1.26 -3.32 116.55 117.55 1s72 n ASP 50 Ca 0.31 -1.39 0.05 0.00 0.71 0.00 0.00 54.79 54.47 1s72 n ASP 50 Cb 1.16 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 42.33 1s72 n ASP 50 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1s72 n PHE 51 N -0.08 0.00 -4.12 1.24 3.01 -0.29 -4.94 117.46 112.29 1s72 n PHE 51 Ca 0.20 -0.50 -0.11 0.00 1.01 0.00 0.00 57.45 58.05 1s72 n PHE 51 Cb 0.30 -0.10 -0.08 0.00 -0.01 0.00 0.00 39.48 39.60 1s72 n PHE 51 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1s72 s VAL 52 N -1.44 0.00 -0.07 -4.37 0.11 -1.21 -1.68 120.40 111.74 1s72 s VAL 52 Ca 0.16 -1.76 0.03 0.00 -2.93 0.00 0.00 61.98 57.48 1s72 s VAL 52 Cb 0.14 -2.38 0.01 0.00 -1.53 0.00 0.00 36.38 32.61 1s72 s VAL 52 CO 0.01 0.00 -0.15 0.00 -3.33 0.00 0.00 175.10 171.64 1s72 s ALA 53 N -4.08 1.44 0.09 1.54 0.00 0.12 -1.03 121.76 119.84 1s72 s ALA 53 Ca 0.32 -0.54 -0.09 0.00 0.00 0.00 0.00 51.96 51.65 1s72 s ALA 53 Cb 0.04 -0.59 -0.00 0.00 0.00 0.00 0.00 23.12 22.57 1s72 s ALA 53 CO 0.11 0.17 0.20 -0.59 0.00 0.00 0.00 175.76 175.65 1s72 s PHE 54 N 0.50 0.15 0.00 0.00 -0.12 -0.92 -0.93 117.98 116.66 1s72 s PHE 54 Ca -0.13 -0.58 0.00 0.00 -0.05 0.00 0.00 56.93 56.17 1s72 s PHE 54 Cb -0.15 -0.05 0.00 0.00 -0.63 0.00 0.00 43.02 42.19 1s72 s PHE 54 CO 0.04 -0.56 0.00 0.41 -0.05 0.00 0.00 175.22 175.06 1s72 n GLY 55 N -0.07 1.16 3.62 1.99 0.00 -1.15 0.68 105.19 111.41 1s72 n GLY 55 Ca -0.15 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 1s72 n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s72 s GLU 56 N -2.00 4.03 0.62 1.61 2.12 -1.26 0.04 118.70 123.86 1s72 s GLU 56 Ca 0.00 0.50 -0.09 0.00 0.36 0.00 0.00 54.97 55.74 1s72 s GLU 56 Cb 0.00 -3.68 -0.01 0.00 0.26 0.00 0.00 34.13 30.69 1s72 s GLU 56 CO 0.00 -0.50 0.99 -1.25 -0.54 0.00 0.00 175.26 173.96 1s72 s PRO 57 N 2.61 3.23 0.61 4.30 0.04 -1.26 -4.17 135.00 140.36 1s72 s PRO 57 Ca 0.27 0.44 -0.09 0.00 0.04 0.00 0.00 61.00 61.66 1s72 s PRO 57 Cb -0.15 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 1s72 s PRO 57 CO 0.10 -0.69 0.98 -1.54 0.04 0.00 0.00 177.00 175.89 1s72 s SER 58 N -4.25 5.94 0.16 6.66 1.04 -1.26 -4.89 113.70 117.10 1s72 s SER 58 Ca 0.55 1.14 -0.17 0.00 0.48 0.00 0.00 55.95 57.94 1s72 s SER 58 Cb -0.11 -2.17 0.08 0.00 0.10 0.00 0.00 66.02 63.92 1s72 s SER 58 CO 0.50 -0.96 1.68 -0.61 0.98 0.00 0.00 173.24 174.83 1s72 h GLN 59 N -0.28 0.02 0.53 4.02 5.75 -1.97 -1.76 115.11 121.43 1s72 h GLN 59 Ca -0.45 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.03 1s72 h GLN 59 Cb 1.22 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.75 1s72 h GLN 59 CO 0.62 0.02 -0.48 0.93 -2.65 0.00 0.00 178.83 177.27 1s72 h GLU 60 N 0.02 -0.96 -0.61 1.69 5.08 -1.99 -1.99 114.58 115.82 1s72 h GLU 60 Ca 0.18 0.07 0.12 0.00 -1.00 0.00 0.00 59.36 58.72 1s72 h GLU 60 Cb 0.26 0.22 -0.12 0.00 0.50 0.00 0.00 28.75 29.62 1s72 h GLU 60 CO -0.36 -0.64 -0.17 1.15 -1.00 0.00 0.00 179.01 177.99 1s72 h THR 61 N -0.99 0.36 -0.98 1.13 2.02 -1.91 0.15 112.91 112.69 1s72 h THR 61 Ca -0.07 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.18 1s72 h THR 61 Cb 0.85 0.36 -0.07 0.00 -1.74 0.00 0.00 68.15 67.55 1s72 h THR 61 CO -0.03 0.00 0.63 0.25 0.37 0.00 0.00 175.52 176.74 1s72 h LEU 62 N -0.02 0.99 -0.61 2.58 5.85 -1.17 -1.17 115.31 121.76 1s72 h LEU 62 Ca 0.29 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.94 1s72 h LEU 62 Cb 0.47 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1s72 h LEU 62 CO -0.64 0.62 0.08 -0.33 -0.34 0.00 0.00 178.44 177.84 1s72 h GLU 63 N 1.12 1.02 -0.16 1.25 5.08 -0.00 