#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cwa s GLY 4 N 0.00 2.78 -0.03 5.14 0.00 -1.26 -4.15 107.32 109.79 2cwa s GLY 4 Ca 0.00 0.71 -0.01 0.00 0.00 0.00 0.00 44.72 45.42 2cwa s GLY 4 CO 0.00 1.73 0.06 -2.27 0.00 0.00 0.00 173.10 172.62 2cwa s LEU 5 N 0.42 1.29 -0.45 0.66 2.96 -1.26 -5.00 118.68 117.30 2cwa s LEU 5 Ca 0.52 0.12 0.07 0.00 -0.22 0.00 0.00 54.13 54.62 2cwa s LEU 5 Cb -0.26 0.12 0.18 0.00 0.50 0.00 0.00 46.19 46.73 2cwa s LEU 5 CO 0.31 -0.09 0.63 0.21 -1.32 0.00 0.00 176.35 176.09 2cwa s ASN 6 N 0.68 -1.13 -0.07 3.68 2.47 -1.22 -4.20 114.94 115.15 2cwa s ASN 6 Ca -0.05 -1.32 0.02 0.00 0.42 0.00 0.00 52.86 51.92 2cwa s ASN 6 Cb -0.08 1.71 0.01 0.00 -1.45 0.00 0.00 41.25 41.45 2cwa s ASN 6 CO -0.02 -0.13 -0.11 -0.13 -3.72 0.00 0.00 177.10 172.98 2cwa s ARG 7 N 1.36 1.65 -0.11 0.43 0.52 -0.47 -4.58 118.95 117.75 2cwa s ARG 7 Ca 0.22 -0.38 0.01 0.00 -0.52 0.00 0.00 55.73 55.06 2cwa s ARG 7 Cb -0.03 -1.41 -0.02 0.00 0.52 0.00 0.00 34.95 34.02 2cwa s ARG 7 CO -0.06 -0.01 -0.14 0.08 0.02 0.00 0.00 175.30 175.19 2cwa s VAL 8 N 0.79 3.03 -0.16 3.52 1.01 0.07 -0.62 120.40 128.04 2cwa s VAL 8 Ca -0.12 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 2cwa s VAL 8 Cb -0.15 -2.25 0.04 0.00 0.00 0.00 0.00 36.38 34.02 2cwa s VAL 8 CO 0.02 0.54 -0.08 -0.36 0.00 0.00 0.00 175.10 175.23 2cwa s PHE 9 N 0.08 1.86 -0.01 5.22 0.08 0.31 -0.93 117.98 124.59 2cwa s PHE 9 Ca -0.06 -1.14 0.03 0.00 0.12 0.00 0.00 56.93 55.89 2cwa s PHE 9 Cb -0.15 -1.40 -0.01 0.00 -0.57 0.00 0.00 43.02 40.90 2cwa s PHE 9 CO 0.04 -0.63 -0.10 -0.51 -0.10 0.00 0.00 175.22 173.92 2cwa s LEU 10 N 1.58 2.03 -0.06 -0.37 1.43 -0.46 -1.34 118.68 121.50 2cwa s LEU 10 Ca 0.02 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 52.90 2cwa s LEU 10 Cb -0.15 -0.53 0.03 0.00 0.03 0.00 0.00 46.19 45.57 2cwa s LEU 10 CO -0.08 0.12 0.01 -0.63 0.23 0.00 0.00 176.35 176.00 2cwa s ILE 11 N -0.28 0.28 0.21 -0.59 1.01 -0.31 0.12 121.20 121.64 2cwa s ILE 11 Ca 0.04 0.16 -0.11 0.00 0.00 0.00 0.00 60.65 60.74 2cwa s ILE 11 Cb -0.04 -0.45 0.04 0.00 0.01 0.00 0.00 42.46 42.02 2cwa s ILE 11 CO -0.00 0.24 0.57 0.61 0.00 0.00 0.00 174.94 176.35 2cwa n GLY 12 N 5.06 1.16 3.88 6.18 0.00 -0.96 -1.81 105.19 118.70 2cwa n GLY 12 Ca -0.08 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 2cwa n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwa s ALA 13 N -1.69 3.90 -0.24 4.61 0.00 -0.34 -1.07 121.76 126.93 2cwa s ALA 13 Ca 0.12 -0.84 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 2cwa s ALA 13 Cb -0.03 -1.77 -0.01 0.00 0.00 0.00 0.00 23.12 21.31 2cwa s ALA 13 CO 0.06 0.79 1.38 -0.51 0.00 0.00 0.00 175.76 177.48 2cwa s LEU 14 N -2.27 3.97 0.39 0.00 1.43 -0.07 -0.75 118.68 121.38 2cwa s LEU 14 Ca 0.31 1.45 0.08 0.00 -1.03 0.00 0.00 54.13 54.94 2cwa s LEU 14 Cb -0.13 -3.54 0.81 0.00 0.03 0.00 0.00 46.19 43.37 2cwa s LEU 14 CO 0.23 -1.04 1.98 0.00 0.23 0.00 0.00 176.35 177.75 2cwa h ALA 15 N 9.39 1.59 -2.67 4.21 0.00 -1.35 0.24 119.26 130.68 2cwa h ALA 15 Ca -0.28 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 2cwa h ALA 15 Cb 1.11 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 18.66 2cwa h ALA 15 CO 1.01 0.31 -0.30 0.95 0.00 0.00 0.00 179.25 181.22 2cwa s THR 16 N -5.12 0.05 0.23 0.00 -4.23 -1.26 -4.36 115.64 100.95 2cwa s THR 16 Ca -0.07 -1.41 -0.31 0.00 -1.18 0.00 0.00 61.69 58.72 2cwa s THR 16 Cb 0.16 -1.93 -0.11 0.00 1.34 0.00 0.00 72.50 71.97 2cwa s THR 16 CO 0.73 -0.23 1.55 -0.60 -0.54 0.00 0.00 174.62 175.53 2cwa s ARG 17 N -3.99 4.20 0.65 3.99 3.52 -1.26 -4.35 118.95 121.72 2cwa s ARG 17 Ca 0.19 2.42 -0.18 0.00 -0.13 0.00 0.00 55.73 58.03 2cwa s ARG 17 Cb 0.03 -3.10 -0.01 0.00 -1.56 0.00 0.00 34.95 30.31 2cwa s ARG 17 CO 0.02 -0.56 1.26 -1.25 -0.81 0.00 0.00 175.30 173.96 2cwa s PRO 18 N 0.23 2.57 0.41 5.12 0.04 -1.26 -4.96 135.00 137.15 2cwa s PRO 18 Ca 0.65 1.96 0.08 0.00 0.04 0.00 0.00 61.00 63.73 2cwa s PRO 18 Cb -0.45 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 2cwa s PRO 18 CO 0.39 -1.56 0.45 -0.51 0.04 0.00 0.00 177.00 175.81 2cwa s ASP 19 N -1.54 5.31 0.00 6.66 1.01 -0.84 -4.99 116.67 122.27 2cwa s ASP 19 Ca 0.80 -0.60 0.00 0.00 0.71 0.00 0.00 52.55 53.46 2cwa s ASP 19 Cb -0.35 -0.64 0.00 0.00 1.01 0.00 0.00 42.92 42.94 2cwa s ASP 19 CO 0.39 -0.67 0.00 -2.11 0.21 0.00 0.00 175.17 172.99 2cwa n ARG 21 N -1.65 0.00 -4.51 8.23 1.85 -0.35 -2.03 116.66 118.20 2cwa n ARG 21 Ca 0.05 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.69 2cwa n ARG 21 Cb 0.61 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.87 2cwa n ARG 21 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2cwa s TYR 22 N -2.00 1.08 0.86 2.89 2.02 -1.26 0.04 117.35 120.98 2cwa s TYR 22 Ca 0.00 -0.22 -0.12 0.00 -0.37 0.00 0.00 57.07 56.36 2cwa s TYR 22 Cb 0.00 -0.69 0.11 0.00 -0.40 0.00 0.00 41.96 40.98 2cwa s TYR 22 CO 0.00 -0.01 1.13 0.95 -1.57 0.00 0.00 175.55 176.04 2cwa s THR 23 N -0.34 2.36 0.48 -0.71 -4.23 -0.61 -4.89 115.64 107.70 2cwa s THR 23 Ca 0.04 0.12 0.14 0.00 -1.18 0.00 0.00 61.69 60.81 2cwa s THR 23 Cb -0.05 -2.90 0.24 0.00 1.34 0.00 0.00 72.50 71.14 2cwa s THR 23 CO -0.00 -0.15 2.09 -0.65 -0.54 0.00 0.00 174.62 175.37 2cwa h PRO 24 N -1.31 0.07 0.00 3.99 0.11 -2.01 -0.98 132.00 131.87 2cwa h PRO 24 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2cwa h PRO 24 Cb 1.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2cwa h PRO 24 CO 0.62 0.10 0.00 0.00 -0.21 0.00 0.00 178.00 178.51 2cwa n ALA 25 N -2.52 2.54 -0.73 -0.75 0.00 -1.26 -4.89 120.51 112.90 2cwa n ALA 25 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2cwa n ALA 25 Cb 0.13 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.37 2cwa n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cwa n GLY 26 N 0.66 0.57 3.64 0.00 0.00 -0.37 -5.04 105.19 104.65 2cwa n GLY 26 Ca 0.10 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 2cwa n GLY 26 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cwa s LEU 27 N 0.00 4.08 0.16 0.99 2.96 -1.26 -4.81 118.68 120.79 2cwa s LEU 27 Ca 0.00 0.95 -0.30 0.00 -0.22 0.00 0.00 54.13 54.56 2cwa s LEU 27 Cb 0.00 -3.10 -0.07 0.00 0.50 0.00 0.00 46.19 43.51 2cwa s LEU 27 CO 0.00 -0.48 1.18 0.00 -1.32 0.00 0.00 176.35 175.73 2cwa s ALA 28 N 2.76 3.42 -0.14 5.97 0.00 -1.26 -1.58 121.76 130.92 2cwa s ALA 28 Ca 0.33 0.91 -0.00 0.00 0.00 0.00 0.00 51.96 53.19 2cwa s ALA 28 Cb -0.15 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.59 2cwa s ALA 28 CO 0.08 -0.36 -0.07 0.42 0.00 0.00 0.00 175.76 175.82 2cwa s ILE 29 N 0.17 1.12 -0.28 0.00 1.01 0.11 -1.48 121.20 121.84 2cwa s ILE 29 Ca 0.54 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.72 2cwa s ILE 29 Cb -0.31 -1.20 0.06 0.00 0.01 0.00 0.00 42.46 41.02 2cwa s ILE 29 CO 0.35 0.27 -0.06 -0.22 0.00 0.00 0.00 174.94 175.28 2cwa s LEU 30 N 1.65 3.75 -0.18 2.97 2.96 -0.04 -1.21 118.68 128.59 2cwa s LEU 30 Ca 0.03 -1.45 -0.13 0.00 -0.22 0.00 0.00 54.13 52.35 