#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbx s GLN 2 N 0.00 3.12 -0.28 3.17 -2.07 -1.26 -5.02 119.66 117.32 2wbx s GLN 2 Ca 0.00 1.41 0.03 0.00 -1.82 0.00 0.00 55.36 54.98 2wbx s GLN 2 Cb 0.00 -1.99 0.07 0.00 -1.09 0.00 0.00 33.01 30.00 2wbx s GLN 2 CO 0.00 -1.00 -0.04 0.08 -1.32 0.00 0.00 175.29 173.01 2wbx s VAL 3 N -2.18 2.02 -0.25 3.63 1.01 -1.26 -5.08 120.40 118.29 2wbx s VAL 3 Ca 0.68 -1.78 -0.23 0.00 0.00 0.00 0.00 61.98 60.66 2wbx s VAL 3 Cb -0.20 -2.29 0.06 0.00 0.00 0.00 0.00 36.38 33.95 2wbx s VAL 3 CO 0.35 -0.26 0.66 0.21 0.00 0.00 0.00 175.10 176.06 2wbx s ASN 4 N 1.12 -0.69 -0.04 3.32 2.47 -1.26 -5.10 114.94 114.75 2wbx s ASN 4 Ca -0.01 1.33 0.05 0.00 0.42 0.00 0.00 52.86 54.65 2wbx s ASN 4 Cb -0.19 1.35 -0.02 0.00 -1.45 0.00 0.00 41.25 40.93 2wbx s ASN 4 CO -0.07 -0.23 -0.18 -0.13 -3.72 0.00 0.00 177.10 172.77 2wbx s ARG 5 N 0.39 2.40 0.53 0.43 0.52 -1.26 -5.12 118.95 116.84 2wbx s ARG 5 Ca -0.00 -0.77 -0.18 0.00 -0.52 0.00 0.00 55.73 54.26 2wbx s ARG 5 Cb -0.05 -2.28 -0.06 0.00 0.52 0.00 0.00 34.95 33.08 2wbx s ARG 5 CO 0.00 0.59 1.04 -0.51 0.02 0.00 0.00 175.30 176.45 2wbx s LEU 6 N -0.66 3.68 0.88 2.53 1.43 -1.26 -4.65 118.68 120.63 2wbx s LEU 6 Ca 0.10 1.86 -0.12 0.00 -1.03 0.00 0.00 54.13 54.94 2wbx s LEU 6 Cb -0.11 -4.55 0.12 0.00 0.03 0.00 0.00 46.19 41.69 2wbx s LEU 6 CO 0.00 -0.94 1.10 -2.16 0.23 0.00 0.00 176.35 174.58 2wbx s PRO 7 N -3.65 1.37 0.00 1.29 0.04 -1.26 -4.69 135.00 128.11 2wbx s PRO 7 Ca 0.65 0.69 -0.05 0.00 0.04 0.00 0.00 61.00 62.33 2wbx s PRO 7 Cb -0.16 -1.83 -0.00 0.00 0.04 0.00 0.00 34.50 32.55 2wbx s PRO 7 CO 0.28 -2.13 0.09 -0.59 0.04 0.00 0.00 177.00 174.69 2wbx s PHE 8 N -3.03 0.08 0.48 0.56 -0.12 -0.61 -4.76 117.98 110.58 2wbx s PHE 8 Ca 0.63 -0.19 -0.21 0.00 -0.05 0.00 0.00 56.93 57.11 2wbx s PHE 8 Cb -0.17 -0.08 -0.08 0.00 -0.63 0.00 0.00 43.02 42.06 2wbx s PHE 8 CO 0.56 -0.23 1.05 -0.06 -0.05 0.00 0.00 175.22 176.49 2wbx s PHE 9 N -1.23 3.01 -0.03 3.49 0.08 -1.26 -1.15 117.98 120.89 2wbx s PHE 9 Ca -0.13 1.58 0.00 0.00 0.12 0.00 0.00 56.93 58.50 2wbx s PHE 9 Cb -0.07 -3.10 0.00 0.00 -0.57 0.00 0.00 43.02 39.28 2wbx s PHE 9 CO 0.01 -0.86 0.30 0.25 -0.10 0.00 0.00 175.22 174.82 2wbx n THR 10 N -0.84 0.00 -1.82 0.64 -2.24 -0.04 -4.88 114.28 105.10 2wbx n THR 10 Ca 0.09 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 2wbx n THR 10 Cb 0.52 1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.73 2wbx n THR 10 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2wbx s ASN 11 N -0.45 6.44 0.47 3.42 0.01 -1.25 -4.89 114.94 118.69 2wbx s ASN 11 Ca 0.00 2.84 0.24 0.00 -0.71 0.00 0.00 52.86 55.24 2wbx s ASN 11 Cb 0.00 -2.62 1.14 0.00 0.41 0.00 0.00 41.25 40.18 2wbx s ASN 11 CO 0.01 -0.89 1.93 0.45 -1.51 0.00 0.00 177.10 177.09 2wbx h HIS 12 N 5.64 0.00 0.00 2.20 3.86 -1.98 -3.06 115.15 121.81 2wbx h HIS 12 Ca -0.45 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.75 2wbx h HIS 12 Cb 1.21 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.68 2wbx h HIS 12 CO 0.61 0.20 -0.02 0.27 0.86 0.00 0.00 177.93 179.85 2wbx h PHE 13 N 0.00 0.00 0.00 2.45 -5.15 -1.90 -0.73 116.94 111.61 2wbx h PHE 13 Ca -0.00 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.76 2wbx h PHE 13 Cb 0.56 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.73 2wbx h PHE 13 CO 0.00 0.02 -0.02 0.74 -2.00 0.00 0.00 178.31 177.05 2wbx h PHE 14 N 0.00 0.00 -0.01 6.09 0.04 -1.86 -1.98 116.94 119.21 2wbx h PHE 14 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2wbx h PHE 14 Cb 0.