0.31 114.58 123.20 1s72 h GLU 63 Ca 0.43 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1s72 h GLU 63 Cb 0.21 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1s72 h GLU 63 CO -0.17 0.96 0.06 1.15 -1.00 0.00 0.00 179.01 180.01 1s72 h THR 64 N 0.92 1.16 -0.42 1.13 2.02 -0.20 -0.96 112.91 116.55 1s72 h THR 64 Ca 0.18 -0.47 -0.14 0.00 0.77 0.00 0.00 66.41 66.75 1s72 h THR 64 Cb 0.45 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1s72 h THR 64 CO 0.02 0.15 -0.30 0.58 0.37 0.00 0.00 175.52 176.33 1s72 h VAL 65 N 0.11 1.27 0.08 3.16 2.07 -1.14 -0.47 116.25 121.33 1s72 h VAL 65 Ca 0.05 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.10 1s72 h VAL 65 Cb 0.17 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1s72 h VAL 65 CO -0.00 0.50 -0.04 -0.07 0.02 0.00 0.00 177.57 177.97 1s72 h LEU 66 N 0.79 -0.09 0.07 2.57 3.38 -0.27 0.64 115.31 122.40 1s72 h LEU 66 Ca 0.09 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1s72 h LEU 66 Cb 0.88 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1s72 h LEU 66 CO 0.08 -0.06 -0.09 0.00 0.09 0.00 0.00 178.44 178.47 1s72 h ALA 67 N 0.80 -0.15 -0.36 1.53 0.00 -1.11 -0.91 119.26 119.06 1s72 h ALA 67 Ca -0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1s72 h ALA 67 Cb 0.09 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1s72 h ALA 67 CO 0.02 -0.60 -0.34 0.00 0.00 0.00 0.00 179.25 178.33 1s72 h THR 68 N -0.18 1.28 0.00 0.00 1.03 -0.89 -3.39 112.91 110.76 1s72 h THR 68 Ca 0.01 -1.51 0.00 0.00 -0.01 0.00 0.00 66.41 64.90 1s72 h THR 68 Cb 0.19 1.44 0.00 0.00 -1.07 0.00 0.00 68.15 68.70 1s72 h THR 68 CO -0.04 0.50 -0.06 0.54 -0.01 0.00 0.00 175.52 176.45 1s72 n ARG 69 N -4.13 1.34 -3.25 0.00 5.12 0.22 -5.03 116.66 110.92 1s72 n ARG 69 Ca -0.03 -2.18 -0.33 0.00 -1.93 0.00 0.00 57.85 53.38 1s72 n ARG 69 Cb 0.52 -1.28 -0.06 0.00 -1.16 0.00 0.00 32.46 30.48 1s72 n ARG 69 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1s72 s ALA 70 N -2.18 3.46 0.06 7.54 0.00 -0.35 -3.94 121.76 126.35 1s72 s ALA 70 Ca 0.23 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.13 1s72 s ALA 70 Cb 0.20 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.65 1s72 s ALA 70 CO 0.02 0.41 -0.05 -1.21 0.00 0.00 0.00 175.76 174.93 1s72 s GLU 71 N -2.57 0.59 0.92 0.00 2.02 -1.26 -4.05 118.70 114.35 1s72 s GLU 71 Ca 0.47 -1.02 -0.12 0.00 0.02 0.00 0.00 54.97 54.32 1s72 s GLU 71 Cb -0.12 -0.04 0.14 0.00 0.10 0.00 0.00 34.13 34.20 1s72 s GLU 71 CO 0.19 -0.03 1.10 -2.14 0.02 0.00 0.00 175.26 174.40 1s72 s PRO 72 N -2.86 1.06 0.46 0.39 0.02 -1.26 -0.52 135.00 132.28 1s72 s PRO 72 Ca -0.00 0.60 0.17 0.00 0.02 0.00 0.00 61.00 61.79 1s72 s PRO 72 Cb -0.01 -1.80 1.13 0.00 0.02 0.00 0.00 34.50 33.84 1s72 s PRO 72 CO -0.04 -2.32 1.99 -0.07 -0.33 0.00 0.00 177.00 176.22 1s72 h LEU 73 N -1.60 0.26 -7.46 -5.54 4.07 -1.55 -3.28 115.31 100.21 1s72 h LEU 73 Ca -0.51 0.01 -0.23 0.00 0.08 0.00 0.00 57.88 57.23 1s72 h LEU 73 Cb 1.31 -0.05 -0.30 0.00 1.08 0.00 0.00 40.66 42.70 1s72 h LEU 73 CO 0.57 0.15 -0.58 -1.61 -1.08 0.00 0.00 178.44 175.90 1s72 s GLU 74 N -5.28 0.12 0.00 1.13 2.02 -1.26 -4.80 118.70 110.63 1s72 s GLU 74 Ca -0.07 0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.26 1s72 s GLU 74 Cb 0.20 -0.11 0.00 0.00 0.10 0.00 0.00 34.13 34.32 1s72 s GLU 74 CO 0.74 -0.13 0.00 0.41 0.02 0.00 0.00 175.26 176.30 1s72 n GLY 75 N 3.91 1.05 0.07 -1.39 0.00 -1.26 -4.81 105.19 102.76 1s72 n GLY 75 Ca -0.23 -2.11 -0.06 0.00 0.00 0.00 0.00 46.02 43.62 1s72 n GLY 75 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s72 h ASP 76 N 0.00 