#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 1.00 -0.03 2.02 -1.16 -1.06 -3.12 121.20 118.86 3dhw s ILE 2 Ca 0.00 -0.40 0.01 0.00 -0.51 0.00 0.00 60.65 59.75 3dhw s ILE 2 Cb 0.00 -0.93 0.02 0.00 0.61 0.00 0.00 42.46 42.16 3dhw s ILE 2 CO 0.00 0.33 -0.03 -0.75 -2.81 0.00 0.00 174.94 171.68 3dhw s LYS 3 N 0.72 0.55 -0.23 3.50 2.20 -0.96 -0.85 119.74 124.67 3dhw s LYS 3 Ca -0.14 -0.04 -0.12 0.00 -0.36 0.00 0.00 55.97 55.31 3dhw s LYS 3 Cb -0.15 -0.62 -0.05 0.00 -1.51 0.00 0.00 37.83 35.49 3dhw s LYS 3 CO 0.03 -0.07 0.21 -0.51 -0.36 0.00 0.00 175.35 174.65 3dhw s LEU 4 N 0.80 4.13 -0.28 5.43 1.43 0.26 -2.52 118.68 127.92 3dhw s LEU 4 Ca -0.09 0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 53.10 3dhw s LEU 4 Cb -0.12 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 3dhw s LEU 4 CO -0.01 0.04 0.19 -0.44 0.23 0.00 0.00 176.35 176.36 3dhw s SER 5 N 1.02 5.99 0.00 2.29 0.01 -0.80 0.18 113.70 122.39 3dhw s SER 5 Ca 0.10 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.34 3dhw s SER 5 Cb -0.14 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 63.98 3dhw s SER 5 CO 0.05 -0.05 0.00 0.59 0.41 0.00 0.00 173.24 174.24 3dhw n ASN 6 N 5.05 0.00 -4.15 2.44 3.02 -1.25 -3.00 115.26 117.36 3dhw n ASN 6 Ca -0.14 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.08 3dhw n ASN 6 Cb 0.52 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.53 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 0.00 2.11 -0.10 2.41 -1.09 -0.85 -3.92 121.20 119.76 3dhw s ILE 7 Ca 0.00 -0.94 0.04 0.00 -2.23 0.00 0.00 60.65 57.51 3dhw s ILE 7 Cb 0.00 -1.86 0.00 0.00 -1.58 0.00 0.00 42.46 39.02 3dhw s ILE 7 CO 0.00 0.54 -0.24 -0.89 -1.23 0.00 0.00 174.94 173.13 3dhw s THR 8 N 1.04 2.03 -0.08 2.92 2.01 -1.18 -2.35 115.64 120.04 3dhw s THR 8 Ca -0.01 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 61.01 3dhw s THR 8 Cb -0.14 -1.76 0.01 0.00 0.01 0.00 0.00 72.50 70.62 3dhw s THR 8 CO -0.07 0.55 -0.16 -0.75 -0.69 0.00 0.00 174.62 173.51 3dhw s LYS 9 N 0.35 2.10 -0.04 4.92 2.20 0.37 -2.00 119.74 127.64 3dhw s LYS 9 Ca -0.19 -0.55 -0.04 0.00 -0.36 0.00 0.00 55.97 54.83 3dhw s LYS 9 Cb -0.18 -1.67 0.01 0.00 -1.51 0.00 0.00 37.83 34.48 3dhw s LYS 9 CO 0.09 0.07 0.12 0.54 -0.36 0.00 0.00 175.35 175.81 3dhw s VAL 10 N 0.57 0.01 -0.02 4.02 0.11 -1.26 -2.81 120.40 121.01 3dhw s VAL 10 Ca -0.16 -0.07 0.03 0.00 -2.93 0.00 0.00 61.98 58.86 3dhw s VAL 10 Cb -0.16 -0.20 -0.03 0.00 -1.53 0.00 0.00 36.38 34.46 3dhw s VAL 10 CO 0.05 -0.04 -0.11 0.12 -3.33 0.00 0.00 175.10 171.79 3dhw s PHE 11 N -0.07 2.78 -0.52 1.54 5.36 -1.26 -4.57 117.98 121.24 3dhw s PHE 11 Ca -0.01 -0.10 -0.16 0.00 -0.96 0.00 0.00 56.93 55.70 3dhw s PHE 11 Cb -0.02 -1.61 0.11 0.00 -0.34 0.00 0.00 43.02 41.16 3dhw s PHE 11 CO 0.00 0.28 0.48 -1.58 -1.46 0.00 0.00 175.22 172.94 3dhw s HIS 12 N -0.86 3.24 0.21 10.12 5.65 -1.26 -4.43 115.29 127.96 3dhw s HIS 12 Ca 0.14 -1.17 -0.08 0.00 0.25 0.00 0.00 55.06 54.20 3dhw s HIS 12 Cb -0.11 -3.62 0.14 0.00 -1.18 0.00 0.00 32.58 27.81 3dhw s HIS 12 CO 0.04 -0.96 1.75 1.96 -0.65 0.00 0.00 174.74 176.87 3dhw h GLN 13 N 8.86 1.18 0.00 2.88 1.08 -1.94 -3.48 115.11 123.69 3dhw h GLN 13 Ca -0.30 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 56.66 3dhw h GLN 13 Cb 1.10 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.36 3dhw h GLN 13 CO 0.99 0.99 0.00 0.41 -0.95 0.00 0.00 178.83 180.27 3dhw n GLY 14 N -0.78 3.51 0.04 3.46 0.00 -1.26 -4.76 105.19 105.39 3dhw n GLY 14 Ca 0.06 -0.95 0.11 0.00 0.00 0.00 0.00 46.02 45.25 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 0.17 -4.64 2.61 -2.24 -1.26 -4.93 114.28 103.98 3dhw n THR 15 Ca 0.00 -0.41 -0.26 0.00 -2.27 0.00 0.00 64.05 61.11 3dhw n THR 15 Cb 0.00 0.06 -0.17 0.00 -2.10 0.00 0.00 70.33 68.12 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 -3.38 1.90 -0.10 -0.78 1.81 -1.26 -5.12 118.95 112.02 3dhw s ARG 16 Ca -0.03 -0.48 0.04 0.00 -1.72 0.00 0.00 55.73 53.54 3dhw s ARG 16 Cb 0.13 -1.55 0.00 0.00 -0.45 0.00 0.00 34.95 33.08 3dhw s ARG 16 CO 0.86 0.03 -0.24 0.99 -0.68 0.00 0.00 175.30 176.27 3dhw s THR 17 N 0.67 2.09 -0.01 0.02 2.01 -1.26 -2.65 115.64 116.51 3dhw s THR 17 Ca -0.14 -1.01 0.04 0.00 0.31 0.00 0.00 61.69 60.89 3dhw s THR 17 Cb -0.16 -1.80 -0.01 0.00 0.01 0.00 0.00 72.50 70.54 3dhw s THR 17 CO 0.04 0.56 -0.13 -0.51 -0.69 0.00 0.00 174.62 173.89 3dhw s ILE 18 N 0.36 1.03 -0.23 1.82 1.10 -1.26 -5.09 121.20 118.93 3dhw s ILE 18 Ca -0.18 -0.56 -0.24 0.00 -0.51 0.00 0.00 60.65 59.17 3dhw s ILE 18 Cb -0.18 -0.86 -0.01 0.00 0.15 0.00 0.00 42.46 41.56 3dhw s ILE 18 CO 0.08 0.29 0.78 -1.10 -2.11 0.00 0.00 174.94 172.88 3dhw s GLN 19 N -0.30 4.19 0.00 3.50 -1.52 -1.26 -4.48 119.66 119.79 3dhw s GLN 19 Ca 0.05 0.86 0.00 0.00 -1.95 0.00 0.00 55.36 54.32 3dhw s GLN 19 Cb -0.05 -3.63 0.00 0.00 -0.22 0.00 0.00 33.01 29.11 3dhw s GLN 19 CO -0.00 -0.44 0.00 0.00 -0.25 0.00 0.00 175.29 174.59 3dhw n ALA 20 N 5.74 0.53 -2.79 6.09 0.00 -1.12 -4.96 120.51 123.99 3dhw n ALA 20 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.12 3dhw n ALA 20 Cb 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.85 3dhw n ALA 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dhw s LEU 21 N -0.01 3.97 -0.23 0.00 1.43 -1.16 -3.67 118.68 119.00 3dhw s LEU 21 Ca 0.00 0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 53.33 3dhw s LEU 21 Cb 0.00 -1.96 0.07 0.00 0.03 0.00 0.00 46.19 44.33 3dhw s LEU 21 CO 0.00 0.33 0.07 0.20 0.23 0.00 0.00 176.35 177.18 3dhw s ASN 22 N -0.58 3.20 -1.42 2.29 -0.87 -0.72 0.14 114.94 116.97 3dhw s ASN 22 Ca 0.11 -1.05 -0.03 0.00 -1.57 0.00 0.00 52.86 50.32 3dhw s ASN 22 Cb -0.12 -0.58 0.02 0.00 -0.02 0.00 0.00 41.25 40.55 3dhw s ASN 22 CO 0.02 -0.35 0.57 0.59 -2.57 0.00 0.00 177.10 175.36 3dhw n ASN 23 N 5.06 -1.20 -4.50 -1.22 3.02 -0.99 -4.35 115.26 111.08 3dhw n ASN 23 Ca -0.07 -0.94 -0.34 0.00 -0.03 0.00 0.00 54.58 53.20 3dhw n ASN 23 Cb 0.45 -3.33 -0.12 0.00 -0.61 0.00 0.00 39.78 36.17 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 -3.77 3.75 -0.01 2.41 -7.23 -1.15 -4.80 120.40 109.61 3dhw s VAL 24 Ca 0.14 -0.42 0.05 0.00 -1.81 0.00 0.00 61.98 59.94 3dhw s VAL 24 Cb -0.07 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.24 3dhw s VAL 24 CO 0.87 0.52 -0.17 -0.44 -0.31 0.00 0.00 175.10 175.57 3dhw s SER 25 N 0.08 2.05 -0.05 4.85 0.01 -1.26 -2.00 113.70 117.39 3dhw s SER 25 Ca -0.01 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 56.95 3dhw s SER 25 Cb -0.14 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.87 3dhw s SER 25 CO 0.03 0.21 -0.13 -0.22 0.41 0.00 0.00 173.24 173.53 3dhw s LEU 26 N -0.45 1.79 -0.36 2.44 2.96 0.13 -4.85 118.68 120.33 3dhw s LEU 26 Ca 0.07 -0.29 -0.09 0.00 -0.22 0.00 0.00 54.13 53.59 3dhw s LEU 26 Cb -0.07 -0.82 0.04 0.00 0.50 0.00 0.00 46.19 45.84 3dhw s LEU 26 CO -0.01 0.09 0.17 -2.28 -1.32 0.00 0.00 176.35 173.01 3dhw s HIS 27 N 0.28 3.25 -0.26 5.38 5.65 -1.26 0.91 115.29 129.24 3dhw s HIS 27 Ca -0.07 -1.17 0.03 0.00 0.25 0.00 0.00 55.06 54.10 3dhw s HIS 27 Cb -0.12 -2.41 0.06 0.00 -1.18 0.00 0.00 32.58 28.93 3dhw s HIS 27 CO 0.02 -0.69 -0.11 0.08 -0.65 0.00 0.00 174.74 173.39 3dhw s VAL 28 N 1.49 2.17 0.18 0.89 1.01 -0.03 -5.03 120.40 121.08 3dhw s VAL 28 Ca 0.01 -1.63 -0.30 0.00 0.00 0.00 0.00 61.98 60.05 3dhw s VAL 28 Cb -0.19 -2.27 -0.08 0.00 0.00 0.00 0.00 36.38 33.83 3dhw s VAL 28 CO 0.05 -0.02 1.29 -2.16 0.00 0.00 0.00 175.10 174.26 3dhw s PRO 29 N 1.10 4.40 0.49 2.72 0.04 -1.26 -2.55 135.00 139.95 3dhw s PRO 29 Ca -0.09 2.01 -0.22 0.00 0.04 0.00 0.00 61.00 62.74 3dhw s PRO 29 Cb -0.20 -3.21 -0.08 0.00 0.04 0.00 0.00 34.50 31.05 3dhw s PRO 29 CO -0.05 -0.24 1.11 0.00 0.04 0.00 0.00 177.00 177.86 3dhw n ALA 30 N 2.77 0.68 -0.94 8.56 0.00 -1.26 -2.32 120.51 127.99 3dhw n ALA 30 Ca 0.06 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3dhw n ALA 30 Cb 0.43 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.70 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 1.06 0.43 3.05 0.00 0.00 -1.26 -4.82 105.19 103.64 3dhw n GLY 31 Ca 0.10 -1.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.89 0.50 -0.41 1.61 -0.21 -0.98 -4.88 119.66 113.40 3dhw s GLN 32 Ca 0.00 -0.98 -0.16 0.00 0.02 0.00 0.00 55.36 54.24 3dhw s GLN 32 Cb 0.00 0.16 0.02 0.00 1.00 0.00 0.00 33.01 34.18 3dhw s GLN 32 CO 0.00 -0.08 0.35 0.42 -2.12 0.00 0.00 175.29 173.86 3dhw s ILE 33 N -2.93 5.19 -0.23 1.08 1.01 -1.26 -2.07 121.20 121.99 3dhw s ILE 33 Ca -0.02 -0.49 -0.10 0.00 0.00 0.00 0.00 60.65 60.04 3dhw s ILE 33 Cb 0.01 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 3dhw s ILE 33 CO -0.06 -0.33 0.16 -0.47 0.00 0.00 0.00 174.94 174.24 3dhw s TYR 34 N 1.87 3.33 -0.21 3.97 6.14 -0.64 0.15 117.35 131.95 3dhw s TYR 34 Ca 0.08 0.24 -0.04 0.00 0.64 0.00 0.00 57.07 57.99 3dhw s TYR 34 Cb -0.18 -2.25 -0.01 0.00 0.42 0.00 0.00 41.96 39.93 3dhw s TYR 34 CO 0.11 0.09 -0.04 0.20 0.64 0.00 0.00 175.55 176.56 3dhw s GLY 35 N 0.97 1.63 -0.36 8.97 0.00 0.19 -0.42 107.32 118.30 3dhw s GLY 35 Ca 0.08 -1.12 -0.14 0.00 0.00 0.00 0.00 44.72 43.53 3dhw s GLY 35 CO 0.04 0.37 0.28 0.14 0.00 0.00 0.00 173.10 173.93 3dhw s VAL 36 N 1.35 5.25 -0.18 1.40 1.01 0.99 -1.00 120.40 129.22 3dhw s VAL 36 Ca 0.04 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.77 3dhw s VAL 36 Cb -0.14 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.46 3dhw s VAL 36 CO -0.02 -0.10 -0.20 -0.51 0.00 0.00 0.00 175.10 174.27 3dhw s ILE 37 N 1.79 2.07 -0.00 2.22 -1.16 0.10 -0.80 121.20 125.42 3dhw s ILE 37 Ca 0.07 -0.94 0.02 0.00 -0.51 0.00 0.00 60.65 59.30 3dhw s ILE 37 Cb -0.18 -1.86 -0.01 0.00 0.61 0.00 0.00 42.46 41.02 3dhw s ILE 37 CO 0.11 0.54 -0.08 -0.83 -2.81 0.00 0.00 174.94 171.87 3dhw s GLY 38 N 1.28 0.38 1.08 1.50 0.00 -1.23 -3.13 107.32 107.20 3dhw s GLY 38 Ca 0.05 -0.36 -0.15 0.00 0.00 0.00 0.00 44.72 44.26 3dhw s GLY 38 CO -0.13 -0.31 0.44 0.00 0.00 0.00 0.00 173.10 173.10 3dhw n ALA 39 N 2.78 -1.25 -1.72 3.20 0.00 -1.26 -4.61 120.51 117.64 3dhw n ALA 39 Ca -0.14 -1.16 -0.43 0.00 0.00 0.00 0.00 53.44 51.72 3dhw n ALA 39 Cb 0.57 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 19.04 3dhw n ALA 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3dhw n SER 40 N -2.00 3.48 -1.12 0.00 7.64 -1.26 -2.13 113.62 118.23 3dhw n SER 40 Ca 0.07 1.15 -0.12 0.00 1.01 0.00 0.00 58.87 60.98 3dhw n SER 40 Cb 0.38 -1.54 -0.04 0.00 -1.01 0.00 0.00 64.21 62.00 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 2.01 0.84 0.35 0.23 0.00 -1.26 -4.91 105.19 102.45 3dhw n GLY 41 Ca 0.09 -0.42 -0.05 0.00 0.00 0.00 0.00 46.02 45.65 3dhw n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dhw h ALA 42 N 0.20 1.12 0.00 4.61 0.00 -1.71 -3.46 119.26 120.02 3dhw h ALA 42 Ca -0.27 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3dhw h ALA 42 Cb 0.95 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3dhw h ALA 42 CO 0.37 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.70 3dhw n GLY 43 N -1.03 0.74 0.31 0.00 0.00 -1.26 -2.72 105.19 101.23 3dhw n GLY 43 Ca 0.09 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.31 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 2.20 0.00 -0.88 1.61 2.10 -1.91 0.14 116.57 119.83 3dhw h LYS 44 Ca 0.00 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.67 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 0.58 0.77 -2.00 0.00 0.00 179.45 178.80 3dhw h SER 45 N 0.00 0.99 0.75 7.07 0.02 -1.96 -3.02 113.55 117.40 3dhw h SER 45 Ca 0.00 -0.02 -0.25 0.00 -0.84 0.00 0.00 61.79 60.68 3dhw h SER 45 Cb 0.21 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 3dhw h SER 45 CO 0.00 0.71 -1.35 0.74 -1.14 0.00 0.00 176.83 175.78 3dhw h THR 46 N 1.17 1.29 -0.14 -2.27 2.02 -1.13 -3.43 112.91 110.41 3dhw h THR 46 Ca 0.33 -3.07 0.00 0.00 0.77 0.00 0.00 66.41 64.45 3dhw h THR 46 Cb -0.10 2.