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.26 2wbx h PHE 14 CO 0.00 0.02 -0.49 -0.25 -0.60 0.00 0.00 178.31 176.99 2wbx n ASP 15 N -3.39 1.82 0.00 2.17 8.00 -0.29 -4.88 116.55 119.98 2wbx n ASP 15 Ca -0.03 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 54.07 2wbx n ASP 15 Cb 0.12 0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 2wbx n ASP 15 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2wbx n THR 16 N -0.20 0.00 -3.56 -3.53 -2.24 -0.78 -5.17 114.28 98.80 2wbx n THR 16 Ca 0.08 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.77 2wbx n THR 16 Cb 0.42 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.63 2wbx n THR 16 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2wbx s TYR 17 N 1.19 -0.36 -0.23 4.78 -0.85 -0.98 -4.65 117.35 116.24 2wbx s TYR 17 Ca 0.00 0.13 -0.07 0.00 -0.52 0.00 0.00 57.07 56.61 2wbx s TYR 17 Cb 0.00 0.59 -0.03 0.00 0.38 0.00 0.00 41.96 42.90 2wbx s TYR 17 CO 0.00 -0.80 0.05 -1.17 -1.52 0.00 0.00 175.55 172.12 2wbx s LEU 18 N -2.71 3.42 -0.14 -3.49 2.96 -0.08 -4.70 118.68 113.93 2wbx s LEU 18 Ca 0.05 -0.19 -0.15 0.00 -0.22 0.00 0.00 54.13 53.63 2wbx s LEU 18 Cb -0.02 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 2wbx s LEU 18 CO -0.07 -0.00 0.34 -0.22 -1.32 0.00 0.00 176.35 175.09 2wbx s LEU 19 N 1.40 4.26 -0.08 -0.68 2.96 -1.26 -0.59 118.68 124.70 2wbx s LEU 19 Ca 0.05 0.60 -0.00 0.00 -0.22 0.00 0.00 54.13 54.56 2wbx s LEU 19 Cb -0.15 -2.46 0.02 0.00 0.50 0.00 0.00 46.19 44.11 2wbx s LEU 19 CO 0.03 0.09 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.48 2wbx s ILE 20 N 0.43 0.64 0.34 6.68 1.01 -0.41 -4.96 121.20 124.94 2wbx s ILE 20 Ca 0.19 -0.09 -0.29 0.00 0.00 0.00 0.00 60.65 60.47 2wbx s ILE 20 Cb -0.14 -0.71 -0.11 0.00 0.01 0.00 0.00 42.46 41.51 2wbx s ILE 20 CO 0.06 0.29 1.42 -0.55 0.00 0.00 0.00 174.94 176.16 2wbx s SER 21 N 1.57 6.54 0.25 3.58 0.15 -1.26 -0.91 113.70 123.61 2wbx s SER 21 Ca -0.00 2.87 0.21 0.00 0.70 0.00 0.00 55.95 59.73 2wbx s SER 21 Cb -0.13 -2.66 0.97 0.00 -1.71 0.00 0.00 66.02 62.49 2wbx s SER 21 CO -0.04 -0.73 1.64 -1.84 1.20 0.00 0.00 173.24 173.47 2wbx n GLU 22 N 0.85 0.15 -0.34 5.44 0.28 0.41 -1.18 120.64 126.26 2wbx n GLU 22 Ca 0.02 0.48 0.05 0.00 -0.16 0.00 0.00 57.16 57.55 2wbx n GLU 22 Cb 0.40 -1.85 0.20 0.00 1.43 0.00 0.00 31.44 31.62 2wbx n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2wbx n ASP 23 N -2.15 2.84 -4.67 -1.84 8.00 -1.26 -4.53 116.55 112.94 2wbx n ASP 23 Ca 0.01 -2.23 -0.43 0.00 0.71 0.00 0.00 54.79 52.85 2wbx n ASP 23 Cb 0.15 -0.42 -0.02 0.00 -0.02 0.00 0.00 41.12 40.80 2wbx n ASP 23 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2wbx s THR 24 N -1.69 3.95 0.43 -3.53 2.01 -0.33 -4.98 115.64 111.50 2wbx s THR 24 Ca 0.29 1.18 -0.25 0.00 0.31 0.00 0.00 61.69 63.21 2wbx s THR 24 Cb 0.18 -3.76 -0.08 0.00 0.01 0.00 0.00 72.50 68.85 2wbx s THR 24 CO 0.14 -0.09 1.32 -2.84 -0.69 0.00 0.00 174.62 172.47 2wbx s PRO 25 N 3.48 3.84 0.33 4.92 0.02 -1.26 -4.73 135.00 141.60 2wbx s PRO 25 Ca 0.63 2.19 -0.29 0.00 0.02 0.00 0.00 61.00 63.55 2wbx s PRO 25 Cb -0.27 -2.68 -0.12 0.00 0.02 0.00 0.00 34.50 31.45 2wbx s PRO 25 CO 0.22 -0.61 1.46 0.28 -0.33 0.00 0.00 177.00 178.02 2wbx n VAL 26 N -0.05 1.59 0.00 3.83 0.31 -1.26 -1.86 118.33 120.89 2wbx n VAL 26 Ca 0.05 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 2wbx n VAL 26 Cb 0.44 