0.00 -0.08 1.61 3.32 -2.01 -3.40 116.42 115.86 1s72 h ASP 76 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1s72 h ASP 76 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1s72 h ASP 76 CO 0.00 0.96 0.02 0.00 -1.72 0.00 0.00 179.24 178.50 1s72 n ALA 77 N -2.37 -0.56 -1.92 3.45 0.00 -1.26 -4.85 120.51 113.00 1s72 n ALA 77 Ca -0.02 0.05 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 1s72 n ALA 77 Cb 0.94 -0.15 -0.04 0.00 0.00 0.00 0.00 19.45 20.19 1s72 n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1s72 s ASP 78 N 0.08 7.35 -1.05 0.00 -0.00 -1.26 -4.41 116.67 117.38 1s72 s ASP 78 Ca 0.08 2.10 -0.13 0.00 -0.00 0.00 0.00 52.55 54.61 1s72 s ASP 78 Cb -0.11 -2.61 0.22 0.00 -0.00 0.00 0.00 42.92 40.41 1s72 s ASP 78 CO 0.05 -0.12 1.12 -0.69 -0.00 0.00 0.00 175.17 175.54 1s72 s VAL 79 N -0.69 5.49 0.53 -1.27 1.01 -1.26 -4.74 120.40 119.48 1s72 s VAL 79 Ca 0.46 -2.75 0.07 0.00 0.00 0.00 0.00 61.98 59.75 1s72 s VAL 79 Cb -0.29 -4.68 0.07 0.00 0.00 0.00 0.00 36.38 31.47 1s72 s VAL 79 CO 0.36 -1.31 0.54 -0.90 0.00 0.00 0.00 175.10 173.79 1s72 n ASP 80 N 4.29 2.36 -0.13 3.32 5.68 -1.26 -4.39 116.55 126.41 1s72 n ASP 80 Ca 0.25 -2.63 -0.04 0.00 -0.50 0.00 0.00 54.79 51.87 1s72 n ASP 80 Cb 0.43 -0.19 0.02 0.00 -1.14 0.00 0.00 41.12 40.24 1s72 n ASP 80 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1s72 h ASP 81 N 0.39 -0.50 -0.32 -1.12 3.32 -1.94 0.76 116.42 117.01 1s72 h ASP 81 Ca -0.30 0.14 0.03 0.00 0.02 0.00 0.00 57.03 56.93 1s72 h ASP 81 Cb 1.18 0.31 -0.03 0.00 0.22 0.00 0.00 39.33 41.00 1s72 h ASP 81 CO 0.45 -0.17 0.12 -0.08 -1.72 0.00 0.00 179.24 177.84 1s72 h GLU 82 N -0.04 0.26 -0.03 3.56 4.81 -1.96 0.13 114.58 121.32 1s72 h GLU 82 Ca 0.21 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 1s72 h GLU 82 Cb 0.36 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 1s72 h GLU 82 CO -0.47 0.17 -0.16 2.35 -0.73 0.00 0.00 179.01 180.17 1s72 h TRP 83 N 0.27 -0.42 -0.78 0.92 7.01 -1.63 0.33 115.95 121.65 1s72 h TRP 83 Ca 0.14 0.02 0.11 0.00 2.11 0.00 0.00 58.89 61.27 1s72 h TRP 83 Cb 0.10 0.19 -0.08 0.00 -2.10 0.00 0.00 29.16 27.27 1s72 h TRP 83 CO -0.13 -0.23 0.39 0.28 -2.79 0.00 0.00 178.44 175.96 1s72 h VAL 84 N -0.25 0.81 -0.28 2.65 2.07 -0.36 0.43 116.25 121.32 1s72 h VAL 84 Ca 0.06 -0.22 -0.13 0.00 0.82 0.00 0.00 66.70 67.24 1s72 h VAL 84 Cb 0.33 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1s72 h VAL 84 CO -0.17 0.11 -0.33 0.00 0.02 0.00 0.00 177.57 177.20 1s72 h ALA 85 N 1.48 0.41 -0.00 1.67 0.00 0.06 0.11 119.26 123.00 1s72 h ALA 85 Ca 0.40 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1s72 h ALA 85 Cb 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1s72 h ALA 85 CO -0.30 0.47 -0.02 0.39 0.00 0.00 0.00 179.25 179.78 1s72 n GLU 86 N -4.23 0.55 0.00 0.00 1.02 0.11 -4.17 120.64 113.92 1s72 n GLU 86 Ca -0.04 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1s72 n GLU 86 Cb 0.50 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1s72 n GLU 86 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1s72 n HIS 87 N -1.19 0.00 -4.27 -0.32 8.25 0.09 -5.05 115.22 112.73 1s72 n HIS 87 Ca 0.16 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.42 1s72 n HIS 87 Cb 0.23 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 1s72 n HIS 87 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1s72 n THR 88 N -0.74 0.00 0.48 1.59 -1.04 0.38 -4.87 114.28 110.08 1s72 n THR 88 Ca 0.00 -1.53 0.12 0.00 -2.04 0.00 0.00 64.05 60.61 1s72 n THR 88 Cb 0.00 0.16 0.27 0.00 -1.82 0.00 0.00 70.33 68.94 1s72 n THR 88 