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 3dhw h THR 46 CO -0.08 0.73 0.08 0.25 0.37 0.00 0.00 175.52 176.87 3dhw h LEU 47 N 0.00 0.14 -0.98 2.58 5.85 -1.38 -3.21 115.31 118.31 3dhw h LEU 47 Ca -0.15 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 3dhw h LEU 47 Cb 1.89 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.85 3dhw h LEU 47 CO 0.11 0.10 0.52 0.16 -0.34 0.00 0.00 178.44 178.99 3dhw h ILE 48 N 0.17 1.25 0.00 4.05 -2.65 -1.84 -0.85 117.51 117.64 3dhw h ILE 48 Ca 0.05 -0.58 -0.00 0.00 1.03 0.00 0.00 64.86 65.37 3dhw h ILE 48 Cb -0.01 0.00 -0.00 0.00 -2.05 0.00 0.00 36.82 34.76 3dhw h ILE 48 CO -0.02 0.27 -0.00 0.03 0.03 0.00 0.00 178.15 178.46 3dhw h ARG 49 N 1.25 0.00 -0.62 0.16 3.08 -1.87 1.17 114.38 117.55 3dhw h ARG 49 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 3dhw h ARG 49 Cb -0.02 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3dhw h ARG 49 CO -0.06 0.00 0.38 0.00 -1.07 0.00 0.00 179.97 179.23 3dhw h VAL 51 N 0.84 1.16 -0.72 0.00 2.07 0.15 -0.18 116.25 119.57 3dhw h VAL 51 Ca 0.22 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3dhw h VAL 51 Cb -0.06 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 3dhw h VAL 51 CO -0.04 0.16 0.00 -0.46 0.02 0.00 0.00 177.57 177.25 3dhw n ASN 52 N -4.65 3.95 -2.07 0.57 6.94 -1.22 -4.95 115.26 113.84 3dhw n ASN 52 Ca 0.04 -2.00 -0.14 0.00 -0.02 0.00 0.00 54.58 52.46 3dhw n ASN 52 Cb 0.03 -0.48 0.03 0.00 -2.36 0.00 0.00 39.78 37.00 3dhw n ASN 52 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 3dhw n LEU 53 N 1.66 -2.44 -0.12 -4.53 7.94 -0.08 -4.95 117.00 114.47 3dhw n LEU 53 Ca 0.24 -0.22 -0.13 0.00 -1.11 0.00 0.00 56.01 54.79 3dhw n LEU 53 Cb 0.63 -2.01 -0.02 0.00 0.53 0.00 0.00 43.42 42.55 3dhw n LEU 53 CO 0.17 0.23 0.56 -0.07 -1.11 0.00 0.00 177.39 177.17 3dhw h LEU 54 N -1.11 1.01 -8.46 -1.96 3.38 0.45 -3.40 115.31 105.22 3dhw h LEU 54 Ca -0.33 -0.46 -0.67 0.00 0.09 0.00 0.00 57.88 56.51 3dhw h LEU 54 Cb 1.22 -0.28 -0.30 0.00 0.09 0.00 0.00 40.66 41.38 3dhw h LEU 54 CO 0.34 1.26 -0.83 -1.61 0.09 0.00 0.00 178.44 177.69 3dhw s GLU 55 N -4.43 3.20 0.11 1.13 2.02 -1.08 -4.99 118.70 114.66 3dhw s GLU 55 Ca -0.11 -0.80 -0.31 0.00 0.02 0.00 0.00 54.97 53.77 3dhw s GLU 55 Cb 0.11 -2.44 -0.07 0.00 0.10 0.00 0.00 34.13 31.82 3dhw s GLU 55 CO 0.88 0.19 1.35 1.03 0.02 0.00 0.00 175.26 178.74 3dhw s ARG 56 N 0.35 4.34 0.24 1.61 0.52 -1.26 -3.89 118.95 120.85 3dhw s ARG 56 Ca -0.15 2.01 -0.18 0.00 -0.52 0.00 0.00 55.73 56.89 3dhw s ARG 56 Cb -0.17 -3.27 -0.08 0.00 0.52 0.00 0.00 34.95 31.95 3dhw s ARG 56 CO 0.08 -0.40 0.71 -1.25 0.02 0.00 0.00 175.30 174.45 3dhw s PRO 57 N 1.08 4.16 0.09 3.54 0.04 -1.26 -4.89 135.00 137.76 3dhw s PRO 57 Ca 0.63 0.78 -0.22 0.00 0.04 0.00 0.00 61.00 62.23 3dhw s PRO 57 Cb -0.35 -2.78 -0.13 0.00 0.04 0.00 0.00 34.50 31.27 3dhw s PRO 57 CO 0.30 0.35 1.69 1.15 0.04 0.00 0.00 177.00 180.53 3dhw h THR 58 N 2.56 1.06 -4.20 1.26 2.02 -1.76 -3.47 112.91 110.39 3dhw h THR 58 Ca -0.48 -0.16 -0.12 0.00 0.77 0.00 0.00 66.41 66.42 3dhw h THR 58 Cb 1.19 1.07 -0.15 0.00 -1.74 0.00 0.00 68.15 68.52 3dhw h THR 58 CO 0.65 0.05 -0.66 -1.61 0.37 0.00 0.00 175.52 174.33 3dhw s GLU 59 N -5.96 0.62 0.00 6.66 2.02 -0.85 -5.02 118.70 116.17 3dhw s GLU 59 Ca -0.13 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 53.68 3dhw s GLU 59 Cb 0.06 0.22 0.00 0.00 0.10 0.00 0.00 34.13 34.51 3dhw s GLU 59 CO 0.67 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 176.24 3dhw n GLY 60 N 0.15 0.77 3.22 -1.39 0.00 -1.25 -3.13 105.19 103.55 3dhw n GLY 60 Ca -0.14 -2.15 -0.32 0.00 0.00 0.00 0.00 46.02 43.41 3dhw n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dhw s SER 61 N 0.00 3.11 -0.16 1.61 0.01 -1.16 -5.02 113.70 112.09 3dhw s SER 61 Ca 0.00 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 56.71 3dhw s SER 61 Cb 0.00 -1.41 0.00 0.00 0.21 0.00 0.00 66.02 64.82 3dhw s SER 61 CO 0.00 0.16 -0.17 -0.69 0.41 0.00 0.00 173.24 172.95 3dhw s VAL 62 N 0.34 2.47 -0.22 3.43 1.01 -1.26 -1.90 120.40 124.26 3dhw s VAL 62 Ca -0.19 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 60.97 3dhw s VAL 62 Cb -0.18 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.19 3dhw s VAL 62 CO 0.09 0.52 -0.13 -0.22 0.00 0.00 0.00 175.10 175.36 3dhw s LEU 63 N 0.96 2.78 -0.06 3.92 2.96 -1.05 -0.60 118.68 127.59 3dhw s LEU 63 Ca -0.03 -0.88 0.02 0.00 -0.22 0.00 0.00 54.13 53.02 3dhw s LEU 63 Cb -0.15 -1.56 0.01 0.00 0.50 0.00 0.00 46.19 44.99 3dhw s LEU 63 CO -0.03 -0.08 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.12 3dhw s VAL 64 N 1.26 1.00 -1.40 1.68 1.01 0.48 -2.26 120.40 122.17 3dhw s VAL 64 Ca 0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 3dhw s VAL 64 Cb -0.16 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.31 3dhw s VAL 64 CO -0.08 0.32 1.10 -0.67 0.00 0.00 0.00 175.10 175.77 3dhw n ASP 65 N 3.82 -6.30 0.00 3.32 2.03 -1.18 -1.84 116.55 116.40 3dhw n ASP 65 Ca -0.23 -0.52 0.00 0.00 0.52 0.00 0.00 54.79 54.56 3dhw n ASP 65 Cb 0.52 -4.97 0.00 0.00 -0.72 0.00 0.00 41.12 35.94 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 -1.94 1.46 3.31 0.27 0.00 -1.26 -4.98 105.19 102.04 3dhw n GLY 66 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.04 2.87 -0.23 1.61 -0.21 -0.77 -5.09 119.66 117.81 3dhw s GLN 67 Ca 0.00 -0.82 -0.10 0.00 0.02 0.00 0.00 55.36 54.46 3dhw s GLN 67 Cb 0.00 -2.34 -0.05 0.00 1.00 0.00 0.00 33.01 31.63 3dhw s GLN 67 CO 0.00 0.32 0.14 -1.21 -2.12 0.00 0.00 175.29 172.42 3dhw s GLU 68 N 0.02 4.03 0.31 2.91 2.02 -1.26 -0.39 118.70 126.34 3dhw s GLU 68 Ca -0.07 -0.30 -0.29 0.00 0.02 0.00 0.00 54.97 54.33 3dhw s GLU 68 Cb -0.15 -3.46 -0.10 0.00 0.10 0.00 0.00 34.13 30.52 3dhw s GLU 68 CO 0.05 0.09 1.23 -0.51 0.02 0.00 0.00 175.26 176.14 3dhw s LEU 69 N 0.95 4.48 -0.10 1.80 1.02 0.23 -4.92 118.68 122.13 3dhw s LEU 69 Ca 0.07 2.51 0.04 0.00 0.02 0.00 0.00 54.13 56.77 3dhw s LEU 69 Cb -0.13 -3.64 0.00 0.00 0.02 0.00 0.00 46.19 42.44 3dhw s LEU 69 CO 0.03 -0.38 -0.24 -0.89 0.02 0.00 0.00 176.35 174.90 3dhw s THR 70 N -1.09 2.04 0.24 5.49 2.01 -1.26 -4.53 115.64 118.54 3dhw s THR 70 Ca 0.48 -1.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.40 3dhw s THR 70 Cb -0.37 -1.77 0.21 0.00 0.01 0.00 0.00 72.50 70.58 3dhw s THR 70 CO 0.48 0.56 1.85 0.74 -0.69 0.00 0.00 174.62 177.55 3dhw h THR 71 N 5.72 1.26 -0.89 -0.82 2.02 -1.99 -3.20 112.91 115.00 3dhw h THR 71 Ca -0.20 -0.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 3dhw h THR 71 Cb 1.24 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 3dhw h THR 71 CO 0.47 0.30 0.55 -0.07 0.37 0.00 0.00 175.52 177.14 3dhw h LEU 72 N 1.23 1.07 -7.94 2.58 3.38 -2.03 -3.32 115.31 110.28 3dhw h LEU 72 Ca 0.31 -0.06 -0.66 0.00 0.09 0.00 0.00 57.88 57.56 3dhw h LEU 72 Cb 0.05 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 40.45 3dhw h LEU 72 CO -0.05 0.81 1.98 -0.94 0.09 0.00 0.00 178.44 180.33 3dhw s SER 73 N -6.11 6.74 0.14 -0.43 1.04 -1.21 -4.66 113.70 109.21 3dhw s SER 73 Ca -0.13 -2.15 -0.11 0.00 0.48 0.00 0.00 55.95 54.04 3dhw s SER 73 Cb 0.17 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.66 3dhw s SER 73 CO 0.81 -1.27 1.46 -0.33 0.98 0.00 0.00 173.24 174.89 3dhw h GLU 74 N 8.26 0.93 -0.97 4.02 4.39 -1.85 -2.33 114.58 127.03 3dhw h GLU 74 Ca 0.37 -0.51 0.01 0.00 0.34 0.00 0.00 59.36 59.56 3dhw h GLU 74 Cb 0.91 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.54 3dhw h GLU 74 CO 1.45 1.17 0.64 0.77 -1.16 0.00 0.00 179.01 181.87 3dhw h SER 75 N 0.75 1.12 -0.53 1.42 0.02 -1.95 -1.09 113.55 113.30 3dhw h SER 75 Ca 0.05 -0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.85 3dhw h SER 75 Cb 1.02 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 3dhw h SER 75 CO 0.10 0.82 -0.15 -0.33 -1.14 0.00 0.00 176.83 176.13 3dhw h GLU 76 N 1.32 1.03 -1.00 3.45 4.39 -1.94 -3.10 114.58 118.73 3dhw h GLU 76 Ca 0.35 -0.40 0.01 0.00 0.34 0.00 0.00 59.36 59.66 3dhw h GLU 76 Cb -0.14 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.40 3dhw h GLU 76 CO -0.08 1.09 0.66 1.25 -1.16 0.00 0.00 179.01 180.78 3dhw h LEU 77 N 0.90 1.14 -0.02 1.33 5.85 -0.93 -1.42 115.31 122.16 3dhw h LEU 77 Ca 0.13 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3dhw h LEU 77 Cb 0.73 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 3dhw h LEU 77 CO 0.06 0.82 -0.00 0.74 -0.34 0.00 0.00 178.44 179.72 3dhw h THR 78 N 1.35 0.98 -0.61 1.05 2.02 -1.13 0.75 112.91 117.32 3dhw h THR 78 Ca 0.37 -0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.45 3dhw h THR 78 Cb -0.15 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 3dhw h THR 78 CO -0.08 0.00 0.01 0.11 0.37 0.00 0.00 175.52 175.93 3dhw h LYS 79 N 0.00 1.07 -0.46 6.66 1.57 -1.62 -3.07 116.57 120.73 3dhw h LYS 79 Ca 0.01 -0.34 0.01 0.00 -1.87 0.00 0.00 60.65 58.46 3dhw h LYS 79 Cb 0.01 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3dhw h LYS 79 CO -0.02 1.04 0.30 0.00 -0.57 0.00 0.00 179.45 180.21 3dhw h ALA 80 N 0.99 1.69 -0.11 3.86 0.00 -0.60 0.10 119.26 125.19 3dhw h ALA 80 Ca 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3dhw h ALA 80 Cb 0.55 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3dhw h ALA 80 CO 0.03 0.29 0.01 0.00 0.00 0.00 0.00 179.25 179.57 3dhw h ARG 81 N 0.61 0.15 -0.16 0.00 3.08 -0.77 -1.69 114.38 115.60 3dhw h ARG 81 Ca 0.17 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 3dhw h ARG 81 Cb -0.05 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3dhw h ARG 81 CO -0.04 0.16 0.10 0.00 -1.07 0.00 0.00 179.97 179.13 3dhw h ARG 82 N 0.15 0.22 -0.65 0.04 3.08 -0.93 -2.45 114.38 113.85 3dhw h ARG 82 Ca 0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3dhw h ARG 82 Cb 0.10 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 3dhw h ARG 82 CO 0.00 0.15 0.41 1.96 -1.07 0.00 0.00 179.97 181.42 3dhw h GLN 83 N 0.22 0.87 -5.83 0.04 1.08 -1.41 -3.40 115.11 106.69 3dhw h GLN 83 Ca 0.06 -0.06 -0.67 0.00 -1.45 0.00 0.00 58.65 56.53 3dhw h GLN 83 Cb -0.01 -0.19 -0.20 0.00 -0.05 0.00 0.00 27.48 27.03 3dhw h GLN 83 CO -0.01 0.60 -0.68 -1.50 -0.95 0.00 0.00 178.83 176.28 3dhw s ILE 84 N -5.71 3.78 0.21 2.54 2.07 -0.92 0.02 121.20 123.19 3dhw s ILE 84 Ca -0.10 -0.43 0.08 0.00 -1.41 0.00 0.00 60.65 58.78 3dhw s ILE 84 Cb 0.17 -2.58 -0.04 0.00 0.13 0.00 0.00 42.46 40.14 3dhw s ILE 84 CO 0.77 0.56 0.04 -0.83 -1.91 0.00 0.00 174.94 173.58 3dhw s GLY 85 N -0.40 1.66 0.06 1.50 0.00 0.81 -4.94 107.32 106.00 3dhw s GLY 85 Ca 0.06 -1.43 -0.00 0.00 0.00 0.00 0.00 44.72 43.35 3dhw s GLY 85 CO 0.02 -1.46 -0.04 -0.29 0.00 0.00 0.00 173.10 171.33 3dhw s MET 86 N -3.28 0.62 0.28 2.90 1.75 -1.26 -0.36 119.30 119.96 3dhw s MET 86 Ca 0.30 -1.18 0.04 0.00 -1.25 0.00 0.00 55.69 53.59 3dhw s MET 86 Cb -0.08 0.13 -0.06 0.00 2.84 0.00 0.00 34.83 37.65 3dhw s MET 86 CO 0.20 -0.09 0.04 0.42 -0.65 0.00 0.00 175.02 174.94 3dhw s ILE 87 N -3.63 1.08 0.18 10.11 1.01 -0.90 -4.60 121.20 124.45 3dhw s ILE 87 Ca 0.06 -2.02 0.05 0.00 0.00 0.00 