2cwa s LEU 30 Cb -0.14 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 2cwa s LEU 30 CO -0.08 -0.24 0.28 -1.81 -1.32 0.00 0.00 176.35 173.18 2cwa s ASP 31 N 1.15 6.38 0.16 3.68 1.01 -0.86 -0.55 116.67 127.64 2cwa s ASP 31 Ca -0.06 0.44 0.07 0.00 0.71 0.00 0.00 52.55 53.72 2cwa s ASP 31 Cb -0.20 -2.17 -0.04 0.00 1.01 0.00 0.00 42.92 41.52 2cwa s ASP 31 CO -0.04 0.08 -0.16 -0.76 0.21 0.00 0.00 175.17 174.50 2cwa s LEU 32 N 0.62 2.46 -0.21 1.23 1.02 0.37 -1.99 118.68 122.18 2cwa s LEU 32 Ca 0.15 -0.90 0.02 0.00 0.02 0.00 0.00 54.13 53.42 2cwa s LEU 32 Cb -0.13 -0.69 0.04 0.00 0.02 0.00 0.00 46.19 45.43 2cwa s LEU 32 CO 0.04 -0.11 -0.14 -0.89 0.02 0.00 0.00 176.35 175.26 2cwa s THR 33 N -2.38 1.98 -0.14 5.49 2.01 -1.26 -0.01 115.64 121.33 2cwa s THR 33 Ca 0.16 -1.21 -0.09 0.00 0.31 0.00 0.00 61.69 60.86 2cwa s THR 33 Cb -0.04 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 2cwa s THR 33 CO 0.05 0.23 0.16 -0.76 -0.69 0.00 0.00 174.62 173.62 2cwa s LEU 34 N 1.25 4.34 -0.03 4.42 1.02 0.47 -1.18 118.68 128.97 2cwa s LEU 34 Ca -0.02 0.44 0.04 0.00 0.02 0.00 0.00 54.13 54.61 2cwa s LEU 34 Cb -0.16 -2.12 -0.01 0.00 0.02 0.00 0.00 46.19 43.92 2cwa s LEU 34 CO -0.09 0.32 -0.15 0.00 0.02 0.00 0.00 176.35 176.46 2cwa s ALA 35 N -0.57 1.27 0.27 4.21 0.00 0.07 0.10 121.76 127.11 2cwa s ALA 35 Ca 0.14 -0.60 -0.19 0.00 0.00 0.00 0.00 51.96 51.31 2cwa s ALA 35 Cb -0.12 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.62 2cwa s ALA 35 CO 0.03 0.26 0.65 0.20 0.00 0.00 0.00 175.76 176.90 2cwa s GLY 36 N -0.09 0.08 0.14 0.00 0.00 -0.70 -1.20 107.32 105.55 2cwa s GLY 36 Ca 0.00 -0.46 -0.13 0.00 0.00 0.00 0.00 44.72 44.13 2cwa s GLY 36 CO 0.01 -0.23 0.36 -0.86 0.00 0.00 0.00 173.10 172.37 2cwa s GLN 37 N -3.95 1.11 0.28 2.90 -2.07 0.12 -0.83 119.66 117.22 2cwa s GLN 37 Ca 0.14 -0.89 -0.20 0.00 -1.82 0.00 0.00 55.36 52.59 2cwa s GLN 37 Cb -0.05 0.44 0.02 0.00 -1.09 0.00 0.00 33.01 32.33 2cwa s GLN 37 CO 0.07 -0.43 0.68 0.34 -1.32 0.00 0.00 175.29 174.64 2cwa s ASP 38 N -2.87 -0.23 -0.22 12.60 2.15 0.02 -0.80 116.67 127.33 2cwa s ASP 38 Ca 0.08 -0.67 0.02 0.00 0.43 0.00 0.00 52.55 52.41 2cwa s ASP 38 Cb 0.02 0.71 0.04 0.00 -0.30 0.00 0.00 42.92 43.39 2cwa s ASP 38 CO -0.07 -1.32 -0.15 -0.22 -0.17 0.00 0.00 175.17 173.23 2cwa s LEU 39 N -2.94 2.85 -0.15 -1.34 0.20 -1.26 -0.86 118.68 115.18 2cwa s LEU 39 Ca 0.13 -1.05 -0.08 0.00 0.69 0.00 0.00 54.13 53.82 2cwa s LEU 39 Cb -0.05 -1.52 -0.24 0.00 -0.43 0.00 0.00 46.19 43.94 2cwa s LEU 39 CO 0.07 -0.10 0.29 0.18 -0.29 0.00 0.00 176.35 176.50 2cwa n LEU 40 N 4.52 2.55 -1.91 -0.68 4.77 -1.26 -4.98 117.00 120.00 2cwa n LEU 40 Ca -0.17 0.22 -0.01 0.00 -0.03 0.00 0.00 56.01 56.02 2cwa n LEU 40 Cb 0.46 -1.08 -0.00 0.00 -2.33 0.00 0.00 43.42 40.46 2cwa n LEU 40 CO 0.23 0.78 -0.33 -1.14 -1.33 0.00 0.00 177.39 175.60 2cwa n ARG 48 N -3.61 -3.28 -3.09 3.23 0.63 -1.26 -5.06 116.66 104.21 2cwa n ARG 48 Ca -0.33 2.57 -0.40 0.00 -0.92 0.00 0.00 57.85 58.77 2cwa n ARG 48 Cb 0.99 -3.27 -0.05 0.00 0.45 0.00 0.00 32.46 30.57 2cwa n ARG 48 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2cwa s GLU 49 N -1.07 4.26 0.10 -0.14 -1.05 -1.26 -4.98 118.70 114.56 2cwa s GLU 49 Ca -0.03 0.69 0.10 0.00 -0.15 0.00 0.00 54.97 55.58 2cwa s GLU 49 Cb 0.00 -3.55 -0.04 0.00 -0.44 0.00 0.00 34.13 30.11 2cwa s GLU 49 CO 0.08 -0.18 -0.25 0.14 0.95 0.00 0.00 175.26 175.99 2cwa s VAL 50 N 1.70 2.08 0.04 1.83 -7.23 -0.04 -5.00 120.40 113.78 2cwa s VAL 50 Ca 0.31 -1.59 -0.01 0.00 -1.81 0.00 0.00 61.98 58.89 2cwa s VAL 50 Cb -0.16 -1.83 -0.03 0.00 0.56 0.00 0.00 36.38 34.91 2cwa s VAL 50 CO 0.12 0.13 -0.03 -0.94 -0.31 0.00 0.00 175.10 174.07 2cwa s SER 51 N -1.77 0.45 0.02 4.85 1.04 -1.26 -0.80 113.70 116.22 2cwa s SER 51 Ca 0.12 -0.83 -0.23 0.00 0.48 0.00 0.00 55.95 55.48 2cwa s SER 51 Cb -0.10 0.16 0.05 0.00 0.10 0.00 0.00 66.02 66.23 2cwa s SER 51 CO 0.04 -0.49 0.51 -1.66 0.98 0.00 0.00 173.24 172.62 2cwa s TRP 52 N -3.09 -0.42 -0.19 5.02 1.48 -0.01 -4.98 118.94 116.74 2cwa s TRP 52 Ca -0.00 0.56 -0.01 0.00 -1.06 0.00 0.00 56.10 55.58 2cwa s TRP 52 Cb 0.02 0.31 0.05 0.00 -1.16 0.00 0.00 33.47 32.69 2cwa s TRP 52 CO -0.07 -0.59 -0.01 0.71 -4.06 0.00 0.00 176.95 172.93 2cwa s TYR 53 N -2.02 1.51 -0.12 1.66 2.02 -1.26 -1.72 117.35 117.43 2cwa s TYR 53 Ca -0.08 -1.10 0.02 0.00 -0.37 0.00 0.00 57.07 55.54 2cwa s TYR 53 Cb -0.01 -1.22 -0.00 0.00 -0.40 0.00 0.00 41.96 40.32 2cwa s TYR 53 CO 0.02 -0.64 -0.20 -1.01 -1.57 0.00 0.00 175.55 172.15 2cwa s HIS 54 N 1.69 2.67 -0.08 2.71 3.76 0.11 -4.93 115.29 121.22 2cwa s HIS 54 Ca -0.02 -0.96 -0.25 0.00 -0.15 0.00 0.00 55.06 53.68 2cwa s HIS 54 Cb -0.17 -1.78 -0.03 0.00 1.11 0.00 0.00 32.58 31.71 2cwa s HIS 54 CO -0.07 -0.39 0.77 1.03 -0.85 0.00 0.00 174.74 175.23 2cwa s ARG 55 N 0.45 4.42 0.04 1.40 0.52 -1.26 -0.39 118.95 124.12 2cwa s ARG 55 Ca -0.14 0.99 0.07 0.00 -0.52 0.00 0.00 55.73 56.14 2cwa s ARG 55 Cb -0.17 -3.48 -0.02 0.00 0.52 0.00 0.00 34.95 31.79 2cwa s ARG 55 CO 0.06 -0.06 -0.21 0.08 0.02 0.00 0.00 175.30 175.19 2cwa s VAL 56 N 1.19 1.68 -0.18 3.52 1.01 0.98 -4.15 120.40 124.46 2cwa s VAL 56 Ca 0.40 -1.19 0.01 0.00 0.00 0.00 0.00 61.98 61.20 2cwa s VAL 56 Cb -0.18 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.76 2cwa s VAL 56 CO 0.18 0.23 -0.19 -0.60 0.00 0.00 0.00 175.10 174.72 2cwa s ARG 57 N -1.14 3.03 0.00 2.72 3.52 -0.36 -0.48 118.95 126.24 2cwa s ARG 57 Ca 0.08 -0.82 -0.02 0.00 -0.13 0.00 0.00 55.73 54.84 2cwa s ARG 57 Cb -0.09 -2.58 -0.04 0.00 -1.56 0.00 0.00 34.95 30.68 2cwa s ARG 57 CO 0.02 -0.17 0.18 -0.51 -0.81 0.00 0.00 175.30 174.01 2cwa s LEU 58 N 1.21 4.34 0.28 -0.88 1.43 0.29 -0.85 118.68 124.50 2cwa s LEU 58 Ca 0.03 0.32 0.04 0.00 -1.03 0.00 0.00 54.13 53.49 2cwa s LEU 58 Cb -0.14 -2.65 -0.06 0.00 0.03 0.00 0.00 46.19 43.38 2cwa s LEU 58 CO -0.10 0.25 0.03 -0.76 0.23 0.00 0.00 176.35 176.00 2cwa s LEU 59 N -2.01 2.13 0.00 1.79 1.43 -1.26 -0.86 118.68 119.90 2cwa s LEU 59 Ca 0.28 -1.