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1s72 h ASP 89 N 0.69 0.00 -2.50 8.00 3.32 -1.90 -3.45 116.42 120.57 1s72 h ASP 89 Ca -0.26 -0.05 -0.44 0.00 0.02 0.00 0.00 57.03 56.30 1s72 h ASP 89 Cb 0.83 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.42 1s72 h ASP 89 CO 0.43 0.02 -0.08 -0.31 -1.72 0.00 0.00 179.24 177.58 1s72 s TYR 90 N -3.16 3.00 -0.93 4.55 1.51 -1.26 -5.03 117.35 116.03 1s72 s TYR 90 Ca 0.08 0.05 0.22 0.00 -1.01 0.00 0.00 57.07 56.41 1s72 s TYR 90 Cb 0.11 -2.53 -0.08 0.00 -0.11 0.00 0.00 41.96 39.34 1s72 s TYR 90 CO 0.66 -0.61 0.98 -0.25 -1.11 0.00 0.00 175.55 175.22 1s72 n ASP 91 N -2.18 0.84 -3.70 2.29 8.00 -1.26 -3.96 116.55 116.58 1s72 n ASP 91 Ca 0.05 -0.77 -0.03 0.00 0.71 0.00 0.00 54.79 54.75 1s72 n ASP 91 Cb 0.59 0.89 -0.01 0.00 -0.02 0.00 0.00 41.12 42.57 1s72 n ASP 91 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1s72 s ASP 92 N -3.12 -0.17 0.23 -2.24 -4.77 -1.26 -4.26 116.67 101.07 1s72 s ASP 92 Ca 0.08 -0.31 -0.09 0.00 -3.30 0.00 0.00 52.55 48.93 1s72 s ASP 92 Cb 0.16 0.41 0.36 0.00 -1.09 0.00 0.00 42.92 42.76 1s72 s ASP 92 CO 0.84 -0.75 1.66 0.40 0.70 0.00 0.00 175.17 178.02 1s72 h ILE 93 N 2.00 0.48 -0.75 2.11 2.04 -1.85 -0.99 117.51 120.55 1s72 h ILE 93 Ca -0.25 -0.05 0.12 0.00 1.00 0.00 0.00 64.86 65.68 1s72 h ILE 93 Cb 1.22 0.31 -0.09 0.00 -0.74 0.00 0.00 36.82 37.53 1s72 h ILE 93 CO 0.26 0.03 0.34 0.28 0.00 0.00 0.00 178.15 179.06 1s72 h SER 94 N 0.15 0.39 -0.69 1.72 0.02 -1.96 0.32 113.55 113.50 1s72 h SER 94 Ca 0.36 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.36 1s72 h SER 94 Cb 0.60 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 1s72 h SER 94 CO -0.54 0.18 0.31 1.23 -1.14 0.00 0.00 176.83 176.87 1s72 h GLY 95 N 0.53 1.11 0.67 -3.77 0.00 -1.59 -0.82 103.07 99.19 1s72 h GLY 95 Ca 0.40 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 1s72 h GLY 95 CO -0.34 0.53 -0.10 -2.00 0.00 0.00 0.00 176.54 174.63 1s72 h LEU 96 N 1.02 0.26 -0.20 3.11 5.85 -0.67 -2.43 115.31 122.25 1s72 h LEU 96 Ca 0.24 -0.48 0.06 0.00 0.84 0.00 0.00 57.88 58.54 1s72 h LEU 96 Cb 0.16 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 1s72 h LEU 96 CO -0.03 0.69 -0.26 0.00 -0.34 0.00 0.00 178.44 178.51 1s72 h ALA 97 N 0.58 -0.19 -0.87 1.25 0.00 -0.18 0.05 119.26 119.91 1s72 h ALA 97 Ca 0.02 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1s72 h ALA 97 Cb 0.61 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1s72 h ALA 97 CO 0.02 -0.70 0.53 0.35 0.00 0.00 0.00 179.25 179.46 1s72 h PHE 98 N -0.29 0.98 -0.71 0.00 3.57 -1.17 -0.08 116.94 119.25 1s72 h PHE 98 Ca 0.12 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1s72 h PHE 98 Cb 0.47 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1s72 h PHE 98 CO -0.39 0.48 0.32 0.00 -2.23 0.00 0.00 178.31 176.50 1s72 h ALA 99 N 1.42 0.92 0.24 2.41 0.00 -0.78 -0.33 119.26 123.14 1s72 h ALA 99 Ca 0.38 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1s72 h ALA 99 Cb 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1s72 h ALA 99 CO -0.19 0.50 -0.12 -0.07 0.00 0.00 0.00 179.25 179.38 1s72 h LEU 100 N 1.00 -0.28 -1.06 0.00 3.38 -0.20 0.20 115.31 118.36 1s72 h LEU 100 Ca 0.24 -0.13 0.11 0.00 0.09 0.00 0.00 57.88 58.19 1s72 h LEU 100 Cb 0.15 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 1s72 h LEU 100 CO -0.03 -0.03 0.62 -0.07 0.09 0.00 0.00 178.44 179.03 1s72 h LEU 101 N -0.53 0.91 -1.06 1.67 3.38 -0.90 0.41 115.31 119.20 1s72 h LEU 101 Ca -0.03 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s72 h LEU 101 Cb 0.39 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1s72 