0.00 60.65 58.74 3dhw s ILE 87 Cb 0.06 -2.60 -0.05 0.00 0.01 0.00 0.00 42.46 39.88 3dhw s ILE 87 CO -0.08 -0.12 -0.09 -0.36 0.00 0.00 0.00 174.94 174.28 3dhw s PHE 88 N -3.39 1.46 0.23 3.97 0.40 -1.26 -3.86 117.98 115.54 3dhw s PHE 88 Ca 0.34 -0.74 -0.07 0.00 -0.60 0.00 0.00 56.93 55.86 3dhw s PHE 88 Cb 0.07 -0.75 0.22 0.00 0.51 0.00 0.00 43.02 43.07 3dhw s PHE 88 CO 0.13 0.14 1.89 1.96 0.70 0.00 0.00 175.22 180.04 3dhw h GLN 89 N 2.65 1.24 -6.53 0.44 4.20 -1.64 -3.41 115.11 112.05 3dhw h GLN 89 Ca -0.37 -0.10 -0.66 0.00 0.06 0.00 0.00 58.65 57.58 3dhw h GLN 89 Cb 1.21 -0.27 -0.15 0.00 0.30 0.00 0.00 27.48 28.57 3dhw h GLN 89 CO 0.63 0.85 -0.73 -1.01 -0.67 0.00 0.00 178.83 177.90 3dhw s HIS 90 N -6.02 2.73 0.24 2.96 3.76 -1.26 -4.22 115.29 113.48 3dhw s HIS 90 Ca -0.13 -0.17 -0.07 0.00 -0.15 0.00 0.00 55.06 54.55 3dhw s HIS 90 Cb 0.17 -1.41 0.22 0.00 1.11 0.00 0.00 32.58 32.68 3dhw s HIS 90 CO 0.82 0.45 1.89 0.74 -0.85 0.00 0.00 174.74 177.78 3dhw h PHE 91 N 3.44 1.22 -5.52 1.40 0.04 -1.95 -3.47 116.94 112.10 3dhw h PHE 91 Ca -0.48 -0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.01 3dhw h PHE 91 Cb 1.17 -0.40 0.19 0.00 2.20 0.00 0.00 35.95 39.11 3dhw h PHE 91 CO 0.61 0.81 -0.85 0.09 -0.60 0.00 0.00 178.31 178.37 3dhw n ASN 92 N -4.37 -5.80 -4.64 2.17 3.02 -1.26 -4.70 115.26 99.69 3dhw n ASN 92 Ca 0.10 -0.71 -0.34 0.00 -0.03 0.00 0.00 54.58 53.60 3dhw n ASN 92 Cb 0.05 -5.11 -0.10 0.00 -0.61 0.00 0.00 39.78 34.01 3dhw n ASN 92 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dhw s LEU 93 N -5.61 3.38 0.25 3.41 1.43 -1.26 -5.02 118.68 115.27 3dhw s LEU 93 Ca 0.38 0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 53.23 3dhw s LEU 93 Cb -0.05 -1.78 -0.09 0.00 0.03 0.00 0.00 46.19 44.29 3dhw s LEU 93 CO 0.74 0.36 1.26 -0.76 0.23 0.00 0.00 176.35 178.18 3dhw s LEU 94 N -0.94 4.45 0.00 1.79 1.43 -1.26 -4.88 118.68 119.26 3dhw s LEU 94 Ca 0.14 2.45 0.27 0.00 -1.03 0.00 0.00 54.13 55.96 3dhw s LEU 94 Cb -0.11 -3.62 0.92 0.00 0.03 0.00 0.00 46.19 43.40 3dhw s LEU 94 CO 0.03 -0.45 1.67 -1.54 0.23 0.00 0.00 176.35 176.29 3dhw n SER 95 N 1.81 1.72 0.17 2.29 3.41 -1.26 -3.29 113.62 118.47 3dhw n SER 95 Ca 0.03 -1.57 0.01 0.00 -0.26 0.00 0.00 58.87 57.09 3dhw n SER 95 Cb 0.43 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.67 3dhw n SER 95 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3dhw h SER 96 N 2.69 0.00 -2.32 4.04 0.87 -2.04 -3.45 113.55 113.33 3dhw h SER 96 Ca 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.99 3dhw h SER 96 Cb 0.58 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.44 3dhw h SER 96 CO 0.00 0.46 -0.65 -0.13 -0.53 0.00 0.00 176.83 175.99 3dhw s ARG 97 N -3.92 2.30 0.81 2.24 0.52 -1.21 -5.09 118.95 114.60 3dhw s ARG 97 Ca -0.02 -1.37 -0.12 0.00 -0.52 0.00 0.00 55.73 53.70 3dhw s ARG 97 Cb 0.13 -2.19 0.08 0.00 0.52 0.00 0.00 34.95 33.50 3dhw s ARG 97 CO 0.73 0.38 1.17 0.95 0.02 0.00 0.00 175.30 178.56 3dhw s THR 98 N -2.22 2.01 0.16 0.02 -4.23 -1.26 -3.26 115.64 106.85 3dhw s THR 98 Ca 0.31 -0.01 -0.16 0.00 -1.18 0.00 0.00 61.69 60.64 3dhw s THR 98 Cb -0.07 -3.00 0.02 0.00 1.34 0.00 0.00 72.50 70.79 3dhw s THR 98 CO 0.20 0.00 1.80 0.58 -0.54 0.00 0.00 174.62 176.66 3dhw h VAL 99 N -1.05 1.05 -0.85 2.29 2.07 -0.97 0.15 116.25 118.95 3dhw h VAL 99 Ca -0.46 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 66.90 3dhw h VAL 99 Cb 1.33 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 3dhw h VAL 99 CO 0.65 0.09 0.56 0.15 0.02 0.00 0.00 177.57 179.04 3dhw h PHE 100 N 0.49 1.07 -0.49 1.57 3.57 -1.72 -1.84 116.94 119.59 3dhw h PHE 100 Ca 0.16 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 3dhw h PHE 100 Cb -0.01 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.35 3dhw h PHE 100 CO -0.07 0.67 0.29 0.78 -2.23 0.00 0.00 178.31 177.76 3dhw h GLY 101 N 1.15 0.71 1.00 2.40 0.00 -1.04 -0.64 103.07 106.65 3dhw h GLY 101 Ca 0.31 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3dhw h GLY 101 CO -0.07 0.29 0.40 3.43 0.00 0.00 0.00 176.54 180.59 3dhw h ASN 102 N 0.65 0.72 -0.57 0.19 2.35 -0.29 0.11 115.58 118.74 3dhw h ASN 102 Ca 0.17 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.90 3dhw h ASN 102 Cb 0.00 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 3dhw h ASN 102 CO -0.03 0.54 0.38 0.58 -1.65 0.00 0.00 177.43 177.25 3dhw h VAL 103 N 0.84 1.14 -1.00 2.81 2.07 -1.42 1.13 116.25 121.81 3dhw h VAL 103 Ca 0.22 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.49 3dhw h VAL 103 Cb -0.07 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 29.95 3dhw h VAL 103 CO -0.05 0.14 0.66 0.00 0.02 0.00 0.00 177.57 178.35 3dhw h ALA 104 N 1.64 1.27 -0.07 1.67 0.00 0.81 -3.40 119.26 121.20 3dhw h ALA 104 Ca 0.21 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3dhw h ALA 104 Cb -0.08 -0.41 -0.01 0.00 0.00 0.00 0.00 17.79 17.29 3dhw h ALA 104 CO -0.05 0.67 -0.04 1.28 0.00 0.00 0.00 179.25 181.11 3dhw n LEU 105 N -4.38 -0.07 -0.25 0.00 4.77 0.39 -1.15 117.00 116.31 3dhw n LEU 105 Ca 0.12 1.03 0.03 0.00 -0.03 0.00 0.00 56.01 57.17 3dhw n LEU 105 Cb 0.01 -0.47 0.13 0.00 -2.33 0.00 0.00 43.42 40.76 3dhw n LEU 105 CO 0.37 -0.55 0.79 1.55 -1.33 0.00 0.00 177.39 178.21 3dhw h PRO 106 N 0.00 0.06 -1.01 3.23 0.13 -1.76 1.22 132.00 133.87 3dhw h PRO 106 Ca 0.01 -0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.15 3dhw h PRO 106 Cb 0.03 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.09 3dhw h PRO 106 CO -0.06 0.04 0.67 -0.07 -0.23 0.00 0.00 178.00 178.35 3dhw h LEU 107 N 0.06 1.15 -0.81 1.56 3.38 -1.69 -0.38 115.31 118.59 3dhw h LEU 107 Ca 0.38 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.28 3dhw h LEU 107 Cb 0.64 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3dhw h LEU 107 CO -0.68 0.83 0.32 -0.08 0.09 0.00 0.00 178.44 178.92 3dhw h GLU 108 N 1.35 1.20 -0.49 1.13 4.81 0.13 0.14 114.58 122.86 3dhw h GLU 108 Ca 0.37 -0.22 -0.13 0.00 -0.13 0.00 0.00 59.36 59.26 3dhw h GLU 108 Cb -0.13 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.04 3dhw h GLU 108 CO -0.09 0.97 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.89 3dhw h LEU 109 N 1.17 1.02 0.00 1.64 3.38 0.29 -3.35 115.31 119.47 3dhw h LEU 109 Ca 0.27 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3dhw h LEU 109 Cb 0.22 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3dhw h LEU 109 CO -0.02 1.18 0.00 0.47 0.09 0.00 0.00 178.44 180.16 3dhw n ASP 110 N -4.11 0.00 -0.31 -0.43 8.00 -0.59 -4.83 116.55 114.27 3dhw n ASP 110 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 3dhw n ASP 110 Cb 0.45 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.63 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 0.00 1.11 -6.14 -2.24 -0.26 -1.79 -3.48 115.58 102.77 3dhw h ASN 111 Ca 0.00 -0.13 -0.41 0.00 -0.56 0.00 0.00 56.30 55.20 3dhw h ASN 111 Cb 0.00 -0.28 0.10 0.00 -1.06 0.00 0.00 38.32 37.08 3dhw h ASN 111 CO 0.00 0.93 -0.92 0.35 -1.06 0.00 0.00 177.43 176.72 3dhw n THR 112 N -4.32 -6.27 -3.83 2.81 -2.24 0.49 -4.98 114.28 95.94 3dhw n THR 112 Ca 0.08 -0.99 -0.36 0.00 -2.27 0.00 0.00 64.05 60.51 3dhw n THR 112 Cb 0.13 -4.61 -0.13 0.00 -2.10 0.00 0.00 70.33 63.62 3dhw n THR 112 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3dhw s PRO 113 N -5.76 2.57 0.25 -0.78 0.04 -1.26 -5.04 135.00 125.03 3dhw s PRO 113 Ca 0.47 -1.19 -0.06 0.00 0.04 0.00 0.00 61.00 60.26 3dhw s PRO 113 Cb -0.16 -3.31 0.26 0.00 0.04 0.00 0.00 34.50 31.33 3dhw s PRO 113 CO 0.85 -0.62 1.93 0.87 0.04 0.00 0.00 177.00 180.07 3dhw h LYS 114 N 8.11 1.31 -0.25 4.56 1.57 -1.97 -2.71 116.57 127.21 3dhw h LYS 114 Ca -0.23 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3dhw h LYS 114 Cb 1.08 -0.30 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 3dhw h LYS 114 CO 0.57 0.87 0.14 -0.44 -0.57 0.00 0.00 179.45 180.02 3dhw h ASP 115 N 1.35 0.30 -0.72 0.86 3.32 -2.02 -2.88 116.42 116.64 3dhw h ASP 115 Ca 0.37 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.35 3dhw h ASP 115 Cb -0.15 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 3dhw h ASP 115 CO -0.08 0.28 0.45 -0.33 -1.72 0.00 0.00 179.24 177.84 3dhw h GLU 116 N 0.30 0.97 -0.80 3.56 5.08 -1.98 -2.62 114.58 119.08 3dhw h GLU 116 Ca 0.09 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3dhw h GLU 116 Cb 0.04 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 3dhw h GLU 116 CO -0.02 0.67 0.53 0.28 -1.00 0.00 0.00 179.01 179.48 3dhw h VAL 117 N 0.99 1.20 -0.31 3.13 2.07 -1.26 0.45 116.25 122.53 3dhw h VAL 117 Ca 0.26 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3dhw h VAL 117 Cb -0.06 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.72 3dhw h VAL 117 CO -0.05 0.20 0.20 0.11 0.02 0.00 0.00 177.57 178.05 3dhw h LYS 118 N 1.08 0.41 0.53 1.57 1.57 -1.45 -0.86 116.57 119.41 3dhw h LYS 118 Ca 0.29 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 3dhw h LYS 118 Cb -0.12 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.11 3dhw h LYS 118 CO -0.07 0.27 -0.25 0.00 -0.57 0.00 0.00 179.45 178.83 3dhw h ARG 119 N 0.42 -0.68 -0.48 3.15 3.08 -0.95 -2.53 114.38 116.38 3dhw h ARG 119 Ca 0.11 0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 3dhw h ARG 119 Cb -0.05 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3dhw h ARG 119 CO -0.02 -0.41 0.16 0.00 -1.07 0.00 0.00 179.97 178.62 3dhw h ARG 120 N -0.80 0.75 -0.34 0.04 3.08 -0.14 4.87 114.38 121.84 3dhw h ARG 120 Ca -0.07 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 3dhw h ARG 120 Cb 0.58 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3dhw h ARG 120 CO 0.12 0.70 0.14 0.28 -1.07 0.00 0.00 179.97 180.13 3dhw h VAL 121 N 0.65 1.19 -0.22 2.04 2.07 -1.23 1.73 116.25 122.48 3dhw h VAL 121 Ca 0.16 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 3dhw h VAL 121 Cb 0.26 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3dhw h VAL 121 CO -0.01 0.20 0.13 0.74 0.02 0.00 0.00 177.57 178.66 3dhw h THR 122 N 0.41 1.08 -0.15 2.57 2.02 -0.74 0.61 112.91 118.71 3dhw h THR 122 Ca 0.11 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 3dhw h THR 122 Cb 0.19 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3dhw h THR 122 CO -0.01 0.07 0.07 -0.33 0.37 0.00 0.00 175.52 175.70 3dhw h GLU 123 N 0.27 0.22 -0.77 6.66 5.08 1.06 0.66 114.58 127.76 3dhw h GLU 123 Ca 0.08 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3dhw h GLU 123 Cb 0.01 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3dhw h GLU 123 CO -0.02 0.27 0.26 -0.07 -1.00 0.00 0.00 179.01 178.45 3dhw h LEU 124 N 0.11 1.10 -0.98 1.33 4.07 0.29 0.65 115.31 121.89 3dhw h LEU 124 Ca 0.05 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.82 3dhw h LEU 124 Cb 0.12 -0.29 -0.05 0.00 1.08 0.00 0.00 40.66 41.53 3dhw h LEU 124 CO -0.01 1.01 0.62 -0.07 -1.08 0.00 0.00 178.44 178.91 3dhw h LEU 125 N 1.14 1.15 -0.99 1.67 3.38 0.65 0.38 115.31 122.69 3dhw h LEU 125 Ca 0.25 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.18 3dhw h LEU 125 Cb 0.28 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3dhw h LEU 125 CO -0.01 0.86 0.65 0.77 0.09 0.00 0.00 178.44 180.80 3dhw h SER 126 N 1.34 1.15 -0.93 -0.43 4.64 0.20 -3.08 113.55 116.45 3dhw h SER 126 Ca 0.36 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3dhw h SER 126 Cb -0.11 -0.29 -0.05 0.00 -0.31 0.00 0.00 62.40 61.65 3dhw h SER 126 CO -0.07 0.84 0.58 0.25 -0.87 0.00 0.00 176.83 177.55 3dhw h LEU 127 N 1.35 