#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhw s ILE 2 N 0.00 4.96 -0.15 2.02 2.07 -1.25 -0.52 121.20 128.33 3dhw s ILE 2 Ca 0.00 0.33 0.02 0.00 -1.41 0.00 0.00 60.65 59.58 3dhw s ILE 2 Cb 0.00 -4.03 0.02 0.00 0.13 0.00 0.00 42.46 38.57 3dhw s ILE 2 CO 0.00 -0.31 -0.20 -0.75 -1.91 0.00 0.00 174.94 171.77 3dhw s LYS 3 N 2.52 2.88 -0.17 3.50 2.20 0.27 -2.07 119.74 128.88 3dhw s LYS 3 Ca 0.20 -0.80 -0.03 0.00 -0.36 0.00 0.00 55.97 54.99 3dhw s LYS 3 Cb -0.15 -2.41 -0.02 0.00 -1.51 0.00 0.00 37.83 33.74 3dhw s LYS 3 CO 0.15 -0.11 -0.05 -0.51 -0.36 0.00 0.00 175.35 174.46 3dhw s LEU 4 N 1.07 3.06 -0.44 5.43 1.43 -0.94 0.17 118.68 128.46 3dhw s LEU 4 Ca -0.01 -0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 52.75 3dhw s LEU 4 Cb -0.14 -1.74 0.09 0.00 0.03 0.00 0.00 46.19 44.42 3dhw s LEU 4 CO -0.07 0.12 0.30 -0.55 0.23 0.00 0.00 176.35 176.38 3dhw s SER 5 N 0.67 5.73 -1.41 2.29 0.15 0.20 -2.60 113.70 118.73 3dhw s SER 5 Ca -0.03 -1.56 -0.02 0.00 0.70 0.00 0.00 55.95 55.03 3dhw s SER 5 Cb -0.15 -2.02 0.02 0.00 -1.71 0.00 0.00 66.02 62.16 3dhw s SER 5 CO 0.02 -0.59 0.56 0.59 1.20 0.00 0.00 173.24 175.02 3dhw n ASN 6 N 4.96 -1.05 -4.67 5.45 3.02 -1.17 -2.27 115.26 119.52 3dhw n ASN 6 Ca -0.10 -0.94 -0.42 0.00 -0.03 0.00 0.00 54.58 53.09 3dhw n ASN 6 Cb 0.43 -3.36 -0.03 0.00 -0.61 0.00 0.00 39.78 36.20 3dhw n ASN 6 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3dhw s ILE 7 N -3.79 3.55 -0.06 2.41 -1.09 0.13 -3.79 121.20 118.56 3dhw s ILE 7 Ca 0.10 0.82 -0.02 0.00 -2.23 0.00 0.00 60.65 59.32 3dhw s ILE 7 Cb -0.05 -3.53 0.03 0.00 -1.58 0.00 0.00 42.46 37.33 3dhw s ILE 7 CO 0.87 -0.04 0.03 -0.89 -1.23 0.00 0.00 174.94 173.68 3dhw s THR 8 N 3.27 0.12 -0.08 2.92 2.01 0.34 -2.64 115.64 121.58 3dhw s THR 8 Ca 0.70 0.26 0.05 0.00 0.31 0.00 0.00 61.69 63.01 3dhw s THR 8 Cb -0.33 -0.35 -0.00 0.00 0.01 0.00 0.00 72.50 71.82 3dhw s THR 8 CO 0.28 0.20 -0.24 -0.75 -0.69 0.00 0.00 174.62 173.42 3dhw s LYS 9 N 2.07 2.76 -0.19 4.92 2.20 -1.21 -2.69 119.74 127.61 3dhw s LYS 9 Ca 0.05 -0.88 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 3dhw s LYS 9 Cb -0.12 -2.20 0.01 0.00 -1.51 0.00 0.00 37.83 34.01 3dhw s LYS 9 CO -0.04 0.28 -0.17 0.54 -0.36 0.00 0.00 175.35 175.59 3dhw s VAL 10 N 0.10 2.31 -0.02 4.02 0.11 -1.26 -2.48 120.40 123.17 3dhw s VAL 10 Ca -0.11 -0.86 0.06 0.00 -2.93 0.00 0.00 61.98 58.15 3dhw s VAL 10 Cb -0.16 -1.99 -0.01 0.00 -1.53 0.00 0.00 36.38 32.69 3dhw s VAL 10 CO 0.06 0.52 -0.21 0.12 -3.33 0.00 0.00 175.10 172.26 3dhw s PHE 11 N 1.32 1.96 -0.21 1.54 5.36 -1.25 -4.91 117.98 121.79 3dhw s PHE 11 Ca 0.05 -0.41 -0.06 0.00 -0.96 0.00 0.00 56.93 55.55 3dhw s PHE 11 Cb -0.13 -1.27 -0.02 0.00 -0.34 0.00 0.00 43.02 41.25 3dhw s PHE 11 CO -0.11 -0.06 0.01 -1.01 -1.46 0.00 0.00 175.22 172.59 3dhw s HIS 12 N -0.42 3.05 0.25 10.12 3.76 -1.26 -3.63 115.29 127.16 3dhw s HIS 12 Ca 0.06 -0.49 -0.06 0.00 -0.15 0.00 0.00 55.06 54.42 3dhw s HIS 12 Cb -0.09 -2.13 0.26 0.00 1.11 0.00 0.00 32.58 31.73 3dhw s HIS 12 CO -0.00 -0.29 1.93 1.96 -0.85 0.00 0.00 174.74 177.48 3dhw h GLN 13 N 7.73 1.32 0.00 1.40 1.08 -1.95 -3.47 115.11 121.23 3dhw h GLN 13 Ca -0.37 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 3dhw h GLN 13 Cb 1.17 -0.30 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 3dhw h GLN 13 CO 0.60 0.88 0.00 0.41 -0.95 0.00 0.00 178.83 179.77 3dhw n GLY 14 N -1.37 -1.73 0.54 3.46 0.00 -1.26 -4.90 105.19 99.92 3dhw n GLY 14 Ca 0.12 0.60 0.06 0.00 0.00 0.00 0.00 46.02 46.80 3dhw n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dhw n THR 15 N 0.00 0.27 -4.34 2.61 -2.24 -1.26 -5.02 114.28 104.29 3dhw n THR 15 Ca 0.00 -0.63 -0.35 0.00 -2.27 0.00 0.00 64.05 60.80 3dhw n THR 15 Cb 0.00 1.05 -0.09 0.00 -2.10 0.00 0.00 70.33 69.19 3dhw n THR 15 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3dhw s ARG 16 N -1.00 3.02 -0.11 -0.78 1.81 -1.26 -5.11 118.95 115.52 3dhw s ARG 16 Ca 0.17 -0.39 0.04 0.00 -1.72 0.00 0.00 55.73 53.83 3dhw s ARG 16 Cb 0.11 -2.82 0.00 0.00 -0.45 0.00 0.00 34.95 31.79 3dhw s ARG 16 CO 0.16 0.71 -0.23 0.99 -0.68 0.00 0.00 175.30 176.24 3dhw s THR 17 N -0.88 2.07 -0.01 0.02 2.01 -1.26 -2.83 115.64 114.76 3dhw s THR 17 Ca 0.13 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.15 3dhw s THR 17 Cb -0.11 -1.80 -0.01 0.00 0.01 0.00 0.00 72.50 70.59 3dhw s THR 17 CO 0.02 0.56 -0.08 -0.51 -0.69 0.00 0.00 174.62 173.93 3dhw s ILE 18 N 0.48 0.60 -0.63 1.82 -1.16 -1.24 -5.06 121.20 116.01 3dhw s ILE 18 Ca -0.15 -0.32 -0.21 0.00 -0.51 0.00 0.00 60.65 59.45 3dhw s ILE 18 Cb -0.17 -0.51 0.08 0.00 0.61 0.00 0.00 42.46 42.47 3dhw s ILE 18 CO 0.06 0.17 0.87 -1.10 -2.81 0.00 0.00 174.94 172.13 3dhw s GLN 19 N -0.15 3.10 -0.04 3.50 -1.52 -1.26 -3.74 119.66 119.55 3dhw s GLN 19 Ca 0.03 -0.94 -0.14 0.00 -1.95 0.00 0.00 55.36 52.35 3dhw s GLN 19 Cb -0.03 -4.22 -0.08 0.00 -0.22 0.00 0.00 33.01 28.46 3dhw s GLN 19 CO -0.00 -1.69 0.60 0.00 -0.25 0.00 0.00 175.29 173.94 3dhw h ALA 20 N 9.42 -0.52 -4.21 6.09 0.00 -1.85 -3.46 119.26 124.74 3dhw h ALA 20 Ca -0.29 -0.11 -0.63 0.00 0.00 0.00 0.00 54.91 53.88 3dhw h ALA 20 Cb 1.08 0.20 -0.31 0.00 0.00 0.00 0.00 17.79 18.76 3dhw h ALA 20 CO 1.14 -0.48 -0.86 -0.51 0.00 0.00 0.00 179.25 178.54 3dhw s LEU 21 N -9.10 2.02 -0.16 0.00 1.43 -1.24 -3.34 118.68 108.29 3dhw s LEU 21 Ca -0.08 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 3dhw s LEU 21 Cb 0.01 -1.15 0.02 0.00 0.03 0.00 0.00 46.19 45.10 3dhw s LEU 21 CO 0.23 0.23 -0.17 0.20 0.23 0.00 0.00 176.35 177.08 3dhw s ASN 22 N -0.28 2.92 -1.44 2.29 0.02 -0.75 -3.30 114.94 114.40 3dhw s ASN 22 Ca 0.02 -0.58 -0.00 0.00 -1.02 0.00 0.00 52.86 51.28 3dhw s ASN 22 Cb -0.11 -1.32 0.00 0.00 0.02 0.00 0.00 41.25 39.85 3dhw s ASN 22 CO 0.01 -0.04 0.31 0.59 0.02 0.00 0.00 177.10 178.00 3dhw n ASN 23 N 4.70 0.03 -4.40 -1.22 3.02 -1.25 -4.59 115.26 111.54 3dhw n ASN 23 Ca -0.19 -1.07 -0.34 0.00 -0.03 0.00 0.00 54.58 52.95 3dhw n ASN 23 Cb 0.50 -2.69 -0.13 0.00 -0.61 0.00 0.00 39.78 36.84 3dhw n ASN 23 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3dhw s VAL 24 N -4.07 3.45 -0.01 2.41 -7.23 -1.08 -4.86 120.40 109.01 3dhw s VAL 24 Ca 0.00 -0.51 0.04 0.00 -1.81 0.00 0.00 61.98 59.71 3dhw s VAL 24 Cb -0.00 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.43 3dhw s VAL 24 CO 0.92 0.49 -0.13 -0.44 -0.31 0.00 0.00 175.10 175.62 3dhw s SER 25 N 0.62 1.54 -0.02 4.85 0.01 -1.26 0.19 113.70 119.63 3dhw s SER 25 Ca -0.04 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 56.97 3dhw s SER 25 Cb -0.15 -0.17 0.03 0.00 0.21 0.00 0.00 66.02 65.94 3dhw s SER 25 CO 0.03 0.15 0.02 -0.22 0.41 0.00 0.00 173.24 173.63 3dhw s LEU 26 N -0.35 1.16 -0.25 2.44 2.96 -1.07 -4.96 118.68 118.61 3dhw s LEU 26 Ca 0.05 0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 53.94 3dhw s LEU 26 Cb -0.05 -0.12 0.01 0.00 0.50 0.00 0.00 46.19 46.53 3dhw s LEU 26 CO -0.00 -0.11 -0.02 -2.28 -1.32 0.00 0.00 176.35 172.62 3dhw s HIS 27 N 0.99 3.05 -0.30 5.38 5.65 -1.26 -2.22 115.29 126.58 3dhw s HIS 27 Ca -0.09 -1.19 -0.02 0.00 0.25 0.00 0.00 55.06 54.01 3dhw s HIS 27 Cb -0.12 -2.12 0.05 0.00 -1.18 0.00 0.00 32.58 29.20 3dhw s HIS 27 CO -0.02 -0.63 0.01 0.08 -0.65 0.00 0.00 174.74 173.53 3dhw s VAL 28 N 1.42 3.08 0.70 0.89 1.01 -0.88 -5.06 120.40 121.55 3dhw s VAL 28 Ca 0.03 -1.31 -0.16 0.00 0.00 0.00 0.00 61.98 60.53 3dhw s VAL 28 Cb -0.16 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.50 3dhw s VAL 28 CO -0.02 -0.08 1.26 -2.16 0.00 0.00 0.00 175.10 174.09 3dhw s PRO 29 N 1.28 2.29 0.38 2.72 0.04 -1.26 -3.88 135.00 136.56 3dhw s PRO 29 Ca -0.04 1.94 -0.28 0.00 0.04 0.00 0.00 61.00 62.66 3dhw s PRO 29 Cb -0.19 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 32.41 3dhw s PRO 29 CO -0.01 -1.77 1.50 0.00 0.04 0.00 0.00 177.00 176.76 3dhw n ALA 30 N -2.34 2.41 -0.97 8.56 0.00 -1.26 -2.70 120.51 124.22 3dhw n ALA 30 Ca 0.15 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3dhw n ALA 30 Cb 0.49 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.51 3dhw n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dhw n GLY 31 N 0.44 0.51 3.40 0.00 0.00 -1.26 -5.03 105.19 103.27 3dhw n GLY 31 Ca 0.01 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3dhw n GLY 31 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dhw s GLN 32 N -0.06 1.63 -0.25 1.61 -0.21 -1.10 -4.92 119.66 116.37 3dhw s GLN 32 Ca 0.00 -1.23 -0.11 0.00 0.02 0.00 0.00 55.36 54.05 3dhw s GLN 32 Cb 0.00 -1.98 -0.05 0.00 1.00 0.00 0.00 33.01 31.98 3dhw s GLN 32 CO 0.00 0.48 0.17 0.42 -2.12 0.00 0.00 175.29 174.24 3dhw s ILE 33 N -1.00 5.35 -0.09 1.08 1.01 -1.26 -3.44 121.20 122.84 3dhw s ILE 33 Ca 0.14 0.19 0.01 0.00 0.00 0.00 0.00 60.65 61.00 3dhw s ILE 33 Cb -0.10 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 3dhw s ILE 33 CO 0.06 0.33 -0.12 -0.47 0.00 0.00 0.00 174.94 174.73 3dhw s TYR 34 N 1.18 2.80 0.19 3.97 6.14 -0.74 -1.81 117.35 129.08 3dhw s TYR 34 Ca 0.08 -0.34 0.07 0.00 0.64 0.00 0.00 57.07 57.51 3dhw s TYR 34 Cb -0.14 -1.75 -0.04 0.00 0.42 0.00 0.00 41.96 40.45 3dhw s TYR 34 CO 0.06 0.03 0.05 0.20 0.64 0.00 0.00 175.55 176.52 3dhw s GLY 35 N -0.22 1.69 -0.00 8.97 0.00 0.82 -0.39 107.32 118.18 3dhw s GLY 35 Ca 0.01 -1.38 0.02 0.00 0.00 0.00 0.00 44.72 43.37 3dhw s GLY 35 CO 0.03 -1.40 -0.06 0.14 0.00 0.00 0.00 173.10 171.81 3dhw s VAL 36 N -1.84 0.48 -0.05 1.40 1.01 -1.03 0.30 120.40 120.66 3dhw s VAL 36 Ca 0.29 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.04 3dhw s VAL 36 Cb -0.09 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 35.89 3dhw s VAL 36 CO 0.20 0.14 -0.13 -0.51 0.00 0.00 0.00 175.10 174.80 3dhw s ILE 37 N -0.14 1.13 -0.16 2.22 2.07 -0.68 -2.29 121.20 123.35 3dhw s ILE 37 Ca 0.02 -0.50 -0.05 0.00 -1.41 0.00 0.00 60.65 58.72 3dhw s ILE 37 Cb -0.02 -1.02 0.08 0.00 0.13 0.00 0.00 42.46 41.63 3dhw s ILE 37 CO -0.00 0.35 0.27 -0.83 -1.91 0.00 0.00 174.94 172.82 3dhw s GLY 38 N 0.47 -0.13 0.25 1.50 0.00 -1.23 -0.22 107.32 107.95 3dhw s GLY 38 Ca -0.11 0.83 -0.06 0.00 0.00 0.00 0.00 44.72 45.38 3dhw s GLY 38 CO 0.03 2.09 1.93 0.00 0.00 0.00 0.00 173.10 177.15 3dhw h ALA 39 N 8.28 1.27 -1.68 3.20 0.00 -1.83 -3.40 119.26 125.10 3dhw h ALA 39 Ca -0.15 -0.07 -0.37 0.00 0.00 0.00 0.00 54.91 54.32 3dhw h ALA 39 Cb 1.12 -0.41 -0.27 0.00 0.00 0.00 0.00 17.79 18.24 3dhw h ALA 39 CO 0.17 0.66 -0.74 0.43 0.00 0.00 0.00 179.25 179.78 3dhw n SER 40 N -4.38 -1.97 -1.35 0.00 7.64 -1.26 -4.93 113.62 107.36 3dhw n SER 40 Ca 0.12 -2.64 -0.15 0.00 1.01 0.00 0.00 58.87 57.21 3dhw n SER 40 Cb 0.01 0.60 -0.04 0.00 -1.01 0.00 0.00 64.21 63.77 3dhw n SER 40 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dhw n GLY 41 N 2.88 0.74 0.96 0.23 0.00 -1.26 -4.81 105.19 103.93 3dhw n GLY 41 Ca 0.24 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3dhw n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dhw n ALA 42 N -0.03 1.46 0.00 4.61 0.00 -1.26 -4.42 120.51 120.87 3dhw n ALA 42 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3dhw n ALA 42 Cb 0.54 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.00 3dhw n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dhw n GLY 43 N 0.96 1.54 0.27 0.00 0.00 -1.26 -2.63 105.19 104.07 3dhw n GLY 43 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 3dhw n GLY 43 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3dhw h LYS 44 N 2.98 0.00 -0.94 1.61 2.10 -1.94 -1.51 116.57 118.87 3dhw h LYS 44 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 3dhw h LYS 44 Cb 0.00 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.28 3dhw h LYS 44 CO 0.00 0.00 0.56 0.77 -2.00 0.00 0.00 179.45 178.78 3dhw h SER 45 N 0.00 1.13 -0.02 7.07 0.02 -1.86 -3.30 113.55 116.59 3dhw h SER 45 Ca 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3dhw h SER 45 Cb 0.48 