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.08 2cwa s LEU 59 Cb -0.13 -0.30 0.00 0.00 0.03 0.00 0.00 46.19 45.79 2cwa s LEU 59 CO 0.20 -0.57 0.00 0.61 0.23 0.00 0.00 176.35 176.82 2cwa n GLY 60 N -0.55 2.25 0.29 -3.19 0.00 -0.55 -2.29 105.19 101.16 2cwa n GLY 60 Ca -0.03 -0.20 0.03 0.00 0.00 0.00 0.00 46.02 45.82 2cwa n GLY 60 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2cwa h ARG 61 N 0.00 0.48 0.00 1.61 0.11 -1.99 -0.78 114.38 113.81 2cwa h ARG 61 Ca 0.00 -0.05 -0.04 0.00 0.10 0.00 0.00 59.98 60.00 2cwa h ARG 61 Cb 0.00 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 30.98 2cwa h ARG 61 CO 0.00 0.37 -0.18 1.96 0.10 0.00 0.00 179.97 182.22 2cwa h GLN 62 N 0.49 0.00 0.04 0.08 1.08 -1.86 -3.14 115.11 111.80 2cwa h GLN 62 Ca 0.13 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.22 2cwa h GLN 62 Cb 0.04 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2cwa h GLN 62 CO -0.02 0.18 -0.53 0.00 -0.95 0.00 0.00 178.83 177.51 2cwa h ALA 63 N 1.82 0.05 0.00 3.87 0.00 -0.84 -3.34 119.26 120.81 2cwa h ALA 63 Ca -0.00 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.18 2cwa h ALA 63 Cb 0.71 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2cwa h ALA 63 CO 0.02 0.28 0.08 0.39 0.00 0.00 0.00 179.25 180.03 2cwa n GLU 64 N -4.41 0.04 0.00 0.00 1.02 -0.40 -2.75 120.64 114.14 2cwa n GLU 64 Ca -0.16 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 2cwa n GLU 64 Cb 0.63 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 2cwa n GLU 64 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 2cwa n TRP 66 N 2.16 0.00 -2.10 -0.32 7.02 -1.26 -4.92 117.44 118.02 2cwa n TRP 66 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 2cwa n TRP 66 Cb 0.02 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.88 2cwa n TRP 66 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 2cwa s GLY 67 N 0.00 1.80 -1.46 6.99 0.00 -1.11 -2.56 107.32 110.98 2cwa s GLY 67 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 44.72 45.83 2cwa s GLY 67 CO 0.00 2.54 0.00 1.22 0.00 0.00 0.00 173.10 176.86 2cwa n ASP 68 N 4.64 -4.69 0.00 1.64 8.00 -1.26 -4.85 116.55 120.04 2cwa n ASP 68 Ca 0.13 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.85 2cwa n ASP 68 Cb 0.42 -3.63 0.00 0.00 -0.02 0.00 0.00 41.12 37.89 2cwa n ASP 68 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2cwa n LEU 69 N -1.86 0.00 -4.62 0.64 4.32 -1.06 -5.04 117.00 109.37 2cwa n LEU 69 Ca -0.16 -0.05 -0.34 0.00 -0.02 0.00 0.00 56.01 55.44 2cwa n LEU 69 Cb 0.54 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.24 2cwa n LEU 69 CO 0.22 0.00 -0.30 -0.76 -1.22 0.00 0.00 177.39 175.32 2cwa s LEU 70 N -2.57 3.56 0.33 2.23 1.43 -1.24 -5.11 118.68 117.31 2cwa s LEU 70 Ca 0.00 0.06 0.07 0.00 -1.03 0.00 0.00 54.13 53.23 2cwa s LEU 70 Cb 0.00 -1.85 -0.07 0.00 0.03 0.00 0.00 46.19 44.31 2cwa s LEU 70 CO 0.00 0.27 -0.03 -0.62 0.23 0.00 0.00 176.35 176.20 2cwa s ASP 71 N -0.24 3.15 0.38 2.29 -1.08 -1.26 -4.41 116.67 115.49 2cwa s ASP 71 Ca 0.06 -1.27 -0.26 0.00 -0.52 0.00 0.00 52.55 50.56 2cwa s ASP 71 Cb -0.12 -0.24 -0.11 0.00 -1.46 0.00 0.00 42.92 40.98 2cwa s ASP 71 CO 0.02 -0.39 1.18 1.67 0.52 0.00 0.00 175.17 178.17 2cwa n GLN 72 N -0.74 1.78 0.00 4.34 7.27 -1.26 -2.13 117.38 126.64 2cwa n GLN 72 Ca -0.05 0.63 0.00 0.00 0.07 0.00 0.00 57.00 57.65 2cwa n GLN 72 Cb 0.65 -2.22 0.00 0.00 2.41 0.00 0.00 30.24 31.08 2cwa n GLN 72 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2cwa n GLY 73 N 0.94 2.94 3.67 1.69 0.00 0.85 -4.93 105.19 110.36 2cwa n GLY 73 Ca 0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 2cwa n GLY 73 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2cwa n GLN 74 N -0.33 2.03 -3.22 1.61 -0.06 -0.91 -4.38 117.38 112.11 2cwa n GLN 74 Ca 0.00 0.73 -0.39 0.00 -2.00 0.00 0.00 57.00 55.34 2cwa n GLN 74 Cb 0.00 -2.41 -0.06 0.00 -4.06 0.00 0.00 30.24 23.72 2cwa n GLN 74 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2cwa s LEU 75 N 0.30 4.42 0.05 1.69 1.43 -1.26 -0.89 118.68 124.42 2cwa s LEU 75 Ca 0.71 1.15 0.01 0.00 -1.03 0.00 0.00 54.13 54.97 2cwa s LEU 75 Cb -0.67 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 2cwa s LEU 75 CO 0.47 0.12 -0.05 0.68 0.23 0.00 0.00 176.35 177.80 2cwa s VAL 76 N -0.28 0.36 -0.18 -1.59 -7.23 -0.23 -0.80 120.40 110.44 2cwa s VAL 76 Ca 0.30 -1.42 -0.02 0.00 -1.81 0.00 0.00 61.98 59.03 2cwa s VAL 76 Cb -0.18 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 35.75 2cwa s VAL 76 CO 0.17 -0.70 -0.10 0.12 -0.31 0.00 0.00 175.10 174.29 2cwa s PHE 77 N -2.61 2.88 -0.09 2.82 5.36 0.15 -2.28 117.98 124.22 2cwa s PHE 77 Ca -0.02 -0.94 0.03 0.00 -0.96 0.00 0.00 56.93 55.04 2cwa s PHE 77 Cb -0.02 -1.99 -0.01 0.00 -0.34 0.00 0.00 43.02 40.66 2cwa s PHE 77 CO -0.04 -0.47 -0.19 0.08 -1.46 0.00 0.00 175.22 173.14 2cwa s VAL 78 N 1.06 2.56 -0.18 3.12 1.01 0.12 -1.18 120.40 126.90 2cwa s VAL 78 Ca 0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 2cwa s VAL 78 Cb -0.15 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.24 2cwa s VAL 78 CO -0.02 0.56 -0.14 -0.70 0.00 0.00 0.00 175.10 174.80 2cwa s GLU 79 N -0.01 3.18 0.00 2.72 2.12 -0.79 -1.35 118.70 124.57 2cwa s GLU 79 Ca -0.06 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.53 2cwa s GLU 79 Cb -0.15 -2.71 0.00 0.00 0.26 0.00 0.00 34.13 31.53 2cwa s GLU 79 CO 0.05 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.05 2cwa n GLY 80 N 4.46 4.00 3.59 -1.50 0.00 -0.11 -0.36 105.19 115.27 2cwa n GLY 80 Ca -0.19 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 2cwa n GLY 80 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2cwa s ARG 81 N 2.59 1.34 0.11 1.61 1.70 -0.35 -0.75 118.95 125.20 2cwa s ARG 81 Ca 0.00 -0.61 -0.16 0.00 -0.47 0.00 0.00 55.73 54.49 2cwa s ARG 81 Cb 0.00 0.54 -0.07 0.00 -0.57 0.00 0.00 34.95 34.85 2cwa s ARG 81 CO 0.00 -0.60 0.56 -0.51 -1.08 0.00 0.00 175.30 173.67 2cwa s LEU 82 N -2.77 4.42 -0.11 -1.89 1.43 -1.26 -1.05 118.68 117.44 2cwa s LEU 82 Ca 0.06 1.16 -0.01 0.00 -1.03 0.00 0.00 54.13 54.30 2cwa s LEU 82 Cb -0.02 -3.10 0.03 0.00 0.03 0.00 0.00 46.19 43.13 2cwa s LEU 82 CO -0.05 0.18 -0.02 -0.70 0.23 0.00 0.00 176.35 175.99 2cwa s GLU 83 N -1.58 0.92 0.10 1.70 2.12 -0.29 -4.93 118.70 116.74 2cwa s GLU 83 Ca 0.34 -0.12 -0.10 0.00 0.36 0.00 0.00 54.97 55.45 2cwa s GLU 83 Cb -0.17 -1.38 -0.06 0.00 0.26 0.00 0.00 34.13 32.78 2cwa s GLU 83 CO 0.19 -0.35 0.42 -0.47 -0.54 0.00 0.00 175.26 174.51 2cwa s TYR 84 N 1.86 3.57 -0.18 5.30 5.04 -1.26 -1.34 117.35 130.34 2cwa s TYR 84 Ca 0.04 0.81 -0.14 0.00 -2.44 0.00 0.00 57.07 55.33 2cwa s TYR 84 Cb -0.13 -2.18 0.05 0.00 0.35 0.00 0.00 41.96 40.05 2cwa s TYR 84 CO -0.07 0.49 0.46 0.50 -1.34 0.00 0.00 175.55 175.59 2cwa s ARG 85 N -2.01 0.50 -0.22 4.97 3.52 -0.39 -4.96 118.95 120.37 2cwa s ARG 85 Ca 0.35 0.71 -0.09 0.00 -0.13 0.00 0.00 55.73 56.57 2cwa s ARG 85 Cb -0.14 0.17 -0.05 0.00 -1.56 0.00 0.00 34.95 33.37 2cwa s ARG 85 CO 0.19 -0.10 0.12 -0.65 -0.81 0.00 0.00 175.30 174.05 2cwa s GLN 86 N 0.67 4.05 0.38 5.12 -0.21 -1.26 0.16 119.66 128.57 2cwa s GLN 86 Ca -0.03 -0.29 0.04 0.00 0.02 0.00 0.00 55.36 55.09 2cwa s GLN 86 Cb -0.05 -3.41 -0.05 0.00 1.00 0.00 0.00 33.01 30.51 2cwa s GLN 86 CO -0.05 0.16 0.07 -1.54 -2.12 0.00 0.00 175.29 171.81 2cwa s SER 95 N 0.74 2.83 -0.19 5.90 1.04 -1.26 -5.26 113.70 117.49 2cwa s SER 95 Ca 0.06 -1.50 -0.15 0.00 0.48 0.00 0.00 55.95 54.85 2cwa s SER 95 Cb -0.13 0.14 0.06 0.00 0.10 0.00 0.00 66.02 66.19 2cwa s SER 95 CO 0.02 -0.72 0.50 -0.70 0.98 0.00 0.00 173.24 173.31 2cwa s GLU 96 N -3.82 0.54 -0.32 4.02 2.12 0.12 -5.08 118.70 116.28 2cwa s GLU 96 Ca 0.29 0.80 0.01 0.00 0.36 0.00 0.00 54.97 56.43 2cwa s GLU 96 Cb 0.06 0.17 0.08 0.00 0.26 0.00 0.00 34.13 34.70 2cwa s GLU 96 CO 0.14 -0.11 0.02 -1.17 -0.54 0.00 0.00 175.26 173.60 2cwa s LEU 97 N 0.81 4.27 0.23 2.70 2.96 -1.26 -1.26 118.68 127.12 2cwa s LEU 97 Ca -0.04 -1.70 0.05 0.00 -0.22 0.00 0.00 54.13 52.21 2cwa s LEU 97 Cb -0.05 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 2cwa s LEU 97 CO -0.06 -0.33 0.34 0.00 -1.32 0.00 0.00 176.35 174.98 2cwa s GLN 98 N 1.09 3.41 -0.40 1.98 -2.07 -0.45 -4.50 119.66 118.72 2cwa s GLN 98 Ca 0.01 -0.75 -0.13 0.00 -1.82 0.00 0.00 55.36 52.67 2cwa s GLN 98 Cb -0.20 -2.88 0.03 0.00 -1.09 0.00 0.00 33.01 28.86 2cwa s GLN 98 CO -0.05 0.44 0.26 0.42 -1.32 0.00 0.00 175.29 175.05 2cwa s ILE 99 N -1.95 4.95 -0.26 3.63 1.01 -1.26 -1.14 121.20 126.18 2cwa s ILE 99 Ca 0.34 -0.77 -0.16 0.00 0.00 0.00 0.00 60.65 60.06 2cwa s ILE 99 Cb -0.09 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 2cwa s ILE 99 CO 0.29 -0.29 0.43 -0.60 0.00 0.00 0.00 174.94 174.76 2cwa s ARG 100 N 1.62 4.05 -0.22 2.79 6.06 -0.22 -1.23 118.95 131.81 2cwa s ARG 100 Ca 0.04 0.16 -0.20 0.00 -2.50 0.00 0.00 55.73 53.22 2cwa s ARG 100 Cb -0.19 -3.64 -0.02 0.00 0.06 0.00 0.00 34.95 31.15 2cwa s ARG 100 CO 0.08 -0.27 0.61 0.00 -2.50 0.00 0.00 175.30 173.22 2cwa s ALA 101 N 2.06 3.57 -0.01 6.12 0.00 -0.03 -1.21 121.76 132.26 2cwa s ALA 101 Ca 0.18 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.80 2cwa s ALA 101 Cb -0.16 -2.97 -0.26 0.00 0.00 0.00 0.00 23.12 19.74 2cwa s ALA 101 CO 0.09 -0.63 0.82 -0.44 0.00 0.00 0.00 175.76 175.60 2cwa h ASP 102 N 7.63 0.27 -4.85 0.00 3.32 -1.00 -3.40 116.42 118.39 2cwa h ASP 102 Ca -0.30 -0.41 -0.16 0.00 0.02 0.00 0.00 57.03 56.18 2cwa h ASP 102 Cb 1.14 -0.09 -0.21 0.00 0.22 0.00 0.00 39.33 40.39 2cwa h ASP 102 CO 0.77 1.35 -0.60 -0.36 -1.72 0.00 0.00 179.24 178.67 2cwa s PHE 103 N -2.62 0.13 -0.01 4.55 0.08 -0.85 -4.87 117.98 114.39 2cwa s PHE 103 Ca -0.08 -0.29 0.02 0.00 0.12 0.00 0.00 56.93 56.70 2cwa s PHE 103 Cb 0.07 -0.11 -0.00 0.00 -0.57 0.00 0.00 43.02 42.42 2cwa s PHE 103 CO 0.84 -0.22 -0.05 -1.17 -0.10 0.00 0.00 175.22 174.52 2cwa s LEU 104 N -1.27 1.94 -0.06 -0.37 0.20 -1.26 -1.89 118.68 115.98 2cwa s LEU 104 Ca -0.14 -0.10 -0.01 0.00 0.69 0.00 0.00 54.13 54.58 2cwa s LEU 104 Cb -0.08 -0.29 0.03 0.00 -0.43 0.00 0.00 46.19 45.42 2cwa s LEU 104 CO 0.00 0.05 0.00 -1.81 -0.29 0.00 0.00 176.35 174.31 2cwa s ASP 105 N -0.03 1.23 0.54 3.68 1.01 -0.32 -4.98 116.67 117.80 2cwa s ASP 105 Ca 0.01 -0.06 -0.19 0.00 0.71 0.00 0.00 52.55 53.01 2cwa s ASP 105 Cb -0.03 -0.37 -0.06 0.00 1.01 0.00 0.00 42.92 43.47 2cwa s ASP 105 CO -0.00 -0.16 1.13 -2.16 0.21 0.00 0.00 175.17 174.18 2cwa s PRO 106 N 1.66 3.38 0.07 8.23 0.04 -1.26 -0.68 135.00 146.44 2cwa s PRO 106 Ca -0.00 1.60 0.07 0.00 0.04 0.00 0.00 61.00 62.71 2cwa s PRO 106 Cb -0.13 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2cwa s PRO 106 CO -0.04 -0.83 -0.18 -0.51 0.04 0.00 0.00 177.00 175.48 2cwa s LEU 107 N -3.78 2.25 0.36 -3.56 1.43 0.02 -4.85 118.68 110.54 2cwa s LEU 107 Ca 0.73 -0.60 -0.28 0.00 -1.03 0.00 0.00 54.13 52.95 2cwa s LEU 107 Cb -0.24 -0.77 -0.10 0.00 0.03 0.00 0.00 46.19 45.12 2cwa s LEU 107 CO 0.27 0.04 1.30 -0.62 0.23 0.00 0.00 176.35 177.56 2cwa s ASP 108 N -1.61 6.60 -0.03 2.29 -1.08 -1.26 -4.36 116.67 117.23 2cwa s ASP 108 Ca 0.04 2.66 0.20 0.00 -0.52 0.00 0.00 52.55 54.93 2cwa s ASP 108 Cb -0.09 -2.64 0.63 0.00 -1.46 0.00 0.00 42.92 39.35 2cwa s ASP 108 CO 0.03 -0.65 1.53 -0.90 0.52 0.00 0.00 175.17 175.70 2cwa n ASP 109 N 0.53 4.04 -4.68 -0.34 5.68 -1.26 -4.93 116.55 115.59 2cwa n ASP 109 Ca 0.01 -2.12 -0.46 0.00 -0.50 0.00 0.00 54.79 51.73 2cwa n ASP 109 Cb 0.43 -0.48 -0.04 0.00 -1.14 0.00 0.00 41.12 39.88 2cwa n ASP 109 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 2cwa n ARG 110 N 1.38 2.32 -0.99 0.11 0.63 -1.26 -0.86 116.66 117.99 2cwa n ARG 110 Ca 0.23 0.84 0.00 0.00 -0.92 0.00 0.00 57.85 58.01 2cwa n ARG 110 Cb 0.67 -2.67 0.00 0.00 0.45 0.00 0.00 32.46 30.91 2cwa n ARG 110 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2cwa n GLY 111 N 3.92 0.93 3.87 5.14 0.00 -1.26 -5.02 105.19 112.76 2cwa n GLY 111 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 2cwa n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cwa s LYS 112 N -0.03 3.25 -0.01 1.61 3.01 -0.04 -5.12 119.74 122.41 2cwa s LYS 112 Ca 0.00 -0.54 0.07 0.00 -1.01 0.00 0.00 55.97 54.49 2cwa s LYS 112 Cb 0.00 -2.93 -0.02 0.00 -1.01 0.00 0.00 37.83 33.88 2cwa s LYS 112 CO 0.00 0.59 -0.22 -1.21 0.51 0.00 0.00 175.35 175.01 2cwa s GLU 113 N -2.55 1.75 0.06 1.68 2.02 -1.26 -5.04 118.70 115.36 2cwa s GLU 113 Ca 0.33 -0.83 0.06 0.00 0.02 0.00 0.00 54.97 54.55 2cwa s GLU 113 Cb -0.13 -1.72 -0.04 0.00 0.10 0.00 0.00 34.13 32.35 2cwa s GLU 113 CO 0.26 0.47 -0.12 1.03 0.02 0.00 0.00 175.26 176.92 2cwa s ARG 114 N -0.64 2.21 0.29 1.61 0.52 -1.26 -1.45 118.95 120.23 2cwa s ARG 114 Ca 0.09 -0.94 0.07 0.00 -0.52 0.00 0.00 55.73 54.43 2cwa s ARG 114 Cb -0.09 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 33.04 2cwa s ARG 114 CO -0.00 0.54 0.26 0.00 0.02 0.00 0.00 175.30 176.11 2cwa s ALA 115 N -1.07 3.74 -0.10 2.13 0.00 0.16 -4.89 121.76 121.72 2cwa s ALA 115 Ca 0.18 -1.52 0.02 0.00 0.00 0.00 0.00 51.96 50.64 2cwa s ALA 115 Cb -0.11 -1.27 0.01 0.00 0.00 0.00 0.00 23.12 21.75 2cwa s ALA 115 CO 0.09 0.13 -0.15 -2.00 0.00 0.00 0.00 175.76 173.84 2cwa s GLU 116 N -3.93 2.13 0.92 0.00 2.12 -1.26 -0.55 118.70 118.13 2cwa s GLU 116 Ca 0.37 -0.53 -0.15 0.00 0.36 0.00 0.00 54.97 55.02 2cwa s GLU 116 Cb -0.07 -1.81 0.16 0.00 0.26 0.00 0.00 34.13 32.67 2cwa s GLU 116 CO 0.26 -0.05 1.27 0.16 -0.54 0.00 0.00 175.26 176.36 2cwa s ASP 117 N 0.95 3.52 0.66 -1.70 1.47 -0.30 -4.88 116.67 116.40 2cwa s ASP 117 Ca -0.08 0.46 0.36 0.00 1.18 0.00 0.00 52.55 54.47 2cwa s ASP 117 Cb -0.15 -0.66 1.96 0.00 -0.34 0.00 0.00 42.92 43.73 2cwa s ASP 117 CO -0.01 -2.49 2.11 0.77 0.68 0.00 0.00 175.17 176.23 2cwa h SER 118 N -1.47 0.00 -0.56 2.11 4.64 -2.01 0.26 113.55 116.52 2cwa h SER 118 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2cwa h SER 118 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2cwa h SER 118 CO 0.47 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.97 2cwa n ARG 119 N -3.01 2.47 -1.02 4.77 1.74 -1.26 -4.93 116.66 115.42 2cwa n ARG 119 Ca -0.02 -2.27 -0.01 0.00 -0.77 0.00 0.00 57.85 54.78 2cwa n ARG 119 Cb 0.26 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.19 2cwa n ARG 119 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cwa n GLY 120 N 1.51 0.48 3.80 -0.13 0.00 0.08 -5.03 105.19 105.92 2cwa n GLY 120 Ca 0.21 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 2cwa n GLY 120 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cwa s GLN 121 N -0.92 4.05 0.37 1.61 -0.21 -1.26 -4.82 119.66 118.48 2cwa s GLN 121 Ca 0.00 0.44 -0.24 0.00 0.02 0.00 0.00 55.36 55.58 2cwa s GLN 121 Cb 0.00 -3.28 -0.10 0.00 1.00 0.00 0.00 33.01 30.63 2cwa s GLN 121 CO 0.00 0.55 0.98 -1.25 -2.12 0.00 0.00 175.29 173.45 2cwa s PRO 122 N -0.65 4.36 -0.04 2.91 0.04 -1.26 -1.14 135.00 139.22 2cwa s PRO 122 Ca 0.24 1.34 0.01 0.00 0.04 0.00 0.00 61.00 62.64 2cwa s PRO 122 Cb -0.16 -2.57 