1.10 -0.57 5.97 5.85 0.18 -3.33 115.31 125.86 3dhw h LEU 127 Ca 0.36 -0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.91 3dhw h LEU 127 Cb -0.15 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.59 3dhw h LEU 127 CO -0.08 0.83 -0.13 -0.37 -0.34 0.00 0.00 178.44 178.35 3dhw h VAL 128 N 1.27 1.27 0.00 1.05 -1.51 -0.80 -3.49 116.25 114.04 3dhw h VAL 128 Ca 0.33 -1.29 0.00 0.00 -1.23 0.00 0.00 66.70 64.52 3dhw h VAL 128 Cb -0.08 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.07 3dhw h VAL 128 CO -0.07 0.45 0.00 0.61 -1.23 0.00 0.00 177.57 177.34 3dhw n GLY 129 N -0.25 2.31 0.00 5.19 0.00 -1.22 -4.94 105.19 106.27 3dhw n GLY 129 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3dhw n GLY 129 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3dhw n LEU 130 N 0.00 0.00 0.00 0.99 -0.00 -1.26 -4.63 117.00 112.11 3dhw n LEU 130 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3dhw n LEU 130 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3dhw n LEU 130 CO 0.00 -0.13 0.00 0.61 -0.00 0.00 0.00 177.39 177.87 3dhw n GLY 131 N 5.00 2.74 0.08 1.47 0.00 -1.25 -4.22 105.19 109.00 3dhw n GLY 131 Ca 0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.23 3dhw n GLY 131 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dhw h ASP 132 N 0.00 0.13 -0.01 1.61 3.45 -1.82 -3.26 116.42 116.52 3dhw h ASP 132 Ca 0.00 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3dhw h ASP 132 Cb 0.00 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 38.74 3dhw h ASP 132 CO 0.00 0.09 -0.11 0.29 -1.57 0.00 0.00 179.24 177.95 3dhw n LYS 133 N -5.01 1.41 -0.38 3.56 5.02 -1.26 -4.73 118.16 116.76 3dhw n LYS 133 Ca -0.05 -0.75 0.08 0.00 -2.02 0.00 0.00 58.31 55.58 3dhw n LYS 133 Cb 0.03 -1.09 0.24 0.00 -0.02 0.00 0.00 35.03 34.19 3dhw n LYS 133 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3dhw n HIS 134 N 0.04 0.80 -0.31 2.13 8.25 -1.23 -4.67 115.22 120.22 3dhw n HIS 134 Ca 0.04 -0.86 -0.05 0.00 -0.26 0.00 0.00 57.72 56.60 3dhw n HIS 134 Cb 0.20 -0.27 0.08 0.00 1.12 0.00 0.00 29.99 31.11 3dhw n HIS 134 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 3dhw h ASP 135 N 1.60 1.07 -0.91 0.41 2.03 -1.85 -3.08 116.42 115.69 3dhw h ASP 135 Ca 0.00 -0.11 -0.00 0.00 -0.73 0.00 0.00 57.03 56.18 3dhw h ASP 135 Cb 1.34 -0.27 -0.04 0.00 -0.83 0.00 0.00 39.33 39.52 3dhw h ASP 135 CO 0.18 0.88 0.56 0.28 -1.03 0.00 0.00 179.24 180.11 3dhw h SER 136 N 1.18 1.09 -3.46 4.15 0.02 -1.93 -2.94 113.55 111.67 3dhw h SER 136 Ca 0.29 -0.06 -0.52 0.00 -0.84 0.00 0.00 61.79 60.66 3dhw h SER 136 Cb 0.06 -0.27 0.03 0.00 0.14 0.00 0.00 62.40 62.36 3dhw h SER 136 CO -0.04 0.83 0.62 -0.47 -1.14 0.00 0.00 176.83 176.62 3dhw s TYR 137 N -6.00 3.30 0.56 3.45 5.04 -1.16 -4.85 117.35 117.69 3dhw s TYR 137 Ca -0.13 1.31 -0.01 0.00 -2.44 0.00 0.00 57.07 55.80 3dhw s TYR 137 Cb 0.17 -3.55 0.03 0.00 0.35 0.00 0.00 41.96 38.96 3dhw s TYR 137 CO 0.82 -1.64 0.80 -1.25 -1.34 0.00 0.00 175.55 172.94 3dhw s PRO 138 N -0.32 2.62 0.00 4.97 0.04 -1.26 -0.68 135.00 140.37 3dhw s PRO 138 Ca 0.55 -0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.01 3dhw s PRO 138 Cb -0.35 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 31.75 3dhw s PRO 138 CO 0.39 -0.71 0.25 0.43 0.04 0.00 0.00 177.00 177.40 3dhw n SER 139 N -2.40 0.00 -0.77 6.66 7.64 -1.20 -3.11 113.62 120.44 3dhw n SER 139 Ca 0.06 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.94 3dhw n SER 139 Cb 0.59 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.83 3dhw n SER 139 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3dhw n ASN 140 N -0.50 1.89 -4.82 6.43 3.02 -1.26 -4.79 115.26 115.22 3dhw n ASN 140 Ca 0.00 -2.12 -0.33 0.00 -0.03 0.00 0.00 54.58 52.11 3dhw n ASN 140 Cb 0.25 -0.52 -0.02 0.00 -0.61 0.00 0.00 39.78 38.87 3dhw n ASN 140 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3dhw s LEU 141 N -0.31 3.62 0.78 3.41 2.96 -1.18 -5.06 118.68 122.90 3dhw s LEU 141 Ca 0.06 1.70 -0.11 0.00 -0.22 0.00 0.00 54.13 55.56 3dhw s LEU 141 Cb 0.05 -4.52 0.06 0.00 0.50 0.00 0.00 46.19 42.27 3dhw s LEU 141 CO 0.02 -0.80 1.10 -0.94 -1.32 0.00 0.00 176.35 174.40 3dhw s SER 142 N -2.81 4.37 0.24 3.68 1.04 -1.26 -4.57 113.70 114.40 3dhw s SER 142 Ca 0.62 1.87 -0.07 0.00 0.48 0.00 0.00 55.95 58.85 3dhw s SER 142 Cb -0.13 -2.53 0.25 0.00 0.10 0.00 0.00 66.02 63.71 3dhw s SER 142 CO 0.31 -2.12 1.92 1.23 0.98 0.00 0.00 173.24 175.56 3dhw h GLY 143 N -1.14 1.36 1.01 7.32 0.00 -1.97 0.94 103.07 110.60 3dhw h GLY 143 Ca -0.44 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 46.40 3dhw h GLY 143 CO 0.50 0.49 0.65 -1.33 0.00 0.00 0.00 176.54 176.86 3dhw h GLY 144 N 1.30 1.40 1.06 4.60 0.00 -1.97 -0.29 103.07 109.17 3dhw h GLY 144 Ca 0.36 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 3dhw h GLY 144 CO -0.08 0.52 0.20 1.46 0.00 0.00 0.00 176.54 178.63 3dhw h GLN 145 N 1.35 1.15 -0.90 4.80 4.20 -1.52 -3.18 115.11 121.01 3dhw h GLN 145 Ca 0.36 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 3dhw h GLN 145 Cb -0.15 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.43 3dhw h GLN 145 CO -0.08 1.00 0.55 0.87 -0.67 0.00 0.00 178.83 180.51 3dhw h LYS 146 N 1.10 1.21 -0.93 1.46 1.57 0.26 -2.61 116.57 118.63 3dhw h LYS 146 Ca 0.23 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3dhw h LYS 146 Cb 0.35 -0.26 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 3dhw h LYS 146 CO -0.00 0.84 0.58 0.37 -0.57 0.00 0.00 179.45 180.67 3dhw h GLN 147 N 1.23 1.25 -0.99 3.15 5.75 -1.38 -2.03 115.11 122.09 3dhw h GLN 147 Ca 0.32 -0.10 0.01 0.00 -0.15 0.00 0.00 58.65 58.73 3dhw h GLN 147 Cb -0.07 -0.27 -0.05 0.00 1.07 0.00 0.00 27.48 28.16 3dhw h GLN 147 CO -0.06 0.85 0.64 0.00 -2.65 0.00 0.00 178.83 177.61 3dhw h ARG 148 N 1.27 1.31 -0.85 1.69 3.08 -1.54 0.13 114.38 119.48 3dhw h ARG 148 Ca 0.34 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3dhw h ARG 148 Cb -0.09 -0.29 -0.04 0.00 0.08 0.00 0.00 29.97 29.62 3dhw h ARG 148 CO -0.07 0.88 0.54 0.28 -1.07 0.00 0.00 179.97 180.53 3dhw h VAL 149 N 1.34 1.23 -0.80 2.04 2.07 -1.22 -0.80 116.25 120.11 3dhw h VAL 149 Ca 0.36 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.44 3dhw h VAL 149 Cb -0.13 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.60 3dhw h VAL 149 CO -0.08 0.23 0.53 0.00 0.02 0.00 0.00 177.57 178.27 3dhw h ALA 150 N 1.30 1.01 -0.00 1.67 0.00 -0.34 -2.39 119.26 120.50 3dhw h ALA 150 Ca 0.31 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 55.01 3dhw h ALA 150 Cb -0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 3dhw h ALA 150 CO -0.06 0.43 -0.73 -0.84 0.00 0.00 0.00 179.25 178.05 3dhw h ILE 151 N 1.08 1.51 -0.98 0.00 3.07 -0.41 0.51 117.51 122.29 3dhw h ILE 151 Ca 0.29 -2.45 0.02 0.00 1.55 0.00 0.00 64.86 64.27 3dhw h ILE 151 Cb -0.13 2.32 -0.05 0.00 -0.27 0.00 0.00 36.82 38.70 3dhw h ILE 151 CO -0.06 0.70 0.65 0.00 -1.05 0.00 0.00 178.15 178.39 3dhw h ALA 152 N 1.24 1.26 -0.77 0.16 0.00 -0.83 0.39 119.26 120.71 3dhw h ALA 152 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3dhw h ALA 152 Cb 1.29 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 3dhw h ALA 152 CO 0.10 0.62 0.50 -0.09 0.00 0.00 0.00 179.25 180.37 3dhw h ARG 153 N 1.32 1.02 -0.97 0.00 2.43 -0.79 -3.08 114.38 114.31 3dhw h ARG 153 Ca 0.37 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.47 3dhw h ARG 153 Cb -0.12 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 29.15 3dhw h ARG 153 CO -0.09 0.68 0.63 0.00 -1.51 0.00 0.00 179.97 179.68 3dhw h ALA 154 N 1.27 1.23 -0.24 2.80 0.00 0.30 -2.28 119.26 122.33 3dhw h ALA 154 Ca 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3dhw h ALA 154 Cb -0.10 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.30 3dhw h ALA 154 CO -0.06 0.64 0.00 1.28 0.00 0.00 0.00 179.25 181.11 3dhw n LEU 155 N -4.39 1.77 -0.37 0.00 4.77 0.10 -4.42 117.00 114.46 3dhw n LEU 155 Ca 0.11 -0.80 -0.02 0.00 -0.03 0.00 0.00 56.01 55.27 3dhw n LEU 155 Cb 0.02 -0.16 0.11 0.00 -2.33 0.00 0.00 43.42 41.06 3dhw n LEU 155 CO 0.37 0.40 1.29 0.00 -1.33 0.00 0.00 177.39 178.12 3dhw h ALA 156 N 3.89 1.25 -0.39 -1.18 0.00 -1.33 -1.78 119.26 119.73 3dhw h ALA 156 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3dhw h ALA 156 Cb 0.48 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3dhw h ALA 156 CO 0.00 0.64 0.00 0.43 0.00 0.00 0.00 179.25 180.32 3dhw n SER 157 N -4.40 4.16 -3.59 0.00 7.64 -1.26 -4.86 113.62 111.31 3dhw n SER 157 Ca 0.12 -2.62 -0.28 0.00 1.01 0.00 0.00 58.87 57.10 3dhw n SER 157 Cb 0.01 -0.62 0.05 0.00 -1.01 0.00 0.00 64.21 62.64 3dhw n SER 157 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3dhw n ASN 158 N 0.42 -5.65 -4.67 6.43 5.03 -0.67 -4.79 115.26 111.36 3dhw n ASN 158 Ca 0.19 -0.95 -0.42 0.00 0.87 0.00 0.00 54.58 54.27 3dhw n ASN 158 Cb 0.88 -3.77 -0.03 0.00 -1.02 0.00 0.00 39.78 35.84 3dhw n ASN 158 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 3dhw s PRO 159 N -5.62 4.15 0.21 3.52 0.04 -1.26 -4.95 135.00 131.09 3dhw s PRO 159 Ca 0.47 2.56 -0.08 0.00 0.04 0.00 0.00 61.00 64.00 3dhw s PRO 159 Cb -0.15 -3.91 0.15 0.00 0.04 0.00 0.00 34.50 30.64 3dhw s PRO 159 CO 0.84 -0.89 1.72 0.87 0.04 0.00 0.00 177.00 179.58 3dhw h LYS 160 N 9.65 1.11 -5.33 4.56 1.57 -0.71 -3.44 116.57 123.98 3dhw h LYS 160 Ca -0.47 -0.27 -0.67 0.00 -1.87 0.00 0.00 60.65 57.37 3dhw h LYS 160 Cb 1.22 -0.14 -0.30 0.00 0.08 0.00 0.00 32.23 33.09 3dhw h LYS 160 CO 0.94 0.98 -0.82 0.08 -0.57 0.00 0.00 179.45 180.07 3dhw s VAL 161 N -5.28 2.56 -0.09 0.50 1.01 -1.23 -2.91 120.40 114.96 3dhw s VAL 161 Ca -0.12 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.06 3dhw s VAL 161 Cb 0.15 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 3dhw s VAL 161 CO 0.84 0.54 -0.20 -0.22 0.00 0.00 0.00 175.10 176.06 3dhw s LEU 162 N 0.35 2.32 -0.13 3.92 0.20 -0.83 0.28 118.68 124.78 3dhw s LEU 162 Ca -0.15 -0.44 0.00 0.00 0.69 0.00 0.00 54.13 54.23 3dhw s LEU 162 Cb -0.17 -1.47 -0.01 0.00 -0.43 0.00 0.00 46.19 44.11 3dhw s LEU 162 CO 0.07 0.21 -0.14 -0.76 -0.29 0.00 0.00 176.35 175.44 3dhw s LEU 163 N 0.06 2.67 -0.24 -0.68 1.43 0.52 -0.32 118.68 122.12 3dhw s LEU 163 Ca -0.09 -0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 52.61 3dhw s LEU 163 Cb -0.15 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 3dhw s LEU 163 CO 0.06 0.16 0.02 0.00 0.23 0.00 0.00 176.35 176.82 3dhw s ASP 165 N 1.55 6.22 -1.31 0.00 -1.08 -1.25 -2.46 116.67 118.34 3dhw s ASP 165 Ca 0.06 -0.78 -0.16 0.00 -0.52 0.00 0.00 52.55 51.15 3dhw s ASP 165 Cb -0.15 -2.27 0.02 0.00 -1.46 0.00 0.00 42.92 39.07 3dhw s ASP 165 CO 0.01 -0.76 0.30 -0.62 0.52 0.00 0.00 175.17 174.63 3dhw n GLU 166 N 5.93 -0.61 0.02 4.34 1.02 -1.18 -2.35 120.64 127.81 3dhw n GLU 166 Ca -0.06 0.05 -0.11 0.00 -0.02 0.00 0.00 57.16 57.01 3dhw n GLU 166 Cb 0.46 -2.83 -0.06 0.00 -0.02 0.00 0.00 31.44 28.99 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 1.30 0.07 -0.72 0.62 0.00 -1.79 -2.90 119.26 115.83 3dhw h ALA 167 Ca -0.65 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3dhw h ALA 167 Cb 1.