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3dhw h SER 45 CO 0.00 0.87 0.00 0.35 -1.14 0.00 0.00 176.83 176.91 3dhw n THR 46 N -4.36 0.51 -0.35 -2.27 -2.24 -0.82 -4.71 114.28 100.04 3dhw n THR 46 Ca 0.10 -0.75 -0.03 0.00 -2.27 0.00 0.00 64.05 61.10 3dhw n THR 46 Cb 0.06 0.76 0.10 0.00 -2.10 0.00 0.00 70.33 69.14 3dhw n THR 46 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3dhw h LEU 47 N 0.18 1.11 -1.26 3.22 5.85 -1.38 -2.60 115.31 120.43 3dhw h LEU 47 Ca 0.00 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 3dhw h LEU 47 Cb 0.28 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3dhw h LEU 47 CO 0.00 0.84 -0.24 0.16 -0.34 0.00 0.00 178.44 178.85 3dhw h ILE 48 N 1.29 0.66 -0.99 4.05 -0.00 -1.84 -2.93 117.51 117.75 3dhw h ILE 48 Ca 0.34 -1.09 0.01 0.00 -0.00 0.00 0.00 64.86 64.12 3dhw h ILE 48 Cb -0.09 1.70 -0.05 0.00 -0.00 0.00 0.00 36.82 38.39 3dhw h ILE 48 CO -0.07 0.24 0.66 0.03 -0.00 0.00 0.00 178.15 179.01 3dhw h ARG 49 N 0.00 1.30 -0.29 0.16 3.08 -1.78 -2.92 114.38 113.94 3dhw h ARG 49 Ca -0.00 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 59.98 3dhw h ARG 49 Cb 0.69 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3dhw h ARG 49 CO 0.03 0.86 0.19 0.00 -1.07 0.00 0.00 179.97 179.99 3dhw h VAL 51 N 0.36 1.03 -0.59 0.00 2.07 -1.63 -2.76 116.25 114.73 3dhw h VAL 51 Ca 0.11 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3dhw h VAL 51 Cb 0.00 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3dhw h VAL 51 CO -0.02 0.03 0.00 -0.46 0.02 0.00 0.00 177.57 177.13 3dhw n ASN 52 N -5.01 4.49 -3.90 0.57 2.04 -1.17 -4.86 115.26 107.41 3dhw n ASN 52 Ca -0.05 -2.44 -0.29 0.00 -0.44 0.00 0.00 54.58 51.36 3dhw n ASN 52 Cb 0.03 -0.54 0.03 0.00 -2.53 0.00 0.00 39.78 36.77 3dhw n ASN 52 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 3dhw n LEU 53 N 0.94 -2.60 -0.36 -4.53 7.94 -0.37 -4.92 117.00 113.10 3dhw n LEU 53 Ca 0.24 -0.79 -0.03 0.00 -1.11 0.00 0.00 56.01 54.32 3dhw n LEU 53 Cb 0.84 -2.56 0.10 0.00 0.53 0.00 0.00 43.42 42.33 3dhw n LEU 53 CO 0.21 0.46 1.26 -0.07 -1.11 0.00 0.00 177.39 178.14 3dhw h LEU 54 N -2.06 1.14 -8.64 -1.96 3.38 -1.46 -3.42 115.31 102.30 3dhw h LEU 54 Ca -0.58 -0.05 -0.70 0.00 0.09 0.00 0.00 57.88 56.63 3dhw h LEU 54 Cb 1.37 -0.29 -0.29 0.00 0.09 0.00 0.00 40.66 41.54 3dhw h LEU 54 CO 0.66 0.85 -0.88 -1.61 0.09 0.00 0.00 178.44 177.55 3dhw s GLU 55 N -6.03 2.16 -0.24 1.13 0.41 -1.25 -5.07 118.70 109.80 3dhw s GLU 55 Ca -0.13 -0.91 -0.06 0.00 -0.41 0.00 0.00 54.97 53.46 3dhw s GLU 55 Cb 0.17 -2.08 -0.02 0.00 -1.78 0.00 0.00 34.13 30.43 3dhw s GLU 55 CO 0.82 0.56 0.03 0.50 -0.49 0.00 0.00 175.26 176.69 3dhw s ARG 56 N -0.61 3.53 -0.22 1.61 3.52 -1.26 -4.34 118.95 121.17 3dhw s ARG 56 Ca 0.10 -0.55 -0.17 0.00 -0.13 0.00 0.00 55.73 54.98 3dhw s ARG 56 Cb -0.10 -3.22 -0.03 0.00 -1.56 0.00 0.00 34.95 30.04 3dhw s ARG 56 CO -0.01 -0.21 0.48 -1.25 -0.81 0.00 0.00 175.30 173.51 3dhw s PRO 57 N 1.56 4.14 0.20 5.12 0.04 -1.26 -4.92 135.00 139.88 3dhw s PRO 57 Ca 0.06 0.31 -0.09 0.00 0.04 0.00 0.00 61.00 61.32 3dhw s PRO 57 Cb -0.15 -3.59 0.14 0.00 0.04 0.00 0.00 34.50 30.94 3dhw s PRO 57 CO 0.01 -0.20 1.78 1.15 0.04 0.00 0.00 177.00 179.78 3dhw h THR 58 N 5.21 1.25 -3.55 1.26 2.02 -1.91 -3.41 112.91 113.77 3dhw h THR 58 Ca -0.33 -0.76 -0.62 0.00 0.77 0.00 0.00 66.41 65.47 3dhw h THR 58 Cb 1.15 0.35 -0.13 0.00 -1.74 0.00 0.00 68.15 67.78 3dhw h THR 58 CO 0.72 0.31 0.16 -1.61 0.37 0.00 0.00 175.52 175.47 3dhw s GLU 59 N -5.60 3.78 0.00 6.66 2.02 -1.10 -4.86 118.70 119.60 3dhw s GLU 59 Ca -0.13 0.18 0.00 0.00 0.02 0.00 0.00 54.97 55.04 3dhw s GLU 59 Cb 0.15 -3.77 0.00 0.00 0.10 0.00 0.00 34.13 30.61 3dhw s GLU 59 CO 0.82 -0.67 0.00 0.41 0.02 0.00 0.00 175.26 175.84 3dhw n GLY 60 N 4.55 1.16 3.01 -1.39 0.00 -1.25 -0.50 105.19 110.77 3dhw n GLY 60 Ca -0.01 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 43.98 3dhw n GLY 60 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dhw s SER 61 N -0.42 0.35 -0.15 1.61 0.15 -0.96 -4.89 113.70 109.38 3dhw s SER 61 Ca 0.00 -0.62 -0.03 0.00 0.70 0.00 0.00 55.95 56.00 3dhw s SER 61 Cb 0.00 0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.41 3dhw s SER 61 CO 0.00 -0.36 -0.07 -0.69 1.20 0.00 0.00 173.24 173.32 3dhw s VAL 62 N -2.04 3.60 -0.21 4.45 1.01 -1.10 0.62 120.40 126.73 3dhw s VAL 62 Ca -0.10 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 3dhw s VAL 62 Cb -0.06 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.76 3dhw s VAL 62 CO -0.03 0.50 -0.10 -0.22 0.00 0.00 0.00 175.10 175.25 3dhw s LEU 63 N 0.44 2.63 -0.14 3.92 0.20 0.46 0.31 118.68 126.50 3dhw s LEU 63 Ca -0.06 -0.48 0.03 0.00 0.69 0.00 0.00 54.13 54.31 3dhw s LEU 63 Cb -0.15 -1.65 0.01 0.00 -0.43 0.00 0.00 46.19 43.97 3dhw s LEU 63 CO 0.03 -0.01 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.17 3dhw s VAL 64 N 1.41 2.07 -1.47 1.68 1.01 0.75 0.94 120.40 126.79 3dhw s VAL 64 Ca 0.05 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 3dhw s VAL 64 Cb -0.14 -1.82 0.06 0.00 0.00 0.00 0.00 36.38 34.48 3dhw s VAL 64 CO -0.07 0.55 1.06 -0.67 0.00 0.00 0.00 175.10 175.98 3dhw n ASP 65 N 4.03 -5.43 0.00 3.32 2.03 0.33 -2.06 116.55 118.76 3dhw n ASP 65 Ca -0.20 -0.69 0.00 0.00 0.52 0.00 0.00 54.79 54.42 3dhw n ASP 65 Cb 0.52 -4.32 0.00 0.00 -0.72 0.00 0.00 41.12 36.60 3dhw n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dhw n GLY 66 N -1.82 0.58 3.44 0.27 0.00 -1.22 -4.79 105.19 101.64 3dhw n GLY 66 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3dhw n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dhw s GLN 67 N -0.00 3.45 -0.13 1.61 -0.21 -0.88 -5.10 119.66 118.41 3dhw s GLN 67 Ca 0.00 -0.61 -0.14 0.00 0.02 0.00 0.00 55.36 54.63 3dhw s GLN 67 Cb 0.00 -2.74 -0.05 0.00 1.00 0.00 0.00 33.01 31.22 3dhw s GLN 67 CO 0.00 0.26 0.32 -1.21 -2.12 0.00 0.00 175.29 172.54 3dhw s GLU 68 N 0.27 4.15 -0.15 2.91 2.02 -1.26 -0.18 118.70 126.46 3dhw s GLU 68 Ca -0.07 0.17 -0.03 0.00 0.02 0.00 0.00 54.97 55.07 3dhw s GLU 68 Cb -0.15 -3.38 -0.02 0.00 0.10 0.00 0.00 34.13 30.68 3dhw s GLU 68 CO 0.04 0.34 -0.06 -0.51 0.02 0.00 0.00 175.26 175.10 3dhw s LEU 69 N 0.12 3.15 0.21 1.80 1.43 0.93 -4.93 118.68 121.40 3dhw s LEU 69 Ca 0.19 -0.17 -0.13 0.00 -1.03 0.00 0.00 54.13 52.99 3dhw s LEU 69 Cb -0.14 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.33 3dhw s LEU 69 CO 0.06 0.17 0.43 -0.89 0.23 0.00 0.00 176.35 176.35 3dhw s THR 70 N 0.36 0.02 -0.37 5.49 2.01 -1.26 -2.71 115.64 119.18 3dhw s THR 70 Ca -0.05 -1.27 -0.36 0.00 0.31 0.00 0.00 61.69 60.32 3dhw s THR 70 Cb -0.15 -1.97 -0.12 0.00 0.01 0.00 0.00 72.50 70.27 3dhw s THR 70 CO 0.03 -0.11 2.19 0.41 -0.69 0.00 0.00 174.62 176.46 3dhw n THR 71 N -0.33 0.16 0.00 -0.82 -1.04 -1.26 -4.82 114.28 106.17 3dhw n THR 71 Ca -0.05 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 3dhw n THR 71 Cb 0.62 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.65 3dhw n THR 71 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3dhw n LEU 72 N 9.56 0.00 -3.43 -4.42 4.77 -1.26 -5.17 117.00 117.05 3dhw n LEU 72 Ca 0.43 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.29 3dhw n LEU 72 Cb 0.19 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 3dhw n LEU 72 CO 0.78 0.00 0.43 -0.94 -1.33 0.00 0.00 177.39 176.32 3dhw s SER 73 N 0.01 -0.56 0.08 -1.43 1.04 -1.26 -5.06 113.70 106.52 3dhw s SER 73 Ca 0.00 0.05 -0.23 0.00 0.48 0.00 0.00 55.95 56.25 3dhw s SER 73 Cb 0.00 0.58 -0.15 0.00 0.10 0.00 0.00 66.02 66.54 3dhw s SER 73 CO 0.00 -0.91 1.70 -0.33 0.98 0.00 0.00 173.24 174.68 3dhw h GLU 74 N 2.07 0.00 -0.13 4.02 4.39 -2.02 -2.92 114.58 120.00 3dhw h GLU 74 Ca -0.32 -0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.23 3dhw h GLU 74 Cb 1.29 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.95 3dhw h GLU 74 CO 0.37 0.04 -0.50 0.77 -1.16 0.00 0.00 179.01 178.54 3dhw h SER 75 N -0.04 0.67 -0.51 1.42 0.02 -1.99 -2.18 113.55 110.93 3dhw h SER 75 Ca 0.00 -0.62 -0.12 0.00 -0.84 0.00 0.00 61.79 60.22 3dhw h SER 75 Cb 0.04 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 3dhw h SER 75 CO -0.00 1.17 -0.13 -0.33 -1.14 0.00 0.00 176.83 176.40 3dhw h GLU 76 N 0.21 1.01 -0.93 3.45 4.39 -2.00 -1.67 114.58 119.05 3dhw h GLU 76 Ca -0.03 -0.38 -0.01 0.00 0.34 0.00 0.00 59.36 59.28 3dhw h GLU 76 Cb 1.13 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.68 3dhw h GLU 76 CO 0.11 1.07 0.55 1.25 -1.16 0.00 0.00 179.01 180.83 3dhw h LEU 77 N 0.89 1.12 -0.87 1.33 5.85 -1.59 -3.25 115.31 118.80 3dhw h LEU 77 Ca 0.13 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3dhw h LEU 77 Cb 0.70 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 3dhw h LEU 77 CO 0.05 0.87 0.58 0.74 -0.34 0.00 0.00 178.44 180.33 3dhw h THR 78 N 1.28 1.23 -0.68 1.05 2.02 -0.63 0.11 112.91 117.29 3dhw h THR 78 Ca 0.33 -0.41 -0.08 0.00 0.77 0.00 0.00 66.41 67.02 3dhw h THR 78 Cb -0.04 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.28 3dhw h THR 78 CO -0.06 0.22 0.12 0.11 0.37 0.00 0.00 175.52 176.28 3dhw h LYS 79 N 1.18 1.12 -0.86 6.66 1.57 -1.57 -2.33 116.57 122.35 3dhw h LYS 79 Ca 0.32 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3dhw h LYS 79 Cb -0.13 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.00 3dhw h LYS 79 CO -0.07 1.01 0.44 0.00 -0.57 0.00 0.00 179.45 180.26 3dhw h ALA 80 N 1.08 1.10 -0.70 3.86 0.00 -1.42 -2.59 119.26 120.58 3dhw h ALA 80 Ca 0.21 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3dhw h ALA 80 Cb 0.43 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3dhw h ALA 80 CO 0.01 0.64 0.19 0.00 0.00 0.00 0.00 179.25 180.09 3dhw h ARG 81 N 1.21 1.11 -0.76 0.00 2.47 -0.75 -2.41 114.38 115.25 3dhw h ARG 81 Ca 0.30 -0.25 -0.02 0.00 -1.26 0.00 0.00 59.98 58.74 3dhw h ARG 81 Cb 0.08 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.21 3dhw h ARG 81 CO -0.04 0.97 0.37 0.00 0.56 0.00 0.00 179.97 181.83 3dhw h ARG 82 N 1.06 1.08 -0.97 0.04 3.08 -1.36 -2.78 114.38 114.53 3dhw h ARG 82 Ca 0.22 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 60.14 3dhw h ARG 82 Cb 0.34 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 3dhw h ARG 82 CO -0.00 0.82 0.64 1.96 -1.07 0.00 0.00 179.97 182.32 3dhw h GLN 83 N 1.07 1.27 -4.98 0.04 1.08 -1.03 -3.40 115.11 109.16 3dhw h GLN 83 Ca 0.26 -0.08 -0.66 0.00 -1.45 0.00 0.00 58.65 56.73 3dhw h GLN 83 Cb 0.09 -0.29 -0.27 0.00 -0.05 0.00 0.00 27.48 26.97 3dhw h GLN 83 CO -0.04 0.84 -0.70 -1.50 -0.95 0.00 0.00 178.83 176.49 3dhw s ILE 84 N -6.12 3.58 0.42 2.54 -1.16 -1.05 -3.16 121.20 116.24 3dhw s ILE 84 Ca -0.13 -0.42 0.07 0.00 -0.51 0.00 0.00 60.65 59.66 3dhw s ILE 84 Cb 0.18 -2.64 0.01 0.00 0.61 0.00 0.00 42.46 40.61 3dhw s ILE 84 CO 0.81 0.40 0.57 -0.83 -2.81 0.00 0.00 174.94 173.09 3dhw s GLY 85 N 1.51 1.87 -0.00 1.50 0.00 -0.92 -4.84 107.32 106.44 3dhw s GLY 85 Ca 0.06 -1.60 0.00 0.00 0.00 0.00 0.00 44.72 43.18 3dhw s GLY 85 CO -0.02 -1.43 -0.01 -0.29 0.00 0.00 0.00 173.10 171.36 3dhw s MET 86 N -4.35 0.07 -0.15 2.90 1.75 -1.26 -1.27 119.30 116.99 3dhw s MET 86 Ca 0.53 -0.03 -0.03 0.00 -1.25 0.00 0.00 55.69 54.92 3dhw s MET 86 Cb -0.10 -0.07 -0.02 0.00 2.84 0.00 0.00 34.83 37.48 3dhw s MET 86 CO 0.33 0.02 -0.06 0.42 -0.65 0.00 0.00 175.02 175.08 3dhw s ILE 87 N -0.02 3.65 0.44 10.11 -1.09 0.50 -4.75 121.20 130.03 3dhw s ILE 87 Ca 0.00 -0.45 0.03 0.00 -2.23 0.00 0.00 60.65 58.01 3dhw s ILE 87 Cb -0.00 -2.58 0.01 0.00 -1.58 0.00 0.00 42.46 38.30 3dhw s ILE 87 CO -0.00 0.50 0.63 -0.36 -1.23 0.00 0.00 174.94 174.48 3dhw s PHE 88 N 0.36 3.06 0.25 3.97 0.40 -1.26 -1.16 117.98 123.59 3dhw s PHE 88 Ca -0.06 -0.03 -0.06 0.00 -0.60 0.00 0.00 56.93 56.18 3dhw s PHE 88 Cb -0.15 -2.33 0.26 0.00 0.51 0.00 0.00 43.02 41.30 3dhw s PHE 88 CO 0.04 -0.39 1.92 1.96 0.70 0.00 0.00 175.22 179.45 3dhw h GLN 89 N 0.49 1.31 -6.06 0.44 