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 2wbx n VAL 26 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wbx n GLY 27 N 1.23 1.28 3.77 2.92 0.00 0.08 -5.03 105.19 109.44 2wbx n GLY 27 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 2wbx n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wbx s SER 28 N -2.22 6.93 0.11 1.61 1.04 -0.78 -4.74 113.70 115.66 2wbx s SER 28 Ca 0.00 2.23 -0.30 0.00 0.48 0.00 0.00 55.95 58.36 2wbx s SER 28 Cb 0.00 -2.61 -0.07 0.00 0.10 0.00 0.00 66.02 63.44 2wbx s SER 28 CO 0.00 -0.38 1.18 -0.94 0.98 0.00 0.00 173.24 174.08 2wbx s SER 29 N -1.13 7.11 -0.02 7.02 1.04 -1.26 -1.41 113.70 125.05 2wbx s SER 29 Ca 0.51 2.09 0.16 0.00 0.48 0.00 0.00 55.95 59.20 2wbx s SER 29 Cb -0.29 -2.59 -0.24 0.00 0.10 0.00 0.00 66.02 63.00 2wbx s SER 29 CO 0.37 -0.40 0.38 1.33 0.98 0.00 0.00 173.24 175.90 2wbx n VAL 30 N 3.28 0.00 -3.91 5.02 0.24 0.69 -4.94 118.33 118.72 2wbx n VAL 30 Ca 0.07 -0.34 -0.02 0.00 -2.04 0.00 0.00 64.34 62.01 2wbx n VAL 30 Cb 0.46 0.22 0.02 0.00 -1.47 0.00 0.00 33.84 33.07 2wbx n VAL 30 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2wbx s THR 31 N -3.05 0.00 -0.08 3.34 -1.32 -1.23 -5.01 115.64 108.29 2wbx s THR 31 Ca -0.05 -0.49 -0.01 0.00 -1.21 0.00 0.00 61.69 59.94 2wbx s THR 31 Cb 0.10 -2.93 0.03 0.00 -1.51 0.00 0.00 72.50 68.19 2wbx s THR 31 CO 0.66 0.00 -0.02 -1.58 -2.21 0.00 0.00 174.62 171.47 2wbx s GLN 32 N -2.11 0.85 0.29 7.08 0.74 -1.26 -1.46 119.66 123.80 2wbx s GLN 32 Ca 0.24 0.01 -0.29 0.00 0.05 0.00 0.00 55.36 55.36 2wbx s GLN 32 Cb -0.02 -1.12 -0.10 0.00 1.10 0.00 0.00 33.01 32.87 2wbx s GLN 32 CO 0.04 -0.28 1.35 -0.51 -0.55 0.00 0.00 175.29 175.34 2wbx s LEU 33 N 1.86 4.41 -0.04 3.68 1.43 0.27 -4.93 118.68 125.35 2wbx s LEU 33 Ca 0.04 2.66 0.04 0.00 -1.03 0.00 0.00 54.13 55.85 2wbx s LEU 33 Cb -0.12 -3.64 -0.00 0.00 0.03 0.00 0.00 46.19 42.45 2wbx s LEU 33 CO -0.06 -0.59 -0.17 -0.76 0.23 0.00 0.00 176.35 175.00 2wbx s LEU 34 N -1.20 1.92 0.10 1.79 1.43 -1.26 -4.54 118.68 116.91 2wbx s LEU 34 Ca 0.53 -0.35 -0.09 0.00 -1.03 0.00 0.00 54.13 53.18 2wbx s LEU 34 Cb -0.40 -0.97 -0.00 0.00 0.03 0.00 0.00 46.19 44.84 2wbx s LEU 34 CO 0.49 0.15 0.21 0.00 0.23 0.00 0.00 176.35 177.43 2wbx s ALA 35 N 0.04 -0.23 -0.06 4.21 0.00 -1.26 -0.86 121.76 123.60 2wbx s ALA 35 Ca -0.04 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.34 2wbx s ALA 35 Cb -0.12 0.53 0.00 0.00 0.00 0.00 0.00 23.12 23.54 2wbx s ALA 35 CO 0.02 -0.53 -0.17 0.50 0.00 0.00 0.00 175.76 175.58 2wbx s ARG 36 N -3.87 1.99 -0.22 0.00 6.06 -0.30 -4.90 118.95 117.70 2wbx s ARG 36 Ca 0.06 -0.61 -0.03 0.00 -2.50 0.00 0.00 55.73 52.65 2wbx s ARG 36 Cb 0.05 -1.65 0.00 0.00 0.06 0.00 0.00 34.95 33.40 2wbx s ARG 36 CO -0.10 0.18 -0.06 0.34 -2.50 0.00 0.00 175.30 173.16 2wbx s ASP 37 N 0.25 4.21 0.40 -2.12 2.15 -1.26 -1.57 116.67 118.72 2wbx s ASP 37 Ca -0.09 -0.53 0.29 0.00 0.43 0.00 0.00 52.55 52.65 2wbx s ASP 37 Cb -0.14 -1.70 1.35 0.00 -0.30 0.00 0.00 42.92 42.13 2wbx s ASP 37 CO 0.04 -0.05 1.86 0.24 -0.17 0.00 0.00 175.17 177.09 2wbx h MET 38 N 8.08 0.00 -0.01 4.34 2.86 -1.83 0.67 114.93 129.04 2wbx h MET 38 Ca -0.40 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 2wbx h MET 38 Cb 1.