h LEU 101 CO 0.05 0.51 0.00 -1.54 0.09 0.00 0.00 178.44 177.56 1s72 n SER 102 N -4.58 1.48 -4.14 -0.43 3.41 -0.15 -4.20 113.62 105.02 1s72 n SER 102 Ca 0.18 -2.09 -0.31 0.00 -0.26 0.00 0.00 58.87 56.39 1s72 n SER 102 Cb 0.32 -0.28 -0.04 0.00 -0.26 0.00 0.00 64.21 63.96 1s72 n SER 102 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1s72 n GLU 103 N 0.11 -2.79 0.03 4.33 1.02 0.14 -4.86 120.64 118.63 1s72 n GLU 103 Ca 0.07 0.33 0.11 0.00 -0.02 0.00 0.00 57.16 57.65 1s72 n GLU 103 Cb 0.28 -4.61 -0.09 0.00 -0.02 0.00 0.00 31.44 27.00 1s72 n GLU 103 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1s72 n GLU 104 N -4.41 0.52 -2.30 3.49 4.07 0.66 -5.01 120.64 117.66 1s72 n GLU 104 Ca -0.15 -0.07 -0.05 0.00 -0.06 0.00 0.00 57.16 56.84 1s72 n GLU 104 Cb 0.60 -1.61 -0.00 0.00 -0.06 0.00 0.00 31.44 30.38 1s72 n GLU 104 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 1s72 n THR 105 N -2.24 0.00 -3.94 6.31 5.66 -1.23 -5.03 114.28 113.81 1s72 n THR 105 Ca -0.01 -0.55 -0.09 0.00 -3.05 0.00 0.00 64.05 60.35 1s72 n THR 105 Cb 0.52 0.41 -0.09 0.00 -1.55 0.00 0.00 70.33 69.62 1s72 n THR 105 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1s72 s THR 106 N -2.62 0.15 0.30 1.09 -4.23 -1.26 -4.63 115.64 104.44 1s72 s THR 106 Ca 0.09 -1.20 0.05 0.00 -1.18 0.00 0.00 61.69 59.45 1s72 s THR 106 Cb -0.01 -1.05 0.29 0.00 1.34 0.00 0.00 72.50 73.07 1s72 s THR 106 CO 0.06 -0.66 1.72 -0.07 -0.54 0.00 0.00 174.62 175.14 1s72 h LEU 107 N 3.44 0.52 0.19 4.79 3.38 -1.91 -1.25 115.31 124.48 1s72 h LEU 107 Ca -0.33 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1s72 h LEU 107 Cb 1.18 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1s72 h LEU 107 CO 0.53 0.10 -0.09 0.03 0.09 0.00 0.00 178.44 179.10 1s72 h ARG 108 N 0.53 -0.25 -1.09 1.13 3.08 -1.83 0.53 114.38 116.47 1s72 h ARG 108 Ca 0.57 0.02 0.31 0.00 0.07 0.00 0.00 59.98 60.95 1s72 h ARG 108 Cb 1.03 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 31.08 1s72 h ARG 108 CO -0.47 -0.02 0.77 0.93 -1.07 0.00 0.00 179.97 180.11 1s72 h GLU 109 N -0.45 0.10 -0.73 0.04 5.08 -1.56 0.44 114.58 117.50 1s72 h GLU 109 Ca -0.03 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 1s72 h GLU 109 Cb 0.35 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.47 1s72 h GLU 109 CO 0.04 0.06 0.22 1.04 -1.00 0.00 0.00 179.01 179.37 1s72 n GLN 110 N -4.31 3.94 -2.09 2.33 1.13 -0.93 -4.92 117.38 112.53 1s72 n GLN 110 Ca 0.24 -3.03 -0.13 0.00 -1.94 0.00 0.00 57.00 52.14 1s72 n GLN 110 Cb 1.10 -2.22 -0.02 0.00 0.11 0.00 0.00 30.24 29.22 1s72 n GLN 110 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1s72 n GLY 111 N 0.03 0.11 3.46 1.08 0.00 0.16 -4.74 105.19 105.28 1s72 n GLY 111 Ca 0.38 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1s72 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s72 s LEU 112 N -3.66 2.60 0.32 0.99 1.43 0.18 -1.57 118.68 118.98 1s72 s LEU 112 Ca 0.00 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 52.30 1s72 s LEU 112 Cb 0.00 -1.50 -0.12 0.00 0.03 0.00 0.00 46.19 44.61 1s72 s LEU 112 CO 0.00 0.22 1.51 -0.24 0.23 0.00 0.00 176.35 178.07 1s72 n SER 113 N 1.23 3.62 0.00 2.29 2.88 0.32 -2.91 113.62 121.04 1s72 n SER 113 Ca -0.16 1.18 0.06 0.00 -1.33 0.00 0.00 58.87 58.62 1s72 n SER 113 Cb 0.52 -1.58 0.31 0.00 -0.75 0.00 0.00 64.21 62.71 1s72 n SER 113 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1s72 n PRO 114 N 1.35 0.16 -4.81 -1.46 -0.02 -1.26 -4.70 135.00 124.25 1s72 n PRO 114 Ca 0.06 0.18 -0.33 0.00 -2.02 0.00 0.00 63.50 61.39 1s72 n PRO 114 Cb 