4.20 -1.36 -3.32 115.11 110.81 3dhw h GLN 89 Ca -0.44 -0.09 -0.57 0.00 0.06 0.00 0.00 58.65 57.61 3dhw h GLN 89 Cb 1.27 -0.29 -0.04 0.00 0.30 0.00 0.00 27.48 28.72 3dhw h GLN 89 CO 0.53 0.88 -0.26 -1.01 -0.67 0.00 0.00 178.83 178.31 3dhw s HIS 90 N -6.07 1.55 0.26 2.96 3.76 -1.26 -4.60 115.29 111.89 3dhw s HIS 90 Ca -0.13 -0.83 -0.05 0.00 -0.15 0.00 0.00 55.06 53.90 3dhw s HIS 90 Cb 0.18 -1.96 0.29 0.00 1.11 0.00 0.00 32.58 32.19 3dhw s HIS 90 CO 0.82 -0.61 1.93 0.74 -0.85 0.00 0.00 174.74 176.77 3dhw h PHE 91 N 0.63 1.24 -5.78 1.40 0.04 -1.94 -3.48 116.94 109.06 3dhw h PHE 91 Ca -0.35 0.03 -0.36 0.00 2.80 0.00 0.00 57.97 60.08 3dhw h PHE 91 Cb 1.30 -0.42 0.14 0.00 2.20 0.00 0.00 35.95 39.17 3dhw h PHE 91 CO 0.89 0.78 -0.75 -1.71 -0.60 0.00 0.00 178.31 176.92 3dhw n ASN 92 N -4.39 -3.32 -4.39 2.17 4.05 -1.26 -4.70 115.26 103.42 3dhw n ASN 92 Ca 0.12 -0.62 -0.31 0.00 0.45 0.00 0.00 54.58 54.22 3dhw n ASN 92 Cb 0.02 -4.95 -0.14 0.00 1.23 0.00 0.00 39.78 35.94 3dhw n ASN 92 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3dhw s LEU 93 N -6.70 2.36 0.01 1.20 1.43 -1.26 -4.98 118.68 110.74 3dhw s LEU 93 Ca 0.20 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.52 3dhw s LEU 93 Cb -0.09 -1.40 -0.06 0.00 0.03 0.00 0.00 46.19 44.67 3dhw s LEU 93 CO 0.74 0.28 1.39 -0.76 0.23 0.00 0.00 176.35 178.23 3dhw s LEU 94 N -1.15 4.32 0.47 1.79 1.43 -1.26 -4.88 118.68 119.40 3dhw s LEU 94 Ca 0.12 2.11 0.25 0.00 -1.03 0.00 0.00 54.13 55.59 3dhw s LEU 94 Cb -0.10 -3.56 1.06 0.00 0.03 0.00 0.00 46.19 43.62 3dhw s LEU 94 CO 0.02 -0.70 1.89 0.77 0.23 0.00 0.00 176.35 178.56 3dhw h SER 95 N 7.73 0.00 -0.38 2.29 4.64 -1.98 -3.23 113.55 122.62 3dhw h SER 95 Ca -0.38 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.86 3dhw h SER 95 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3dhw h SER 95 CO 0.90 0.19 -0.08 -1.28 -0.87 0.00 0.00 176.83 175.68 3dhw h SER 96 N 0.00 0.73 -3.50 4.97 0.87 -2.00 -3.38 113.55 111.25 3dhw h SER 96 Ca -0.00 -0.36 -0.53 0.00 -1.23 0.00 0.00 61.79 59.67 3dhw h SER 96 Cb 0.65 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 3dhw h SER 96 CO 0.02 0.92 -0.06 -0.13 -0.53 0.00 0.00 176.83 177.05 3dhw s ARG 97 N -4.81 3.85 0.82 2.24 0.52 -1.22 -4.95 118.95 115.40 3dhw s ARG 97 Ca -0.13 0.37 -0.12 0.00 -0.52 0.00 0.00 55.73 55.33 3dhw s ARG 97 Cb 0.10 -2.60 0.09 0.00 0.52 0.00 0.00 34.95 33.06 3dhw s ARG 97 CO 0.81 0.28 1.18 0.95 0.02 0.00 0.00 175.30 178.54 3dhw s THR 98 N -1.85 2.02 0.25 0.02 -4.23 -1.26 -4.37 115.64 106.21 3dhw s THR 98 Ca 0.49 -0.02 -0.06 0.00 -1.18 0.00 0.00 61.69 60.91 3dhw s THR 98 Cb -0.11 -3.00 0.25 0.00 1.34 0.00 0.00 72.50 70.98 3dhw s THR 98 CO 0.20 0.00 1.92 0.58 -0.54 0.00 0.00 174.62 176.78 3dhw h VAL 99 N -1.08 1.26 -0.86 2.29 2.07 -1.55 0.66 116.25 119.03 3dhw h VAL 99 Ca -0.46 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 66.57 3dhw h VAL 99 Cb 1.32 -0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3dhw h VAL 99 CO 0.63 0.26 0.55 0.15 0.02 0.00 0.00 177.57 179.17 3dhw h PHE 100 N 1.35 1.11 -0.41 1.57 3.57 -1.66 -2.61 116.94 119.86 3dhw h PHE 100 Ca 0.36 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.79 3dhw h PHE 100 Cb -0.13 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.22 3dhw h PHE 100 CO 0.00 0.72 -0.06 0.78 -2.23 0.00 0.00 178.31 177.52 3dhw h GLY 101 N 1.18 0.83 1.00 2.40 0.00 -1.14 -3.17 103.07 104.17 3dhw h GLY 101 Ca 0.31 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3dhw h GLY 101 CO -0.06 0.60 0.31 3.43 0.00 0.00 0.00 176.54 180.82 3dhw h ASN 102 N 0.59 0.55 -0.38 0.19 2.35 0.59 0.68 115.58 120.14 3dhw h ASN 102 Ca 0.11 -0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.68 3dhw h ASN 102 Cb 0.57 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3dhw h ASN 102 CO 0.03 0.40 -0.39 0.58 -1.65 0.00 0.00 177.43 176.41 3dhw h VAL 103 N 0.64 1.27 -0.86 2.81 2.07 -1.69 -3.26 116.25 117.22 3dhw h VAL 103 Ca 0.17 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.13 3dhw h VAL 103 Cb -0.07 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3dhw h VAL 103 CO -0.04 0.52 0.54 0.00 0.02 0.00 0.00 177.57 178.62 3dhw h ALA 104 N 0.77 1.10 -0.35 1.67 0.00 -1.37 -3.33 119.26 117.76 3dhw h ALA 104 Ca 0.06 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3dhw h ALA 104 Cb 0.99 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3dhw h ALA 104 CO 0.10 0.54 0.14 -0.07 0.00 0.00 0.00 179.25 179.96 3dhw h LEU 105 N 1.18 0.19 -0.67 0.00 3.38 0.31 -3.06 115.31 116.64 3dhw h LEU 105 Ca 0.31 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.45 3dhw h LEU 105 Cb -0.08 -0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.55 3dhw h LEU 105 CO -0.06 0.15 -0.05 1.55 0.09 0.00 0.00 178.44 180.11 3dhw h PRO 106 N 0.31 0.07 -0.83 1.13 0.13 -1.72 -1.39 132.00 129.70 3dhw h PRO 106 Ca 0.15 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.26 3dhw h PRO 106 Cb 0.10 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.17 3dhw h PRO 106 CO -0.13 0.05 0.44 -0.07 -0.23 0.00 0.00 178.00 178.05 3dhw h LEU 107 N 0.07 1.05 -0.93 1.56 3.38 -1.77 -3.23 115.31 115.43 3dhw h LEU 107 Ca 0.35 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3dhw h LEU 107 Cb 0.57 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3dhw h LEU 107 CO -0.62 0.86 0.55 -0.08 0.09 0.00 0.00 178.44 179.24 3dhw h GLU 108 N 1.16 1.28 -0.89 1.13 4.81 -1.16 -2.43 114.58 118.49 3dhw h GLU 108 Ca 0.29 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3dhw h GLU 108 Cb 0.06 -0.26 -0.04 0.00 0.63 0.00 0.00 28.75 29.13 3dhw h GLU 108 CO -0.04 0.91 0.58 -0.07 -0.73 0.00 0.00 179.01 179.65 3dhw h LEU 109 N 1.30 1.03 0.00 1.64 3.38 -1.48 -3.38 115.31 117.80 3dhw h LEU 109 Ca 0.33 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.17 3dhw h LEU 109 Cb -0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3dhw h LEU 109 CO -0.06 0.76 -1.35 0.47 0.09 0.00 0.00 178.44 178.35 3dhw n ASP 110 N -4.45 2.30 -0.17 -0.43 8.00 -1.23 -4.90 116.55 115.68 3dhw n ASP 110 Ca 0.10 0.01 -0.10 0.00 0.71 0.00 0.00 54.79 55.51 3dhw n ASP 110 Cb 0.02 -0.13 0.02 0.00 -0.02 0.00 0.00 41.12 41.01 3dhw n ASP 110 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 3dhw h ASN 111 N -0.09 1.01 -3.81 -2.24 -0.26 -1.66 -3.49 115.58 105.03 3dhw h ASN 111 Ca -0.14 -0.35 -0.16 0.00 -0.56 0.00 0.00 56.30 55.08 3dhw h ASN 111 Cb 1.18 -0.28 0.08 0.00 -1.06 0.00 0.00 38.32 38.25 3dhw h ASN 111 CO -0.05 1.14 -0.38 0.41 -1.06 0.00 0.00 177.43 177.49 3dhw n THR 112 N -4.13 -3.00 -3.09 2.81 -1.04 -1.22 -5.00 114.28 99.62 3dhw n THR 112 Ca 0.01 -0.25 -0.44 0.00 -2.04 0.00 0.00 64.05 61.33 3dhw n THR 112 Cb 0.42 -3.75 0.01 0.00 -1.82 0.00 0.00 70.33 65.19 3dhw n THR 112 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3dhw n PRO 113 N -2.54 4.00 -0.27 -2.82 -0.04 -1.26 -4.91 135.00 127.16 3dhw n PRO 113 Ca -0.14 -4.41 -0.05 0.00 -0.04 0.00 0.00 63.50 58.86 3dhw n PRO 113 Cb 0.58 -2.58 0.06 0.00 -0.04 0.00 0.00 33.50 31.52 3dhw n PRO 113 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3dhw h LYS 114 N 6.02 0.98 -0.02 0.54 1.57 -1.97 -2.14 116.57 121.55 3dhw h LYS 114 Ca 0.21 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3dhw h LYS 114 Cb 0.73 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3dhw h LYS 114 CO 1.22 0.66 -0.17 -0.25 -0.57 0.00 0.00 179.45 180.34 3dhw n ASP 115 N -4.56 2.58 -1.20 0.86 8.00 -1.26 -4.08 116.55 116.90 3dhw n ASP 115 Ca 0.07 -1.79 0.11 0.00 0.71 0.00 0.00 54.79 53.89 3dhw n ASP 115 Cb 0.02 0.18 0.28 0.00 -0.02 0.00 0.00 41.12 41.58 3dhw n ASP 115 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3dhw n GLU 116 N 0.81 2.52 0.02 -1.24 1.02 -1.05 -4.08 120.64 118.64 3dhw n GLU 116 Ca 0.12 -2.34 -0.12 0.00 -0.02 0.00 0.00 57.16 54.80 3dhw n GLU 116 Cb 0.53 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 30.37 3dhw n GLU 116 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3dhw h VAL 117 N 4.10 1.03 -0.58 2.62 2.07 -1.54 -3.09 116.25 120.87 3dhw h VAL 117 Ca 0.00 -0.08 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 3dhw h VAL 117 Cb 0.92 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 3dhw h VAL 117 CO 0.00 0.03 -0.04 0.11 0.02 0.00 0.00 177.57 177.69 3dhw h LYS 118 N 0.04 1.04 -0.06 1.57 1.57 -1.88 -3.23 116.57 115.61 3dhw h LYS 118 Ca 0.02 -0.34 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3dhw h LYS 118 Cb 0.02 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 3dhw h LYS 118 CO -0.00 1.04 0.04 0.00 -0.57 0.00 0.00 179.45 179.95 3dhw h ARG 119 N 0.94 0.09 -0.32 3.15 3.08 -1.73 -1.84 114.38 117.74 3dhw h ARG 119 Ca 0.16 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 60.04 3dhw h ARG 119 Cb 0.59 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3dhw h ARG 119 CO 0.04 0.11 -0.43 0.00 -1.07 0.00 0.00 179.97 178.61 3dhw h ARG 120 N 0.04 0.81 -0.06 0.04 3.08 -1.71 -2.81 114.38 113.76 3dhw h ARG 120 Ca 0.02 -0.45 -0.00 0.00 0.07 0.00 0.00 59.98 59.63 3dhw h ARG 120 Cb 0.05 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 3dhw h ARG 120 CO -0.00 1.08 0.04 0.28 -1.07 0.00 0.00 179.97 180.29 3dhw h VAL 121 N 0.65 1.06 -0.82 2.04 2.07 -1.55 0.16 116.25 119.86 3dhw h VAL 121 Ca 0.04 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 3dhw h VAL 121 Cb 1.00 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 3dhw h VAL 121 CO 0.10 0.05 0.40 0.74 0.02 0.00 0.00 177.57 178.88 3dhw h THR 122 N 0.04 1.25 -0.64 2.57 2.02 -1.41 0.55 112.91 117.29 3dhw h THR 122 Ca 0.02 -0.70 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 3dhw h THR 122 Cb 0.05 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.63 3dhw h THR 122 CO -0.00 0.30 0.28 -0.33 0.37 0.00 0.00 175.52 176.14 3dhw h GLU 123 N 1.17 0.93 -0.26 6.66 5.08 -1.34 -2.85 114.58 123.97 3dhw h GLU 123 Ca 0.28 -0.15 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 3dhw h GLU 123 Cb 0.11 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3dhw h GLU 123 CO -0.04 0.76 -0.40 -0.07 -1.00 0.00 0.00 179.01 178.26 3dhw h LEU 124 N 0.88 0.66 -0.92 1.33 3.38 -0.13 -3.19 115.31 117.32 3dhw h LEU 124 Ca 0.22 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3dhw h LEU 124 Cb 0.16 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 3dhw h LEU 124 CO -0.02 0.99 0.61 -0.07 0.09 0.00 0.00 178.44 180.04 3dhw h LEU 125 N 0.51 1.06 -0.60 1.67 3.38 0.22 -2.60 115.31 118.95 3dhw h LEU 125 Ca 0.04 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3dhw h LEU 125 Cb 0.92 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3dhw h LEU 125 CO 0.08 0.77 -0.05 -1.28 0.09 0.00 0.00 178.44 178.05 3dhw h SER 126 N 1.25 1.04 -0.27 -0.43 0.87 -1.52 0.45 113.55 114.94 3dhw h SER 126 Ca 0.34 -0.32 0.01 0.00 -1.23 0.00 0.00 61.79 60.59 3dhw h SER 126 Cb -0.14 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.52 3dhw h SER 126 CO -0.07 1.12 0.17 0.25 -0.53 0.00 0.00 176.83 177.76 3dhw h LEU 127 N 0.95 0.29 -1.24 2.23 5.85 -1.49 -2.69 115.31 119.21 3dhw h LEU 127 Ca 0.16 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 3dhw h LEU 127 Cb 0.62 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3dhw h LEU 127 CO 0.04 0.21 -0.37 -0.37 -0.34 0.00 0.00 178.44 177.61 3dhw h VAL 128 N 0.35 1.16 0.00 1.05 -1.51 -1.53 -3.46 116.25 112.30 3dhw h VAL 128 Ca 0.10 -1.31 0.00 0.00 -1.23 0.00 0.00 66.70 64.26 3dhw h VAL 128 Cb -0.02 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 30.86 3dhw h VAL 128 CO -0.03 0.36 0.00 0.61 -1.23 0.00 0.00 177.57 177.28 3dhw n GLY 129 N -0.33 1.29 1.35 5.19 0.00 -1.02 -4.85 105.19 106.83 3dhw n GLY 129 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 3dhw n GLY 129 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3dhw n LEU 130 N 0.00 3.94 -4.95 0.99 7.94 -1.22 -5.00 117.00 118.70 3dhw n LEU 130 Ca 0.00 -1.95 -0.26 0.00 -1.11 0.00 0.00 56.01 52.69 3dhw n LEU 130 Cb 0.00 -0.47 0.11 0.00 0.53 0.00 0.00 43.42 43.59 3dhw n LEU 130 CO 0.00 0.97 0.66 -0.83 -1.11 0.00 0.00 177.39 177.08 3dhw s GLY 131 N -1.05 1.73 0.00 -3.96 0.00 0.16 -4.01 107.32 100.19 3dhw s GLY 131 Ca 0.49 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 44.01 3dhw s GLY 131 CO 0.34 -0.66 0.00 1.22 0.00 0.00 0.00 173.10 173.99 3dhw n ASP 132 N -3.11 0.00 -0.31 1.64 10.43 -1.26 -4.33 116.55 119.61 3dhw n ASP 132 Ca 0.12 0.00 -0.05 0.00 2.57 0.00 0.00 54.79 57.43 3dhw n ASP 132 Cb 0.60 0.00 0.08 0.00 1.84 0.00 0.00 41.12 43.64 3dhw n ASP 132 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 3dhw h LYS 133 N 0.00 1.22 -0.44 -1.24 1.57 -1.96 -3.37 116.57 112.36 3dhw h LYS 133 Ca 0.00 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3dhw h LYS 133 Cb 0.00 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.09 3dhw h LYS 133 CO 0.00 0.95 0.00 0.72 -0.57 0.00 0.00 179.45 180.55 3dhw n HIS 134 N -4.30 1.08 -0.15 -1.35 8.25 -1.26 -4.66 115.22 112.84 3dhw n HIS 134 Ca 0.08 -0.67 -0.08 0.00 -0.26 0.00 0.00 57.72 56.79 3dhw n HIS 134 Cb 0.15 -0.23 0.01 0.00 1.12 0.00 0.00 29.99 31.04 3dhw n HIS 134 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3dhw h ASP 135 N 2.81 0.55 -0.94 0.41 3.32 -1.83 -2.49 116.42 118.25 3dhw h ASP 135 Ca 0.00 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.01 3dhw h ASP 135 Cb 1.29 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.66 3dhw h ASP 135 CO 0.18 0.43 0.62 0.28 -1.72 0.00 0.00 179.24 179.04 3dhw h SER 136 N 0.61 1.09 -3.10 6.45 0.02 -1.90 -2.31 113.55 114.40 3dhw h SER 136 Ca 0.16 -0.03 -0.53 0.00 -0.84 0.00 0.00 61.79 60.55 3dhw h SER 136 Cb -0.01 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.26 3dhw h SER 136 CO -0.03 0.79 0.64 -0.31 -1.14 0.00 0.00 176.83 176.78 3dhw s TYR 137 N -6.11 3.33 0.00 3.45 1.51 -0.94 -4.75 117.35 113.85 3dhw s TYR 137 Ca -0.13 1.14 0.00 0.00 -1.01 0.00 0.00 57.07 57.07 3dhw s TYR 137 Cb 0.17 -3.54 0.00 0.00 -0.11 0.00 0.00 41.96 38.48 3dhw s TYR 137 CO 0.81 -1.78 0.00 -0.35 -1.11 0.00 0.00 175.55 173.12 3dhw n PRO 138 N 4.01 0.00 -0.51 -1.71 -0.04 -1.26 -2.77 135.00 132.72 3dhw n PRO 138 Ca 0.10 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.64 3dhw n PRO 138 Cb 0.45 0.00 0.27 0.00 -0.04 0.00 0.00 33.50 34.18 3dhw n PRO 138 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3dhw n SER 139 N 0.00 4.03 -1.66 3.54 7.64 -1.26 -4.21 113.62 121.70 3dhw n SER 139 Ca 0.00 -3.04 0.08 0.00 1.01 0.00 0.00 58.87 56.92 3dhw n SER 139 Cb 0.00 -0.56 0.36 0.00 -1.01 0.00 0.00 64.21 63.00 3dhw n SER 139 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3dhw n ASN 140 N -0.42 4.96 -4.79 6.43 5.15 -1.26 -5.00 115.26 120.32 3dhw n ASN 140 Ca 0.23 -2.59 -0.33 0.00 -0.60 0.00 0.00 54.58 51.28 3dhw n ASN 140 Cb 0.93 -0.61 0.02 0.00 -0.53 0.00 0.00 39.78 39.59 3dhw n ASN 140 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3dhw s LEU 141 N -2.09 3.54 0.78 1.20 1.02 -1.26 -5.06 118.68 116.80 3dhw s LEU 141 Ca 0.51 1.94 -0.11 0.00 0.02 0.00 0.00 54.13 56.49 3dhw s LEU 141 Cb 0.35 -4.55 0.06 0.00 0.02 0.00 0.00 46.19 42.07 3dhw s LEU 141 CO 0.21 -1.28 1.09 -0.94 0.02 0.00 0.00 176.35 175.45 3dhw s SER 142 N -2.49 4.44 0.13 2.29 1.04 -1.26 -4.65 113.70 113.19 3dhw s SER 142 Ca 0.66 1.78 -0.20 0.00 0.48 0.00 0.00 55.95 58.67 3dhw s SER 142 Cb -0.19 -2.48 -0.03 0.00 0.10 0.00 0.00 66.02 63.42 3dhw s SER 142 CO 0.35 -2.07 1.70 1.23 0.98 0.00 0.00 173.24 175.43 3dhw h GLY 143 N -1.15 0.13 1.01 7.32 0.00 -1.99 0.33 103.07 108.70 3dhw h GLY 143 Ca -0.44 0.07 0.01 0.00 0.00 0.00 0.00 47.33 46.96 3dhw h GLY 143 CO 0.52 -0.08 0.49 -1.33 0.00 0.00 0.00 176.54 176.15 3dhw h GLY 144 N -0.01 1.07 1.02 4.60 0.00 -1.96 -2.70 103.07 105.10 3dhw h GLY 144 Ca 0.09 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3dhw h GLY 144 CO -0.20 0.40 0.55 1.46 0.00 0.00 0.00 176.54 178.76 3dhw h GLN 145 N 1.03 1.29 -0.89 4.80 4.20 -1.85 -1.25 115.11 122.43 3dhw h GLN 145 Ca 0.28 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.87 3dhw h GLN 145 Cb -0.10 -0.26 -0.04 0.00 0.30 0.00 0.00 27.48 27.37 3dhw h GLN 145 CO -0.06 0.91 0.59 0.87 -0.67 0.00 0.00 178.83 180.47 3dhw h LYS 146 N 1.30 1.17 -0.89 1.46 1.57 -0.63 0.84 116.57 121.40 3dhw h LYS 146 Ca 0.34 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 3dhw h LYS 146 Cb -0.03 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 31.97 3dhw h LYS 146 CO -0.06 0.78 0.48 0.37 -0.57 0.00 0.00 179.45 180.45 3dhw h GLN 147 N 1.20 1.24 -0.99 3.15 5.75 -1.12 -1.70 115.11 122.65 3dhw h GLN 147 Ca 0.32 -0.15 0.01 0.00 -0.15 0.00 0.00 58.65 58.69 3dhw h GLN 147 Cb -0.14 -0.24 -0.05 0.00 1.07 0.00 0.00 27.48 28.12 3dhw h GLN 147 CO -0.07 0.91 0.66 0.00 -2.65 0.00 0.00 178.83 177.68 3dhw h ARG 148 N 1.25 1.30 -0.96 1.69 3.08 0.07 -1.06 114.38 119.75 3dhw h ARG 148 Ca 0.31 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.29 3dhw h ARG 148 Cb 0.03 -0.29 -0.05 0.00 0.08 0.00 0.00 29.97 29.74 3dhw h ARG 148 CO -0.05 0.86 0.63 0.28 -1.07 0.00 0.00 179.97 180.62 3dhw h VAL 149 N 1.34 1.25 -0.97 2.04 2.07 -0.00 -0.99 116.25 121.00 3dhw h VAL 149 Ca 0.36 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3dhw h VAL 149 Cb -0.15 -0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 29.41 3dhw h VAL 149 CO -0.08 0.25 0.61 0.00 0.02 0.00 0.00 177.57 178.37 3dhw h ALA 150 N 1.35 1.23 -0.56 1.67 0.00 -0.79 -1.42 119.26 120.73 3dhw h ALA 150 Ca 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3dhw h ALA 150 Cb -0.13 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.24 3dhw h ALA 150 CO -0.07 0.65 0.37 0.82 0.00 0.00 0.00 179.25 181.01 3dhw h ILE 151 N 1.32 1.15 0.01 0.00 1.08 -0.07 -2.41 117.51 118.59 3dhw h ILE 151 Ca 0.35 -0.28 -0.00 0.00 -0.39 0.00 0.00 64.86 64.54 3dhw h ILE 151 Cb -0.10 0.33 0.00 0.00 -3.07 0.00 0.00 36.82 33.98 3dhw h ILE 151 CO -0.07 0.14 -0.00 0.00 -0.69 0.00 0.00 178.15 177.53 3dhw h ALA 152 N 1.20 -0.01 -0.89 1.87 0.00 -0.41 -2.29 119.26 118.73 3dhw h ALA 152 Ca 0.20 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3dhw h ALA 152 Cb -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3dhw h ALA 152 CO -0.04 -0.49 0.56 -0.09 0.00 0.00 0.00 179.25 179.18 3dhw h ARG 153 N -0.04 1.20 -0.38 0.00 2.43 -1.26 -2.30 114.38 114.04 3dhw h ARG 153 Ca -0.00 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.01 3dhw h ARG 153 Cb 0.03 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 3dhw h ARG 153 CO 0.00 0.83 -0.05 0.00 -1.51 0.00 0.00 179.97 179.24 3dhw h ALA 154 N 1.30 1.22 -0.01 2.80 0.00 -1.46 -2.54 119.26 120.57 3dhw h ALA 154 Ca 0.32 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dhw h ALA 154 Cb -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3dhw h ALA 154 CO -0.06 0.51 -0.01 1.28 0.00 0.00 0.00 179.25 180.97 3dhw n LEU 155 N -4.23 1.16 -0.37 0.00 4.77 -0.86 -4.08 117.00 113.40 3dhw n LEU 155 Ca 0.02 -0.38 -0.02 0.00 -0.03 0.00 0.00 56.01 55.59 3dhw n LEU 155 Cb 0.29 -0.01 0.11 0.00 -2.33 0.00 0.00 43.42 41.49 3dhw n LEU 155 CO 0.40 0.19 1.28 0.00 -1.33 0.00 0.00 177.39 177.94 3dhw h ALA 156 N 4.25 1.27 -0.90 -1.18 0.00 -0.96 -2.33 119.26 119.40 3dhw h ALA 156 Ca 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3dhw h ALA 156 Cb 0.40 -0.40 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3dhw h ALA 156 CO 0.00 0.66 0.55 0.77 0.00 0.00 0.00 179.25 181.24 3dhw h SER 157 N 1.34 1.07 -5.48 0.00 0.02 -1.76 -3.47 113.55 105.28 3dhw h SER 157 Ca 0.36 -0.06 -0.26 0.00 -0.84 0.00 0.00 61.79 60.99 3dhw h SER 157 Cb -0.13 -0.27 0.19 0.00 0.14 0.00 0.00 62.40 62.33 3dhw h SER 157 CO -0.08 0.82 -0.85 0.59 -1.14 0.00 0.00 176.83 176.17 3dhw n ASN 158 N -4.37 -6.25 -2.27 3.07 4.13 -0.88 -5.01 115.26 103.68 3dhw n ASN 158 Ca 0.10 -0.71 0.00 0.00 1.68 0.00 0.00 54.58 55.65 3dhw n ASN 158 Cb 0.05 -5.17 0.00 0.00 -1.54 0.00 0.00 39.78 33.12 3dhw n ASN 158 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 3dhw n PRO 159 N -3.33 0.40 -0.05 3.52 -0.04 -1.26 -5.07 135.00 129.17 3dhw n PRO 159 Ca -0.09 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.32 3dhw n PRO 159 Cb 0.62 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 34.00 3dhw n PRO 159 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3dhw n LYS 160 N -0.68 2.15 -4.58 0.54 5.02 -1.21 -4.84 118.16 114.56 3dhw n LYS 160 Ca 0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 3dhw n LYS 160 Cb 0.00 -1.27 -0.17 0.00 -0.02 0.00 0.00 35.03 33.58 3dhw n LYS 160 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3dhw s VAL 161 N -2.25 1.12 -0.03 -0.18 1.01 -1.19 -2.79 120.40 116.10 3dhw s VAL 161 Ca -0.06 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3dhw s VAL 161 Cb 0.03 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.40 3dhw s VAL 161 CO 0.41 0.35 -0.05 -0.22 0.00 0.00 0.00 175.10 175.60 3dhw s LEU 162 N 0.66 1.58 -0.18 3.92 2.96 0.31 -2.17 118.68 125.76 3dhw s LEU 162 Ca -0.14 -0.12 -0.07 0.00 -0.22 0.00 0.00 54.13 53.58 3dhw s LEU 162 Cb -0.16 -0.40 -0.04 0.00 0.50 0.00 0.00 46.19 46.10 3dhw s LEU 162 CO 0.04 -0.00 0.05 -0.76 -1.32 0.00 0.00 176.35 174.36 3dhw s LEU 163 N 0.51 3.76 -0.20 -0.68 1.43 -0.40 -2.64 118.68 120.47 3dhw s LEU 163 Ca -0.07 0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 53.03 3dhw s LEU 163 Cb -0.10 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 3dhw s LEU 163 CO -0.00 0.17 0.03 0.00 0.23 0.00 0.00 176.35 176.78 3dhw s ASP 165 N 0.85 4.65 -1.62 0.00 -1.08 -0.31 -3.17 116.67 115.99 3dhw s ASP 165 Ca 0.02 -2.63 -0.05 0.00 -0.52 0.00 0.00 52.55 49.37 3dhw s ASP 165 Cb -0.14 -1.68 0.05 0.00 -1.46 0.00 0.00 42.92 39.69 3dhw s ASP 165 CO 0.02 -0.32 0.13 -0.62 0.52 0.00 0.00 175.17 174.90 3dhw n GLU 166 N 3.66 -0.92 0.31 4.34 1.02 -1.23 -1.18 120.64 126.64 3dhw n GLU 166 Ca 0.04 0.10 0.20 0.00 -0.02 0.00 0.00 57.16 57.49 3dhw n GLU 166 Cb 0.37 -3.83 1.02 0.00 -0.02 0.00 0.00 31.44 28.98 3dhw n GLU 166 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dhw h ALA 167 N 0.81 1.04 -0.03 0.62 0.00 -1.81 -3.11 119.26 116.77 3dhw h ALA 167 Ca -0.65 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3dhw h ALA 167 Cb 1.