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.81 2wbx h MET 38 CO 0.60 0.00 -0.04 -0.25 1.06 0.00 0.00 176.91 178.29 2wbx n ASP 39 N -2.55 1.30 -1.85 1.22 8.00 -1.26 -4.94 116.55 116.46 2wbx n ASP 39 Ca -0.00 -1.35 -0.19 0.00 0.71 0.00 0.00 54.79 53.95 2wbx n ASP 39 Cb 0.17 0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.24 2wbx n ASP 39 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2wbx n ASN 40 N -0.05 -5.46 -4.77 -2.24 3.02 0.23 -4.98 115.26 101.00 2wbx n ASN 40 Ca 0.18 0.23 -0.38 0.00 -0.03 0.00 0.00 54.58 54.58 2wbx n ASN 40 Cb 0.33 -4.58 -0.01 0.00 -0.61 0.00 0.00 39.78 34.91 2wbx n ASN 40 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2wbx s ASP 41 N -2.46 6.21 0.33 6.41 1.01 -1.26 -4.97 116.67 121.95 2wbx s ASP 41 Ca 0.00 2.44 -0.29 0.00 0.71 0.00 0.00 52.55 55.41 2wbx s ASP 41 Cb 0.00 -2.62 -0.12 0.00 1.01 0.00 0.00 42.92 41.19 2wbx s ASP 41 CO 0.00 -0.90 1.44 -2.65 0.21 0.00 0.00 175.17 173.27 2wbx n PRO 42 N -0.24 2.45 -4.57 8.23 -0.02 -1.26 -4.79 135.00 134.79 2wbx n PRO 42 Ca 0.06 0.86 -0.30 0.00 -2.02 0.00 0.00 63.50 62.10 2wbx n PRO 42 Cb 0.46 -2.55 -0.13 0.00 -0.02 0.00 0.00 33.50 31.27 2wbx n PRO 42 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wbx s LEU 43 N -1.18 2.53 -0.04 2.45 1.43 -1.26 -4.50 118.68 118.11 2wbx s LEU 43 Ca 0.58 -0.53 0.06 0.00 -1.03 0.00 0.00 54.13 53.21 2wbx s LEU 43 Cb -0.53 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 2wbx s LEU 43 CO 0.59 0.23 -0.22 0.68 0.23 0.00 0.00 176.35 177.85 2wbx s VAL 44 N -0.98 1.82 0.11 -1.59 -7.23 -0.32 -4.68 120.40 107.53 2wbx s VAL 44 Ca 0.15 -0.95 0.04 0.00 -1.81 0.00 0.00 61.98 59.41 2wbx s VAL 44 Cb -0.10 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.26 2wbx s VAL 44 CO 0.06 0.51 0.11 -0.36 -0.31 0.00 0.00 175.10 175.11 2wbx s PHE 45 N -0.21 3.19 0.31 2.82 0.08 0.34 -1.11 117.98 123.40 2wbx s PHE 45 Ca -0.00 0.05 -0.15 0.00 0.12 0.00 0.00 56.93 56.94 2wbx s PHE 45 Cb -0.12 -1.59 0.02 0.00 -0.57 0.00 0.00 43.02 40.77 2wbx s PHE 45 CO 0.02 0.52 0.65 0.20 -0.10 0.00 0.00 175.22 176.51 2wbx s GLY 46 N -2.66 0.39 -0.00 4.36 0.00 -0.33 -4.23 107.32 104.86 2wbx s GLY 46 Ca 0.30 -0.73 0.06 0.00 0.00 0.00 0.00 44.72 44.35 2wbx s GLY 46 CO 0.23 -0.40 -0.19 0.54 0.00 0.00 0.00 173.10 173.28 2wbx s VAL 47 N -3.36 1.50 0.05 1.40 0.11 -1.26 -0.80 120.40 118.03 2wbx s VAL 47 Ca 0.17 -0.88 0.09 0.00 -2.93 0.00 0.00 61.98 58.44 2wbx s VAL 47 Cb -0.04 -1.26 -0.03 0.00 -1.53 0.00 0.00 36.38 33.52 2wbx s VAL 47 CO 0.10 0.37 -0.26 -0.55 -3.33 0.00 0.00 175.10 171.43 2wbx s SER 48 N -0.59 3.22 0.00 3.54 0.15 -0.30 -4.90 113.70 114.82 2wbx s SER 48 Ca 0.07 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.14 2wbx s SER 48 Cb -0.08 -0.31 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 2wbx s SER 48 CO -0.00 0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.31 2wbx n GLY 49 N 1.75 3.21 0.21 9.45 0.00 -1.26 -3.88 105.19 114.67 2wbx n GLY 49 Ca -0.17 -1.51 -0.14 0.00 0.00 0.00 0.00 46.02 44.19 2wbx n GLY 49 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2wbx h GLU 50 N 0.00 -0.42 -0.25 1.61 4.81 -1.99 -1.05 114.58 117.30 2wbx h GLU 50 Ca 0.00 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2wbx h GLU 50 Cb 0.00 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2wbx h GLU 50 CO 0.00 -0.28 -0.02 1.49 -0.73 0.00 0.00 179.01 179.47 2wbx h GLU 51 N -0.43 0.45 -0.41 1.92 4.81 -1.99 -2.57 114.58 116.35 2wbx h GLU 51 Ca -0.03 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 59.08 2wbx h GLU 51 Cb 0.36 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 2wbx h GLU 51 CO 0.03 0.64 0.19 0.00 -0.73 0.00 0.00 179.01 179.15 2wbx h ALA 52 N 0.80 0.51 