0.37 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.21 1s72 n PRO 114 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1s72 s THR 115 N -2.62 3.10 -0.40 3.45 2.01 -1.26 -4.38 115.64 115.53 1s72 s THR 115 Ca 0.11 -0.67 -0.11 0.00 0.31 0.00 0.00 61.69 61.33 1s72 s THR 115 Cb 0.08 -2.27 0.05 0.00 0.01 0.00 0.00 72.50 70.38 1s72 s THR 115 CO 0.19 0.55 0.25 -0.76 -0.69 0.00 0.00 174.62 174.17 1s72 s LEU 116 N -0.13 4.98 -0.90 4.42 1.43 0.31 -4.69 118.68 124.09 1s72 s LEU 116 Ca -0.01 -1.19 -0.25 0.00 -1.03 0.00 0.00 54.13 51.66 1s72 s LEU 116 Cb -0.14 -2.04 0.04 0.00 0.03 0.00 0.00 46.19 44.09 1s72 s LEU 116 CO 0.03 -0.47 1.38 -0.13 0.23 0.00 0.00 176.35 177.40 1s72 s ARG 117 N 1.53 3.41 0.90 1.70 0.52 -1.25 -0.65 118.95 125.11 1s72 s ARG 117 Ca 0.03 -0.74 -0.12 0.00 -0.52 0.00 0.00 55.73 54.38 1s72 s ARG 117 Cb -0.21 -4.86 0.13 0.00 0.52 0.00 0.00 34.95 30.54 1s72 s ARG 117 CO 0.05 -2.19 1.12 -0.51 0.02 0.00 0.00 175.30 173.80 1s72 s LEU 118 N 5.34 2.05 0.22 2.53 1.43 -0.95 -4.92 118.68 124.37 1s72 s LEU 118 Ca 0.42 1.05 0.05 0.00 -1.03 0.00 0.00 54.13 54.61 1s72 s LEU 118 Cb -0.03 -3.40 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 1s72 s LEU 118 CO 0.01 -2.54 0.32 -2.28 0.23 0.00 0.00 176.35 172.09 1s72 s HIS 119 N -3.21 3.42 0.77 0.29 5.65 -0.85 -4.82 115.29 116.53 1s72 s HIS 119 Ca 0.63 0.00 -0.15 0.00 0.25 0.00 0.00 55.06 55.80 1s72 s HIS 119 Cb -0.15 -1.58 0.05 0.00 -1.18 0.00 0.00 32.58 29.72 1s72 s HIS 119 CO 0.54 0.47 1.19 -2.30 -0.65 0.00 0.00 174.74 173.98 1s72 n PRO 120 N -1.16 0.41 -2.09 2.88 -0.02 -1.26 -4.48 135.00 129.28 1s72 n PRO 120 Ca -0.08 0.21 -0.43 0.00 -2.02 0.00 0.00 63.50 61.18 1s72 n PRO 120 Cb 0.56 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 1s72 n PRO 120 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1s72 s PRO 121 N -3.86 3.80 0.17 0.52 0.04 -1.26 -4.46 135.00 129.95 1s72 s PRO 121 Ca 0.75 1.70 -0.32 0.00 0.04 0.00 0.00 61.00 63.18 1s72 s PRO 121 Cb -0.32 -4.04 -0.11 0.00 0.04 0.00 0.00 34.50 30.07 1s72 s PRO 121 CO 0.49 -1.29 1.68 1.03 0.04 0.00 0.00 177.00 178.95 1s72 s ARG 122 N 4.69 4.16 0.00 4.56 0.52 0.12 -0.14 118.95 132.85 1s72 s ARG 122 Ca 0.72 2.51 0.00 0.00 -0.52 0.00 0.00 55.73 58.44 1s72 s ARG 122 Cb -0.26 -3.20 0.00 0.00 0.52 0.00 0.00 34.95 32.01 1s72 s ARG 122 CO 0.29 -0.72 0.00 0.41 0.02 0.00 0.00 175.30 175.31 1s72 n GLY 123 N 3.95 1.13 0.28 -3.53 0.00 -1.26 -4.88 105.19 100.87 1s72 n GLY 123 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 1s72 n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s72 n GLY 124 N -2.00 -2.96 2.26 -0.02 0.00 0.80 -5.02 105.19 98.25 1s72 n GLY 124 Ca 0.00 -1.26 -0.14 0.00 0.00 0.00 0.00 46.02 44.62 1s72 n GLY 124 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1s72 n HIS 125 N -1.89 -3.24 1.85 1.61 1.44 -1.26 -4.97 115.22 108.76 1s72 n HIS 125 Ca -0.00 -0.98 0.11 0.00 -2.01 0.00 0.00 57.72 54.83 1s72 n HIS 125 Cb 0.10 -0.45 0.58 0.00 0.12 0.00 0.00 29.99 30.34 1s72 n HIS 125 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1s72 n ASP 126 N -3.02 0.34 0.00 4.39 8.00 -1.26 -5.00 116.55 120.01 1s72 n ASP 126 Ca 0.10 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 54.19 1s72 n ASP 126 Cb 0.34 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1s72 n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s72 n GLY 127 N 0.89 2.85 1.75 0.44 0.00 -1.26 -4.25 105.19 105.61 1s72 n GLY 127 Ca 0.16 -1.61 -0.14 0.00 0.00 0.00 0.00 46.02 44.44 1s72 n GLY 127 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1s72 n VAL 128 N 0.80 