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3dhw h ALA 167 CO 0.75 0.01 -0.06 0.25 0.00 0.00 0.00 179.25 180.20 3dhw n THR 168 N -3.15 0.00 -0.11 0.00 -2.24 -1.26 -4.48 114.28 103.04 3dhw n THR 168 Ca -0.02 -0.47 -0.13 0.00 -2.27 0.00 0.00 64.05 61.16 3dhw n THR 168 Cb 0.15 1.45 -0.01 0.00 -2.10 0.00 0.00 70.33 69.82 3dhw n THR 168 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3dhw h SER 169 N 4.26 0.98 -0.19 3.42 4.64 -1.84 -3.25 113.55 121.58 3dhw h SER 169 Ca 0.00 -0.45 -0.15 0.00 -0.47 0.00 0.00 61.79 60.72 3dhw h SER 169 Cb 0.93 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 3dhw h SER 169 CO 0.00 1.25 -0.41 0.00 -0.87 0.00 0.00 176.83 176.80 3dhw h ALA 170 N 0.79 0.71 -2.62 5.18 0.00 -1.81 -3.46 119.26 118.06 3dhw h ALA 170 Ca 0.06 -0.46 -0.50 0.00 0.00 0.00 0.00 54.91 54.01 3dhw h ALA 170 Cb 0.98 -0.11 0.07 0.00 0.00 0.00 0.00 17.79 18.73 3dhw h ALA 170 CO 0.10 0.67 0.44 -0.51 0.00 0.00 0.00 179.25 179.95 3dhw s LEU 171 N -8.66 3.82 0.58 0.00 1.43 -1.23 -5.01 118.68 109.61 3dhw s LEU 171 Ca -0.09 2.20 -0.19 0.00 -1.03 0.00 0.00 54.13 55.02 3dhw s LEU 171 Cb 0.12 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.81 3dhw s LEU 171 CO 0.85 -1.13 1.20 -1.81 0.23 0.00 0.00 176.35 175.69 3dhw s ASP 172 N -1.67 5.28 0.21 2.29 1.01 -1.26 -4.64 116.67 117.89 3dhw s ASP 172 Ca 0.70 2.36 -0.11 0.00 0.71 0.00 0.00 52.55 56.21 3dhw s ASP 172 Cb -0.25 -2.60 0.28 0.00 1.01 0.00 0.00 42.92 41.37 3dhw s ASP 172 CO 0.29 -1.53 1.67 1.55 0.21 0.00 0.00 175.17 177.35 3dhw h PRO 173 N 0.94 0.12 -0.71 8.23 0.13 -1.95 0.48 132.00 139.25 3dhw h PRO 173 Ca -0.50 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3dhw h PRO 173 Cb 1.29 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 3dhw h PRO 173 CO 0.55 0.08 0.45 0.00 -0.23 0.00 0.00 178.00 178.85 3dhw h ALA 174 N 1.54 0.90 -0.71 -0.56 0.00 -2.02 -2.94 119.26 115.47 3dhw h ALA 174 Ca 0.31 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3dhw h ALA 174 Cb 0.50 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3dhw h ALA 174 CO -0.51 0.34 0.19 1.15 0.00 0.00 0.00 179.25 180.42 3dhw h THR 175 N 0.96 1.26 -0.97 0.00 2.02 -1.60 -3.33 112.91 111.24 3dhw h THR 175 Ca 0.26 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.48 3dhw h THR 175 Cb -0.07 0.52 -0.05 0.00 -1.74 0.00 0.00 68.15 66.81 3dhw h THR 175 CO -0.05 0.37 0.62 0.74 0.37 0.00 0.00 175.52 177.57 3dhw h THR 176 N 1.07 1.26 -0.71 3.16 2.02 0.08 -0.40 112.91 119.39 3dhw h THR 176 Ca 0.22 -0.50 -0.06 0.00 0.77 0.00 0.00 66.41 66.85 3dhw h THR 176 Cb 0.36 -0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 3dhw h THR 176 CO -0.00 0.25 0.20 0.03 0.37 0.00 0.00 175.52 176.37 3dhw h ARG 177 N 1.32 1.12 -0.20 6.66 3.08 -1.65 -2.91 114.38 121.82 3dhw h ARG 177 Ca 0.35 -0.26 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 3dhw h ARG 177 Cb -0.12 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.77 3dhw h ARG 177 CO -0.07 0.98 -0.19 0.77 -1.07 0.00 0.00 179.97 180.39 3dhw h SER 178 N 1.06 0.50 -0.80 7.04 0.02 -1.57 -2.65 113.55 117.15 3dhw h SER 178 Ca 0.23 -0.47 -0.03 0.00 -0.84 0.00 0.00 61.79 60.68 3dhw h SER 178 Cb 0.34 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 3dhw h SER 178 CO -0.00 0.87 0.40 0.40 -1.14 0.00 0.00 176.83 177.36 3dhw h ILE 179 N 0.14 1.25 -0.60 3.27 1.08 -1.07 0.05 117.51 121.62 3dhw h ILE 179 Ca 0.03 -0.67 -0.07 0.00 -0.39 0.00 0.00 64.86 63.76 3dhw h ILE 179 Cb 0.73 0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.68 3dhw h ILE 179 CO 0.05 0.29 0.12 -0.07 -0.69 0.00 0.00 178.15 177.84 3dhw h LEU 180 N 1.12 0.94 -1.12 1.44 3.38 -1.53 -1.68 115.31 117.87 3dhw h LEU 180 Ca 0.28 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3dhw h LEU 180 Cb 0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3dhw h LEU 180 CO -0.04 0.95 -0.38 -0.33 0.09 0.00 0.00 178.44 178.73 3dhw h GLU 181 N 0.90 0.00 -0.91 1.13 5.08 -1.17 -2.31 114.58 117.30 3dhw h GLU 181 Ca 0.19 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3dhw h GLU 181 Cb 0.40 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 3dhw h GLU 181 CO 0.01 0.38 0.60 1.25 -1.00 0.00 0.00 179.01 180.25 3dhw h LEU 182 N 0.00 1.04 -1.18 1.33 5.85 -0.42 -0.17 115.31 121.76 3dhw h LEU 182 Ca -0.00 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3dhw h LEU 182 Cb 0.79 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 3dhw h LEU 182 CO 0.05 0.75 0.29 -0.07 -0.34 0.00 0.00 178.44 179.13 3dhw h LEU 183 N 1.23 0.78 -1.02 2.25 4.07 -0.80 -3.05 115.31 118.78 3dhw h LEU 183 Ca 0.33 -0.08 -0.00 0.00 0.08 0.00 0.00 57.88 58.21 3dhw h LEU 183 Cb -0.14 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 41.35 3dhw h LEU 183 CO -0.07 0.66 0.57 0.11 -1.08 0.00 0.00 178.44 178.63 3dhw h LYS 184 N 0.86 1.24 -0.77 1.13 1.57 -0.57 -1.99 116.57 118.04 3dhw h LYS 184 Ca 0.21 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 3dhw h LYS 184 Cb 0.09 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 3dhw h LYS 184 CO -0.03 0.86 0.28 0.22 -0.57 0.00 0.00 179.45 180.21 3dhw h ASP 185 N 1.26 1.09 0.87 0.86 1.82 -1.36 0.95 116.42 121.91 3dhw h ASP 185 Ca 0.33 -0.19 -0.15 0.00 -0.39 0.00 0.00 57.03 56.63 3dhw h ASP 185 Cb -0.08 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 39.63 3dhw h ASP 185 CO -0.06 0.98 -0.74 0.16 -1.61 0.00 0.00 179.24 177.97 3dhw h ILE 186 N 1.13 1.45 -0.74 2.25 3.07 -1.55 -2.38 117.51 120.74 3dhw h ILE 186 Ca 0.25 -2.59 0.00 0.00 1.55 0.00 0.00 64.86 64.07 3dhw h ILE 186 Cb 0.26 2.43 -0.04 0.00 -0.27 0.00 0.00 36.82 39.20 3dhw h ILE 186 CO -0.02 0.72 0.47 -1.13 -1.05 0.00 0.00 178.15 177.15 3dhw h ASN 187 N 0.00 0.86 -0.75 2.16 -1.24 -0.95 -3.07 115.58 112.59 3dhw h ASN 187 Ca -0.01 -0.04 -0.03 0.00 0.71 0.00 0.00 56.30 56.93 3dhw h ASN 187 Cb 1.37 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 40.17 3dhw h ASN 187 CO 0.10 0.64 0.33 0.03 -1.29 0.00 0.00 177.43 177.24 3dhw h ARG 188 N 1.00 1.10 -7.10 6.67 3.08 -0.62 -3.33 114.38 115.19 3dhw h ARG 188 Ca 0.27 -0.18 -0.46 0.00 0.07 0.00 0.00 59.98 59.68 3dhw h ARG 188 Cb -0.09 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.78 3dhw h ARG 188 CO -0.06 0.88 0.36 1.03 -1.07 0.00 0.00 179.97 181.11 3dhw s ARG 189 N -5.63 4.00 0.00 0.04 0.52 -0.91 -4.63 118.95 112.34 3dhw s ARG 189 Ca -0.13 1.15 0.00 0.00 -0.52 0.00 0.00 55.73 56.23 3dhw s ARG 189 Cb 0.15 -2.14 0.00 0.00 0.52 0.00 0.00 34.95 33.48 3dhw s ARG 189 CO 0.82 -0.23 0.00 -0.11 0.02 0.00 0.00 175.30 175.80 3dhw n LEU 190 N -1.02 0.00 0.00 2.53 7.94 -1.26 -4.35 117.00 120.83 3dhw n LEU 190 Ca 0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 3dhw n LEU 190 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 3dhw n LEU 190 CO 0.40 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.29 3dhw n GLY 191 N 0.00 0.31 3.64 -3.96 0.00 -1.25 -4.92 105.19 99.00 3dhw n GLY 191 Ca 0.00 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 3dhw n GLY 191 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dhw s LEU 192 N 0.00 4.07 -0.06 0.99 1.43 -1.26 -4.02 118.68 119.84 3dhw s LEU 192 Ca 0.00 0.90 -0.30 0.00 -1.03 0.00 0.00 54.13 53.70 3dhw s LEU 192 Cb 0.00 -3.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 3dhw s LEU 192 CO 0.00 -0.46 1.12 -0.89 0.23 0.00 0.00 176.35 176.34 3dhw s THR 193 N 2.72 4.46 -0.03 5.49 2.01 -1.12 -4.75 115.64 124.42 3dhw s THR 193 Ca 0.31 1.76 0.05 0.00 0.31 0.00 0.00 61.69 64.13 3dhw s THR 193 Cb -0.15 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.20 3dhw s THR 193 CO 0.08 0.02 -0.18 0.27 -0.69 0.00 0.00 174.62 174.12 3dhw s ILE 194 N 1.94 2.76 -0.26 1.82 -4.36 -1.22 -0.53 121.20 121.35 3dhw s ILE 194 Ca 0.53 -0.90 -0.09 0.00 -0.26 0.00 0.00 60.65 59.93 3dhw s ILE 194 Cb -0.23 -2.07 -0.04 0.00 1.25 0.00 0.00 42.46 41.38 3dhw s ILE 194 CO 0.22 0.54 0.12 -0.22 0.24 0.00 0.00 174.94 175.84 3dhw s LEU 195 N -0.83 3.70 -0.14 0.37 2.96 -1.08 -1.79 118.68 121.87 3dhw s LEU 195 Ca 0.12 -0.12 -0.00 0.00 -0.22 0.00 0.00 54.13 53.91 3dhw s LEU 195 Cb -0.10 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 3dhw s LEU 195 CO 0.01 -0.04 -0.13 -0.22 -1.32 0.00 0.00 176.35 174.65 3dhw s LEU 196 N 1.66 2.68 -0.15 -0.68 2.96 0.48 -0.53 118.68 125.10 3dhw s LEU 196 Ca 0.07 -0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 53.60 3dhw s LEU 196 Cb -0.15 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 3dhw s LEU 196 CO 0.07 0.14 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.55 3dhw s ILE 197 N 0.47 3.63 0.01 6.68 -1.09 -1.19 -2.47 121.20 127.24 3dhw s ILE 197 Ca -0.09 -0.45 0.00 0.00 -2.23 0.00 0.00 60.65 57.88 3dhw s ILE 197 Cb -0.16 -2.58 -0.01 0.00 -1.58 0.00 0.00 42.46 38.13 3dhw s ILE 197 CO 0.05 0.50 -0.02 0.28 -1.23 0.00 0.00 174.94 174.51 3dhw s THR 198 N 0.37 0.09 0.15 2.92 -1.32 -0.97 -3.54 115.64 113.34 3dhw s THR 198 Ca -0.06 -0.66 -0.10 0.00 -1.21 0.00 0.00 61.69 59.66 3dhw s THR 198 Cb -0.15 -0.20 -0.05 0.00 -1.51 0.00 0.00 72.50 70.59 3dhw s THR 198 CO 0.04 -0.36 1.47 -0.74 -2.21 0.00 0.00 174.62 172.82 3dhw h HIS 199 N 5.07 1.07 -3.01 9.09 2.76 -1.85 -3.27 115.15 125.01 3dhw h HIS 199 Ca -0.30 -0.34 -0.44 0.00 -2.20 0.00 0.00 60.37 57.09 3dhw h HIS 199 Cb 1.21 -0.22 -0.15 0.00 1.55 0.00 0.00 27.41 29.80 3dhw h HIS 199 CO 0.59 1.16 -0.74 -1.21 -1.30 0.00 0.00 177.93 176.43 3dhw s GLU 200 N -4.29 1.27 0.25 5.26 2.02 -1.26 -4.61 118.70 117.34 3dhw s GLU 200 Ca -0.10 -1.54 -0.06 0.00 0.02 0.00 0.00 54.97 53.29 3dhw s GLU 200 Cb 0.11 -1.07 0.26 0.00 0.10 0.00 0.00 34.13 33.53 3dhw s GLU 200 CO 0.88 0.18 1.93 0.52 0.02 0.00 0.00 175.26 178.79 3dhw h MET 201 N 2.71 1.32 -0.97 1.61 2.86 -1.86 -3.11 114.93 117.49 3dhw h MET 201 Ca -0.38 -0.08 0.26 0.00 -2.06 0.00 0.00 59.70 57.43 3dhw h MET 201 Cb 1.21 -0.30 -0.06 0.00 0.06 0.00 0.00 31.60 32.52 3dhw h MET 201 CO 0.60 0.88 0.66 -0.44 1.06 0.00 0.00 176.91 179.68 3dhw h ASP 202 N 1.36 0.22 -0.78 1.22 3.32 -1.93 0.97 116.42 120.81 3dhw h ASP 202 Ca 0.37 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.41 3dhw h ASP 202 Cb -0.15 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 3dhw h ASP 202 CO -0.08 0.07 0.34 0.58 -1.72 0.00 0.00 179.24 178.43 3dhw h VAL 203 N 0.21 1.25 -0.78 -1.35 2.07 -1.94 -1.44 116.25 114.28 3dhw h VAL 203 Ca 0.50 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 3dhw h VAL 203 Cb 1.58 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 3dhw h VAL 203 CO -0.12 0.32 0.29 0.58 0.02 0.00 0.00 177.57 178.65 3dhw h VAL 204 N 1.12 1.26 -0.80 2.57 2.07 0.79 -3.24 116.25 120.02 3dhw h VAL 204 Ca 0.26 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 3dhw h VAL 204 Cb 0.17 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 3dhw h VAL 204 CO -0.03 0.35 0.31 0.11 0.02 0.00 0.00 177.57 178.33 3dhw h LYS 205 N 1.15 1.20 -0.37 1.57 1.57 -0.70 -2.22 116.57 118.77 3dhw h LYS 205 Ca 0.26 -0.22 -0.17 0.00 -1.87 0.00 0.00 60.65 58.65 3dhw h LYS 205 Cb 0.25 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 3dhw h LYS 205 CO -0.02 0.97 -0.42 0.00 -0.57 0.00 0.00 179.45 179.42 3dhw h ARG 206 N 1.17 0.93 0.00 3.15 3.08 -1.31 -3.40 114.38 118.00 3dhw h ARG 206 Ca 0.27 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3dhw h ARG 206 Cb 0.23 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3dhw h ARG 206 CO -0.02 1.17 0.00 0.44 -1.07 0.00 0.00 179.97 180.48 3dhw n ILE 207 N -4.05 0.08 -3.60 2.04 -5.35 -1.25 -4.89 119.36 102.35 3dhw n ILE 207 Ca -0.03 -0.18 -0.38 0.00 -0.27 0.00 0.00 62.75 61.89 3dhw n ILE 207 Cb 0.56 1.48 -0.11 0.00 -1.74 0.00 0.00 39.64 39.83 3dhw n ILE 207 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dhw h ASP 209 N 8.30 1.03 -4.22 0.00 3.32 -1.62 -3.44 116.42 119.79 3dhw h ASP 209 Ca -0.35 -0.37 -0.55 0.00 0.02 0.00 0.00 57.03 55.78 3dhw h ASP 209 Cb 1.19 -0.28 -0.22 0.00 0.22 0.00 0.00 39.33 40.23 3dhw h ASP 209 CO 0.56 1.17 -0.83 0.00 -1.72 0.00 0.00 179.24 178.43 3dhw s VAL 211 N -1.10 0.07 0.12 0.00 0.11 -0.95 0.29 120.40 118.93 3dhw s VAL 211 Ca 0.06 -0.21 0.08 0.00 -2.93 0.00 0.00 61.98 58.98 3dhw s VAL 211 Cb -0.10 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 3dhw s VAL 211 CO 0.04 -0.09 -0.12 0.00 -3.33 0.00 0.00 175.10 171.59 3dhw s ALA 212 N -0.30 2.87 -0.15 1.54 0.00 0.88 -1.99 121.76 124.61 3dhw s ALA 212 Ca -0.03 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.62 3dhw s ALA 212 Cb -0.02 -0.80 -0.00 0.00 0.00 0.00 0.00 23.12 22.30 3dhw s ALA 212 CO -0.00 0.60 -0.16 0.08 0.00 0.00 0.00 175.76 176.28 3dhw s VAL 213 N -1.27 2.61 -0.13 0.00 1.01 0.83 -1.69 120.40 121.76 3dhw s VAL 213 Ca 0.21 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.42 3dhw s VAL 213 Cb -0.11 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.19 3dhw s VAL 213 CO 0.13 0.52 -0.22 -0.63 0.00 0.00 0.00 175.10 174.90 3dhw s ILE 214 N 0.81 2.16 -0.10 2.22 1.01 0.69 -0.66 121.20 127.33 3dhw s ILE 214 Ca -0.06 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.63 3dhw s ILE 214 Cb -0.15 -1.86 0.03 0.00 0.01 0.00 0.00 42.46 40.49 3dhw s ILE 214 CO -0.00 0.55 -0.05 -0.55 0.00 0.00 0.00 174.94 174.89 3dhw s SER 215 N 0.65 1.92 -1.59 3.58 0.15 -1.21 -4.28 113.70 112.94 3dhw s SER 215 Ca -0.11 -0.22 -0.15 0.00 0.70 0.00 0.00 55.95 56.17 3dhw s SER 215 Cb -0.16 -0.69 0.11 0.00 -1.71 0.00 0.00 66.02 63.57 3dhw s SER 215 CO 0.02 -0.14 0.88 0.59 1.20 0.00 0.00 173.24 175.79 3dhw n ASN 216 N 4.94 -4.24 