0.00 2.92 0.00 -1.82 -1.94 119.26 119.72 2wbx h ALA 52 Ca 0.07 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2wbx h ALA 52 Cb 0.45 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2wbx h ALA 52 CO 0.02 -0.17 -0.28 0.77 0.00 0.00 0.00 179.25 179.59 2wbx h SER 53 N 0.40 0.00 0.52 0.00 0.02 -1.12 0.50 113.55 113.86 2wbx h SER 53 Ca 0.18 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 2wbx h SER 53 Cb 0.10 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 2wbx h SER 53 CO -0.14 0.28 -0.50 0.03 -1.14 0.00 0.00 176.83 175.36 2wbx h ARG 54 N 0.00 0.00 0.00 3.45 3.08 -0.94 -3.31 114.38 116.66 2wbx h ARG 54 Ca -0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.86 2wbx h ARG 54 Cb 0.55 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 2wbx h ARG 54 CO 0.04 0.50 -1.89 1.19 -1.07 0.00 0.00 179.97 178.74 2wbx n PHE 55 N -3.92 0.39 -4.04 3.04 3.01 -0.77 -4.45 117.46 110.73 2wbx n PHE 55 Ca -0.01 0.13 -0.17 0.00 1.01 0.00 0.00 57.45 58.40 2wbx n PHE 55 Cb 0.52 -0.90 -0.16 0.00 -0.01 0.00 0.00 39.48 38.94 2wbx n PHE 55 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2wbx s PHE 56 N -2.95 0.43 -0.05 1.38 0.08 0.10 -0.34 117.98 116.62 2wbx s PHE 56 Ca -0.07 -0.07 0.03 0.00 0.12 0.00 0.00 56.93 56.95 2wbx s PHE 56 Cb 0.09 -0.42 -0.03 0.00 -0.57 0.00 0.00 43.02 42.09 2wbx s PHE 56 CO 0.84 -0.11 -0.13 0.00 -0.10 0.00 0.00 175.22 175.73 2wbx s ALA 57 N 0.68 2.74 -0.08 5.36 0.00 -0.25 -4.35 121.76 125.87 2wbx s ALA 57 Ca -0.07 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 50.98 2wbx s ALA 57 Cb -0.11 -1.03 -0.01 0.00 0.00 0.00 0.00 23.12 21.98 2wbx s ALA 57 CO -0.01 0.56 -0.23 0.08 0.00 0.00 0.00 175.76 176.16 2wbx s VAL 58 N -0.75 2.19 -0.21 0.00 1.01 -1.26 -0.71 120.40 120.67 2wbx s VAL 58 Ca 0.12 -1.00 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 2wbx s VAL 58 Cb -0.11 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.46 2wbx s VAL 58 CO 0.01 0.56 1.11 -0.70 0.00 0.00 0.00 175.10 176.08 2wbx s GLU 59 N -0.00 4.25 0.41 2.72 -6.30 -0.03 -4.93 118.70 114.82 2wbx s GLU 59 Ca -0.08 1.45 0.15 0.00 -2.50 0.00 0.00 54.97 53.99 2wbx s GLU 59 Cb -0.15 -3.68 0.89 0.00 0.00 0.00 0.00 34.13 31.19 2wbx s GLU 59 CO 0.05 -0.66 1.90 -1.00 0.02 0.00 0.00 175.26 175.57 2wbx h PRO 60 N 7.69 0.00 0.07 4.30 0.13 -1.90 -0.58 132.00 141.71 2wbx h PRO 60 Ca -0.21 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.55 2wbx h PRO 60 Cb 1.07 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 2wbx h PRO 60 CO 0.98 0.29 -2.16 -0.25 -0.23 0.00 0.00 178.00 176.62 2wbx n ASP 61 N -4.08 1.96 0.06 1.44 8.00 -1.26 -0.51 116.55 122.17 2wbx n ASP 61 Ca -0.02 0.09 0.11 0.00 0.71 0.00 0.00 54.79 55.68 2wbx n ASP 61 Cb 0.34 -0.62 -0.06 0.00 -0.02 0.00 0.00 41.12 40.76 2wbx n ASP 61 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2wbx n THR 62 N -3.37 0.47 -0.97 -3.53 -2.24 -1.22 -4.90 114.28 98.53 2wbx n THR 62 Ca -0.36 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 2wbx n THR 62 Cb 1.03 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 2wbx n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wbx n GLY 63 N 1.22 0.64 3.78 3.38 0.00 -0.23 -4.66 105.19 109.32 2wbx n GLY 63 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2wbx n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wbx s VAL 64 N -2.70 2.25 -0.12 1.61 1.01 -1.26 -0.57 120.40 120.62 2wbx s VAL 64 Ca 0.00 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.26 