0.02 0.00 0.04 0.00 0.00 34.50 31.83 2cwa s PRO 122 CO 0.13 0.07 -0.06 1.03 0.04 0.00 0.00 177.00 178.21 2cwa s ARG 123 N -2.47 0.86 -0.02 4.56 0.52 0.28 -4.37 118.95 118.32 2cwa s ARG 123 Ca 0.56 -0.17 -0.30 0.00 -0.52 0.00 0.00 55.73 55.30 2cwa s ARG 123 Cb -0.17 -0.83 -0.03 0.00 0.52 0.00 0.00 34.95 34.43 2cwa s ARG 123 CO 0.22 -0.02 1.10 -1.17 0.02 0.00 0.00 175.30 175.46 2cwa s LEU 124 N 0.66 4.32 0.34 2.53 2.96 -0.77 0.40 118.68 129.13 2cwa s LEU 124 Ca -0.09 1.77 -0.23 0.00 -0.22 0.00 0.00 54.13 55.36 2cwa s LEU 124 Cb -0.12 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 42.90 2cwa s LEU 124 CO 0.01 -0.44 0.91 -0.13 -1.32 0.00 0.00 176.35 175.37 2cwa s ARG 125 N 1.55 4.41 -1.38 1.98 0.52 -0.53 0.12 118.95 125.62 2cwa s ARG 125 Ca 0.54 1.17 -0.08 0.00 -0.52 0.00 0.00 55.73 56.84 2cwa s ARG 125 Cb -0.24 -2.60 0.03 0.00 0.52 0.00 0.00 34.95 32.66 2cwa s ARG 125 CO 0.25 0.19 1.08 0.00 0.02 0.00 0.00 175.30 176.84 2cwa n ALA 126 N 0.17 -1.45 -1.39 2.13 0.00 0.02 -4.74 120.51 115.24 2cwa n ALA 126 Ca 0.03 0.25 -0.30 0.00 0.00 0.00 0.00 53.44 53.42 2cwa n ALA 126 Cb 0.52 -4.59 0.20 0.00 0.00 0.00 0.00 19.45 15.57 2cwa n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cwa s ALA 127 N -3.35 1.27 -0.13 0.00 0.00 -0.83 -5.01 121.76 113.70 2cwa s ALA 127 Ca 0.48 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 2cwa s ALA 127 Cb -0.22 -2.90 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 2cwa s ALA 127 CO 0.76 -2.99 -0.11 -1.17 0.00 0.00 0.00 175.76 172.25 2cwa s LEU 128 N -6.46 2.86 -0.38 0.00 2.96 -0.75 -4.92 118.68 111.99 2cwa s LEU 128 Ca 0.70 -0.27 0.04 0.00 -0.22 0.00 0.00 54.13 54.37 2cwa s LEU 128 Cb -0.10 -1.65 0.16 0.00 0.50 0.00 0.00 46.19 45.09 2cwa s LEU 128 CO 0.55 0.17 0.40 0.21 -1.32 0.00 0.00 176.35 176.36 2cwa s ASN 129 N 0.32 0.94 -0.02 3.68 3.84 -1.25 -1.16 114.94 121.29 2cwa s ASN 129 Ca -0.09 -1.54 0.01 0.00 0.21 0.00 0.00 52.86 51.45 2cwa s ASN 129 Cb -0.15 0.67 0.02 0.00 -0.55 0.00 0.00 41.25 41.23 2cwa s ASN 129 CO 0.05 -0.25 -0.03 -1.58 -2.79 0.00 0.00 177.10 172.50 2cwa s GLN 130 N 1.44 0.45 -0.00 0.43 0.74 -0.45 -4.33 119.66 117.94 2cwa s GLN 130 Ca 0.17 -0.05 0.04 0.00 0.05 0.00 0.00 55.36 55.56 2cwa s GLN 130 Cb -0.14 -0.51 -0.01 0.00 1.10 0.00 0.00 33.01 33.44 2cwa s GLN 130 CO -0.03 -0.04 -0.11 0.54 -0.55 0.00 0.00 175.29 175.10 2cwa s VAL 131 N 0.59 0.89 -0.17 1.34 0.11 0.20 -0.53 120.40 122.83 2cwa s VAL 131 Ca -0.06 -0.52 -0.02 0.00 -2.93 0.00 0.00 61.98 58.44 2cwa s VAL 131 Cb -0.10 -0.76 -0.01 0.00 -1.53 0.00 0.00 36.38 33.99 2cwa s VAL 131 CO -0.01 0.22 -0.09 -0.36 -3.33 0.00 0.00 175.10 171.54 2cwa s PHE 132 N -0.32 2.90 0.29 1.54 0.08 0.21 -0.83 117.98 121.84 2cwa s PHE 132 Ca 0.04 -0.78 0.06 0.00 0.12 0.00 0.00 56.93 56.37 2cwa s PHE 132 Cb -0.05 -1.97 -0.02 0.00 -0.57 0.00 0.00 43.02 40.41 2cwa s PHE 132 CO -0.00 -0.36 0.20 1.28 -0.10 0.00 0.00 175.22 176.24 2cwa n LEU 133 N 4.11 0.00 0.00 -0.37 4.77 0.43 -1.36 117.00 124.58 2cwa n LEU 133 Ca -0.18 -2.59 0.00 0.00 -0.03 0.00 0.00 56.01 53.21 2cwa n LEU 133 Cb 0.52 1.24 0.00 0.00 -2.33 0.00 0.00 43.42 42.85 2cwa n LEU 133 CO 0.30 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.55 2cwa n GLY 135 N -0.46 0.70 3.23 -0.72 0.00 -0.60 0.65 105.19 108.00 2cwa n GLY 135 Ca 0.04 -1.59 -0.21 0.00 0.00 0.00 0.00 46.02 44.26 2cwa n GLY 135 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cwa s ASN 136 N -4.00 2.08 0.18 1.61 0.01 -0.72 -0.30 114.94 113.81 2cwa s ASN 136 Ca 0.00 -0.66 -0.30 0.00 -0.71 0.00 0.00 52.86 51.19 2cwa s ASN 136 Cb 0.00 -0.09 -0.08 0.00 0.41 0.00 0.00 41.25 41.49 2cwa s ASN 136 CO 0.00 -0.02 1.26 -0.76 -1.51 0.00 0.00 177.10 176.07 2cwa s LEU 137 N -1.87 4.42 0.00 0.60 1.43 -0.08 -0.92 118.68 122.26 2cwa s LEU 137 Ca 0.02 2.32 0.26 0.00 -1.03 0.00 0.00 54.13 55.70 2cwa s LEU 137 Cb -0.10 -3.61 0.68 0.00 0.03 0.00 0.00 46.19 43.20 2cwa s LEU 137 CO 0.03 -0.47 1.54 0.35 0.23 0.00 0.00 176.35 178.03 2cwa n THR 138 N 2.68 0.00 -3.76 5.49 -2.24 0.01 -0.89 114.28 115.57 2cwa n THR 138 Ca 0.06 -0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.78 2cwa n THR 138 Cb 0.44 0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.73 2cwa n THR 138 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cwa s ARG 139 N -2.99 1.35 0.60 -0.78 1.70 -1.26 -4.88 118.95 112.69 2cwa s ARG 139 Ca 0.12 -0.72 -0.18 0.00 -0.47 0.00 0.00 55.73 54.48 2cwa s ARG 139 Cb 0.18 0.47 -0.03 0.00 -0.57 0.00 0.00 34.95 35.00 2cwa s ARG 139 CO 0.66 -0.61 1.14 -0.51 -1.08 0.00 0.00 175.30 174.89 2cwa s ASP 140 N -2.90 5.33 0.70 -2.89 1.01 -1.26 -3.78 116.67 112.87 2cwa s ASP 140 Ca 0.11 2.16 -0.16 0.00 0.71 0.00 0.00 52.55 55.37 2cwa s ASP 140 Cb -0.03 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.35 2cwa s ASP 140 CO 0.02 -1.49 1.24 -2.84 0.21 0.00 0.00 175.17 172.31 2cwa s PRO 141 N -3.60 2.30 -0.18 8.23 0.02 -1.26 -4.87 135.00 135.63 2cwa s PRO 141 Ca 0.72 1.88 0.01 0.00 0.02 0.00 0.00 61.00 63.62 2cwa s PRO 141 Cb -0.24 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.46 2cwa s PRO 141 CO 0.34 -1.74 -0.19 -1.21 -0.33 0.00 0.00 177.00 173.87 2cwa s GLU 142 N -3.69 3.02 -0.03 5.54 2.02 -0.59 -4.97 118.70 119.99 2cwa s GLU 142 Ca 0.77 -0.82 0.06 0.00 0.02 0.00 0.00 54.97 55.01 2cwa s GLU 142 Cb -0.32 -2.59 -0.02 0.00 0.10 0.00 0.00 34.13 31.29 2cwa s GLU 142 CO 0.43 -0.20 -0.20 -1.17 0.02 0.00 0.00 175.26 174.14 2cwa s LEU 143 N 1.27 2.39 0.13 1.80 2.96 -1.26 -0.42 118.68 125.54 2cwa s LEU 143 Ca 0.04 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.60 2cwa s LEU 143 Cb -0.13 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 2cwa s LEU 143 CO -0.12 0.33 0.06 0.00 -1.32 0.00 0.00 176.35 175.31 2cwa s ARG 144 N -0.67 0.92 -0.03 1.98 1.70 -0.41 -4.99 118.95 117.45 2cwa s ARG 144 Ca 0.11 -1.42 0.05 0.00 -0.47 0.00 0.00 55.73 54.00 2cwa s ARG 144 Cb -0.10 0.25 -0.01 0.00 -0.57 0.00 0.00 34.95 34.52 2cwa s ARG 144 CO -0.00 -0.26 -0.18 0.71 -1.08 0.00 0.00 175.30 174.49 2cwa s TYR 145 N -4.04 1.73 0.88 5.89 2.02 -1.26 -0.93 117.35 121.64 2cwa s TYR 145 Ca 0.23 -0.45 -0.12 0.00 -0.37 0.00 0.00 57.07 56.37 2cwa s TYR 145 Cb 0.07 -1.15 0.12 0.00 -0.40 0.00 0.00 41.96 40.60 2cwa s TYR 145 CO 0.01 -0.12 1.10 0.95 -1.57 0.00 0.00 175.55 175.92 2cwa s THR 146 N -0.12 2.57 0.40 -0.71 -4.23 -0.24 -4.84 115.64 108.47 2cwa s THR 146 Ca -0.00 0.19 0.14 0.00 -1.18 0.00 0.00 61.69 60.83 2cwa s THR 146 Cb -0.10 -2.82 0.35 0.00 1.34 0.00 0.00 72.50 71.27 2cwa s THR 146 CO 0.01 -0.24 1.89 -0.65 -0.54 0.00 0.00 174.62 175.09 2cwa h PRO 147 N -1.43 0.49 0.00 3.99 0.11 -2.01 0.31 132.00 133.46 2cwa h PRO 147 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2cwa h PRO 147 Cb 1.30 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2cwa h PRO 147 CO 0.58 0.32 0.00 1.04 -0.21 0.00 0.00 178.00 179.74 2cwa n GLN 148 N -4.51 0.87 -0.61 1.05 6.02 -1.26 -4.88 117.38 114.05 2cwa n GLN 148 