0.00 5.45 3.02 -1.25 -3.58 115.26 119.60 3dhw n ASN 216 Ca -0.11 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 3dhw n ASN 216 Cb 0.50 -3.42 0.00 0.00 -0.61 0.00 0.00 39.78 36.25 3dhw n ASN 216 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dhw n GLY 217 N -1.54 1.56 3.30 7.41 0.00 -1.08 -4.80 105.19 110.04 3dhw n GLY 217 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3dhw n GLY 217 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dhw s GLU 218 N -0.51 2.20 -0.43 1.61 2.02 -1.23 -1.81 118.70 120.54 3dhw s GLU 218 Ca 0.00 -0.92 -0.29 0.00 0.02 0.00 0.00 54.97 53.78 3dhw s GLU 218 Cb 0.00 -2.07 0.03 0.00 0.10 0.00 0.00 34.13 32.19 3dhw s GLU 218 CO 0.00 0.53 1.12 -0.51 0.02 0.00 0.00 175.26 176.41 3dhw s LEU 219 N -0.52 3.72 0.11 1.80 1.02 -1.26 -3.33 118.68 120.22 3dhw s LEU 219 Ca 0.07 0.63 -0.20 0.00 0.02 0.00 0.00 54.13 54.65 3dhw s LEU 219 Cb -0.11 -3.54 -0.09 0.00 0.02 0.00 0.00 46.19 42.47 3dhw s LEU 219 CO -0.00 -1.15 1.73 0.40 0.02 0.00 0.00 176.35 177.36 3dhw h ILE 220 N 6.09 1.07 -3.95 -0.59 5.03 -1.24 -3.44 117.51 120.48 3dhw h ILE 220 Ca -0.22 -0.18 -0.17 0.00 -0.12 0.00 0.00 64.86 64.17 3dhw h ILE 220 Cb 1.06 0.89 -0.21 0.00 -3.03 0.00 0.00 36.82 35.53 3dhw h ILE 220 CO 1.10 0.07 -0.69 -1.61 -0.68 0.00 0.00 178.15 176.34 3dhw s GLU 221 N -6.02 0.31 -0.30 2.37 2.02 -1.15 -4.94 118.70 111.00 3dhw s GLU 221 Ca -0.13 -0.59 -0.03 0.00 0.02 0.00 0.00 54.97 54.24 3dhw s GLU 221 Cb 0.08 0.11 0.11 0.00 0.10 0.00 0.00 34.13 34.53 3dhw s GLU 221 CO 0.69 -0.05 0.17 -1.14 0.02 0.00 0.00 175.26 174.95 3dhw s GLN 222 N -1.44 0.27 0.24 1.61 0.74 -1.26 0.29 119.66 120.11 3dhw s GLN 222 Ca -0.16 -0.60 0.01 0.00 0.05 0.00 0.00 55.36 54.66 3dhw s GLN 222 Cb -0.10 -1.10 -0.05 0.00 1.10 0.00 0.00 33.01 32.87 3dhw s GLN 222 CO -0.01 -1.05 0.10 -0.51 -0.55 0.00 0.00 175.29 173.27 3dhw s ASP 223 N 1.97 0.91 0.45 6.67 1.01 -0.84 -4.99 116.67 121.85 3dhw s ASP 223 Ca 0.11 -1.38 -0.23 0.00 0.71 0.00 0.00 52.55 51.76 3dhw s ASP 223 Cb -0.17 0.22 -0.08 0.00 1.01 0.00 0.00 42.92 43.91 3dhw s ASP 223 CO -0.30 -0.76 1.13 -0.89 0.21 0.00 0.00 175.17 174.57 3dhw s THR 224 N -3.86 3.27 0.21 -1.27 2.01 -1.26 -2.25 115.64 112.48 3dhw s THR 224 Ca 0.38 0.95 -0.09 0.00 0.31 0.00 0.00 61.69 63.23 3dhw s THR 224 Cb 0.08 -3.48 0.16 0.00 0.01 0.00 0.00 72.50 69.27 3dhw s THR 224 CO 0.13 -0.02 1.84 0.58 -0.69 0.00 0.00 174.62 176.46 3dhw h VAL 225 N 1.92 1.23 -0.97 3.82 2.07 -1.74 -1.79 116.25 120.78 3dhw h VAL 225 Ca -0.49 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.48 3dhw h VAL 225 Cb 1.24 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 3dhw h VAL 225 CO 0.61 0.25 0.63 0.28 0.02 0.00 0.00 177.57 179.35 3dhw h SER 226 N 1.07 1.14 -0.64 0.57 0.02 -1.79 -3.27 113.55 110.64 3dhw h SER 226 Ca 0.28 -0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 61.04 3dhw h SER 226 Cb 0.01 -0.29 -0.08 0.00 0.14 0.00 0.00 62.40 62.18 3dhw h SER 226 CO -0.05 0.84 0.16 -0.62 -1.14 0.00 0.00 176.83 176.03 3dhw n GLU 227 N -4.37 3.89 -3.55 3.45 1.02 -0.99 -4.91 120.64 115.18 3dhw n GLU 227 Ca 0.11 -3.10 -0.40 0.00 -0.02 0.00 0.00 57.16 53.76 3dhw n GLU 227 Cb 0.03 -2.18 -0.11 0.00 -0.02 0.00 0.00 31.44 29.16 3dhw n GLU 227 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3dhw s VAL 228 N -2.94 5.26 0.00 2.62 1.01 -0.71 -4.68 120.40 120.96 3dhw s VAL 228 Ca 0.54 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.39 3dhw s VAL 228 Cb 0.43 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 33.17 3dhw s VAL 228 CO 0.13 0.06 0.69 0.49 0.00 0.00 0.00 175.10 176.47 3dhw n PHE 229 N 5.09 0.00 0.00 5.22 3.01 -1.26 -5.06 117.46 124.46 3dhw n PHE 229 Ca -0.13 -0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.29 3dhw n PHE 229 Cb 0.50 0.16 0.00 0.00 -0.01 0.00 0.00 39.48 40.14 3dhw n PHE 229 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3dhw n SER 230 N 0.01 0.00 -4.77 4.37 2.88 -1.26 -5.04 113.62 109.81 3dhw n SER 230 Ca -0.01 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.15 3dhw n SER 230 Cb 0.58 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.03 3dhw n SER 230 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3dhw s HIS 231 N 0.00 2.94 0.00 0.66 3.76 -1.26 -4.73 115.29 116.67 3dhw s HIS 231 Ca 0.00 1.54 0.00 0.00 -0.15 0.00 0.00 55.06 56.45 3dhw s HIS 231 Cb 0.00 -3.39 0.00 0.00 1.11 0.00 0.00 32.58 30.30 3dhw s HIS 231 CO 0.00 -1.45 0.00 -2.30 -0.85 0.00 0.00 174.74 170.14 3dhw n PRO 232 N -0.28 0.00 -0.31 8.40 -0.02 -1.26 -4.25 135.00 137.28 3dhw n PRO 232 Ca 0.06 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.66 3dhw n PRO 232 Cb 0.47 -0.26 0.28 0.00 -0.02 0.00 0.00 33.50 33.98 3dhw n PRO 232 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3dhw n LYS 233 N 0.52 2.65 -0.17 -0.52 2.85 -1.26 -4.64 118.16 117.59 3dhw n LYS 233 Ca 0.00 -2.51 -0.03 0.00 -1.05 0.00 0.00 58.31 54.72 3dhw n LYS 233 Cb 0.00 -1.53 0.04 0.00 -0.65 0.00 0.00 35.03 32.89 3dhw n LYS 233 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 3dhw h THR 234 N 4.20 0.48 -1.10 0.58 2.02 -1.94 -3.04 112.91 114.12 3dhw h THR 234 Ca 0.00 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.48 3dhw h THR 234 Cb 0.97 0.48 -0.09 0.00 -1.74 0.00 0.00 68.15 67.77 3dhw h THR 234 CO 0.00 0.00 0.72 1.55 0.37 0.00 0.00 175.52 178.16 3dhw h PRO 235 N -0.00 0.29 -0.01 6.66 0.13 -1.98 0.22 132.00 137.31 3dhw h PRO 235 Ca 0.25 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 3dhw h PRO 235 Cb 0.38 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.45 3dhw h PRO 235 CO -0.54 0.19 -0.15 1.28 -0.23 0.00 0.00 178.00 178.55 3dhw n LEU 236 N -4.58 1.29 -0.83 1.56 4.32 -1.16 -4.00 117.00 113.61 3dhw n LEU 236 Ca 0.27 -0.39 0.13 0.00 -0.02 0.00 0.00 56.01 55.99 3dhw n LEU 236 Cb 1.00 -0.07 0.23 0.00 -1.62 0.00 0.00 43.42 42.96 3dhw n LEU 236 CO 0.27 0.23 0.70 0.00 -1.22 0.00 0.00 177.39 177.37 3dhw n ALA 237 N -0.25 2.49 -0.36 -1.18 0.00 0.76 -4.34 120.51 117.64 3dhw n ALA 237 Ca 0.15 -0.63 -0.02 0.00 0.00 0.00 0.00 53.44 52.93 3dhw n ALA 237 Cb 0.36 -0.92 0.11 0.00 0.00 0.00 0.00 19.45 19.00 3dhw n ALA 237 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3dhw h GLN 238 N 4.01 1.30 -4.84 0.00 1.08 -1.65 -3.38 115.11 111.62 3dhw h GLN 238 Ca 0.00 -0.10 -0.62 0.00 -1.45 0.00 0.00 58.65 56.48 3dhw h GLN 238 Cb 0.85 -0.28 -0.03 0.00 -0.05 0.00 0.00 27.48 27.98 3dhw h GLN 238 CO 0.00 0.88 2.32 1.63 -0.95 0.00 0.00 178.83 182.71 3dhw n LYS 239 N -4.37 2.35 -0.11 1.46 5.02 -1.26 -4.72 118.16 116.53 3dhw n LYS 239 Ca 0.11 -2.54 -0.14 0.00 -2.02 0.00 0.00 58.31 53.73 3dhw n LYS 239 Cb 0.04 -3.32 -0.03 0.00 -0.02 0.00 0.00 35.03 31.70 3dhw n LYS 239 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3dhw h PHE 240 N 7.55 1.06 -0.99 2.13 -5.15 -1.97 -3.37 116.94 116.20 3dhw h PHE 240 Ca 0.44 -0.33 0.04 0.00 -0.20 0.00 0.00 57.97 57.92 3dhw h PHE 240 Cb 0.76 -0.22 -0.21 0.00 0.22 0.00 0.00 35.95 36.50 3dhw h PHE 240 CO 1.35 1.14 -0.37 -1.50 -2.00 0.00 0.00 178.31 176.93 3dhw s ILE 241 N -4.34 -0.99 -1.62 0.88 -1.16 -1.26 -4.91 121.20 107.79 3dhw s ILE 241 Ca -0.11 0.00 -0.16 0.00 -0.51 0.00 0.00 60.65 59.86 3dhw s ILE 241 Cb 0.10 -0.99 0.12 0.00 0.61 0.00 0.00 42.46 42.30 3dhw s ILE 241 CO 0.87 0.00 0.90 0.00 -2.81 0.00 0.00 174.94 173.90 3dhw n GLN 242 N 5.42 -4.37 -1.96 3.50 1.13 -1.26 -4.74 117.38 115.10 3dhw n GLN 242 Ca 0.04 0.49 -0.42 0.00 -1.94 0.00 0.00 57.00 55.17 3dhw n GLN 242 Cb 0.54 -5.31 -0.03 0.00 0.11 0.00 0.00 30.24 25.55 3dhw n GLN 242 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 3dhw s SER 243 N -3.29 6.62 0.46 1.08 0.01 -1.26 -4.96 113.70 112.36 3dhw s SER 243 Ca 0.71 2.59 -0.16 0.00 1.31 0.00 0.00 55.95 60.40 3dhw s SER 243 Cb -0.37 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.18 3dhw s SER 243 CO 0.88 -0.80 0.91 -0.89 0.41 0.00 0.00 173.24 173.75 3dhw s THR 244 N 1.09 4.57 0.39 1.44 2.01 -1.26 -4.96 115.64 118.92 3dhw s THR 244 Ca 0.69 1.12 0.21 0.00 0.31 0.00 0.00 61.69 64.01 3dhw s THR 244 Cb -0.43 -3.69 0.22 0.00 0.01 0.00 0.00 72.50 68.61 3dhw s THR 244 CO 0.32 -0.53 1.98 -0.07 -0.69 0.00 0.00 174.62 175.62 3dhw h LEU 245 N 1.32 0.00 -1.58 4.42 4.07 -2.02 -3.14 115.31 118.36 3dhw h LEU 245 Ca -0.47 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.46 3dhw h LEU 245 Cb 1.18 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.92 3dhw h LEU 245 CO 0.62 0.20 -0.13 0.45 -1.08 0.00 0.00 178.44 178.51 3dhw h HIS 246 N 0.00 0.00 -0.93 1.13 3.86 -1.93 -3.35 115.15 113.93 3dhw h HIS 246 Ca -0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3dhw h HIS 246 Cb 0.44 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.87 3dhw h HIS 246 CO 0.00 0.13 0.58 -0.07 0.86 0.00 0.00 177.93 179.43 3dhw h LEU 247 N 0.00 1.10 -0.85 2.43 4.07 -1.95 -1.53 115.31 118.58 3dhw h LEU 247 Ca -0.00 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.91 3dhw h LEU 247 Cb 0.51 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.97 3dhw h LEU 247 CO 0.02 0.83 0.00 0.47 -1.08 0.00 0.00 178.44 178.68 3dhw n ASP 248 N -4.37 1.27 -3.31 -0.43 8.00 -1.25 -4.47 116.55 111.99 3dhw n ASP 248 Ca 0.11 -1.72 -0.26 0.00 0.71 0.00 0.00 54.79 53.63 3dhw n ASP 248 Cb 0.04 -0.10 -0.08 0.00 -0.02 0.00 0.00 41.12 40.97 3dhw n ASP 248 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3dhw n ILE 249 N 0.09 0.89 -2.85 0.53 5.41 -0.58 -5.01 119.36 117.84 3dhw n ILE 249 Ca 0.14 -4.64 -0.43 0.00 1.00 0.00 0.00 62.75 58.82 3dhw n ILE 249 Cb 0.25 -2.03 -0.04 0.00 -0.71 0.00 0.00 39.64 37.11 3dhw n ILE 249 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3dhw s PRO 250 N -1.85 3.36 0.23 0.38 0.02 -1.26 -4.86 135.00 131.03 3dhw s PRO 250 Ca 0.37 -0.21 -0.08 0.00 0.02 0.00 0.00 61.00 61.11 3dhw s PRO 250 Cb 0.16 -4.03 0.23 0.00 0.02 0.00 0.00 34.50 30.87 3dhw s PRO 250 CO -0.06 -1.43 1.90 1.49 -0.33 0.00 0.00 177.00 178.58 3dhw h GLU 251 N 9.26 1.17 0.00 5.54 4.81 -1.95 -2.59 114.58 130.81 3dhw h GLU 251 Ca -0.26 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3dhw h GLU 251 Cb 1.07 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.19 3dhw h GLU 251 CO 1.07 0.77 -0.02 0.38 -0.73 0.00 0.00 179.01 180.48 3dhw h ASP 252 N 1.20 0.00 -0.42 1.04 -0.00 -1.99 -2.93 116.42 113.32 3dhw h ASP 252 Ca 0.33 -0.01 -0.14 0.00 -0.00 0.00 0.00 57.03 57.21 3dhw h ASP 252 Cb -0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.20 3dhw h ASP 252 CO -0.08 0.00 -0.30 1.88 -0.00 0.00 0.00 179.24 180.75 3dhw h TYR 253 N 0.00 1.10 -0.40 4.15 0.05 -1.85 -0.25 116.97 119.78 3dhw h TYR 253 Ca 0.00 -0.30 -0.16 0.00 0.05 0.00 0.00 58.73 58.32 3dhw h TYR 253 Cb 0.76 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 3dhw h TYR 253 CO 0.00 1.12 -0.36 1.96 -1.05 0.00 0.00 178.16 179.83 3dhw h GLN 254 N 0.77 0.94 0.00 4.88 4.20 -1.44 -2.06 115.11 122.40 3dhw h GLN 254 Ca 0.08 -0.49 -0.03 0.00 0.06 0.00 0.00 58.65 58.28 3dhw h GLN 254 Cb 0.88 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.67 3dhw h GLN 254 CO 0.08 1.14 -0.13 1.05 -0.67 0.00 0.00 178.83 180.31 3dhw h GLU 255 N 0.77 0.00 -0.73 1.46 4.11 -1.35 -1.99 114.58 116.84 3dhw h GLU 255 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 3dhw h GLU 255 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3dhw h GLU 255 CO 0.09 0.13 0.00 0.54 0.07 0.00 0.00 179.01 179.84 3dhw n ARG 256 N -3.30 2.72 -3.57 1.06 1.74 -0.12 -4.93 116.66 110.26 3dhw n ARG 256 Ca 0.00 -2.67 -0.38 0.00 -0.77 0.00 0.00 57.85 54.03 3dhw n ARG 256 Cb 0.35 -1.58 -0.11 0.00 -1.02 0.00 0.00 32.46 30.11 3dhw n ARG 256 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3dhw s LEU 257 N -1.03 4.02 -0.15 0.55 2.96 -0.75 -4.33 118.68 119.95 3dhw s LEU 257 Ca 0.49 0.02 0.02 0.00 -0.22 0.00 0.00 54.13 54.44 3dhw s LEU 257 Cb 0.26 -2.15 0.01 0.00 0.50 0.00 0.00 46.19 44.80 3dhw s