2wbx s VAL 64 Cb 0.00 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.23 2wbx s VAL 64 CO 0.00 0.06 -0.22 -0.69 0.00 0.00 0.00 175.10 174.25 2wbx s VAL 65 N -1.13 1.99 0.08 2.92 1.01 -0.53 -0.85 120.40 123.89 2wbx s VAL 65 Ca 0.52 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.62 2wbx s VAL 65 Cb -0.44 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 2wbx s VAL 65 CO 0.60 0.54 -0.15 0.26 0.00 0.00 0.00 175.10 176.35 2wbx s TRP 66 N 0.65 2.63 -0.09 5.22 0.51 0.11 -0.22 118.94 127.75 2wbx s TRP 66 Ca -0.12 -0.21 -0.30 0.00 -2.12 0.00 0.00 56.10 53.36 2wbx s TRP 66 Cb -0.16 -1.43 -0.02 0.00 -0.81 0.00 0.00 33.47 31.05 2wbx s TRP 66 CO 0.02 0.36 1.04 -1.17 -0.51 0.00 0.00 176.95 176.70 2wbx s LEU 67 N -1.92 4.25 0.00 2.99 2.96 -0.50 -1.08 118.68 125.39 2wbx s LEU 67 Ca 0.18 1.59 0.22 0.00 -0.22 0.00 0.00 54.13 55.90 2wbx s LEU 67 Cb -0.11 -3.56 -0.28 0.00 0.50 0.00 0.00 46.19 42.74 2wbx s LEU 67 CO 0.10 -0.47 0.58 0.54 -1.32 0.00 0.00 176.35 175.77 2wbx n ARG 68 N 5.02 0.63 -3.97 1.98 1.74 0.54 -0.74 116.66 121.86 2wbx n ARG 68 Ca 0.09 -0.15 -0.09 0.00 -0.77 0.00 0.00 57.85 56.93 2wbx n ARG 68 Cb 0.48 -1.56 -0.10 0.00 -1.02 0.00 0.00 32.46 30.26 2wbx n ARG 68 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2wbx s GLN 69 N -3.48 0.51 0.43 5.56 -0.21 -1.26 -4.86 119.66 116.36 2wbx s GLN 69 Ca -0.06 -0.78 -0.26 0.00 0.02 0.00 0.00 55.36 54.28 2wbx s GLN 69 Cb 0.13 0.19 -0.09 0.00 1.00 0.00 0.00 33.01 34.25 2wbx s GLN 69 CO 0.89 -0.11 1.40 -2.14 -2.12 0.00 0.00 175.29 173.21 2wbx s PRO 70 N -2.48 3.81 0.37 2.91 0.02 -1.26 -4.83 135.00 133.54 2wbx s PRO 70 Ca -0.06 2.36 -0.05 0.00 0.02 0.00 0.00 61.00 63.27 2wbx s PRO 70 Cb -0.02 -2.71 -0.05 0.00 0.02 0.00 0.00 34.50 31.74 2wbx s PRO 70 CO -0.04 -0.70 0.65 -0.51 -0.33 0.00 0.00 177.00 176.07 2wbx s LEU 71 N -2.58 3.90 -0.29 -5.54 1.43 -1.26 -5.10 118.68 109.24 2wbx s LEU 71 Ca 0.59 0.78 0.03 0.00 -1.03 0.00 0.00 54.13 54.50 2wbx s LEU 71 Cb -0.42 -3.66 0.19 0.00 0.03 0.00 0.00 46.19 42.33 2wbx s LEU 71 CO 0.55 -0.35 0.57 -0.62 0.23 0.00 0.00 176.35 176.72 2wbx s ASP 72 N -3.60 -1.27 0.43 2.29 2.15 -1.26 -4.90 116.67 110.51 2wbx s ASP 72 Ca 0.45 0.40 0.21 0.00 0.43 0.00 0.00 52.55 54.04 2wbx s ASP 72 Cb -0.10 1.96 1.18 0.00 -0.30 0.00 0.00 42.92 45.66 2wbx s ASP 72 CO 0.35 -0.29 1.81 -0.09 -0.17 0.00 0.00 175.17 176.78 2wbx h ARG 73 N 8.02 0.31 -0.18 4.34 2.43 -1.87 0.04 114.38 127.48 2wbx h ARG 73 Ca -0.11 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.07 2wbx h ARG 73 Cb 1.17 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 2wbx h ARG 73 CO 0.21 0.21 0.04 1.49 -1.51 0.00 0.00 179.97 180.40 2wbx h GLU 74 N 0.32 0.11 0.20 0.20 4.57 -1.97 -3.08 114.58 114.93 2wbx h GLU 74 Ca 0.54 -0.01 -0.26 0.00 -1.18 0.00 0.00 59.36 58.45 2wbx h GLU 74 Cb 1.52 -0.02 0.03 0.00 -0.16 0.00 0.00 28.75 30.11 2wbx h GLU 74 CO -0.21 0.07 -1.16 0.00 -1.18 0.00 0.00 179.01 176.54 2wbx h THR 75 N 0.11 1.39 -2.02 0.32 1.03 -1.49 -3.45 112.91 108.81 2wbx h THR 75 Ca 0.08 -2.61 -0.05 0.00 -0.01 0.00 0.00 66.41 63.81 2wbx h THR 75 Cb 0.07 3.11 -0.26 0.00 -1.07 0.00 0.00 68.15 70.01 2wbx h THR 75 CO -0.11 0.76 -0.34 -0.75 -0.01 0.00 0.00 175.52 175.07 2wbx s LYS 76 N -2.53 0.41 0.00 0.00 2.20 -0.25 -5.04 119.74 114.54 2wbx s LYS 76 Ca -0.11 0.96 0.24 0.00 -0.36 0.00 0.00 55.97 56.70 2wbx s LYS 76 Cb 0.03 0.23 0.34 0.00 -1.51 0.00 0.00 37.83 36.91 2wbx s LYS 76 CO 0.89 -0.41 1.30 -1.13 -0.36 