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 2cwa n GLN 148 Cb 0.54 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.34 2cwa n GLN 148 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cwa n GLY 149 N 0.71 0.68 3.72 1.08 0.00 0.11 -5.05 105.19 106.44 2cwa n GLY 149 Ca 0.19 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2cwa n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cwa s THR 150 N -2.00 4.47 0.30 2.61 2.01 -1.25 -4.73 115.64 117.04 2cwa s THR 150 Ca 0.00 1.87 -0.27 0.00 0.31 0.00 0.00 61.69 63.59 2cwa s THR 150 Cb 0.00 -4.20 -0.09 0.00 0.01 0.00 0.00 72.50 68.22 2cwa s THR 150 CO 0.00 0.20 0.98 0.00 -0.69 0.00 0.00 174.62 175.10 2cwa s ALA 151 N 0.64 3.26 -0.06 7.40 0.00 -1.26 -1.08 121.76 130.66 2cwa s ALA 151 Ca 0.52 0.62 -0.03 0.00 0.00 0.00 0.00 51.96 53.08 2cwa s ALA 151 Cb -0.25 -3.22 0.04 0.00 0.00 0.00 0.00 23.12 19.69 2cwa s ALA 151 CO 0.30 0.09 0.12 0.08 0.00 0.00 0.00 175.76 176.34 2cwa s VAL 152 N -1.44 -0.16 -0.03 0.00 1.01 -0.11 -1.12 120.40 118.55 2cwa s VAL 152 Ca 0.48 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.81 2cwa s VAL 152 Cb -0.23 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 2cwa s VAL 152 CO 0.29 0.14 -0.09 0.00 0.00 0.00 0.00 175.10 175.43 2cwa s ALA 153 N 1.91 2.91 -0.11 5.51 0.00 0.21 -1.28 121.76 130.91 2cwa s ALA 153 Ca -0.00 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.00 2cwa s ALA 153 Cb -0.12 -1.11 0.01 0.00 0.00 0.00 0.00 23.12 21.90 2cwa s ALA 153 CO -0.05 0.58 -0.16 1.03 0.00 0.00 0.00 175.76 177.17 2cwa s ARG 154 N -1.05 2.26 0.14 0.00 0.52 0.44 -0.61 118.95 120.64 2cwa s ARG 154 Ca 0.14 -0.58 0.10 0.00 -0.52 0.00 0.00 55.73 54.87 2cwa s ARG 154 Cb -0.11 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.43 2cwa s ARG 154 CO 0.04 -0.04 -0.22 -0.51 0.02 0.00 0.00 175.30 174.59 2cwa s LEU 155 N 0.91 2.36 -0.21 2.53 1.43 0.16 -1.54 118.68 124.32 2cwa s LEU 155 Ca -0.08 -0.78 -0.04 0.00 -1.03 0.00 0.00 54.13 52.20 2cwa s LEU 155 Cb -0.15 -1.01 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 2cwa s LEU 155 CO -0.00 0.08 -0.05 -0.83 0.23 0.00 0.00 176.35 175.78 2cwa s GLY 156 N -2.28 1.61 -0.08 -3.19 0.00 -1.26 -0.56 107.32 101.56 2cwa s GLY 156 Ca 0.13 -1.13 0.03 0.00 0.00 0.00 0.00 44.72 43.75 2cwa s GLY 156 CO 0.06 0.36 -0.17 -2.27 0.00 0.00 0.00 173.10 171.09 2cwa s LEU 157 N 1.35 2.53 -0.25 0.66 2.96 0.61 -0.81 118.68 125.72 2cwa s LEU 157 Ca 0.04 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 53.57 2cwa s LEU 157 Cb -0.14 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.03 2cwa s LEU 157 CO -0.02 0.24 0.00 0.00 -1.32 0.00 0.00 176.35 175.25 2cwa s ALA 158 N -0.14 2.89 -0.24 5.97 0.00 -0.09 -0.16 121.76 130.00 2cwa s ALA 158 Ca -0.02 -1.34 -0.05 0.00 0.00 0.00 0.00 51.96 50.55 2cwa s ALA 158 Cb -0.14 -1.88 -0.01 0.00 0.00 0.00 0.00 23.12 21.09 2cwa s ALA 158 CO 0.04 -0.70 0.01 0.08 0.00 0.00 0.00 175.76 175.18 2cwa s VAL 159 N 1.45 3.75 0.20 0.00 1.01 0.58 -1.75 120.40 125.65 2cwa s VAL 159 Ca 0.03 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 2cwa s VAL 159 Cb -0.16 -2.74 -0.07 0.00 0.00 0.00 0.00 36.38 33.41 2cwa s VAL 159 CO -0.01 0.37 0.54 0.20 0.00 0.00 0.00 175.10 176.20 2cwa s ASN 160 N 1.53 6.67 -0.02 3.32 0.01 -1.26 -0.21 114.94 124.98 2cwa s ASN 160 Ca 0.06 0.95 -0.01 0.00 -0.71 0.00 0.00 52.86 53.15 2cwa s ASN 160 Cb -0.15 -2.24 0.02 0.00 0.41 0.00 0.00 41.25 39.30 2cwa s ASN 160 CO -0.00 -0.02 0.04 -1.83 -1.51 0.00 0.00 177.10 173.78 2cwa s GLU 161 N -2.57 0.00 -0.52 -0.60 -1.05 -0.67 -4.10 118.70 109.19 2cwa s GLU 161 Ca 0.44 0.15 -0.29 0.00 -0.15 0.00 0.00 54.97 55.12 2cwa s GLU 161 Cb -0.12 -0.13 0.03 0.00 -0.44 0.00 0.00 34.13 33.46 2cwa s GLU 161 CO 0.21 -0.10 1.16 1.03 0.95 0.00 0.00 175.26 178.50 2cwa s ARG 162 N 0.65 3.63 -0.04 -4.83 0.52 -1.26 -2.55 118.95 115.08 2cwa s ARG 162 Ca -0.05 0.43 -0.00 0.00 -0.52 0.00 0.00 55.73 55.58 2cwa s ARG 162 Cb -0.08 -3.95 0.03 0.00 0.52 0.00 0.00 34.95 31.47 2cwa s ARG 162 CO -0.02 -1.50 0.00 -2.00 0.02 0.00 0.00 175.30 171.80 2cwa s GLU 168 N 4.65 0.35 0.22 3.54 2.12 -1.26 -5.24 118.70 123.09 2cwa s GLU 168 Ca 0.46 0.10 0.04 0.00 0.36 0.00 0.00 54.97 55.93 2cwa s GLU 168 Cb -0.07 -0.60 -0.05 0.00 0.26 0.00 0.00 34.13 33.67 2cwa s GLU 168 CO 0.29 -0.18 -0.04 -0.98 -0.54 0.00 0.00 175.26 173.81 2cwa s ARG 169 N 1.31 1.32 -0.09 4.30 1.70 -1.06 -5.15 118.95 121.29 2cwa s ARG 169 Ca -0.06 -1.65 0.03 0.00 -0.47 0.00 0.00 55.73 53.58 2cwa s ARG 169 Cb -0.13 -0.74 -0.01 0.00 -0.57 0.00 0.00 34.95 33.50 2cwa s ARG 169 CO -0.02 -0.03 -0.18 0.99 -1.08 0.00 0.00 175.30 174.98 2cwa s THR 170 N -3.31 2.61 -0.21 4.99 2.01 -1.26 -1.67 115.64 118.80 2cwa s THR 170 Ca 0.26 -0.84 -0.05 0.00 0.31 0.00 0.00 61.69 61.37 2cwa s THR 170 Cb 0.04 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 2cwa s THR 170 CO 0.08 0.55 0.00 -1.00 -0.69 0.00 0.00 174.62 173.56 2cwa s HIS 171 N 0.02 3.03 -0.14 4.92 3.76 0.70 -4.83 115.29 122.76 2cwa s HIS 171 Ca -0.07 -0.50 -0.13 0.00 -0.15 0.00 0.00 55.06 54.21 2cwa s HIS 171 Cb -0.15 -2.10 -0.05 0.00 1.11 0.00 0.00 32.58 31.40 2cwa s HIS 171 CO 0.05 -0.28 0.29 -0.06 -0.85 0.00 0.00 174.74 173.89 2cwa s PHE 172 N 1.09 3.51 -0.02 1.40 0.08 -1.26 -0.30 117.98 122.47 2cwa s PHE 172 Ca 0.02 0.63 0.02 0.00 0.12 0.00 0.00 56.93 57.72 2cwa s PHE 172 Cb -0.14 -2.29 0.01 0.00 -0.57 0.00 0.00 43.02 40.02 2cwa s PHE 172 CO 0.01 0.34 -0.06 0.08 -0.10 0.00 0.00 175.22 175.49 2cwa s VAL 173 N 0.12 0.59 -0.14 -0.44 1.01 0.78 -4.89 120.40 117.43 2cwa s VAL 173 Ca 0.17 -0.24 -0.21 0.00 0.00 0.00 0.00 61.98 61.69 2cwa s VAL 173 Cb -0.13 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 2cwa s VAL 173 CO 0.05 0.20 0.64 -1.61 0.00 0.00 0.00 175.10 174.38 2cwa s GLU 174 N 0.32 4.32 -0.11 2.72 0.41 -1.26 -0.28 118.70 124.82 2cwa s GLU 174 Ca -0.04 0.70 0.03 0.00 -0.41 0.00 0.00 54.97 55.25 2cwa s GLU 174 Cb -0.09 -3.51 0.00 0.00 -1.78 0.00 0.00 34.13 28.76 2cwa s GLU 174 CO 0.00 -0.07 -0.22 0.08 -0.49 0.00 0.00 175.26 174.56 2cwa s VAL 175 N 1.31 1.96 -0.06 2.63 1.01 0.28 -1.89 120.40 125.64 2cwa s VAL 175 Ca 0.32 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.38 2cwa s VAL 175 Cb -0.16 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 2cwa s VAL 175 CO 0.13 0.54 -0.15 -1.58 0.00 0.00 0.00 175.10 174.04 2cwa s GLN 176 N 0.51 2.63 0.07 2.72 0.74 -0.26 0.39 119.66 126.45 2cwa s GLN 176 Ca -0.15 -0.71 0.05 0.00 0.05 0.00 0.00 55.36 54.59 2cwa s GLN 176 Cb -0.17 -2.40 -0.03 0.00 1.10 0.00 0.00 33.01 31.51 2cwa s GLN 176 CO 0.06 0.55 -0.13 0.00 -0.55 0.00 0.00 175.29 175.22 2cwa s ALA 177 N -0.53 1.09 0.24 1.58 0.00 0.22 -1.02 121.76 123.34 2cwa s ALA 177 Ca 0.07 -1.00 0.11 0.00 0.00 0.00 0.00 51.96 51.14 2cwa s ALA 177 Cb -0.12 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 2cwa s ALA 177 CO 0.01 0.11 -0.20 -1.58 0.00 0.00 0.00 175.76 174.10 2cwa s TRP 178 N -1.49 2.34 0.00 0.00 0.52 -1.26 -0.62 118.94 118.43 2cwa