LEU 257 CO 0.34 -0.06 -0.20 -1.10 -1.32 0.00 0.00 176.35 174.01 3dhw s GLN 258 N 1.78 3.07 0.13 1.98 -1.52 -0.88 -4.97 119.66 119.24 3dhw s GLN 258 Ca 0.08 -0.82 -0.12 0.00 -1.95 0.00 0.00 55.36 52.55 3dhw s GLN 258 Cb -0.16 -2.52 -0.06 0.00 -0.22 0.00 0.00 33.01 30.06 3dhw s GLN 258 CO 0.11 -0.05 1.46 0.00 -0.25 0.00 0.00 175.29 176.56 3dhw h ALA 259 N 7.44 0.52 -2.49 6.09 0.00 -1.86 -2.06 119.26 126.90 3dhw h ALA 259 Ca -0.35 -0.43 -0.53 0.00 0.00 0.00 0.00 54.91 53.59 3dhw h ALA 259 Cb 1.18 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.87 3dhw h ALA 259 CO 0.57 0.59 0.58 -2.00 0.00 0.00 0.00 179.25 179.00 3dhw s GLU 260 N -4.39 4.42 0.25 0.00 -6.30 -1.26 -4.65 118.70 106.76 3dhw s GLU 260 Ca -0.12 1.82 -0.30 0.00 -2.50 0.00 0.00 54.97 53.87 3dhw s GLU 260 Cb 0.10 -3.33 -0.10 0.00 0.00 0.00 0.00 34.13 30.80 3dhw s GLU 260 CO 0.86 -0.28 1.44 -1.25 0.02 0.00 0.00 175.26 176.05 3dhw s PRO 261 N 1.06 4.27 0.05 4.30 0.04 -1.26 -4.85 135.00 138.60 3dhw s PRO 261 Ca 0.60 2.30 -0.01 0.00 0.04 0.00 0.00 61.00 63.93 3dhw s PRO 261 Cb -0.31 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 3dhw s PRO 261 CO 0.29 -0.42 -0.03 -0.59 0.04 0.00 0.00 177.00 176.29 3dhw s PHE 262 N 0.00 0.51 0.37 0.56 -0.12 -1.26 -5.15 117.98 112.90 3dhw s PHE 262 Ca 0.59 -1.05 -0.28 0.00 -0.05 0.00 0.00 56.93 56.14 3dhw s PHE 262 Cb -0.42 -0.38 -0.11 0.00 -0.63 0.00 0.00 43.02 41.48 3dhw s PHE 262 CO 0.43 -0.38 1.50 0.99 -0.05 0.00 0.00 175.22 177.71 3dhw s THR 263 N -3.86 2.03 -1.29 -4.49 2.01 -1.26 -3.99 115.64 104.79 3dhw s THR 263 Ca 0.06 0.03 -0.00 0.00 0.31 0.00 0.00 61.69 62.10 3dhw s THR 263 Cb 0.08 -3.02 -0.00 0.00 0.01 0.00 0.00 72.50 69.56 3dhw s THR 263 CO -0.10 0.01 0.73 0.47 -0.69 0.00 0.00 174.62 175.04 3dhw n ASP 264 N 0.57 -1.29 -4.20 3.53 8.00 -1.26 -5.04 116.55 116.86 3dhw n ASP 264 Ca 0.01 -0.80 -0.16 0.00 0.71 0.00 0.00 54.79 54.55 3dhw n ASP 264 Cb 0.39 -4.16 -0.11 0.00 -0.02 0.00 0.00 41.12 37.22 3dhw n ASP 264 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dhw s VAL 266 N -2.08 4.12 0.19 0.00 1.01 -1.26 -4.98 120.40 117.40 3dhw s VAL 266 Ca 0.05 1.52 -0.18 0.00 0.00 0.00 0.00 61.98 63.37 3dhw s VAL 266 Cb -0.05 -3.97 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 3dhw s VAL 266 CO 0.02 0.11 0.66 -2.16 0.00 0.00 0.00 175.10 173.73 3dhw s PRO 267 N 1.09 4.17 -0.12 2.72 0.04 -1.26 -0.95 135.00 140.69 3dhw s PRO 267 Ca 0.58 0.75 0.01 0.00 0.04 0.00 0.00 61.00 62.39 3dhw s PRO 267 Cb -0.29 -2.93 -0.01 0.00 0.04 0.00 0.00 34.50 31.31 3dhw s PRO 267 CO 0.29 0.44 -0.17 1.41 0.04 0.00 0.00 177.00 179.01 3dhw s MET 268 N -1.89 3.25 0.08 4.56 1.75 -0.25 -2.99 119.30 123.82 3dhw s MET 268 Ca 0.40 -0.76 0.06 0.00 -1.25 0.00 0.00 55.69 54.15 3dhw s MET 268 Cb -0.17 -2.50 -0.03 0.00 2.84 0.00 0.00 34.83 34.97 3dhw s MET 268 CO 0.20 0.20 -0.17 -0.51 -0.65 0.00 0.00 175.02 174.10 3dhw s LEU 269 N 0.34 2.29 -0.20 4.11 1.43 0.73 -2.48 118.68 124.89 3dhw s LEU 269 Ca -0.14 -0.65 -0.06 0.00 -1.03 0.00 0.00 54.13 52.26 3dhw s LEU 269 Cb -0.17 -0.68 -0.03 0.00 0.03 0.00 0.00 46.19 45.35 3dhw s LEU 269 CO 0.07 -0.02 0.02 -0.60 0.23 0.00 0.00 176.35 176.05 3dhw s ARG 270 N -1.81 3.67 -0.02 1.70 3.52 -0.70 -1.82 118.95 123.48 3dhw s ARG 270 Ca 0.02 -0.49 0.08 0.00 -0.13 0.00 0.00 55.73 55.20 3dhw s ARG 270 Cb -0.10 -3.12 -0.02 0.00 -1.56 0.00 0.00 34.95 30.15 3dhw s ARG 270 CO 0.03 0.03 -0.25 -0.51 -0.81 0.00 0.00 175.30 173.79 3dhw s LEU 271 N 0.98 2.05 -0.01 -0.88 1.43 -0.53 -3.74 118.68 117.98 3dhw s LEU 271 Ca 0.02 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 3dhw s LEU 271 Cb -0.14 -1.31 -0.01 0.00 0.03 0.00 0.00 46.19 44.76 3dhw s LEU 271 CO 0.02 0.31 -0.10 -0.70 0.23 0.00 0.00 176.35 176.11 3dhw s GLU 272 N -0.59 0.78 -0.28 1.70 2.12 -1.26 -0.90 118.70 120.28 3dhw s GLU 272 Ca 0.10 -0.36 -0.11 0.00 0.36 0.00 0.00 54.97 54.95 3dhw s GLU 272 Cb -0.10 -0.76 -0.05 0.00 0.26 0.00 0.00 34.13 33.48 3dhw s GLU 272 CO -0.01 0.21 0.19 -0.06 -0.54 0.00 0.00 175.26 175.05 3dhw s PHE 273 N -0.26 3.23 0.23 5.30 0.08 -0.81 -1.60 117.98 124.14 3dhw s PHE 273 Ca 0.03 0.13 -0.07 0.00 0.12 0.00 0.00 56.93 57.14 3dhw s PHE 273 Cb -0.04 -2.37 0.21 0.00 -0.57 0.00 0.00 43.02 40.24 3dhw s PHE 273 CO -0.00 -0.15 1.86 1.15 -0.10 0.00 0.00 175.22 177.98 3dhw h THR 274 N 5.35 1.26 0.00 0.64 2.02 -1.59 -3.43 112.91 117.16 3dhw h THR 274 Ca -0.35 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.21 3dhw h THR 274 Cb 1.19 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3dhw h THR 274 CO 0.56 0.29 0.00 0.61 0.37 0.00 0.00 175.52 177.34 3dhw n GLY 275 N -1.15 0.27 3.77 2.16 0.00 -1.26 -5.00 105.19 103.98 3dhw n GLY 275 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3dhw n GLY 275 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dhw s GLN 276 N 0.00 4.14 0.74 1.61 -0.21 -1.26 -4.99 119.66 119.70 3dhw s GLN 276 Ca 0.00 2.31 -0.12 0.00 0.02 0.00 0.00 55.36 57.57 3dhw s GLN 276 Cb 0.00 -2.93 0.04 0.00 1.00 0.00 0.00 33.01 31.12 3dhw s GLN 276 CO 0.00 -0.40 1.10 -1.12 -2.12 0.00 0.00 175.29 172.74 3dhw s SER 277 N -0.46 4.68 0.25 5.90 0.01 -1.26 -4.86 113.70 117.95 3dhw s SER 277 Ca 0.53 1.86 -0.06 0.00 1.31 0.00 0.00 55.95 59.59 3dhw s SER 277 Cb -0.41 -2.53 0.27 0.00 0.21 0.00 0.00 66.02 63.56 3dhw s SER 277 CO 0.55 -1.92 1.93 0.58 0.41 0.00 0.00 173.24 174.79 3dhw h VAL 278 N -0.82 1.26 0.00 3.43 2.07 -2.04 0.63 116.25 120.78 3dhw h VAL 278 Ca -0.44 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 66.60 3dhw h VAL 278 Cb 1.23 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3dhw h VAL 278 CO 0.52 0.25 0.00 0.47 0.02 0.00 0.00 177.57 178.83 3dhw n ASP 279 N -4.38 0.00 -4.02 0.57 8.00 -1.26 -3.93 116.55 111.53 3dhw n ASP 279 Ca 0.12 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.29 3dhw n ASP 279 Cb 0.02 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.02 3dhw n ASP 279 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dhw s ALA 280 N -1.85 3.89 -1.34 2.24 0.00 0.22 -4.98 121.76 119.95 3dhw s ALA 280 Ca 0.00 -3.69 -0.11 0.00 0.00 0.00 0.00 51.96 48.16 3dhw s ALA 280 Cb 0.00 -2.51 0.12 0.00 0.00 0.00 0.00 23.12 20.73 3dhw s ALA 280 CO 0.00 -2.11 1.98 -0.35 0.00 0.00 0.00 175.76 175.28 3dhw n PRO 281 N 2.48 3.34 -0.31 0.00 -0.04 -1.25 -4.82 135.00 134.39 3dhw n PRO 281 Ca 0.17 -3.21 -0.02 0.00 -0.04 0.00 0.00 63.50 60.39 3dhw n PRO 281 Cb 0.36 -3.07 0.13 0.00 -0.04 0.00 0.00 33.50 30.88 3dhw n PRO 281 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3dhw h LEU 282 N 8.79 1.06 -0.07 1.53 3.38 -1.93 -3.11 115.31 124.97 3dhw h LEU 282 Ca 0.45 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.36 3dhw h LEU 282 Cb 0.65 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3dhw h LEU 282 CO 1.70 0.82 0.04 -0.07 0.09 0.00 0.00 178.44 181.02 3dhw h LEU 283 N 1.22 0.09 -0.72 1.67 3.38 -1.99 -1.52 115.31 117.43 3dhw h LEU 283 Ca 0.32 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 3dhw h LEU 283 Cb -0.04 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3dhw h LEU 283 CO -0.06 0.11 0.28 0.28 0.09 0.00 0.00 178.44 179.14 3dhw h SER 284 N 0.06 1.00 -0.18 -0.43 0.02 -1.99 -0.50 113.55 111.53 3dhw h SER 284 Ca 0.03 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3dhw h SER 284 Cb 0.04 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 3dhw h SER 284 CO -0.00 0.90 0.12 -0.08 -1.14 0.00 0.00 176.83 176.62 3dhw h GLU 285 N 1.04 0.23 -0.08 3.45 4.57 -1.43 -0.76 114.58 121.60 3dhw h GLU 285 Ca 0.24 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.29 3dhw h GLU 285 Cb 0.22 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3dhw h GLU 285 CO -0.02 0.16 -0.48 1.79 -1.18 0.00 0.00 179.01 179.28 3dhw h THR 286 N 0.24 1.34 -0.23 0.32 1.35 -1.30 -2.38 112.91 112.25 3dhw h THR 286 Ca 0.06 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 3dhw h THR 286 Cb -0.02 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 3dhw h THR 286 CO -0.01 0.50 0.15 0.00 -0.25 0.00 0.00 175.52 175.90 3dhw h ALA 287 N 1.35 0.29 -0.01 6.62 0.00 -0.64 -1.52 119.26 125.34 3dhw h ALA 287 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dhw h ALA 287 Cb 0.91 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3dhw h ALA 287 CO 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.10 3dhw h ARG 288 N 0.30 0.01 -0.39 0.00 3.08 -0.86 -3.09 114.38 113.44 3dhw h ARG 288 Ca 0.08 -0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.98 3dhw h ARG 288 Cb -0.03 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3dhw h ARG 288 CO -0.02 0.11 -0.35 0.00 -1.07 0.00 0.00 179.97 178.64 3dhw h ARG 289 N -0.09 0.93 -0.09 0.04 3.08 -1.36 -3.35 114.38 113.54 3dhw h ARG 289 Ca 0.00 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3dhw h ARG 289 Cb 0.10 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3dhw h ARG 289 CO -0.00 1.13 0.00 1.19 -1.07 0.00 0.00 179.97 181.22 3dhw n PHE 290 N -4.09 0.08 -3.34 3.04 3.72 -0.58 -5.00 117.46 111.28 3dhw n PHE 290 Ca -0.02 -0.04 -0.18 0.00 -0.05 0.00 0.00 57.45 57.15 3dhw n PHE 290 Cb 0.53 -0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.13 3dhw n PHE 290 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3dhw n ASN 291 N 1.30 -6.05 -4.28 4.37 5.15 -1.17 -4.77 115.26 109.81 3dhw n ASN 291 Ca 0.14 -0.76 -0.16 0.00 -0.60 0.00 0.00 54.58 53.20 3dhw n ASN 291 Cb 0.57 -4.87 -0.10 0.00 -0.53 0.00 0.00 39.78 34.85 3dhw n ASN 291 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3dhw s VAL 292 N -3.41 1.36 -0.09 3.44 -7.23 -1.23 -4.72 120.40 108.53 3dhw s VAL 292 Ca 0.43 -2.10 0.04 0.00 -1.81 0.00 0.00 61.98 58.54 3dhw s VAL 292 Cb -0.07 -1.90 -0.01 0.00 0.56 0.00 0.00 36.38 34.96 3dhw s VAL 292 CO 0.76 -0.69 -0.21 0.20 -0.31 0.00 0.00 175.10 174.85 3dhw s ASN 293 N -3.19 3.36 -0.29 4.85 0.01 -1.07 -4.61 114.94 114.00 3dhw s ASN 293 Ca 0.18 -0.47 -0.11 0.00 -0.71 0.00 0.00 52.86 51.75 3dhw s ASN 293 Cb 0.01 -1.24 -0.05 0.00 0.41 0.00 0.00 41.25 40.39 3dhw s ASN 293 CO 0.03 0.20 0.19 0.20 -1.51 0.00 0.00 177.10 176.21 3dhw s ASN 294 N 0.11 6.02 -0.32 -1.22 0.01 -1.26 -1.58 114.94 116.69 3dhw s ASN 294 Ca -0.10 -0.06 -0.05 0.00 -0.71 0.00 0.00 52.86 51.94 3dhw s ASN 294 Cb -0.16 -2.12 0.04 0.00 0.41 0.00 0.00 41.25 39.42 3dhw s ASN 294 CO 0.06 -0.07 0.06 0.20 -1.51 0.00 0.00 177.10 175.84 3dhw s ASN 295 N 1.75 5.13 -0.41 -1.22 0.01 0.01 -5.00 114.94 115.21 3dhw s ASN 295 Ca 0.07 -1.14 -0.15 0.00 -0.71 0.00 0.00 52.86 50.93 3dhw s ASN 295 Cb -0.16 -1.81 0.02 0.00 0.41 0.00 0.00 41.25 39.71 3dhw s ASN 295 CO 0.11 -0.29 0.30 -0.63 -1.51 0.00 0.00 177.10 175.08 3dhw s ILE 296 N 1.36 5.25 0.07 0.60 1.01 -1.26 -0.08 121.20 128.15 3dhw s ILE 296 Ca -0.02 -0.67 -0.24 0.00 0.00 0.00 0.00 60.65 59.72 3dhw s ILE 296 Cb -0.19 -3.93 -0.16 0.00 0.01 0.00 0.00 42.46 38.19 3dhw s ILE 296 CO 0.01 -0.31 1.65 0.40 0.00 0.00 0.00 174.94 176.69 3dhw h ILE 297 N 5.64 1.06 -2.10 2.92 2.04 -1.45 -3.47 117.51 122.14 3dhw h ILE 297 Ca -0.27 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.33 3dhw h ILE 297 Cb 1.12 1.20 -0.18 0.00 -0.74 0.00 0.00 36.82 38.21 3dhw h ILE 297 CO 0.73 0.05 0.18 -0.94 0.00 0.00 0.00 178.15 178.18 3dhw s SER 298 N -5.27 -0.64 0.00 1.72 1.04 -0.39 -4.99 113.70 105.17 3dhw s SER 298 Ca -0.14 0.65 0.00 0.00 0.48 0.00 0.00 55.95 56.94 3dhw s SER 298 Cb 0.05 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3dhw s SER 298 CO 0.66 -0.64 0.00 0.00 0.98 0.00 0.00 173.24 174.25 3dhw n ALA 299 N 0.81 0.00 -2.86 5.32 0.00 -1.26 0.23 120.51 122.76 3dhw n ALA 299 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.12 3dhw n ALA 299 Cb 0.58 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.89 3dhw n ALA 299 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3dhw s GLN 300 N 0.00 0.20 -0.09 0.00 -0.21 -1.18 -4.99 119.66 113.38 3dhw