0.00 0.00 175.35 175.64 2wbx n SER 77 N 5.40 0.72 -3.70 1.43 3.41 -1.17 -3.94 113.62 115.77 2wbx n SER 77 Ca -0.07 -0.53 -0.14 0.00 -0.26 0.00 0.00 58.87 57.87 2wbx n SER 77 Cb 0.50 0.43 -0.08 0.00 -0.26 0.00 0.00 64.21 64.79 2wbx n SER 77 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2wbx s GLU 78 N -2.94 0.71 0.07 4.33 2.12 -1.26 -0.76 118.70 120.97 2wbx s GLU 78 Ca 0.12 0.12 0.05 0.00 0.36 0.00 0.00 54.97 55.62 2wbx s GLU 78 Cb 0.17 0.33 -0.03 0.00 0.26 0.00 0.00 34.13 34.86 2wbx s GLU 78 CO 0.72 -0.18 -0.15 -0.06 -0.54 0.00 0.00 175.26 175.05 2wbx s PHE 79 N -0.87 1.29 -0.27 5.30 0.08 -0.40 -4.99 117.98 118.11 2wbx s PHE 79 Ca -0.09 -0.44 -0.03 0.00 0.12 0.00 0.00 56.93 56.48 2wbx s PHE 79 Cb -0.04 -0.73 0.02 0.00 -0.57 0.00 0.00 43.02 41.71 2wbx s PHE 79 CO 0.04 0.07 -0.01 0.99 -0.10 0.00 0.00 175.22 176.22 2wbx s THR 80 N -1.21 3.23 0.03 0.64 2.01 -1.26 -0.77 115.64 118.31 2wbx s THR 80 Ca -0.01 -0.96 0.07 0.00 0.31 0.00 0.00 61.69 61.11 2wbx s THR 80 Cb -0.10 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 2wbx s THR 80 CO 0.02 0.13 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.20 2wbx s VAL 81 N 1.37 2.66 -0.25 3.82 1.01 -0.54 -4.91 120.40 123.56 2wbx s VAL 81 Ca 0.00 -1.16 -0.09 0.00 0.00 0.00 0.00 61.98 60.73 2wbx s VAL 81 Cb -0.17 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 2wbx s VAL 81 CO -0.02 0.39 0.13 -1.61 0.00 0.00 0.00 175.10 173.99 2wbx s GLU 82 N -1.26 3.88 0.04 2.72 2.02 -1.25 -0.45 118.70 124.39 2wbx s GLU 82 Ca 0.13 -0.37 0.02 0.00 0.02 0.00 0.00 54.97 54.77 2wbx s GLU 82 Cb -0.10 -3.47 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 2wbx s GLU 82 CO 0.04 -0.08 0.06 -0.06 0.02 0.00 0.00 175.26 175.24 2wbx s PHE 83 N 1.41 3.19 0.13 1.61 0.08 -0.67 -1.15 117.98 122.57 2wbx s PHE 83 Ca 0.06 0.11 0.07 0.00 0.12 0.00 0.00 56.93 57.29 2wbx s PHE 83 Cb -0.15 -1.66 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 2wbx s PHE 83 CO 0.06 0.52 -0.16 -1.12 -0.10 0.00 0.00 175.22 174.42 2wbx s SER 84 N -2.01 2.18 -0.01 1.36 0.01 0.02 -0.81 113.70 114.45 2wbx s SER 84 Ca 0.25 -0.79 0.01 0.00 1.31 0.00 0.00 55.95 56.72 2wbx s SER 84 Cb -0.12 -0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.02 2wbx s SER 84 CO 0.17 -0.09 -0.01 0.54 0.41 0.00 0.00 173.24 174.25 2wbx s VAL 85 N -1.95 0.16 0.03 3.43 0.11 -0.32 -1.18 120.40 120.67 2wbx s VAL 85 Ca 0.09 -0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.12 2wbx s VAL 85 Cb -0.06 -0.17 -0.02 0.00 -1.53 0.00 0.00 36.38 34.60 2wbx s VAL 85 CO 0.04 0.07 -0.07 -0.55 -3.33 0.00 0.00 175.10 171.26 2wbx s SER 86 N 0.21 0.75 -0.11 3.54 0.15 -0.27 -1.23 113.70 116.75 2wbx s SER 86 Ca -0.02 -0.44 0.15 0.00 0.70 0.00 0.00 55.95 56.35 2wbx s SER 86 Cb -0.04 0.02 0.54 0.00 -1.71 0.00 0.00 66.02 64.83 2wbx s SER 86 CO -0.01 -0.15 1.46 -0.90 1.20 0.00 0.00 173.24 174.85 2wbx n ASP 87 N 1.83 4.00 0.00 5.45 5.68 -0.99 -1.18 116.55 131.34 2wbx n ASP 87 Ca -0.20 -2.54 0.00 0.00 -0.50 0.00 0.00 54.79 51.55 2wbx n ASP 87 Cb 0.56 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 2wbx n ASP 87 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2wbx n HIS 88 N 0.37 0.00 -0.12 2.11 8.25 -1.26 -4.73 115.22 119.84 2wbx n HIS 88 Ca 0.20 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.50 2wbx n HIS 88 Cb 0.78 -0.09 -0.13 0.00 1.12 0.00 0.00 29.99 31.67 2wbx n HIS 88 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2wbx n GLN 89 N -2.00 0.66 -3.86 -0.41 