2.90 0.11 1.61 0.24 -1.26 -1.11 118.33 121.62 1s72 n VAL 128 Ca 0.00 -2.24 0.01 0.00 -2.04 0.00 0.00 64.34 60.07 1s72 n VAL 128 Cb 0.00 -0.40 0.00 0.00 -1.47 0.00 0.00 33.84 31.98 1s72 n VAL 128 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1s72 n LYS 129 N -1.05 1.23 -3.88 7.34 5.02 -1.26 -4.99 118.16 120.57 1s72 n LYS 129 Ca 0.47 -0.47 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1s72 n LYS 129 Cb 1.38 -0.93 -0.10 0.00 -0.02 0.00 0.00 35.03 35.36 1s72 n LYS 129 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1s72 s HIS 130 N -0.48 0.07 0.91 2.13 3.76 -1.26 -5.07 115.29 115.34 1s72 s HIS 130 Ca 0.02 -0.20 -0.14 0.00 -0.15 0.00 0.00 55.06 54.59 1s72 s HIS 130 Cb 0.02 -0.06 0.16 0.00 1.11 0.00 0.00 32.58 33.81 1s72 s HIS 130 CO 0.05 -0.31 1.27 -1.25 -0.85 0.00 0.00 174.74 173.65 1s72 s PRO 131 N -1.64 1.06 0.14 8.40 0.04 -1.26 -2.30 135.00 139.44 1s72 s PRO 131 Ca -0.13 -0.30 -0.18 0.00 0.04 0.00 0.00 61.00 60.44 1s72 s PRO 131 Cb -0.06 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.59 1s72 s PRO 131 CO 0.00 -2.14 1.74 0.28 0.04 0.00 0.00 177.00 176.92 1s72 h VAL 132 N -1.43 0.88 0.00 -0.36 2.07 -1.41 0.25 116.25 116.26 1s72 h VAL 132 Ca -0.45 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1s72 h VAL 132 Cb 1.26 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1s72 h VAL 132 CO 0.46 0.03 0.03 0.29 0.02 0.00 0.00 177.57 178.40 1s72 n LYS 133 N -5.07 0.00 -0.04 1.57 5.02 -1.26 -0.22 118.16 118.16 1s72 n LYS 133 Ca -0.01 0.35 0.02 0.00 -2.02 0.00 0.00 58.31 56.65 1s72 n LYS 133 Cb 0.11 -1.53 0.04 0.00 -0.02 0.00 0.00 35.03 33.63 1s72 n LYS 133 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1s72 n GLU 134 N -1.34 1.72 -0.12 1.97 1.02 -0.73 -4.98 120.64 118.18 1s72 n GLU 134 Ca 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 57.16 55.80 1s72 n GLU 134 Cb 0.03 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 1s72 n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s72 n GLY 135 N -0.03 0.56 0.00 0.62 0.00 0.70 -4.90 105.19 102.15 1s72 n GLY 135 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1s72 n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s72 n GLY 136 N -2.00 -0.12 0.23 -0.02 0.00 0.81 -4.72 105.19 99.36 1s72 n GLY 136 Ca 0.00 -1.80 0.03 0.00 0.00 0.00 0.00 46.02 44.25 1s72 n GLY 136 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1s72 n GLN 137 N -0.75 0.03 -3.11 1.61 -0.06 -0.26 -3.65 117.38 111.19 1s72 n GLN 137 Ca 0.00 -0.91 -0.32 0.00 -2.00 0.00 0.00 57.00 53.77 1s72 n GLN 137 Cb 0.00 -1.11 -0.06 0.00 -4.06 0.00 0.00 30.24 25.01 1s72 n GLN 137 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1s72 s LEU 138 N -0.50 4.05 0.00 1.69 1.43 -1.11 -4.56 118.68 119.68 1s72 s LEU 138 Ca 0.07 1.31 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 1s72 s LEU 138 Cb 0.05 -4.12 0.00 0.00 0.03 0.00 0.00 46.19 42.15 1s72 s LEU 138 CO 0.07 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.04 1s72 n GLY 139 N -0.38 -1.82 3.76 -3.19 0.00 -0.19 -1.74 105.19 101.61 1s72 n GLY 139 Ca 0.04 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 1s72 n GLY 139 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s72 s LYS 140 N 0.00 4.30 0.35 1.61 2.20 -1.26 -2.17 119.74 124.77 1s72 s LYS 140 Ca 0.00 2.26 0.09 0.00 -0.36 0.00 0.00 55.97 57.97 1s72 s LYS 140 Cb 0.00 -3.09 -0.07 0.00 -1.51 0.00 0.00 37.83 33.16 1s72 s LYS 140 CO 0.00 -0.32 -0.07 -1.01 -0.36 0.00 0.00 175.35 173.58 1s72 s HIS 141 N -0.48 2.43 0.74 4.03 3.76 0.21 -4.75 115.29 121.23 1s72 s HIS 141 Ca 0.55 -0.51 -0.11 0.00 -0.15 