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3dhw h ALA 167 CO 0.58 -0.44 0.00 0.25 0.00 0.00 0.00 179.25 179.65 3dhw n THR 168 N -5.05 1.10 0.12 0.00 -2.24 -1.26 -4.45 114.28 102.50 3dhw n THR 168 Ca -0.06 -1.00 0.06 0.00 -2.27 0.00 0.00 64.05 60.78 3dhw n THR 168 Cb 0.03 0.43 0.53 0.00 -2.10 0.00 0.00 70.33 69.22 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 4.23 0.24 -0.02 3.42 4.64 -1.82 -1.15 113.55 123.09 3dhw h SER 169 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3dhw h SER 169 Cb 1.05 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3dhw h SER 169 CO 0.04 0.18 0.00 0.00 -0.87 0.00 0.00 176.83 176.17 3dhw n ALA 170 N -2.51 2.54 -2.95 5.18 0.00 -1.26 -4.90 120.51 116.61 3dhw n ALA 170 Ca 0.00 -0.52 -0.34 0.00 0.00 0.00 0.00 53.44 52.59 3dhw n ALA 170 Cb 0.08 -1.06 -0.12 0.00 0.00 0.00 0.00 19.45 18.34 3dhw n ALA 170 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dhw s LEU 171 N -2.00 3.13 0.77 0.00 1.43 -0.43 -5.10 118.68 116.48 3dhw s LEU 171 Ca 0.35 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.18 3dhw s LEU 171 Cb 0.21 -1.74 0.06 0.00 0.03 0.00 0.00 46.19 44.74 3dhw s LEU 171 CO 0.32 0.18 1.09 1.51 0.23 0.00 0.00 176.35 179.69 3dhw s ASP 172 N 0.27 4.51 0.36 2.29 -4.77 -1.26 -4.48 116.67 113.59 3dhw s ASP 172 Ca -0.05 1.83 0.19 0.00 -3.30 0.00 0.00 52.55 51.23 3dhw s ASP 172 Cb -0.14 -2.52 1.22 0.00 -1.09 0.00 0.00 42.92 40.39 3dhw s ASP 172 CO 0.03 -2.03 1.63 1.55 0.70 0.00 0.00 175.17 177.05 3dhw h PRO 173 N -1.09 0.18 0.03 2.11 0.13 -1.97 -0.86 132.00 130.52 3dhw h PRO 173 Ca -0.44 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3dhw h PRO 173 Cb 1.23 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 3dhw h PRO 173 CO 0.51 0.12 -0.02 0.00 -0.23 0.00 0.00 178.00 178.38 3dhw h ALA 174 N 1.87 -0.05 -0.74 -0.56 0.00 -2.00 0.32 119.26 118.10 3dhw h ALA 174 Ca 0.79 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.63 3dhw h ALA 174 Cb 1.98 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.77 3dhw h ALA 174 CO -0.64 -0.53 0.22 1.15 0.00 0.00 0.00 179.25 179.45 3dhw h THR 175 N -0.06 1.26 -0.95 0.00 2.02 -1.76 -2.51 112.91 110.92 3dhw h THR 175 Ca -0.00 -0.92 0.01 0.00 0.77 0.00 0.00 66.41 66.26 3dhw h THR 175 Cb 0.05 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 66.87 3dhw h THR 175 CO -0.00 0.36 0.61 0.74 0.37 0.00 0.00 175.52 177.61 3dhw h THR 176 N 1.10 1.25 0.21 3.16 2.02 -0.69 0.37 112.91 120.34 3dhw h THR 176 Ca 0.24 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 3dhw h THR 176 Cb 0.32 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 3dhw h THR 176 CO -0.01 0.25 -0.10 0.03 0.37 0.00 0.00 175.52 176.06 3dhw h ARG 177 N 1.30 -0.28 -0.46 6.66 3.08 0.06 -0.80 114.38 123.94 3dhw h ARG 177 Ca 0.35 0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.34 3dhw h ARG 177 Cb -0.12 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3dhw h ARG 177 CO -0.07 -0.17 0.01 0.77 -1.07 0.00 0.00 179.97 179.43 3dhw h SER 178 N -0.30 0.79 -0.46 7.04 0.02 -1.15 -2.06 113.55 117.42 3dhw h SER 178 Ca -0.03 -0.30 -0.14 0.00 -0.84 0.00 0.00 61.79 60.48 3dhw h SER 178 Cb 0.23 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 3dhw h SER 178 CO 0.05 0.90 -0.26 0.40 -1.14 0.00 0.00 176.83 176.79 3dhw h ILE 179 N 0.66 1.27 -0.79 3.27 2.04 -0.21 -1.43 117.51 122.31 3dhw h ILE 179 Ca 0.13 -1.42 -0.02 0.00 1.00 0.00 0.00 64.86 64.55 3dhw h ILE 179 Cb 0.49 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 3dhw h ILE 179 CO 0.02 0.49 0.42 -0.07 0.00 0.00 0.00 178.15 179.01 3dhw h LEU 180 N 0.84 1.00 -0.91 1.44 3.38 -0.93 0.61 115.31 120.74 3dhw h LEU 180 Ca 0.10 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3dhw h LEU 180 Cb 0.84 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3dhw h LEU 180 CO 0.07 0.82 0.52 -0.33 0.09 0.00 0.00 178.44 179.62 3dhw h GLU 181 N 1.11 1.25 -0.96 1.13 5.08 -0.95 0.87 114.58 122.11 3dhw h GLU 181 Ca 0.28 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 3dhw h GLU 181 Cb 0.05 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 29.00 3dhw h GLU 181 CO -0.04 0.90 0.63 1.25 -1.00 0.00 0.00 179.01 180.75 3dhw h LEU 182 N 1.26 1.08 -1.01 1.33 5.85 -0.12 0.17 115.31 123.87 3dhw h LEU 182 Ca 0.32 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.04 3dhw h LEU 182 Cb -0.01 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.71 3dhw h LEU 182 CO -0.06 0.76 0.67 -0.07 -0.34 0.00 0.00 178.44 179.40 3dhw h LEU 183 N 1.26 1.15 -1.00 2.25 -0.00 0.14 -0.08 115.31 119.02 3dhw h LEU 183 Ca 0.37 -0.03 0.01 0.00 -0.00 0.00 0.00 57.88 58.23 3dhw h LEU 183 Cb -0.08 -0.28 -0.05 0.00 -0.00 0.00 0.00 40.66 40.25 3dhw h LEU 183 CO -0.10 0.82 0.66 0.11 -0.00 0.00 0.00 178.44 179.94 3dhw h LYS 184 N 1.35 1.32 -0.83 1.13 1.57 -0.10 -0.97 116.57 120.05 3dhw h LYS 184 Ca 0.38 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 3dhw h LYS 184 Cb -0.13 -0.30 -0.04 0.00 0.08 0.00 0.00 32.23 31.84 3dhw h LYS 184 CO -0.09 0.88 0.47 -0.44 -0.57 0.00 0.00 179.45 179.70 3dhw h ASP 185 N 1.36 1.02 0.20 0.86 3.32 -0.33 0.40 116.42 123.25 3dhw h ASP 185 Ca 0.37 -0.09 -0.12 0.00 0.02 0.00 0.00 57.03 57.22 3dhw h ASP 185 Cb -0.15 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.13 3dhw h ASP 185 CO -0.08 0.81 -0.43 0.16 -1.72 0.00 0.00 179.24 177.98 3dhw h ILE 186 N 1.15 1.32 -0.05 0.35 3.07 -0.72 -3.05 117.51 119.57 3dhw h ILE 186 Ca 0.29 -1.58 0.00 0.00 1.55 0.00 0.00 64.86 65.13 3dhw h ILE 186 Cb 0.00 1.69 -0.00 0.00 -0.27 0.00 0.00 36.82 38.24 3dhw h ILE 186 CO -0.05 0.48 0.03 -1.13 -1.05 0.00 0.00 178.15 176.43 3dhw h ASN 187 N 0.25 0.06 -0.94 2.16 -1.24 0.11 -3.36 115.58 112.61 3dhw h ASN 187 Ca 0.02 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.03 3dhw h ASN 187 Cb 0.86 -0.01 -0.05 0.00 0.73 0.00 0.00 38.32 39.85 3dhw h ASN 187 CO 0.07 0.04 0.60 0.03 -1.29 0.00 0.00 177.43 176.88 3dhw h ARG 188 N 0.06 1.25 -6.05 6.67 3.08 -0.73 -3.35 114.38 115.31 3dhw h ARG 188 Ca 0.02 -0.09 -0.60 0.00 0.07 0.00 0.00 59.98 59.38 3dhw h ARG 188 Cb -0.00 -0.27 -0.05 0.00 0.08 0.00 0.00 29.97 29.72 3dhw h ARG 188 CO -0.00 0.85 -0.53 1.03 -1.07 0.00 0.00 179.97 180.25 3dhw s ARG 189 N -6.06 3.22 0.46 0.04 0.52 -1.18 -4.91 118.95 111.04 3dhw s ARG 189 Ca -0.13 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 54.48 3dhw s ARG 189 Cb 0.17 -2.89 0.00 0.00 0.52 0.00 0.00 34.95 32.75 3dhw s ARG 189 CO 0.81 0.56 0.00 1.28 0.02 0.00 0.00 175.30 177.97 3dhw n LEU 190 N 0.04 -1.31 -4.09 2.53 4.77 -1.26 -4.10 117.00 113.57 3dhw n LEU 190 Ca -0.07 2.21 -0.43 0.00 -0.03 0.00 0.00 56.01 57.69 3dhw n LEU 190 Cb 0.52 -2.19 0.00 0.00 -2.33 0.00 0.00 43.42 39.42 3dhw n LEU 190 CO 0.48 -0.60 2.01 0.61 -1.33 0.00 0.00 177.39 178.56 3dhw n GLY 191 N -2.32 3.98 3.71 -0.72 0.00 -1.26 -4.76 105.19 103.83 3dhw n GLY 191 Ca 0.00 -1.84 -0.35 0.00 0.00 0.00 0.00 46.02 43.82 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 1.58 4.16 -0.10 0.99 1.43 -1.26 -4.75 118.68 120.74 3dhw s LEU 192 Ca 0.45 0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.78 3dhw s LEU 192 Cb 0.07 -2.08 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 3dhw s LEU 192 CO -0.01 0.16 -0.24 -0.89 0.23 0.00 0.00 176.35 175.60 3dhw s THR 193 N 0.50 2.09 0.10 5.49 2.01 -1.14 -4.01 115.64 120.67 3dhw s THR 193 Ca 0.08 -1.01 0.06 0.00 0.31 0.00 0.00 61.69 61.13 3dhw s THR 193 Cb -0.12 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 3dhw s THR 193 CO -0.01 0.56 -0.16 0.27 -0.69 0.00 0.00 174.62 174.59 3dhw s ILE 194 N 0.33 1.38 -0.14 1.82 -4.36 -0.88 -1.97 121.20 117.39 3dhw s ILE 194 Ca -0.18 -1.54 0.02 0.00 -0.26 0.00 0.00 60.65 58.68 3dhw s ILE 194 Cb -0.18 -1.40 0.01 0.00 1.25 0.00 0.00 42.46 42.15 3dhw s ILE 194 CO 0.09 -0.26 -0.19 -0.22 0.24 0.00 0.00 174.94 174.60 3dhw s LEU 195 N -2.08 1.97 0.04 0.37 2.96 0.56 -1.62 118.68 120.87 3dhw s LEU 195 Ca 0.05 -0.55 0.06 0.00 -0.22 0.00 0.00 54.13 53.47 3dhw s LEU 195 Cb -0.08 -1.33 -0.03 0.00 0.50 0.00 0.00 46.19 45.24 3dhw s LEU 195 CO 0.03 0.04 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.74 3dhw s LEU 196 N 0.99 2.80 -0.10 -0.68 2.96 0.44 -0.46 118.68 124.62 3dhw s LEU 196 Ca -0.04 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.56 3dhw s LEU 196 Cb -0.15 -1.63 -0.00 0.00 0.50 0.00 0.00 46.19 44.91 3dhw s LEU 196 CO -0.04 0.26 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.38 3dhw s ILE 197 N -0.97 2.13 0.02 6.68 1.01 -1.03 -0.01 121.20 129.03 3dhw s ILE 197 Ca 0.16 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 3dhw s ILE 197 Cb -0.11 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 3dhw s ILE 197 CO 0.07 0.56 0.01 0.28 0.00 0.00 0.00 174.94 175.85 3dhw s THR 198 N 0.33 0.10 0.22 2.92 -1.32 0.02 -3.08 115.64 114.84 3dhw s THR 198 Ca -0.18 -0.83 -0.07 0.00 -1.21 0.00 0.00 61.69 59.40 3dhw s THR 198 Cb -0.18 -0.29 0.18 0.00 -1.51 0.00 0.00 72.50 70.70 3dhw s THR 198 CO 0.09 -0.45 1.82 -0.74 -2.21 0.00 0.00 174.62 173.12 3dhw h HIS 199 N 4.63 1.22 -4.11 9.09 2.76 -1.91 -3.25 115.15 123.58 3dhw h HIS 199 Ca -0.31 -0.06 -0.15 0.00 -2.20 0.00 0.00 60.37 57.64 3dhw h HIS 199 Cb 1.21 -0.38 -0.16 0.00 1.55 0.00 0.00 27.41 29.63 3dhw h HIS 199 CO 0.64 0.88 -0.69 -1.21 -1.30 0.00 0.00 177.93 176.25 3dhw s GLU 200 N -5.70 0.62 0.42 5.26 2.02 -1.26 -4.69 118.70 115.38 3dhw s GLU 200 Ca -0.13 -1.15 0.09 0.00 0.02 0.00 0.00 54.97 53.80 3dhw s GLU 200 Cb 0.16 0.09 0.89 0.00 0.10 0.00 0.00 34.13 35.38 3dhw s GLU 200 CO 0.83 -0.08 2.04 0.52 0.02 0.00 0.00 175.26 178.59 3dhw h MET 201 N 3.35 0.40 -1.01 1.61 2.86 -1.90 -3.25 114.93 116.98 3dhw h MET 201 Ca -0.34 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.29 3dhw h MET 201 Cb 1.16 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.68 3dhw h MET 201 CO 0.62 0.32 0.66 -0.44 1.06 0.00 0.00 176.91 179.13 3dhw h ASP 202 N 0.40 1.13 -0.77 1.22 3.32 -1.97 2.25 116.42 122.01 3dhw h ASP 202 Ca 0.10 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.14 3dhw h ASP 202 Cb 0.05 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.30 3dhw h ASP 202 CO -0.01 0.79 0.50 0.58 -1.72 0.00 0.00 179.24 179.38 3dhw h VAL 203 N 1.32 1.20 -0.35 -1.35 2.07 -2.01 -0.98 116.25 116.15 3dhw h VAL 203 Ca 0.39 -0.37 -0.14 0.00 0.82 0.00 0.00 66.70 67.41 3dhw h VAL 203 Cb -0.07 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.77 3dhw h VAL 203 CO -0.10 0.19 -0.31 0.58 0.02 0.00 0.00 177.57 177.95 3dhw h VAL 204 N 1.04 1.28 -0.14 2.57 2.07 0.24 -3.36 116.25 119.96 3dhw h VAL 204 Ca 0.28 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 3dhw h VAL 204 Cb -0.11 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3dhw h VAL 204 CO -0.06 0.49 0.05 0.11 0.02 0.00 0.00 177.57 178.18 3dhw h LYS 205 N 0.61 0.21 -0.63 1.57 1.57 0.31 -0.43 116.57 119.78 3dhw h LYS 205 Ca 0.06 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 3dhw h LYS 205 Cb 0.89 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 3dhw h LYS 205 CO 0.08 0.32 0.06 0.00 -0.57 0.00 0.00 179.45 179.34 3dhw h ARG 206 N 0.05 1.08 -0.00 3.15 3.08 -1.33 -3.38 114.38 117.03 3dhw h ARG 206 Ca 0.04 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.78 3dhw h ARG 206 Cb 0.19 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3dhw h ARG 206 CO -0.00 1.02 -0.02 0.44 -1.07 0.00 0.00 179.97 180.34 3dhw n ILE 207 N -4.21 0.00 -2.73 2.04 -5.35 -1.25 -4.97 119.36 102.89 3dhw n ILE 207 Ca 0.03 -0.49 -0.42 0.00 -0.27 0.00 0.00 62.75 61.61 3dhw n ILE 207 Cb 0.32 1.00 -0.03 0.00 -1.74 0.00 0.00 39.64 39.19 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 6.81 0.88 -4.32 0.00 3.45 0.11 -3.44 116.42 119.90 3dhw h ASP 209 Ca -0.41 -0.48 -0.37 0.00 0.43 0.00 0.00 57.03 56.20 3dhw h ASP 209 Cb 1.22 -0.25 -0.19 0.00 -0.56 0.00 0.00 39.33 39.55 3dhw h ASP 209 CO 0.75 1.19 -0.75 0.00 -1.57 0.00 0.00 179.24 178.86 3dhw s VAL 211 N -2.02 0.45 -0.02 0.00 0.11 -0.92 0.57 120.40 118.57 3dhw s VAL 211 Ca 0.04 -0.25 0.07 0.00 -2.93 0.00 0.00 61.98 58.91 3dhw s VAL 211 Cb -0.06 -0.38 -0.02 0.00 -1.53 0.00 0.00 36.38 34.39 3dhw s VAL 211 CO 0.01 0.12 -0.24 0.00 -3.33 0.00 0.00 175.10 171.67 3dhw s ALA 212 N -0.14 2.01 -0.18 1.54 0.00 -0.17 -2.46 121.76 122.36 3dhw s ALA 212 Ca 0.02 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 50.93 3dhw s ALA 212 Cb -0.02 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.60 3dhw s ALA 212 CO -0.00 0.49 -0.16 0.08 0.00 0.00 0.00 175.76 176.18 3dhw s VAL 213 N -0.57 2.46 -0.17 0.00 1.01 -0.92 0.03 120.40 122.24 3dhw s VAL 213 Ca 0.09 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3dhw s VAL 213 Cb -0.09 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.25 3dhw s VAL 213 CO -0.01 0.51 -0.20 -0.63 0.00 0.00 0.00 175.10 174.77 3dhw s ILE 214 N 1.25 2.02 -0.09 2.22 1.01 -1.18 -0.49 121.20 125.93 3dhw s ILE 214 Ca 0.03 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.78 3dhw s ILE 214 Cb -0.14 -1.82 0.01 0.00 0.01 0.00 0.00 42.46 40.53 3dhw s ILE 214 CO -0.08 0.54 -0.16 -0.55 0.00 0.00 0.00 174.94 174.68 3dhw s SER 215 N 1.16 2.32 -1.48 3.58 0.15 -1.17 -4.25 113.70 114.02 3dhw s SER 215 Ca 0.01 -0.41 -0.12 0.00 0.70 0.00 0.00 55.95 56.13 3dhw s SER 215 Cb -0.14 -1.06 0.06 0.00 -1.71 0.00 0.00 66.02 63.18 3dhw s SER 215 CO -0.10 0.06 1.05 0.59 1.20 0.00 0.00 173.24 176.04 3dhw n ASN 216 N 3.88 -5.33 0.00 5.45 3.02 -1.10 -3.05 115.26 118.12 3dhw n ASN 216 Ca -0.21 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 3dhw n ASN 216 Cb 0.52 -4.25 0.00 0.00 -0.61 0.00 0.00 39.78 35.44 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 -1.80 0.50 3.28 7.41 0.00 -1.24 -4.78 105.19 108.56 3dhw n GLY 217 Ca 0.03 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.03 1.14 -0.38 1.61 2.02 -1.17 -1.76 118.70 120.13 3dhw s GLU 218 Ca 0.00 -1.50 -0.15 0.00 0.02 0.00 0.00 54.97 53.35 3dhw s GLU 218 Cb 0.00 -0.76 0.00 0.00 0.10 0.00 0.00 34.13 33.48 3dhw s GLU 218 CO 0.00 0.10 0.30 -0.51 0.02 0.00 0.00 175.26 175.17 3dhw s LEU 219 N -3.21 4.82 0.09 1.80 1.43 -1.26 -3.03 118.68 119.31 3dhw s LEU 219 Ca 0.19 -0.64 -0.23 0.00 -1.03 0.00 0.00 54.13 52.42 3dhw s LEU 219 Cb 0.02 -2.20 -0.14 0.00 0.03 0.00 0.00 46.19 43.90 3dhw s LEU 219 CO 0.03 -0.38 1.74 0.40 0.23 0.00 0.00 176.35 178.37 3dhw h ILE 220 N 5.59 1.00 -3.15 -0.59 1.08 -1.15 -3.45 117.51 116.83 3dhw h ILE 220 Ca -0.29 -0.01 -0.11 0.00 -0.39 0.00 0.00 64.86 64.06 3dhw h ILE 220 Cb 1.13 0.98 -0.19 0.00 -3.07 0.00 0.00 36.82 35.67 3dhw h ILE 220 CO 0.70 0.00 -0.28 -1.61 -0.69 0.00 0.00 178.15 176.27 3dhw s GLU 221 N -6.19 0.70 -0.30 2.37 2.02 -1.25 -4.95 118.70 111.09 3dhw s GLU 221 Ca -0.13 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 54.56 3dhw s GLU 221 Cb 0.06 0.31 0.09 0.00 0.10 0.00 0.00 34.13 34.69 3dhw s GLU 221 CO 0.66 -0.20 0.07 -1.14 0.02 0.00 0.00 175.26 174.67 3dhw s GLN 222 N -1.71 0.94 0.12 1.61 0.74 -1.26 -2.17 119.66 117.93 3dhw s GLN 222 Ca -0.11 -1.19 -0.18 0.00 0.05 0.00 0.00 55.36 53.93 3dhw s GLN 222 Cb -0.04 -2.29 0.04 0.00 1.10 0.00 0.00 33.01 31.82 3dhw s GLN 222 CO 0.02 -0.93 0.45 0.34 -0.55 0.00 0.00 175.29 174.63 3dhw s ASP 223 N 1.47 -0.33 0.59 6.67 -1.08 -1.03 -5.04 116.67 117.92 3dhw s ASP 223 Ca 0.08 -0.19 -0.19 0.00 -0.52 0.00 0.00 52.55 51.73 3dhw s ASP 223 Cb -0.18 0.50 -0.03 0.00 -1.46 0.00 0.00 42.92 41.75 3dhw s ASP 223 CO -0.19 -0.85 1.26 -0.89 0.52 0.00 0.00 175.17 175.01 3dhw s THR 224 N -3.58 2.39 0.23 1.71 2.01 -1.26 -2.18 115.64 114.96 3dhw s THR 224 Ca 0.01 0.25 -0.08 0.00 0.31 0.00 0.00 61.69 62.19 3dhw s THR 224 Cb 0.01 -3.11 0.21 0.00 0.01 0.00 0.00 72.50 69.62 3dhw s THR 224 CO -0.11 -0.04 1.89 0.58 -0.69 0.00 0.00 174.62 176.25 3dhw h VAL 225 N 0.98 1.24 0.00 3.82 2.07 -1.83 -0.46 116.25 122.06 3dhw h VAL 225 Ca -0.51 -0.50 -0.05 0.00 0.82 0.00 0.00 66.70 66.46 3dhw h VAL 225 Cb 1.31 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3dhw h VAL 225 CO 0.55 0.25 -0.26 0.28 0.02 0.00 0.00 177.57 178.41 3dhw h SER 226 N 1.24 0.00 -0.02 0.57 0.02 -1.84 -2.89 113.55 110.63 3dhw h SER 226 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3dhw h SER 226 Cb -0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.45 3dhw h SER 226 CO -0.06 0.26 0.00 -0.62 -1.14 0.00 0.00 176.83 175.26 3dhw n GLU 227 N -3.56 1.66 -3.88 3.45 1.02 -0.32 -4.85 120.64 114.15 3dhw n GLU 227 Ca -0.01 -0.96 -0.35 0.00 -0.02 0.00 0.00 57.16 55.83 3dhw n GLU 227 Cb 0.40 -1.48 -0.14 0.00 -0.02 0.00 0.00 31.44 30.20 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 -2.00 3.52 0.00 2.62 1.01 -0.42 -4.78 120.40 120.36 3dhw s VAL 228 Ca 0.38 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3dhw s VAL 228 Cb 0.21 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.98 3dhw s VAL 228 CO 0.34 0.41 0.61 0.49 0.00 0.00 0.00 175.10 176.94 3dhw n PHE 229 N 4.82 0.00 0.00 5.22 3.01 -1.26 -4.96 117.46 124.28 3dhw n PHE 229 Ca -0.18 -0.23 0.00 0.00 1.01 0.00 0.00 57.45 58.06 3dhw n PHE 229 Cb 0.51 0.35 0.00 0.00 -0.01 0.00 0.00 39.48 40.33 3dhw n PHE 229 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3dhw n SER 230 N 0.00 0.00 -4.77 4.37 7.64 -1.26 -5.04 113.62 114.56 3dhw n SER 230 Ca -0.13 0.02 -0.33 0.00 1.01 0.00 0.00 58.87 59.44 3dhw n SER 230 Cb 0.51 -0.03 0.05 0.00 -1.01 0.00 0.00 64.21 63.73 3dhw n SER 230 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3dhw s HIS 231 N -0.06 2.62 -0.47 1.43 3.76 -1.26 -4.86 115.29 116.46 3dhw s HIS 231 Ca 0.00 1.55 0.00 0.00 -0.15 0.00 0.00 55.06 56.46 3dhw s HIS 231 Cb 0.00 -3.15 0.00 0.00 1.11 0.00 0.00 32.58 30.54 3dhw s HIS 231 CO 0.00 -1.70 0.00 -2.30 -0.85 0.00 0.00 174.74 169.89 3dhw n PRO 232 N -2.58 0.00 -0.00 8.40 -0.02 -1.26 -2.04 135.00 137.50 3dhw n PRO 232 Ca 0.10 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.72 3dhw n PRO 232 Cb 0.52 -0.97 0.47 0.00 -0.02 0.00 0.00 33.50 33.50 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 -0.10 1.75 -0.14 -0.52 2.85 -1.26 -4.40 118.16 116.34 3dhw n LYS 233 Ca 0.00 -1.09 -0.04 0.00 -1.05 0.00 0.00 58.31 56.13 3dhw n LYS 233 Cb 0.00 -1.48 0.02 0.00 -0.65 0.00 0.00 35.03 32.93 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 2.66 0.55 0.00 0.58 2.02 -1.76 -3.36 112.91 113.60 3dhw h THR 234 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3dhw h THR 234 Cb 0.56 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 3dhw h THR 234 CO 0.00 0.00 0.00 -2.65 0.37 0.00 0.00 175.52 173.24 3dhw n PRO 235 N -5.33 0.00 -0.28 6.66 -0.02 -1.26 0.16 135.00 134.93 3dhw n PRO 235 Ca 0.03 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.45 3dhw n PRO 235 Cb 0.24 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 33.79 3dhw n PRO 235 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3dhw h LEU 236 N 0.00 1.09 -0.27 2.45 4.07 -1.96 -3.08 115.31 117.61 3dhw h LEU 236 Ca 0.00 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.77 3dhw h LEU 236 Cb 0.00 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.46 3dhw h LEU 236 CO 0.00 0.99 0.09 0.00 -1.08 0.00 0.00 178.44 178.43 3dhw n ALA 237 N -2.44 0.85 -0.35 1.53 0.00 0.43 -2.34 120.51 118.18 3dhw n ALA 237 Ca 0.07 0.04 -0.03 0.00 0.00 0.00 0.00 53.44 53.51 3dhw n ALA 237 Cb 0.21 -0.90 0.10 0.00 0.00 0.00 0.00 19.45 18.85 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 0.00 1.26 -6.77 0.00 1.08 -1.65 -3.42 115.11 105.62 3dhw h GLN 238 Ca 0.00 -0.10 -0.53 0.00 -1.45 0.00 0.00 58.65 56.58 3dhw h GLN 238 Cb 0.17 -0.27 0.06 0.00 -0.05 0.00 0.00 27.48 27.39 3dhw h GLN 238 CO 0.00 0.86 0.76 0.21 -0.95 0.00 0.00 178.83 179.71 3dhw s LYS 239 N -6.03 4.26 -0.01 1.46 2.20 -0.99 -4.23 119.74 116.39 3dhw s LYS 239 Ca -0.13 2.32 -0.29 0.00 -0.36 0.00 0.00 55.97 57.51 3dhw s LYS 239 Cb 0.17 -3.10 0.10 0.00 -1.51 0.00 0.00 37.83 33.50 3dhw s LYS 239 CO 0.82 -0.42 1.29 0.12 -0.36 0.00 0.00 175.35 176.79 3dhw s PHE 240 N -0.12 0.01 0.26 4.03 5.36 -1.26 -4.83 117.98 121.41 3dhw s PHE 240 Ca 0.59 -0.12 -0.05 0.00 -0.96 0.00 0.00 56.93 56.38 3dhw s PHE 240 Cb -0.42 0.56 0.29 0.00 -0.34 0.00 0.00 43.02 43.10 3dhw s PHE 240 CO 0.45 -0.28 1.93 -0.84 -1.46 0.00 0.00 175.22 175.02 3dhw h ILE 241 N 2.00 1.25 -1.00 3.12 -0.00 -1.92 0.17 117.51 121.12 3dhw h ILE 241 Ca -0.25 -0.48 0.02 0.00 -0.00 0.00 0.00 64.86 64.15 3dhw h ILE 241 Cb 1.19 -0.16 -0.05 0.00 -0.00 0.00 0.00 36.82 37.80 3dhw h ILE 241 CO 0.31 0.25 0.66 -0.61 -0.00 0.00 0.00 178.15 178.75 3dhw h GLN 242 N 1.32 1.28 0.00 0.16 4.15 -1.90 -3.27 115.11 116.85 3dhw h GLN 242 Ca 0.35 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.70 3dhw h GLN 242 Cb -0.13 -0.29 0.00 0.00 0.21 0.00 0.00 27.48 27.27 3dhw h GLN 242 CO -0.07 0.85 0.17 -1.13 -1.93 0.00 0.00 178.83 176.71 3dhw n SER 243 N -4.40 0.00 -0.57 -0.69 3.41 0.58 0.19 113.62 112.13 3dhw n SER 243 Ca 0.13 0.06 0.13 0.00 -0.26 0.00 0.00 58.87 58.92 3dhw n SER 243 Cb 0.04 -0.06 0.27 0.00 -0.26 0.00 0.00 64.21 64.20 3dhw n SER 243 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3dhw n THR 244 N -0.86 0.00 -0.10 6.66 -2.24 -1.24 -4.20 114.28 112.30 3dhw n THR 244 Ca 0.00 -0.30 -0.21 0.00 -2.27 0.00 0.00 64.05 61.28 3dhw n THR 244 Cb 0.17 0.91 -0.12 0.00 -2.10 0.00 0.00 70.33 69.19 3dhw n THR 244 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3dhw h LEU 245 N 2.78 0.00 -0.35 3.22 4.07 0.18 -3.39 115.31 121.81 3dhw h LEU 245 Ca 0.00 -0.57 -0.17 0.00 0.08 0.00 0.00 57.88 57.22 3dhw h LEU 245 Cb 0.69 -0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.43 3dhw h LEU 245 CO 0.00 1.44 -0.46 1.12 -1.08 0.00 0.00 178.44 179.46 3dhw h HIS 246 N -0.99 1.12 -0.04 1.13 2.07 -1.77 -2.62 115.15 114.05 3dhw h HIS 246 Ca -0.31 -0.36 -0.00 0.00 -2.85 0.00 0.00 60.37 56.85 3dhw h HIS 246 Cb 1.27 -0.22 -0.00 0.00 2.57 0.00 0.00 27.41 31.03 3dhw h HIS 246 CO 0.12 1.19 0.02 -0.07 -3.07 0.00 0.00 177.93 176.13 3dhw h LEU 247 N 0.72 0.05 -6.40 6.12 4.07 -1.83 -3.42 115.31 114.63 3dhw h LEU 247 Ca 0.04 -0.09 -0.21 0.00 0.08 0.00 0.00 57.88 57.70 3dhw h LEU 247 Cb 1.06 -0.01 -0.30 0.00 1.08 0.00 0.00 40.66 42.49 3dhw h LEU 247 CO 0.11 0.13 -0.54 -1.81 -1.08 0.00 0.00 178.44 175.25 3dhw s ASP 248 N -5.33 0.62 0.13 -0.43 1.01 -1.26 -5.02 116.67 106.39 3dhw s ASP 248 Ca -0.14 -0.29 -0.20 0.00 0.71 0.00 0.00 52.55 52.64 3dhw s ASP 248 Cb 0.06 0.98 -0.02 0.00 1.01 0.00 0.00 42.92 44.94 3dhw s ASP 248 CO 0.67 -0.35 1.71 -0.29 0.21 0.00 0.00 175.17 177.12 3dhw h ILE 249 N 6.19 0.80 -1.89 0.77 2.10 -1.67 -3.41 117.51 120.40 3dhw h ILE 249 Ca -0.13 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.81 3dhw h ILE 249 Cb 1.12 0.79 0.00 0.00 -1.09 0.00 0.00 36.82 37.64 3dhw h ILE 249 CO 0.28 0.00 0.00 -0.81 -1.08 0.00 0.00 178.15 176.54 3dhw n PRO 250 N -5.19 0.00 -0.05 2.19 -0.04 -1.26 -4.74 135.00 125.90 3dhw n PRO 250 Ca -0.02 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.44 3dhw n PRO 250 Cb 0.13 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.44 3dhw n PRO 250 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3dhw n GLU 251 N 0.00 0.88 -0.00 0.54 1.02 -1.26 -4.69 120.64 117.13 3dhw n GLU 251 Ca 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 3dhw n GLU 251 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 