6.02 -1.26 -5.05 117.38 111.49 2wbx n GLN 89 Ca 0.00 0.11 -0.09 0.00 -0.01 0.00 0.00 57.00 57.00 2wbx n GLN 89 Cb 0.00 -1.52 -0.06 0.00 1.02 0.00 0.00 30.24 29.68 2wbx n GLN 89 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2wbx s GLY 90 N -6.24 0.20 -0.03 1.08 0.00 -1.26 -5.15 107.32 95.91 2wbx s GLY 90 Ca -0.28 -0.61 0.03 0.00 0.00 0.00 0.00 44.72 43.86 2wbx s GLY 90 CO 0.66 -0.66 -0.13 0.14 0.00 0.00 0.00 173.10 173.11 2wbx s VAL 91 N -3.91 1.09 -0.19 1.40 1.01 -1.26 -2.36 120.40 116.19 2wbx s VAL 91 Ca 0.11 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 2wbx s VAL 91 Cb 0.03 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 2wbx s VAL 91 CO -0.04 0.33 0.04 -0.63 0.00 0.00 0.00 175.10 174.79 2wbx s ILE 92 N 0.12 4.53 -0.10 2.22 1.09 -0.36 -4.98 121.20 123.71 2wbx s ILE 92 Ca -0.03 -0.12 0.03 0.00 -1.10 0.00 0.00 60.65 59.43 2wbx s ILE 92 Cb -0.10 -3.04 0.01 0.00 -1.06 0.00 0.00 42.46 38.26 2wbx s ILE 92 CO 0.01 0.45 -0.21 -0.89 -0.10 0.00 0.00 174.94 174.20 2wbx s THR 93 N 0.57 1.86 -0.01 2.92 2.01 -1.26 -1.18 115.64 120.55 2wbx s THR 93 Ca 0.02 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.16 2wbx s THR 93 Cb -0.13 -1.63 -0.01 0.00 0.01 0.00 0.00 72.50 70.74 2wbx s THR 93 CO 0.01 0.51 -0.11 -0.13 -0.69 0.00 0.00 174.62 174.22 2wbx s ARG 94 N 0.56 0.94 0.22 4.92 0.52 0.01 -4.95 118.95 121.16 2wbx s ARG 94 Ca -0.15 -0.40 -0.30 0.00 -0.52 0.00 0.00 55.73 54.36 2wbx s ARG 94 Cb -0.17 -0.90 -0.09 0.00 0.52 0.00 0.00 34.95 34.31 2wbx s ARG 94 CO 0.05 0.23 0.95 0.15 0.02 0.00 0.00 175.30 176.70 2wbx s LYS 95 N -0.22 4.83 -0.04 3.54 1.02 -1.26 -1.68 119.74 125.93 2wbx s LYS 95 Ca 0.04 1.50 0.04 0.00 0.02 0.00 0.00 55.97 57.57 2wbx s LYS 95 Cb -0.05 -3.29 -0.00 0.00 -0.52 0.00 0.00 37.83 33.97 2wbx s LYS 95 CO -0.00 0.46 -0.17 0.08 -0.92 0.00 0.00 175.35 174.80 2wbx s VAL 96 N -1.00 1.42 -0.27 3.17 1.01 0.40 -4.93 120.40 120.20 2wbx s VAL 96 Ca 0.42 -0.71 -0.24 0.00 0.00 0.00 0.00 61.98 61.45 2wbx s VAL 96 Cb -0.26 -1.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.90 2wbx s VAL 96 CO 0.32 0.41 0.82 0.21 0.00 0.00 0.00 175.10 176.86 2wbx s ASN 97 N 0.03 6.76 -0.31 3.32 2.47 -1.26 -1.46 114.94 124.49 2wbx s ASN 97 Ca -0.03 0.88 -0.11 0.00 0.42 0.00 0.00 52.86 54.02 2wbx s ASN 97 Cb -0.11 -2.43 -0.03 0.00 -1.45 0.00 0.00 41.25 37.23 2wbx s ASN 97 CO 0.02 -0.57 0.20 -0.63 -3.72 0.00 0.00 177.10 172.40 2wbx s ILE 98 N 2.92 5.10 -0.19 -5.21 1.01 0.05 -0.91 121.20 123.98 2wbx s ILE 98 Ca 0.34 -0.14 -0.16 0.00 0.00 0.00 0.00 60.65 60.69 2wbx s ILE 98 Cb -0.15 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 2wbx s ILE 98 CO 0.10 0.10 0.42 -1.10 0.00 0.00 0.00 174.94 174.46 2wbx s GLN 99 N 1.71 4.20 -0.44 2.79 -1.52 0.25 -1.28 119.66 125.37 2wbx s GLN 99 Ca 0.06 0.26 -0.22 0.00 -1.95 0.00 0.00 55.36 53.51 2wbx s GLN 99 Cb -0.17 -3.52 0.02 0.00 -0.22 0.00 0.00 33.01 29.12 2wbx s GLN 99 CO 0.09 -0.02 0.69 0.08 -0.25 0.00 0.00 175.29 175.89 2wbx s VAL 100 N 1.23 4.77 0.09 1.09 1.01 0.06 -1.28 120.40 127.37 2wbx s VAL 100 Ca 0.20 0.24 -0.14 0.00 0.00 0.00 0.00 61.98 62.29 2wbx s VAL 100 Cb -0.15 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 31.93 2wbx s VAL 100 CO 0.08 -0.63 0.49 -0.83 0.00 0.00 0.00 175.10 174.21 2wbx s GLY 101 N 2.04 2.47 0.00 4.51 0.00 -0.09 -4.79 107.32 111.47 2wbx s GLY 101 Ca 0.25 -0.18 0.22 0.00 0.00 0.00 0.00 44.72 45.01 2wbx s GLY 101 CO 0.20 0.13 1.19 1.34 0.00 0.00 0.00 173.10 175.96