s TRP 178 Ca -0.02 -0.33 0.00 0.00 0.02 0.00 0.00 56.10 55.78 2cwa s TRP 178 Cb -0.09 -1.08 0.00 0.00 -1.15 0.00 0.00 33.47 31.15 2cwa s TRP 178 CO 0.02 0.62 0.00 0.54 0.02 0.00 0.00 176.95 178.15 2cwa n ARG 179 N -0.26 0.00 -0.32 4.98 1.74 -0.27 -2.19 116.66 120.33 2cwa n ARG 179 Ca -0.08 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.02 2cwa n ARG 179 Cb 0.58 0.00 0.16 0.00 -1.02 0.00 0.00 32.46 32.18 2cwa n ARG 179 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2cwa h ASP 180 N 0.00 0.83 -0.75 0.55 3.32 -1.98 -0.14 116.42 118.24 2cwa h ASP 180 Ca 0.00 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.09 2cwa h ASP 180 Cb 0.00 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 2cwa h ASP 180 CO 0.00 0.51 0.50 0.25 -1.72 0.00 0.00 179.24 178.77 2cwa h LEU 181 N 0.95 0.85 -0.33 1.55 5.85 -1.83 0.16 115.31 122.51 2cwa h LEU 181 Ca 0.40 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.94 2cwa h LEU 181 Cb 0.25 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 2cwa h LEU 181 CO -0.20 0.61 -0.41 0.00 -0.34 0.00 0.00 178.44 178.10 2cwa h ALA 182 N 1.53 0.49 -0.17 1.25 0.00 -0.70 -1.78 119.26 119.89 2cwa h ALA 182 Ca 0.28 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 2cwa h ALA 182 Cb -0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2cwa h ALA 182 CO -0.06 0.61 -0.35 0.93 0.00 0.00 0.00 179.25 180.38 2cwa h GLU 183 N 0.64 0.34 -0.56 0.00 5.08 -0.27 -1.90 114.58 117.92 2cwa h GLU 183 Ca 0.04 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 2cwa h GLU 183 Cb 1.01 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2cwa h GLU 183 CO 0.10 0.65 0.05 2.35 -1.00 0.00 0.00 179.01 181.16 2cwa h TRP 184 N 0.30 1.02 0.00 4.33 7.01 -0.58 -2.97 115.95 125.05 2cwa h TRP 184 Ca 0.03 -0.16 -0.05 0.00 2.11 0.00 0.00 58.89 60.83 2cwa h TRP 184 Cb 0.76 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 2cwa h TRP 184 CO 0.02 0.91 -0.24 0.00 -2.79 0.00 0.00 178.44 176.33 2cwa h ALA 185 N 0.98 1.19 -0.02 2.65 0.00 -0.91 -3.11 119.26 120.03 2cwa h ALA 185 Ca 0.16 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2cwa h ALA 185 Cb 0.47 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2cwa h ALA 185 CO 0.02 0.30 0.03 0.00 0.00 0.00 0.00 179.25 179.60 2cwa h ALA 186 N 1.76 1.49 0.00 0.00 0.00 -1.18 -0.41 119.26 120.92 2cwa h ALA 186 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2cwa h ALA 186 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2cwa h ALA 186 CO 0.03 -0.04 -0.07 0.39 0.00 0.00 0.00 179.25 179.57 2cwa n GLU 187 N -3.74 0.10 -1.16 0.00 1.02 -1.18 -4.82 120.64 110.86 2cwa n GLU 187 Ca -0.03 0.08 -0.30 0.00 -0.02 0.00 0.00 57.16 56.89 2cwa n GLU 187 Cb 0.11 -1.61 0.13 0.00 -0.02 0.00 0.00 31.44 30.05 2cwa n GLU 187 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2cwa s LEU 188 N -3.57 2.46 0.04 -4.62 1.43 -0.16 -5.06 118.68 109.19 2cwa s LEU 188 Ca 0.12 1.63 -0.03 0.00 -1.03 0.00 0.00 54.13 54.82 2cwa s LEU 188 Cb 0.16 -4.10 -0.02 0.00 0.03 0.00 0.00 46.19 42.26 2cwa s LEU 188 CO 0.57 -2.56 0.03 -0.13 0.23 0.00 0.00 176.35 174.49 2cwa s ARG 189 N -4.89 0.57 0.12 1.70 1.81 -1.26 -4.32 118.95 112.68 2cwa s ARG 189 Ca 0.63 -0.92 -0.35 0.00 -1.72 0.00 0.00 55.73 53.37 2cwa s ARG 189 Cb -0.18 0.21 -0.16 0.00 -0.45 0.00 0.00 34.95 34.36 2cwa s ARG 189 CO 0.57 -0.12 1.24 1.17 -0.68 0.00 0.00 175.30 177.47 2cwa n LYS 190 N 0.60 1.10 0.00 3.54 4.81 -1.25 -1.25 118.16 125.72 2cwa n LYS 190 Ca -0.18 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 2cwa n LYS 190 Cb 0.59 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.68 2cwa n LYS 190 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2cwa n GLY 191 N 2.25 3.17 3.74 3.14 0.00 -0.06 -4.95 105.19 112.47 2cwa n GLY 191 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 2cwa n GLY 191 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cwa n ASP 192 N 0.00 2.31 -4.84 1.61 8.00 -0.38 -4.49 116.55 118.76 2cwa n ASP 192 Ca 0.00 0.88 -0.32 0.00 0.71 0.00 0.00 54.79 56.06 2cwa n ASP 192 Cb 0.00 -1.57 -0.03 0.00 -0.02 0.00 0.00 41.12 39.51 2cwa n ASP 192 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2cwa s GLY 193 N -1.23 2.07 -0.12 0.44 0.00 -1.26 -0.91 107.32 106.31 2cwa s GLY 193 Ca 0.79 0.21 -0.06 0.00 0.00 0.00 0.00 44.72 45.67 2cwa s GLY 193 CO 0.43 0.50 0.28 -2.27 0.00 0.00 0.00 173.10 172.04 2cwa s LEU 194 N -4.17 0.18 -0.15 0.66 2.96 0.59 -4.16 118.68 114.59 2cwa s LEU 194 Ca 0.60 0.62 -0.03 0.00 -0.22 0.00 0.00 54.13 55.09 2cwa s LEU 194 Cb -0.11 0.86 -0.03 0.00 0.50 0.00 0.00 46.19 47.42 2cwa s LEU 194 CO 0.33 -0.18 -0.05 0.12 -1.32 0.00 0.00 176.35 175.25 2cwa s PHE 195 N 1.50 3.00 -0.01 5.38 5.36 -0.02 -1.55 117.98 131.63 2cwa s PHE 195 Ca -0.08 -0.31 0.03 0.00 -0.96 0.00 0.00 56.93 55.61 2cwa s PHE 195 Cb -0.10 -1.93 -0.00 0.00 -0.34 0.00 0.00 43.02 40.64 2cwa s PHE 195 CO -0.09 -0.03 -0.09 0.08 -1.46 0.00 0.00 175.22 173.62 2cwa s VAL 196 N 0.29 0.77 -0.17 3.12 1.01 0.21 -1.40 120.40 124.23 2cwa s VAL 196 Ca -0.04 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2cwa s VAL 196 Cb -0.14 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.60 2cwa s VAL 196 CO 0.03 0.23 -0.17 -0.63 0.00 0.00 0.00 175.10 174.56 2cwa s ILE 197 N -0.06 1.87 0.00 2.22 1.01 -0.75 -0.43 121.20 125.06 2cwa s ILE 197 Ca 0.01 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.82 2cwa s ILE 197 Cb -0.06 -1.72 0.00 0.00 0.01 0.00 0.00 42.46 40.69 2cwa s ILE 197 CO -0.00 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.04 2cwa n GLY 198 N 4.67 3.57 3.25 6.18 0.00 -0.02 0.15 105.19 123.01 2cwa n GLY 198 Ca -0.19 -1.28 -0.27 0.00 0.00 0.00 0.00 46.02 44.28 2cwa n GLY 198 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2cwa s ARG 199 N -0.81 1.58 0.11 1.61 1.70 0.20 -0.63 118.95 122.72 2cwa s ARG 199 Ca 0.00 -0.87 -0.30 0.00 -0.47 0.00 0.00 55.73 54.09 2cwa s ARG 199 Cb 0.00 -1.62 -0.06 0.00 -0.57 0.00 0.00 34.95 32.70 2cwa s ARG 199 CO 0.00 0.43 1.01 -0.51 -1.08 0.00 0.00 175.30 175.15 2cwa s LEU 200 N -0.86 4.47 0.16 -1.89 1.43 -1.26 -0.78 118.68 119.95 2cwa s LEU 200 Ca 0.08 1.85 0.02 0.00 -1.03 0.00 0.00 54.13 55.05 2cwa s LEU 200 Cb -0.09 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.50 2cwa s LEU 200 CO 0.01 -0.15 -0.01 0.68 0.23 0.00 0.00 176.35 177.10 2cwa s VAL 201 N 0.16 0.72 0.03 -1.59 -7.23 -0.30 -4.92 120.40 107.27 2cwa s VAL 201 Ca 0.49 -1.98 -0.06 0.00 -1.81 0.00 0.00 61.98 58.61 2cwa s VAL 201 Cb -0.25 -2.05 -0.01 0.00 0.56 0.00 0.00 36.38 34.64 2cwa s VAL 201 CO 0.31 -0.54 0.12 0.54 -0.31 0.00 0.00 175.10 175.21 2cwa s ASN 202 N -3.16 0.13 0.05 4.85 2.20 -1.26 -0.40 114.94 117.35 2cwa s ASN 202 Ca 0.22 -0.46 0.06 0.00 -0.94 0.00 0.00 52.86 51.74 2cwa s ASN 202 Cb 0.06 0.23 -0.03 0.00 -2.00 0.00 0.00 41.25 39.50 2cwa s ASN 202 CO 0.03 -0.49 -0.14 -1.81 -2.94 0.00 0.00 177.10 171.74 2cwa s ASP 203 N -2.00 4.11 -0.09 3.54 1.01 -0.18 -4.96 116.67 118.10 2cwa s ASP 203 