3dhw n GLU 251 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3dhw n ASP 252 N -2.42 1.81 0.05 1.62 3.85 -1.26 -4.73 116.55 115.47 3dhw n ASP 252 Ca -0.17 -1.91 0.13 0.00 -0.71 0.00 0.00 54.79 52.13 3dhw n ASP 252 Cb 0.80 -0.00 0.42 0.00 -1.35 0.00 0.00 41.12 40.99 3dhw n ASP 252 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 3dhw n TYR 253 N -0.45 0.43 -0.32 2.11 0.53 -1.26 -4.00 117.16 114.20 3dhw n TYR 253 Ca 0.00 0.13 -0.03 0.00 -1.02 0.00 0.00 57.90 56.97 3dhw n TYR 253 Cb 0.27 -0.66 0.08 0.00 -1.03 0.00 0.00 39.34 38.01 3dhw n TYR 253 CO 0.00 0.00 0.00 1.96 -1.02 0.00 0.00 176.86 177.80 3dhw h GLN 254 N 0.00 1.14 -0.02 -0.72 4.20 -1.89 -1.77 115.11 116.05 3dhw h GLN 254 Ca 0.00 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.53 3dhw h GLN 254 Cb 0.63 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 3dhw h GLN 254 CO 0.00 0.76 -0.49 1.05 -0.67 0.00 0.00 178.83 179.49 3dhw h GLU 255 N 1.18 0.04 -3.46 1.46 4.11 -1.95 -3.34 114.58 112.61 3dhw h GLU 255 Ca 0.32 -0.02 -0.76 0.00 0.07 0.00 0.00 59.36 58.96 3dhw h GLU 255 Cb -0.12 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 28.95 3dhw h GLU 255 CO -0.07 0.52 1.82 0.54 0.07 0.00 0.00 179.01 181.89 3dhw n ARG 256 N -3.96 3.74 -2.68 1.06 1.74 -0.67 -4.63 116.66 111.26 3dhw n ARG 256 Ca -0.02 -3.69 -0.05 0.00 -0.77 0.00 0.00 57.85 53.32 3dhw n ARG 256 Cb 0.51 -2.87 0.09 0.00 -1.02 0.00 0.00 32.46 29.17 3dhw n ARG 256 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3dhw n LEU 257 N 3.55 -1.57 -4.77 0.55 7.94 -1.23 -4.48 117.00 116.98 3dhw n LEU 257 Ca 0.38 -2.47 -0.40 0.00 -1.11 0.00 0.00 56.01 52.40 3dhw n LEU 257 Cb 0.36 0.90 0.01 0.00 0.53 0.00 0.00 43.42 45.21 3dhw n LEU 257 CO 0.80 1.69 1.10 -1.10 -1.11 0.00 0.00 177.39 178.77 3dhw s GLN 258 N 0.12 3.90 0.25 1.96 -1.52 -1.17 -4.29 119.66 118.91 3dhw s GLN 258 Ca 0.19 2.49 -0.06 0.00 -1.95 0.00 0.00 55.36 56.03 3dhw s GLN 258 Cb 0.27 -2.81 0.27 0.00 -0.22 0.00 0.00 33.01 30.52 3dhw s GLN 258 CO -0.13 -0.67 1.92 0.00 -0.25 0.00 0.00 175.29 176.16 3dhw h ALA 259 N 2.67 1.27 -2.25 6.09 0.00 -1.92 -3.13 119.26 121.99 3dhw h ALA 259 Ca -0.51 -0.07 -0.45 0.00 0.00 0.00 0.00 54.91 53.88 3dhw h ALA 259 Cb 1.25 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3dhw h ALA 259 CO 0.63 0.64 0.35 -1.21 0.00 0.00 0.00 179.25 179.65 3dhw s GLU 260 N -6.12 4.38 0.78 0.00 2.02 -1.26 -4.81 118.70 113.69 3dhw s GLU 260 Ca -0.13 1.23 -0.08 0.00 0.02 0.00 0.00 54.97 56.01 3dhw s GLU 260 Cb 0.18 -2.47 0.11 0.00 0.10 0.00 0.00 34.13 32.06 3dhw s GLU 260 CO 0.82 0.10 1.10 -1.25 0.02 0.00 0.00 175.26 176.05 3dhw s PRO 261 N -2.66 1.67 0.13 0.39 0.04 -1.26 -4.76 135.00 128.55 3dhw s PRO 261 Ca 0.57 -0.45 -0.17 0.00 0.04 0.00 0.00 61.00 60.99 3dhw s PRO 261 Cb -0.14 -2.11 0.04 0.00 0.04 0.00 0.00 34.50 32.34 3dhw s PRO 261 CO 0.18 -1.61 0.42 -0.59 0.04 0.00 0.00 177.00 175.44 3dhw s PHE 262 N -3.41 -0.23 0.38 0.56 -0.12 -1.26 -5.13 117.98 108.77 3dhw s PHE 262 Ca 0.65 -0.08 -0.28 0.00 -0.05 0.00 0.00 56.93 57.17 3dhw s PHE 262 Cb -0.08 0.29 -0.11 0.00 -0.63 0.00 0.00 43.02 42.49 3dhw s PHE 262 CO 0.47 -0.72 1.50 0.99 -0.05 0.00 0.00 175.22 177.41 3dhw s THR 263 N -3.80 2.01 -1.14 -4.49 2.01 -1.26 -2.92 115.64 106.06 3dhw s THR 263 Ca 0.03 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.02 3dhw s THR 263 Cb 0.02 -3.01 -0.02 0.00 0.01 0.00 0.00 72.50 69.50 3dhw s THR 263 CO -0.12 0.00 0.96 0.47 -0.69 0.00 0.00 174.62 175.24 3dhw n ASP 264 N 0.43 -3.33 -4.66 3.53 8.00 -1.26 -5.03 116.55 114.23 3dhw n ASP 264 Ca 0.01 -0.63 -0.24 0.00 0.71 0.00 0.00 54.79 54.64 3dhw n ASP 264 Cb 0.39 -5.07 -0.08 0.00 -0.02 0.00 0.00 41.12 36.34 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 -2.48 2.57 0.03 0.00 1.01 -1.26 -5.01 120.40 115.25 3dhw s VAL 266 Ca 0.35 -1.45 -0.30 0.00 0.00 0.00 0.00 61.98 60.58 3dhw s VAL 266 Cb -0.01 -2.46 -0.06 0.00 0.00 0.00 0.00 36.38 33.85 3dhw s VAL 266 CO 0.20 -0.02 1.33 -2.16 0.00 0.00 0.00 175.10 174.45 3dhw s PRO 267 N 1.19 4.33 -0.10 2.72 0.04 -1.26 0.10 135.00 142.03 3dhw s PRO 267 Ca -0.06 1.90 -0.03 0.00 0.04 0.00 0.00 61.00 62.85 3dhw s PRO 267 Cb -0.19 -3.46 -0.04 0.00 0.04 0.00 0.00 34.50 30.85 3dhw s PRO 267 CO -0.04 -0.46 0.04 1.41 0.04 0.00 0.00 177.00 178.00 3dhw s MET 268 N 1.84 3.14 0.10 4.56 1.75 0.16 0.03 119.30 130.87 3dhw s MET 268 Ca 0.62 -0.33 0.08 0.00 -1.25 0.00 0.00 55.69 54.81 3dhw s MET 268 Cb -0.31 -2.92 -0.03 0.00 2.84 0.00 0.00 34.83 34.41 3dhw s MET 268 CO 0.27 0.72 -0.20 -0.51 -0.65 0.00 0.00 175.02 174.64 3dhw s LEU 269 N -0.90 2.30 -0.31 4.11 1.43 0.28 -1.10 118.68 124.49 3dhw s LEU 269 Ca 0.14 -0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 52.55 3dhw s LEU 269 Cb -0.12 -0.85 0.06 0.00 0.03 0.00 0.00 46.19 45.32 3dhw s LEU 269 CO 0.03 0.04 0.00 -0.60 0.23 0.00 0.00 176.35 176.05 3dhw s ARG 270 N -1.90 2.28 -0.26 1.70 3.52 -0.27 -2.35 118.95 121.67 3dhw s ARG 270 Ca 0.06 -1.38 -0.11 0.00 -0.13 0.00 0.00 55.73 54.17 3dhw s ARG 270 Cb -0.10 -3.16 -0.05 0.00 -1.56 0.00 0.00 34.95 30.08 3dhw s ARG 270 CO 0.04 -0.68 0.18 -0.51 -0.81 0.00 0.00 175.30 173.52 3dhw s LEU 271 N 1.19 4.07 -0.13 -0.88 1.43 -0.97 -3.05 118.68 120.34 3dhw s LEU 271 Ca -0.04 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 3dhw s LEU 271 Cb -0.20 -2.11 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 3dhw s LEU 271 CO -0.03 0.01 -0.13 -0.70 0.23 0.00 0.00 176.35 175.73 3dhw s GLU 272 N 1.41 3.35 0.16 1.70 2.12 -1.06 -3.21 118.70 123.16 3dhw s GLU 272 Ca 0.07 -0.69 0.06 0.00 0.36 0.00 0.00 54.97 54.77 3dhw s GLU 272 Cb -0.15 -2.61 -0.04 0.00 0.26 0.00 0.00 34.13 31.59 3dhw s GLU 272 CO 0.08 0.23 0.03 -0.06 -0.54 0.00 0.00 175.26 175.00 3dhw s PHE 273 N 0.31 2.94 0.31 5.30 0.08 -1.15 -1.32 117.98 124.46 3dhw s PHE 273 Ca -0.10 -0.09 0.03 0.00 0.12 0.00 0.00 56.93 56.89 3dhw s PHE 273 Cb -0.16 -1.44 -0.06 0.00 -0.57 0.00 0.00 43.02 40.79 3dhw s PHE 273 CO 0.06 0.51 0.07 0.95 -0.10 0.00 0.00 175.22 176.71 3dhw s THR 274 N -1.67 1.05 0.03 0.64 -4.23 -1.26 -4.55 115.64 105.65 3dhw s THR 274 Ca 0.28 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.49 3dhw s THR 274 Cb -0.10 -2.76 -0.15 0.00 1.34 0.00 0.00 72.50 70.83 3dhw s THR 274 CO 0.20 0.00 0.77 0.61 -0.54 0.00 0.00 174.62 175.65 3dhw n GLY 275 N -0.64 -0.41 3.26 3.99 0.00 -1.26 -4.95 105.19 105.18 3dhw n GLY 275 Ca -0.02 0.54 -0.12 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.13 1.30 0.84 1.61 -0.21 -1.26 -5.03 119.66 116.78 3dhw s GLN 276 Ca 0.68 -1.62 -0.12 0.00 0.02 0.00 0.00 55.36 54.31 3dhw s GLN 276 Cb -0.95 0.30 0.11 0.00 1.00 0.00 0.00 33.01 33.47 3dhw s GLN 276 CO 0.45 -0.45 1.20 0.45 -2.12 0.00 0.00 175.29 174.81 3dhw s SER 277 N -3.16 4.14 0.25 5.90 0.15 -1.26 -4.96 113.70 114.75 3dhw s SER 277 Ca 0.37 0.57 -0.06 0.00 0.70 0.00 0.00 55.95 57.53 3dhw s SER 277 Cb 0.06 -0.95 0.26 0.00 -1.71 0.00 0.00 66.02 63.68 3dhw s SER 277 CO 0.13 -2.11 1.93 0.58 1.20 0.00 0.00 173.24 174.97 3dhw h VAL 278 N -1.16 1.25 -3.08 4.45 2.07 -2.05 -3.40 116.25 114.34 3dhw h VAL 278 Ca -0.45 -0.46 -0.60 0.00 0.82 0.00 0.00 66.70 66.00 3dhw h VAL 278 Cb 1.30 -0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 3dhw h VAL 278 CO 0.57 0.25 -0.21 -1.81 0.02 0.00 0.00 177.57 176.38 3dhw s ASP 279 N -6.10 6.75 -0.50 0.57 1.01 -1.26 -5.05 116.67 112.08 3dhw s ASP 279 Ca -0.13 0.89 0.05 0.00 0.71 0.00 0.00 52.55 54.07 3dhw s ASP 279 Cb 0.18 -2.25 0.20 0.00 1.01 0.00 0.00 42.92 42.06 3dhw s ASP 279 CO 0.82 0.26 0.46 0.00 0.21 0.00 0.00 175.17 176.92 3dhw n ALA 280 N 2.25 3.05 0.40 5.23 0.00 -1.26 -4.97 120.51 125.21 3dhw n ALA 280 Ca -0.13 -3.70 0.00 0.00 0.00 0.00 0.00 53.44 49.61 3dhw n ALA 280 Cb 0.52 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.13 3dhw n ALA 280 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3dhw n PRO 281 N 2.10 0.70 -0.37 0.00 -0.04 -1.26 -4.17 135.00 131.95 3dhw n PRO 281 Ca 0.26 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.70 3dhw n PRO 281 Cb 0.45 -1.15 0.11 0.00 -0.04 0.00 0.00 33.50 32.87 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 1.87 1.14 -0.61 1.53 3.38 -1.99 0.21 115.31 120.83 3dhw h LEU 282 Ca 0.00 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 3dhw h LEU 282 Cb 0.70 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3dhw h LEU 282 CO 0.00 0.82 -0.02 -0.07 0.09 0.00 0.00 178.44 179.26 3dhw h LEU 283 N 1.34 1.06 0.00 1.67 3.38 -2.04 -3.16 115.31 117.57 3dhw h LEU 283 Ca 0.36 -0.31 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 3dhw h LEU 283 Cb -0.15 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.29 3dhw h LEU 283 CO -0.08 1.12 -0.95 0.28 0.09 0.00 0.00 178.44 178.89 3dhw h SER 284 N 0.98 0.00 -0.31 -0.43 0.02 -1.87 -3.36 113.55 108.58 3dhw h SER 284 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3dhw h SER 284 Cb 0.58 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 3dhw h SER 284 CO 0.03 0.52 0.21 -0.08 -1.14 0.00 0.00 176.83 176.37 3dhw h GLU 285 N 0.00 0.41 0.00 3.45 4.57 -0.55 -2.73 114.58 119.73 3dhw h GLU 285 Ca -0.08 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.04 3dhw h GLU 285 Cb 1.46 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.96 3dhw h GLU 285 CO 0.05 0.27 -0.19 1.79 -1.18 0.00 0.00 179.01 179.76 3dhw h THR 286 N 0.42 0.46 0.44 0.32 1.35 -1.76 -2.99 112.91 111.16 3dhw h THR 286 Ca 0.11 -1.03 -0.02 0.00 -0.55 0.00 0.00 66.41 64.92 3dhw h THR 286 Cb -0.05 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 3dhw h THR 286 CO -0.03 0.18 -0.21 0.00 -0.25 0.00 0.00 175.52 175.21 3dhw h ALA 287 N 1.81 -0.60 -0.33 6.62 0.00 -1.63 -1.34 119.26 123.80 3dhw h ALA 287 Ca -0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 3dhw h ALA 287 Cb 0.72 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3dhw h ALA 287 CO 0.02 -0.75 -0.35 0.00 0.00 0.00 0.00 179.25 178.17 3dhw h ARG 288 N -0.76 0.81 -0.36 0.00 3.08 -1.61 -2.66 114.38 112.88 3dhw h ARG 288 Ca -0.06 -0.44 -0.15 0.00 0.07 0.00 0.00 59.98 59.40 3dhw h ARG 288 Cb 0.53 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 3dhw h ARG 288 CO 0.10 1.07 -0.35 0.00 -1.07 0.00 0.00 179.97 179.72 3dhw h ARG 289 N 0.59 0.88 -0.05 0.04 3.08 -1.61 -3.36 114.38 113.94 3dhw h ARG 289 Ca 0.05 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3dhw h ARG 289 Cb 0.93 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.00 3dhw h ARG 289 CO 0.09 1.11 0.00 1.19 -1.07 0.00 0.00 179.97 181.28 3dhw n PHE 290 N -4.12 0.06 -3.88 3.04 3.72 -0.51 -5.04 117.46 110.74 3dhw n PHE 290 Ca -0.03 -0.09 -0.24 0.00 -0.05 0.00 0.00 57.45 57.04 3dhw n PHE 290 Cb 0.52 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 39.05 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 0.41 -0.58 -4.39 4.37 2.85 -1.00 -4.83 115.26 112.09 3dhw n ASN 291 Ca 0.05 -0.95 -0.32 0.00 -0.11 0.00 0.00 54.58 53.25 3dhw n ASN 291 Cb 0.23 -3.34 -0.15 0.00 1.24 0.00 0.00 39.78 37.77 3dhw n ASN 291 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 3dhw s VAL 292 N -3.87 2.55 0.34 3.44 -7.23 -1.26 -4.89 120.40 109.49 3dhw s VAL 292 Ca 0.01 -0.92 -0.25 0.00 -1.81 0.00 0.00 61.98 59.01 3dhw s VAL 292 Cb -0.01 -1.95 -0.10 0.00 0.56 0.00 0.00 36.38 34.88 3dhw s VAL 292 CO 0.87 0.58 0.95 0.20 -0.31 0.00 0.00 175.10 177.39 3dhw s ASN 293 N -0.62 7.27 0.01 4.85 0.01 -1.22 -4.52 114.94 120.72 3dhw s ASN 293 Ca 0.09 1.82 0.04 