0.00 0.00 55.06 54.84 1s72 s HIS 141 Cb -0.41 -1.44 0.04 0.00 1.11 0.00 0.00 32.58 31.88 1s72 s HIS 141 CO 0.48 0.56 1.07 -0.51 -0.85 0.00 0.00 174.74 175.49 1s72 s ASP 142 N -3.63 4.94 0.31 1.40 1.01 -1.26 -4.54 116.67 114.90 1s72 s ASP 142 Ca 0.33 1.57 0.03 0.00 0.71 0.00 0.00 52.55 55.19 1s72 s ASP 142 Cb 0.03 -2.38 0.51 0.00 1.01 0.00 0.00 42.92 42.09 1s72 s ASP 142 CO 0.17 -1.72 1.81 0.74 0.21 0.00 0.00 175.17 176.39 1s72 h THR 143 N -0.91 1.22 -0.05 -1.27 2.02 -1.98 0.66 112.91 112.60 1s72 h THR 143 Ca -0.45 -0.96 -0.16 0.00 0.77 0.00 0.00 66.41 65.61 1s72 h THR 143 Cb 1.23 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 1s72 h THR 143 CO 0.56 0.32 -0.68 -0.08 0.37 0.00 0.00 175.52 176.01 1s72 h GLU 144 N 0.51 0.24 -0.18 6.66 4.81 -1.92 -1.85 114.58 122.86 1s72 h GLU 144 Ca 0.10 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 1s72 h GLU 144 Cb 0.45 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1s72 h GLU 144 CO 0.02 0.83 -0.06 0.78 -0.73 0.00 0.00 179.01 179.86 1s72 h GLY 145 N 1.55 0.39 0.90 1.92 0.00 -1.40 -2.36 103.07 104.08 1s72 h GLY 145 Ca -0.02 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 1s72 h GLY 145 CO 0.11 0.31 0.04 -2.22 0.00 0.00 0.00 176.54 174.77 1s72 h ILE 146 N 0.07 1.24 -0.65 2.60 1.08 0.22 -2.97 117.51 119.10 1s72 h ILE 146 Ca 0.04 -0.84 0.11 0.00 -0.39 0.00 0.00 64.86 63.78 1s72 h ILE 146 Cb 0.51 1.17 -0.08 0.00 -3.07 0.00 0.00 36.82 35.36 1s72 h ILE 146 CO 0.02 0.28 0.23 0.44 -0.69 0.00 0.00 178.15 178.43 1s72 h ASP 147 N 0.35 0.21 -0.14 1.72 5.19 -1.33 0.18 116.42 122.60 1s72 h ASP 147 Ca 0.10 0.09 0.01 0.00 -0.62 0.00 0.00 57.03 56.61 1s72 h ASP 147 Cb 0.36 0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.94 1s72 h ASP 147 CO 0.01 0.11 0.04 0.44 -3.12 0.00 0.00 179.24 176.72 1s72 h ASP 148 N 0.40 0.04 0.35 6.45 3.32 -1.30 0.13 116.42 125.82 1s72 h ASP 148 Ca 0.34 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.39 1s72 h ASP 148 Cb 0.46 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 1s72 h ASP 148 CO -0.35 0.05 -0.20 0.25 -1.72 0.00 0.00 179.24 177.27 1s72 h LEU 149 N 0.11 -0.49 -0.90 1.55 5.85 -1.15 -0.39 115.31 119.89 1s72 h LEU 149 Ca 0.06 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.88 1s72 h LEU 149 Cb 0.04 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 1s72 h LEU 149 CO -0.07 -0.33 0.56 -0.07 -0.34 0.00 0.00 178.44 178.20 1s72 h LEU 150 N -0.52 0.86 -0.78 2.25 3.38 -0.53 -1.49 115.31 118.48 1s72 h LEU 150 Ca -0.04 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1s72 h LEU 150 Cb 0.42 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1s72 h LEU 150 CO 0.05 0.53 -0.52 -0.33 0.09 0.00 0.00 178.44 178.26 1s72 h GLU 151 N 0.99 0.23 0.00 1.13 5.08 -0.48 -1.01 114.58 120.52 1s72 h GLU 151 Ca 0.41 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1s72 h GLU 151 Cb 0.25 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1s72 h GLU 151 CO -0.20 0.70 0.00 0.00 -1.00 0.00 0.00 179.01 178.51 1s72 h ALA 152 N 1.28 1.00 -0.27 3.43 0.00 -0.24 -2.67 119.26 121.79 1s72 h ALA 152 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s72 h ALA 152 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1s72 h ALA 152 CO 0.08 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 178.00 1s72 n MET 153 N -2.35 2.84 0.00 0.00 2.81 -0.64 0.11 117.12 119.89 1s72 n MET 153 Ca 0.04 -2.50 0.00 0.00 -1.81 0.00 0.00 57.70 53.43 1s72 n MET 153 Cb 0.35 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 1s72 n MET 153 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35