Ca -0.07 -0.36 -0.06 0.00 0.71 0.00 0.00 52.55 52.77 2cwa s ASP 203 Cb -0.02 -0.76 0.03 0.00 1.01 0.00 0.00 42.92 43.18 2cwa s ASP 203 CO -0.03 0.24 0.23 -0.94 0.21 0.00 0.00 175.17 174.88 2cwa s SER 204 N -1.60 -0.24 0.36 0.27 1.04 -1.26 -1.07 113.70 111.21 2cwa s SER 204 Ca 0.17 0.47 -0.16 0.00 0.48 0.00 0.00 55.95 56.91 2cwa s SER 204 Cb -0.11 0.42 0.06 0.00 0.10 0.00 0.00 66.02 66.49 2cwa s SER 204 CO 0.07 -0.12 0.83 -1.66 0.98 0.00 0.00 173.24 173.35 2cwa s TRP 205 N 0.70 0.14 -0.18 5.02 -2.14 -0.60 -5.00 118.94 116.88 2cwa s TRP 205 Ca -0.05 -0.79 -0.00 0.00 2.66 0.00 0.00 56.10 57.91 2cwa s TRP 205 Cb -0.06 0.83 0.00 0.00 -3.10 0.00 0.00 33.47 31.14 2cwa s TRP 205 CO -0.04 -1.50 -0.14 0.99 -2.66 0.00 0.00 176.95 173.59 2cwa s THR 206 N -2.15 2.63 1.28 0.66 2.01 -1.26 0.10 115.64 118.91 2cwa s THR 206 Ca 0.17 -0.76 -0.17 0.00 0.31 0.00 0.00 61.69 61.24 2cwa s THR 206 Cb -0.05 -2.13 0.32 0.00 0.01 0.00 0.00 72.50 70.65 2cwa s THR 206 CO 0.11 0.50 0.90 -0.24 -0.69 0.00 0.00 174.62 175.20 2cwa n SER 207 N 4.42 -2.62 -0.33 3.53 2.88 0.39 -4.83 113.62 117.06 2cwa n SER 207 Ca -0.19 -0.40 0.11 0.00 -1.33 0.00 0.00 58.87 57.05 2cwa n SER 207 Cb 0.51 -1.15 0.23 0.00 -0.75 0.00 0.00 64.21 63.04 2cwa n SER 207 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2cwa h SER 208 N -2.99 -0.58 0.00 -3.46 0.02 -2.00 -3.38 113.55 101.15 2cwa h SER 208 Ca -0.56 0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2cwa h SER 208 Cb 1.33 0.50 0.00 0.00 0.14 0.00 0.00 62.40 64.37 2cwa h SER 208 CO 0.42 -0.32 0.00 -1.54 -1.14 0.00 0.00 176.83 174.25 2cwa n SER 209 N -5.50 0.00 -0.57 3.07 3.41 -1.26 -4.93 113.62 107.84 2cwa n SER 209 Ca 0.20 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.92 2cwa n SER 209 Cb 0.64 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.61 2cwa n SER 209 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cwa n GLY 210 N 4.90 0.18 3.42 5.00 0.00 -1.26 -4.95 105.19 112.48 2cwa n GLY 210 Ca 0.00 -0.65 -0.48 0.00 0.00 0.00 0.00 46.02 44.90 2cwa n GLY 210 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2cwa n GLU 211 N 0.19 0.34 -2.63 1.61 4.07 -1.26 -4.68 120.64 118.28 2cwa n GLU 211 Ca 0.10 0.06 -0.43 0.00 -0.06 0.00 0.00 57.16 56.83 2cwa n GLU 211 Cb 0.49 -1.93 -0.02 0.00 -0.06 0.00 0.00 31.44 29.92 2cwa n GLU 211 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2cwa s ARG 212 N 7.52 4.14 0.14 5.31 0.52 -1.26 0.15 118.95 135.46 2cwa s ARG 212 Ca 1.22 1.22 0.05 0.00 -0.52 0.00 0.00 55.73 57.69 2cwa s ARG 212 Cb -1.11 -3.71 -0.04 0.00 0.52 0.00 0.00 34.95 30.61 2cwa s ARG 212 CO 0.51 -0.80 0.08 1.03 0.02 0.00 0.00 175.30 176.14 2cwa s ARG 213 N 3.50 2.77 -0.23 3.54 1.81 0.28 -4.94 118.95 125.69 2cwa s ARG 213 Ca 0.46 -0.86 -0.23 0.00 -1.72 0.00 0.00 55.73 53.38 2cwa s ARG 213 Cb -0.14 -2.61 0.06 0.00 -0.45 0.00 0.00 34.95 31.82 2cwa s ARG 213 CO 0.12 0.51 0.64 0.12 -0.68 0.00 0.00 175.30 176.01 2cwa s PHE 214 N -1.60 -0.69 -0.01 -0.53 5.36 -1.26 -1.55 117.98 117.69 2cwa s PHE 214 Ca 0.29 1.66 -0.14 0.00 -0.96 0.00 0.00 56.93 57.78 2cwa s PHE 214 Cb -0.11 0.25 0.02 0.00 -0.34 0.00 0.00 43.02 42.84 2cwa s PHE 214 CO 0.22 -0.35 0.30 1.14 -1.46 0.00 0.00 175.22 175.06 2cwa s GLN 215 N 0.22 0.66 -0.06 10.12 -2.07 -0.23 -4.98 119.66 123.32 2cwa s GLN 215 Ca -0.01 -0.21 0.03 0.00 -1.82 0.00 0.00 55.36 53.35 2cwa s GLN 215 Cb -0.04 0.29 -0.03 0.00 -1.09 0.00 0.00 33.01 32.14 2cwa s GLN 215 CO 0.01 -0.18 -0.12 0.99 -1.32 0.00 0.00 175.29 174.67 2cwa s THR 216 N -1.34 3.22 0.19 3.63 2.01 -1.26 -1.01 115.64 121.09 2cwa s THR 216 Ca -0.14 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.23 2cwa s THR 216 Cb -0.05 -2.28 -0.01 0.00 0.01 0.00 0.00 72.50 70.17 2cwa s THR 216 CO 0.04 0.59 0.20 0.54 -0.69 0.00 0.00 174.62 175.30 2cwa n ARG 217 N 2.38 0.29 -4.63 4.92 1.74 0.46 -4.76 116.66 117.07 2cwa n ARG 217 Ca -0.17 -1.71 -0.23 0.00 -0.77 0.00 0.00 57.85 54.97 2cwa n ARG 217 Cb 0.52 1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 33.30 2cwa n ARG 217 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2cwa s VAL 218 N -2.70 1.13 -0.27 1.55 1.01 -0.79 -1.15 120.40 119.18 2cwa s VAL 218 Ca 0.19 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 2cwa s VAL 218 Cb 0.00 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 2cwa s VAL 218 CO 0.14 0.33 0.08 -0.70 0.00 0.00 0.00 175.10 174.95 2cwa s GLU 219 N 0.05 3.47 0.40 2.72 2.12 0.04 -1.11 118.70 126.39 2cwa s GLU 219 Ca -0.02 -0.61 -0.26 0.00 0.36 0.00 0.00 54.97 54.45 2cwa s GLU 219 Cb -0.09 -3.35 -0.09 0.00 0.26 0.00 0.00 34.13 30.86 2cwa s GLU 219 CO 0.01 -0.28 1.21 0.00 -0.54 0.00 0.00 175.26 175.66 2cwa s ALA 220 N 1.58 3.20 -0.04 6.30 0.00 -0.19 -0.62 121.76 131.99 2cwa s ALA 220 Ca 0.05 1.06 0.03 0.00 0.00 0.00 0.00 51.96 53.10 2cwa s ALA 220 Cb -0.16 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 2cwa s ALA 220 CO 0.03 -0.62 0.01 1.28 0.00 0.00 0.00 175.76 176.46 2cwa n LEU 221 N 0.14 0.38 -3.80 0.00 4.77 0.12 -4.76 117.00 113.84 2cwa n LEU 221 Ca 0.04 -0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.89 2cwa n LEU 221 Cb 0.45 0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.49 2cwa n LEU 221 CO 0.53 0.15 -0.12 -0.60 -1.33 0.00 0.00 177.39 176.02 2cwa s ARG 222 N -2.09 0.31 0.01 3.23 3.52 -0.66 -5.00 118.95 118.27 2cwa s ARG 222 Ca -0.02 0.21 0.03 0.00 -0.13 0.00 0.00 55.73 55.81 2cwa s ARG 222 Cb 0.01 0.14 -0.01 0.00 -1.56 0.00 0.00 34.95 33.53 2cwa s ARG 222 CO 0.15 -0.05 -0.08 -0.51 -0.81 0.00 0.00 175.30 174.00 2cwa s LEU 223 N -0.12 2.08 0.06 -0.88 1.43 -1.26 -1.81 118.68 118.17 2cwa s LEU 223 Ca -0.02 -0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 52.78 2cwa s LEU 223 Cb -0.02 -0.35 -0.02 0.00 0.03 0.00 0.00 46.19 45.82 2cwa s LEU 223 CO 0.01 0.02 0.07 -1.61 0.23 0.00 0.00 176.35 175.07 2cwa s GLU 224 N -0.58 0.66 -0.40 1.70 0.41 -0.50 -4.99 118.70 115.01 2cwa s GLU 224 Ca -0.00 -0.99 -0.01 0.00 -0.41 0.00 0.00 54.97 53.56 2cwa s GLU 224 Cb -0.05 0.25 0.11 0.00 -1.78 0.00 0.00 34.13 32.66 2cwa s GLU 224 CO 0.00 -0.16 0.17 0.50 -0.49 0.00 0.00 175.26 175.28 2cwa s ARG 225 N -3.45 1.89 0.32 1.61 3.52 -1.26 -0.84 118.95 120.72 2cwa s ARG 225 Ca 0.02 -1.86 -0.29 0.00 -0.13 0.00 0.00 55.73 53.47 2cwa s ARG 225 Cb 0.04 -3.49 -0.10 0.00 -1.56 0.00 0.00 34.95 29.83 2cwa s ARG 225 CO -0.08 -1.04 1.25 -1.25 -0.81 0.00 0.00 175.30 173.36 2cwa s PRO 226 N 1.04 4.43 -0.34 5.12 0.04 -1.26 -4.93 135.00 139.10 2cwa s PRO 226 Ca 0.09 2.11 0.06 0.00 0.04 0.00 0.00 61.00 63.30 2cwa s PRO 226 Cb -0.22 -3.10 0.46 0.00 0.04 0.00 0.00 34.50 31.68 2cwa s PRO 226 CO -0.05 -0.08 1.35 0.25 0.04 0.00 0.00 177.00 178.50 2cwa n THR 227 N 0.94 2.65 0.00 1.26 -2.24 -1.26 -4.23 114.28 111.40 2cwa n THR 227 Ca -0.00 -3.74 0.00 0.00 -2.27 0.00 0.00 64.05 58.04 2cwa n THR 227 Cb 0.43 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 2cwa n THR 227 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36