s GLN 300 Ca 0.00 -0.20 0.03 0.00 0.02 0.00 0.00 55.36 55.21 3dhw s GLN 300 Cb 0.00 -0.12 -0.01 0.00 1.00 0.00 0.00 33.01 33.88 3dhw s GLN 300 CO 0.00 0.03 -0.18 -1.64 -2.12 0.00 0.00 175.29 171.38 3dhw s MET 301 N -0.37 2.98 0.36 2.91 -1.94 -1.26 -3.20 119.30 118.78 3dhw s MET 301 Ca -0.03 -0.77 0.04 0.00 -1.71 0.00 0.00 55.69 53.23 3dhw s MET 301 Cb -0.03 -2.42 -0.03 0.00 2.01 0.00 0.00 34.83 34.36 3dhw s MET 301 CO -0.00 0.32 0.17 0.34 -0.01 0.00 0.00 175.02 175.84 3dhw s ASP 302 N 0.03 2.17 -0.21 3.03 3.68 -0.65 -4.95 116.67 119.76 3dhw s ASP 302 Ca -0.06 -1.65 -0.05 0.00 2.13 0.00 0.00 52.55 52.92 3dhw s ASP 302 Cb -0.15 0.47 -0.02 0.00 -1.45 0.00 0.00 42.92 41.77 3dhw s ASP 302 CO 0.05 -0.94 -0.01 -0.31 0.13 0.00 0.00 175.17 174.09 3dhw s TYR 303 N -3.38 3.01 -0.12 -5.34 1.51 -1.26 -2.57 117.35 109.19 3dhw s TYR 303 Ca 0.31 -0.59 0.03 0.00 -1.01 0.00 0.00 57.07 55.82 3dhw s TYR 303 Cb 0.03 -2.09 0.00 0.00 -0.11 0.00 0.00 41.96 39.80 3dhw s TYR 303 CO 0.18 -0.33 -0.22 0.00 -1.11 0.00 0.00 175.55 174.07 3dhw s ALA 304 N 1.14 2.23 0.00 3.71 0.00 -0.95 -4.57 121.76 123.32 3dhw s ALA 304 Ca 0.02 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3dhw s ALA 304 Cb -0.14 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.05 3dhw s ALA 304 CO 0.01 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.29 3dhw n GLY 305 N 3.83 0.18 1.06 0.00 0.00 -1.26 -0.89 105.19 108.10 3dhw n GLY 305 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3dhw n GLY 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dhw n GLY 306 N -0.95 0.71 3.28 -0.02 0.00 -1.26 -4.82 105.19 102.13 3dhw n GLY 306 Ca 0.00 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 3dhw n GLY 306 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dhw s VAL 307 N -2.00 1.36 0.38 1.61 -7.23 -0.07 -5.06 120.40 109.39 3dhw s VAL 307 Ca 0.00 -2.09 -0.28 0.00 -1.81 0.00 0.00 61.98 57.80 3dhw s VAL 307 Cb 0.00 -1.89 -0.11 0.00 0.56 0.00 0.00 36.38 34.94 3dhw s VAL 307 CO 0.00 -0.68 1.49 -0.75 -0.31 0.00 0.00 175.10 174.85 3dhw s LYS 308 N -3.64 4.07 -0.01 4.82 2.20 -1.26 -2.24 119.74 123.67 3dhw s LYS 308 Ca 0.18 2.58 0.01 0.00 -0.36 0.00 0.00 55.97 58.38 3dhw s LYS 308 Cb 0.01 -2.94 0.01 0.00 -1.51 0.00 0.00 37.83 33.39 3dhw s LYS 308 CO 0.03 -0.57 -0.03 -0.06 -0.36 0.00 0.00 175.35 174.36 3dhw s PHE 309 N -1.13 0.34 -0.30 4.03 2.99 -1.06 -4.88 117.98 117.97 3dhw s PHE 309 Ca 0.53 -0.05 -0.13 0.00 0.00 0.00 0.00 56.93 57.28 3dhw s PHE 309 Cb -0.47 -0.28 0.14 0.00 0.00 0.00 0.00 43.02 42.42 3dhw s PHE 309 CO 0.63 -0.04 0.84 0.20 -0.00 0.00 0.00 175.22 176.85 3dhw s GLY 310 N 0.23 -0.41 -0.12 4.36 0.00 -1.26 -1.64 107.32 108.47 3dhw s GLY 310 Ca -0.02 2.75 0.03 0.00 0.00 0.00 0.00 44.72 47.47 3dhw s GLY 310 CO -0.00 3.05 -0.22 -0.42 0.00 0.00 0.00 173.10 175.50 3dhw s ILE 311 N 2.45 2.04 -0.11 0.90 1.01 -1.19 -1.93 121.20 124.36 3dhw s ILE 311 Ca -0.05 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.63 3dhw s ILE 311 Cb -0.08 -1.79 0.02 0.00 0.01 0.00 0.00 42.46 40.62 3dhw s ILE 311 CO -0.18 0.55 -0.13 -0.32 0.00 0.00 0.00 174.94 174.86 3dhw s MET 312 N 0.65 2.02 -0.19 2.79 1.75 -0.08 -3.12 119.30 123.13 3dhw s MET 312 Ca -0.11 -0.48 -0.08 0.00 -1.25 0.00 0.00 55.69 53.77 3dhw s MET 312 Cb -0.16 -1.78 -0.04 0.00 2.84 0.00 0.00 34.83 35.68 3dhw s MET 312 CO 0.02 -0.10 0.08 -0.51 -0.65 0.00 0.00 175.02 173.85 3dhw s LEU 313 N 1.12 3.92 0.21 4.11 1.43 0.62 -1.45 118.68 128.63 3dhw s LEU 313 Ca -0.05 0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 3dhw s LEU 313 Cb -0.14 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 3dhw s LEU 313 CO -0.03 0.17 0.39 0.28 0.23 0.00 0.00 176.35 177.39 3dhw s THR 314 N 0.38 0.02 -0.02 5.49 -1.32 -0.76 -1.10 115.64 118.35 3dhw s THR 314 Ca 0.04 -1.38 0.08 0.00 -1.21 0.00 0.00 61.69 59.23 3dhw s THR 314 Cb -0.12 -2.04 -0.02 0.00 -1.51 0.00 0.00 72.50 68.81 3dhw s THR 314 CO -0.00 -0.11 -0.26 -1.61 -2.21 0.00 0.00 174.62 170.43 3dhw s GLU 315 N -4.00 2.11 -0.12 7.08 2.02 0.89 -0.19 118.70 126.50 3dhw s GLU 315 Ca 0.21 -0.93 0.01 0.00 0.02 0.00 0.00 54.97 54.28 3dhw s GLU 315 Cb 0.01 -2.04 -0.01 0.00 0.10 0.00 0.00 34.13 32.19 3dhw s GLU 315 CO 0.05 0.56 -0.17 1.41 0.02 0.00 0.00 175.26 177.13 3dhw s MET 316 N -0.61 3.25 -0.09 1.61 -2.45 -1.16 -0.81 119.30 119.03 3dhw s MET 316 Ca 0.10 -0.76 -0.06 0.00 -1.25 0.00 0.00 55.69 53.72 3dhw s MET 316 Cb -0.10 -2.50 -0.04 0.00 1.25 0.00 0.00 34.83 33.44 3dhw s MET 316 CO -0.01 0.20 0.13 -1.01 1.05 0.00 0.00 175.02 175.39 3dhw s HIS 317 N 0.34 3.54 -5.00 4.11 3.76 -0.61 -4.25 115.29 117.18 3dhw s HIS 317 Ca -0.14 0.46 0.00 0.00 -0.15 0.00 0.00 55.06 55.23 3dhw s HIS 317 Cb -0.17 -1.90 0.00 0.00 1.11 0.00 0.00 32.58 31.62 3dhw s HIS 317 CO 0.07 0.69 0.00 0.41 -0.85 0.00 0.00 174.74 175.06 3dhw n GLY 318 N 1.78 -0.36 3.40 -2.22 0.00 -1.26 -2.60 105.19 103.92 3dhw n GLY 318 Ca -0.18 -0.87 -0.27 0.00 0.00 0.00 0.00 46.02 44.70 3dhw n GLY 318 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dhw s THR 319 N -3.99 2.24 0.22 2.61 -4.23 -1.26 -5.08 115.64 106.15 3dhw s THR 319 Ca 0.00 -1.89 -0.08 0.00 -1.18 0.00 0.00 61.69 58.54 3dhw s THR 319 Cb 0.00 -2.02 0.19 0.00 1.34 0.00 0.00 72.50 72.01 3dhw s THR 319 CO 0.00 -0.05 1.88 1.56 -0.54 0.00 0.00 174.62 177.47 3dhw h GLN 320 N 3.52 1.14 -0.43 3.99 4.20 -2.00 -2.42 115.11 123.11 3dhw h GLN 320 Ca -0.48 -0.10 -0.14 0.00 0.06 0.00 0.00 58.65 57.99 3dhw h GLN 320 Cb 1.19 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 3dhw h GLN 320 CO 0.44 0.79 -0.29 1.96 -0.67 0.00 0.00 178.83 181.06 3dhw h GLN 321 N 1.16 0.94 -0.50 1.46 4.20 -2.01 -1.86 115.11 118.50 3dhw h GLN 321 Ca 0.31 -0.44 -0.12 0.00 0.06 0.00 0.00 58.65 58.45 3dhw h GLN 321 Cb -0.07 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3dhw h GLN 321 CO -0.06 1.10 -0.16 -0.44 -0.67 0.00 0.00 178.83 178.61 3dhw h ASP 322 N 0.79 1.01 -0.17 1.46 3.32 -1.90 -3.35 116.42 117.58 3dhw h ASP 322 Ca 0.09 -0.37 -0.15 0.00 0.02 0.00 0.00 57.03 56.61 3dhw h ASP 322 Cb 0.87 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 3dhw h ASP 322 CO 0.08 1.15 -0.43 0.71 -1.72 0.00 0.00 179.24 179.03 3dhw h THR 323 N 0.86 1.29 -0.90 0.35 1.35 -1.29 -3.12 112.91 111.45 3dhw h THR 323 Ca 0.12 -1.62 -0.00 0.00 -0.55 0.00 0.00 66.41 64.36 3dhw h THR 323 Cb 0.73 1.53 -0.04 0.00 -1.73 0.00 0.00 68.15 68.64 3dhw h THR 323 CO 0.06 0.52 0.56 1.56 -0.25 0.00 0.00 175.52 177.97 3dhw h GLN 324 N 0.58 1.21 -0.73 4.72 4.20 -1.47 -1.25 115.11 122.37 3dhw h GLN 324 Ca 0.04 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.66 3dhw h GLN 324 Cb 0.98 -0.26 -0.04 0.00 0.30 0.00 0.00 27.48 28.47 3dhw h GLN 324 CO 0.09 0.83 0.49 0.00 -0.67 0.00 0.00 178.83 179.57 3dhw h ALA 325 N 1.38 1.48 -0.19 3.87 0.00 -1.69 -2.17 119.26 121.94 3dhw h ALA 325 Ca 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3dhw h ALA 325 Cb -0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3dhw h ALA 325 CO -0.06 0.48 0.13 0.00 0.00 0.00 0.00 179.25 179.79 3dhw h ALA 326 N 1.54 0.24 -0.27 0.00 0.00 -1.16 2.31 119.26 121.93 3dhw h ALA 326 Ca 0.27 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 3dhw h ALA 326 Cb -0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3dhw h ALA 326 CO -0.06 -0.28 -0.39 -0.84 0.00 0.00 0.00 179.25 177.68 3dhw h ILE 327 N 0.26 1.29 -0.40 0.00 3.07 -1.52 -2.41 117.51 117.80 3dhw h ILE 327 Ca 0.07 -1.56 -0.14 0.00 1.55 0.00 0.00 64.86 64.78 3dhw h ILE 327 Cb -0.03 1.51 -0.01 0.00 -0.27 0.00 0.00 36.82 38.02 3dhw h ILE 327 CO -0.02 0.50 -0.31 0.00 -1.05 0.00 0.00 178.15 177.27 3dhw h ALA 328 N 1.04 0.58 -0.68 0.16 0.00 -1.09 -2.75 119.26 116.51 3dhw h ALA 328 Ca 0.05 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 3dhw h ALA 328 Cb 0.91 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3dhw h ALA 328 CO 0.08 0.63 0.15 2.35 0.00 0.00 0.00 179.25 182.46 3dhw h TRP 329 N 0.74 1.17 -0.76 0.00 7.01 0.39 -3.17 115.95 121.34 3dhw h TRP 329 Ca 0.08 -0.15 -0.06 0.00 2.11 0.00 0.00 58.89 60.87 3dhw h TRP 329 Cb 0.90 -0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 27.60 3dhw h TRP 329 CO 0.06 0.96 0.25 -0.07 -2.79 0.00 0.00 178.44 176.85 3dhw h LEU 330 N 1.04 1.09 -1.08 0.65 3.38 -1.45 -3.00 115.31 115.94 3dhw h LEU 330 Ca 0.21 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3dhw h LEU 330 Cb 0.39 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3dhw h LEU 330 CO 0.01 0.99 0.56 -0.61 0.09 0.00 0.00 178.44 179.48 3dhw h GLN 331 N 1.12 1.18 -0.99 1.13 4.15 -1.49 0.14 115.11 120.36 3dhw h GLN 331 Ca 0.25 -0.09 0.02 0.00 0.77 0.00 0.00 58.65 59.60 3dhw h GLN 331 Cb 0.28 -0.26 -0.05 0.00 0.21 0.00 0.00 27.48 27.66 3dhw h GLN 331 CO -0.01 0.81 0.66 0.93 -1.93 0.00 0.00 178.83 179.28 3dhw h GLU 332 N 1.21 1.26 -0.85 1.69 5.08 -1.50 -1.01 114.58 120.47 3dhw h GLU 332 Ca 0.32 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.49 3dhw h GLU 332 Cb -0.09 -0.29 -0.07 0.00 0.50 0.00 0.00 28.75 28.80 3dhw h GLU 332 CO -0.06 0.84 0.15 0.72 -1.00 0.00 0.00 179.01 179.65 3dhw n HIS 333 N -4.41 1.46 -3.58 4.33 8.25 0.43 -4.95 115.22 116.75 3dhw n HIS 333 Ca 0.13 -0.76 -0.23 0.00 -0.26 0.00 0.00 57.72 56.59 3dhw n HIS 333 Cb 0.05 -0.47 0.08 0.00 1.12 0.00 0.00 29.99 30.78 3dhw n HIS 333 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3dhw n HIS 334 N 0.05 -2.81 -4.70 4.41 8.25 -0.38 -4.82 115.22 115.22 3dhw n HIS 334 Ca 0.24 1.01 -0.33 0.00 -0.26 0.00 0.00 57.72 58.38 3dhw n HIS 334 Cb 0.96 -5.04 -0.14 0.00 1.12 0.00 0.00 29.99 26.89 3dhw n HIS 334 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3dhw s VAL 335 N -3.33 3.18 0.36 1.59 1.01 -0.83 -1.41 120.40 120.97 3dhw s VAL 335 Ca 0.52 -0.61 -0.28 0.00 0.00 0.00 0.00 61.98 61.60 3dhw s VAL 335 Cb -0.23 -2.35 -0.11 0.00 0.00 0.00 0.00 36.38 33.69 3dhw s VAL 335 CO 0.73 0.52 1.42 -0.54 0.00 0.00 0.00 175.10 177.23 3dhw s LYS 336 N 0.37 4.21 -0.22 2.72 -0.14 -0.63 -3.90 119.74 122.15 3dhw s LYS 336 Ca -0.10 2.43 -0.04 0.00 -1.36 0.00 0.00 55.97 56.90 3dhw s LYS 336 Cb -0.16 -3.01 -0.01 0.00 -1.68 0.00 0.00 37.83 32.97 3dhw s LYS 336 CO 0.05 -0.40 -0.03 0.08 -0.76 0.00 0.00 175.35 174.29 3dhw s VAL 337 N -1.10 3.45 -0.20 3.17 1.01 -1.26 -4.45 120.40 121.03 3dhw s VAL 337 Ca 0.51 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.95 3dhw s VAL 337 Cb -0.44 -2.57 0.09 0.00 0.00 0.00 0.00 36.38 33.46 3dhw s VAL 337 CO 0.59 0.41 0.42 -0.70 0.00 0.00 0.00 175.10 175.82 3dhw s GLU 338 N 1.49 0.33 -0.39 2.72 2.12 -1.25 -5.07 118.70 118.66 3dhw s GLU 338 Ca 0.06 1.02 -0.13 0.00 0.36 0.00 0.00 54.97 56.29 3dhw s GLU 338 Cb -0.14 0.31 0.03 0.00 0.26 0.00 0.00 34.13 34.58 3dhw s GLU 338 CO -0.03 -0.24 0.25 0.08 -0.54 0.00 0.00 175.26 174.77 3dhw s VAL 339 N 2.52 4.83 0.14 3.70 1.01 -1.26 -1.73 120.40 129.62 3dhw s VAL 339 Ca -0.02 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 3dhw s VAL 339 Cb -0.12 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 3dhw s VAL 339 CO -0.13 -0.28 1.48 -0.07 0.00 0.00 0.00 175.10 176.10 3dhw h LEU 340 N 8.51 1.00 0.00 3.92 3.38 -1.82 -3.49 115.31 126.81 3dhw h LEU 340 Ca -0.26 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.25 3dhw h LEU 340 Cb 1.11 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3dhw h LEU 340 CO 0.70 1.25 0.00 0.61 0.09 0.00 0.00 178.44 181.09 3dhw n GLY 341 N 0.12 -1.51 3.31 0.83 0.00 -1.20 -4.79 105.19 101.95 3dhw n GLY 341 Ca -0.02 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 3dhw n GLY 341 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dhw s TYR 342 N -2.63 2.33 -2.00 1.61 1.51 -0.78 -1.09 117.35 116.31 3dhw s TYR 342 Ca 0.00 -0.44 0.15 0.00 -1.01 0.00 0.00 57.07 55.77 3dhw s TYR 342 Cb 0.00 -1.50 0.92 0.00 -0.11 0.00 0.00 41.96 41.26 3dhw s TYR 342 CO 0.00 -0.04 1.33 0.28 -1.11 0.00 0.00 175.55 176.01