0.00 -0.71 0.00 0.00 52.86 54.11 3dhw s ASN 293 Cb -0.11 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 38.97 3dhw s ASN 293 CO 0.00 -0.12 -0.13 0.20 -1.51 0.00 0.00 177.10 175.54 3dhw s ASN 294 N -1.70 1.56 -0.01 -1.22 0.01 -1.26 -2.71 114.94 109.61 3dhw s ASN 294 Ca 0.52 -0.31 0.05 0.00 -0.71 0.00 0.00 52.86 52.41 3dhw s ASN 294 Cb -0.17 -0.15 -0.01 0.00 0.41 0.00 0.00 41.25 41.33 3dhw s ASN 294 CO 0.22 0.12 -0.16 0.20 -1.51 0.00 0.00 177.10 175.97 3dhw s ASN 295 N -0.57 1.86 -0.19 -1.22 -0.87 -1.25 -5.05 114.94 107.65 3dhw s ASN 295 Ca 0.04 -0.29 0.01 0.00 -1.57 0.00 0.00 52.86 51.05 3dhw s ASN 295 Cb -0.06 -0.22 0.02 0.00 -0.02 0.00 0.00 41.25 40.97 3dhw s ASN 295 CO 0.00 0.19 -0.19 -0.63 -2.57 0.00 0.00 177.10 173.90 3dhw s ILE 296 N -0.35 2.08 0.14 0.60 -1.09 -1.26 -3.39 121.20 117.93 3dhw s ILE 296 Ca 0.06 -1.01 -0.11 0.00 -2.23 0.00 0.00 60.65 57.36 3dhw s ILE 296 Cb -0.06 -1.91 -0.05 0.00 -1.58 0.00 0.00 42.46 38.86 3dhw s ILE 296 CO -0.01 0.48 1.47 0.40 -1.23 0.00 0.00 174.94 176.05 3dhw h ILE 297 N 6.02 1.27 -3.39 2.92 2.04 -1.78 -3.48 117.51 121.12 3dhw h ILE 297 Ca -0.43 -1.55 -0.05 0.00 1.00 0.00 0.00 64.86 63.82 3dhw h ILE 297 Cb 1.13 1.41 -0.13 0.00 -0.74 0.00 0.00 36.82 38.49 3dhw h ILE 297 CO 0.62 0.52 -0.08 -0.94 0.00 0.00 0.00 178.15 178.27 3dhw s SER 298 N -6.81 -0.23 0.00 1.72 1.04 -1.06 -4.95 113.70 103.42 3dhw s SER 298 Ca -0.11 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.01 3dhw s SER 298 Cb 0.11 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.70 3dhw s SER 298 CO 0.88 -0.84 0.00 0.00 0.98 0.00 0.00 173.24 174.25 3dhw n ALA 299 N -0.20 0.00 -2.63 5.32 0.00 -1.25 0.16 120.51 121.91 3dhw n ALA 299 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.07 3dhw n ALA 299 Cb 0.64 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.95 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 0.97 -0.03 0.00 -1.52 0.86 -4.92 119.66 115.02 3dhw s GLN 300 Ca 0.00 -0.71 0.06 0.00 -1.95 0.00 0.00 55.36 52.77 3dhw s GLN 300 Cb 0.00 -0.97 -0.01 0.00 -0.22 0.00 0.00 33.01 31.80 3dhw s GLN 300 CO 0.00 0.25 -0.22 -1.64 -0.25 0.00 0.00 175.29 173.43 3dhw s MET 301 N -0.98 1.93 0.16 2.91 -1.94 -1.26 -1.90 119.30 118.21 3dhw s MET 301 Ca 0.02 -0.79 -0.23 0.00 -1.71 0.00 0.00 55.69 52.98 3dhw s MET 301 Cb -0.07 -1.79 0.07 0.00 2.01 0.00 0.00 34.83 35.05 3dhw s MET 301 CO 0.01 0.43 0.61 0.34 -0.01 0.00 0.00 175.02 176.39 3dhw s ASP 302 N -0.38 -0.57 -0.27 3.03 3.68 -1.26 -4.97 116.67 115.93 3dhw s ASP 302 Ca 0.05 0.01 -0.10 0.00 2.13 0.00 0.00 52.55 54.63 3dhw s ASP 302 Cb -0.10 0.60 -0.05 0.00 -1.45 0.00 0.00 42.92 41.92 3dhw s ASP 302 CO 0.00 -0.96 0.17 -0.31 0.13 0.00 0.00 175.17 174.20 3dhw s TYR 303 N -3.71 3.21 -0.08 -5.34 1.51 -1.26 -2.84 117.35 108.84 3dhw s TYR 303 Ca 0.01 0.05 0.04 0.00 -1.01 0.00 0.00 57.07 56.16 3dhw s TYR 303 Cb -0.01 -2.34 0.00 0.00 -0.11 0.00 0.00 41.96 39.50 3dhw s TYR 303 CO -0.13 -0.15 -0.21 0.00 -1.11 0.00 0.00 175.55 173.95 3dhw s ALA 304 N 1.61 1.95 0.00 3.71 0.00 -0.94 -4.61 121.76 123.48 3dhw s ALA 304 Ca 0.07 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.17 3dhw s ALA 304 Cb -0.15 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.24 3dhw s ALA 304 CO 0.09 0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.53 3dhw n GLY 305 N 3.46 0.50 1.40 0.00 0.00 -1.26 -2.83 105.19 106.45 3dhw n GLY 305 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.60 1.13 3.27 -0.02 0.00 -1.26 -4.72 105.19 100.99 3dhw n GLY 306 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.65 1.36 0.36 1.61 -7.23 -1.13 -5.08 120.40 107.64 3dhw s VAL 307 Ca 0.00 -2.03 -0.28 0.00 -1.81 0.00 0.00 61.98 57.86 3dhw s VAL 307 Cb 0.00 -1.83 -0.11 0.00 0.56 0.00 0.00 36.38 35.00 3dhw s VAL 307 CO 0.00 -0.64 1.43 -0.54 -0.31 0.00 0.00 175.10 175.05 3dhw s LYS 308 N -3.49 4.19 -0.32 4.82 1.02 -1.26 -2.22 119.74 122.47 3dhw s LYS 308 Ca 0.17 2.46 0.14 0.00 0.02 0.00 0.00 55.97 58.76 3dhw s LYS 308 Cb 0.00 -3.00 0.47 0.00 -0.52 0.00 0.00 37.83 34.78 3dhw s LYS 308 CO 0.03 -0.43 1.08 1.19 -0.92 0.00 0.00 175.35 176.30 3dhw n PHE 309 N 0.61 2.01 -2.54 3.18 3.72 -1.13 -4.20 117.46 119.11 3dhw n PHE 309 Ca 0.01 -2.53 -0.42 0.00 -0.05 0.00 0.00 57.45 54.46 3dhw n PHE 309 Cb 0.40 -0.26 -0.03 0.00 -0.94 0.00 0.00 39.48 38.64 3dhw n PHE 309 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3dhw s GLY 310 N -3.52 2.71 -0.16 1.37 0.00 -1.26 -4.60 107.32 101.86 3dhw s GLY 310 Ca 0.37 0.75 0.02 0.00 0.00 0.00 0.00 44.72 45.86 3dhw s GLY 310 CO -0.03 1.79 -0.21 -0.42 0.00 0.00 0.00 173.10 174.23 3dhw s ILE 311 N 0.50 2.04 -0.10 0.90 1.09 -0.80 -2.92 121.20 121.92 3dhw s ILE 311 Ca 0.53 -0.95 0.04 0.00 -1.10 0.00 0.00 60.65 59.17 3dhw s ILE 311 Cb -0.27 -1.83 0.00 0.00 -1.06 0.00 0.00 42.46 39.30 3dhw s ILE 311 CO 0.31 0.54 -0.22 -0.32 -0.10 0.00 0.00 174.94 175.15 3dhw s MET 312 N 1.04 2.85 -0.17 2.79 1.75 -1.20 -0.10 119.30 126.26 3dhw s MET 312 Ca -0.01 -0.81 -0.04 0.00 -1.25 0.00 0.00 55.69 53.58 3dhw s MET 312 Cb -0.14 -2.18 -0.02 0.00 2.84 0.00 0.00 34.83 35.32 3dhw s MET 312 CO -0.07 0.14 -0.04 -0.51 -0.65 0.00 0.00 175.02 173.89 3dhw s LEU 313 N 0.44 3.18 0.05 4.11 1.43 0.42 -2.28 118.68 126.03 3dhw s LEU 313 Ca -0.17 -0.18 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 3dhw s LEU 313 Cb -0.17 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 3dhw s LEU 313 CO 0.07 0.13 0.09 0.28 0.23 0.00 0.00 176.35 177.16 3dhw s THR 314 N 0.57 0.15 -0.06 5.49 -1.32 -0.99 -1.97 115.64 117.50 3dhw s THR 314 Ca -0.03 -1.23 -0.02 0.00 -1.21 0.00 0.00 61.69 59.20 3dhw s THR 314 Cb -0.14 -1.08 -0.04 0.00 -1.51 0.00 0.00 72.50 69.73 3dhw s THR 314 CO 0.03 -0.68 0.06 -1.61 -2.21 0.00 0.00 174.62 170.21 3dhw s GLU 315 N -3.05 3.09 -0.27 7.08 2.02 -1.22 0.10 118.70 126.45 3dhw s GLU 315 Ca -0.01 -0.39 0.01 0.00 0.02 0.00 0.00 54.97 54.60 3dhw s GLU 315 Cb 0.01 -2.89 0.06 0.00 0.10 0.00 0.00 34.13 31.41 3dhw s GLU 315 CO -0.07 0.69 -0.07 1.41 0.02 0.00 0.00 175.26 177.24 3dhw s MET 316 N -1.25 2.31 0.76 1.61 1.75 0.10 -3.95 119.30 120.64 3dhw s MET 316 Ca 0.17 -1.32 -0.11 0.00 -1.25 0.00 0.00 55.69 53.18 3dhw s MET 316 Cb -0.12 -2.98 0.05 0.00 2.84 0.00 0.00 34.83 34.62 3dhw s MET 316 CO 0.07 -0.58 1.14 -1.01 -0.65 0.00 0.00 175.02 173.98 3dhw s HIS 317 N 1.15 3.10 0.00 4.11 3.76 -1.10 -4.22 115.29 122.09 3dhw s HIS 317 Ca -0.08 0.85 0.00 0.00 -0.15 0.00 0.00 55.06 55.69 3dhw s HIS 317 Cb -0.20 -3.31 0.00 0.00 1.11 0.00 0.00 32.58 30.18 3dhw s HIS 317 CO -0.04 -1.51 0.00 0.41 -0.85 0.00 0.00 174.74 172.75 3dhw n GLY 318 N -3.17 -1.08 3.79 -2.22 0.00 -1.26 -3.42 105.19 97.82 3dhw n GLY 318 Ca 0.07 -2.12 -0.38 0.00 0.00 0.00 0.00 46.02 43.60 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 0.00 4.44 0.20 2.61 -4.23 -1.26 -4.98 115.64 112.41 3dhw s THR 319 Ca 0.00 1.54 -0.08 0.00 -1.18 0.00 0.00 61.69 61.97 3dhw s THR 319 Cb 0.00 -4.01 0.09 0.00 1.34 0.00 0.00 72.50 69.92 3dhw s THR 319 CO 0.00 0.37 1.68 1.56 -0.54 0.00 0.00 174.62 177.69 3dhw h GLN 320 N 3.87 1.07 -0.87 3.99 4.20 -1.95 -2.35 115.11 123.08 3dhw h GLN 320 Ca -0.47 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 57.92 3dhw h GLN 320 Cb 1.20 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.82 3dhw h GLN 320 CO 0.65 1.01 0.51 1.96 -0.67 0.00 0.00 178.83 182.29 3dhw h GLN 321 N 0.99 1.19 -0.39 1.46 4.20 -2.01 -1.34 115.11 119.21 3dhw h GLN 321 Ca 0.19 -0.12 -0.15 0.00 0.06 0.00 0.00 58.65 58.63 3dhw h GLN 321 Cb 0.49 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3dhw h GLN 321 CO 0.02 0.85 -0.33 -0.44 -0.67 0.00 0.00 178.83 178.26 3dhw h ASP 322 N 1.20 0.97 -0.50 1.46 3.32 -1.92 -3.31 116.42 117.64 3dhw h ASP 322 Ca 0.31 -0.45 -0.11 0.00 0.02 0.00 0.00 57.03 56.81 3dhw h ASP 322 Cb -0.02 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 3dhw h ASP 322 CO -0.06 1.21 -0.09 0.71 -1.72 0.00 0.00 179.24 179.30 3dhw h THR 323 N 0.73 1.26 -0.93 0.35 1.35 -1.18 -1.42 112.91 113.07 3dhw h THR 323 Ca 0.07 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 64.71 3dhw h THR 323 Cb 0.92 0.94 -0.05 0.00 -1.73 0.00 0.00 68.15 68.24 3dhw h THR 323 CO 0.08 0.43 0.59 1.56 -0.25 0.00 0.00 175.52 177.94 3dhw h GLN 324 N 0.88 1.25 -0.45 4.72 4.20 -1.36 0.51 115.11 124.85 3dhw h GLN 324 Ca 0.14 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.62 3dhw h GLN 324 Cb 0.63 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3dhw h GLN 324 CO 0.04 0.85 -0.27 0.00 -0.67 0.00 0.00 178.83 178.78 3dhw h ALA 325 N 1.33 0.64 -0.52 3.87 0.00 -1.63 -2.80 119.26 120.15 3dhw h ALA 325 Ca 0.34 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3dhw h ALA 325 Cb -0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3dhw h ALA 325 CO -0.07 0.67 -0.03 0.00 0.00 0.00 0.00 179.25 179.82 3dhw h ALA 326 N 0.84 0.70 -0.13 0.00 0.00 -0.28 -2.68 119.26 117.71 3dhw h ALA 326 Ca 0.09 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 3dhw h ALA 326 Cb 0.85 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3dhw h ALA 326 CO 0.08 0.54 -0.48 -0.84 0.00 0.00 0.00 179.25 178.55 3dhw h ILE 327 N 0.80 1.33 -0.94 0.00 3.07 -0.10 -2.31 117.51 119.36 3dhw h ILE 327 Ca 0.14 -1.68 -0.00 0.00 1.55 0.00 0.00 64.86 64.86 3dhw h ILE 327 Cb 0.57 1.76 -0.05 0.00 -0.27 0.00 0.00 36.82 38.83 3dhw h ILE 327 CO 0.03 0.51 0.57 0.00 -1.05 0.00 0.00 178.15 178.22 3dhw h ALA 328 N 1.24 1.20 -0.88 0.16 0.00 -1.30 -2.89 119.26 116.79 3dhw h ALA 328 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3dhw h ALA 328 Cb 0.94 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3dhw h ALA 328 CO 0.08 0.65 0.57 2.35 0.00 0.00 0.00 179.25 182.89 3dhw h TRP 329 N 1.30 1.13 -0.89 0.00 7.01 -1.08 -2.74 115.95 120.68 3dhw h TRP 329 Ca 0.34 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.36 3dhw h TRP 329 Cb -0.07 -0.38 -0.04 0.00 -2.10 0.00 0.00 29.16 26.57 3dhw h TRP 329 CO 0.00 0.72 0.56 -0.07 -2.79 0.00 0.00 178.44 176.87 3dhw h LEU 330 N 1.20 1.05 -0.96 0.65 3.38 -1.48 -3.06 115.31 116.08 3dhw h LEU 330 Ca 0.32 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.25 3dhw h LEU 330 Cb -0.11 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.33 3dhw h LEU 330 CO -0.07 0.78 0.62 -0.61 0.09 0.00 0.00 178.44 179.26 3dhw h GLN 331 N 1.21 1.27 -0.96 1.13 4.15 -1.40 -2.24 115.11 118.27 3dhw h GLN 331 Ca 0.32 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.67 3dhw h GLN 331 Cb -0.09 -0.28 -0.05 0.00 0.21 0.00 0.00 27.48 27.27 3dhw h GLN 331 CO -0.06 0.85 0.63 0.93 -1.93 0.00 0.00 178.83 179.24 3dhw h GLU 332 N 1.30 1.27 -1.60 1.69 5.08 -1.52 -3.25 114.58 117.55 3dhw h GLU 332 Ca 0.35 -0.08 -0.28 0.00 -1.00 0.00 0.00 59.36 58.35 3dhw h GLU 332 Cb -0.13 -0.28 -0.12 0.00 0.50 0.00 0.00 28.75 28.72 3dhw h GLU 332 CO -0.07 0.84 0.35 0.72 -1.00 0.00 0.00 179.01 179.86 3dhw n HIS 333 N -4.38 1.31 -3.58 4.33 8.25 -0.87 -4.82 115.22 115.46 3dhw n HIS 333 Ca 0.11 -1.82 -0.25 0.00 -0.26 0.00 0.00 57.72 55.50 3dhw n HIS 333 Cb 0.02 -0.89 0.07 0.00 1.12 0.00 0.00 29.99 30.31 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 0.53 -2.73 -5.19 4.41 8.25 -1.23 -5.00 115.22 114.25 3dhw n HIS 334 Ca 0.26 0.95 -0.32 0.00 -0.26 0.00 0.00 57.72 58.35 3dhw n HIS 334 Cb 0.56 -4.85 -0.17 0.00 1.12 0.00 0.00 29.99 26.65 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 -3.30 2.03 -0.04 1.59 1.01 -1.02 -4.16 120.40 116.51 3dhw s VAL 335 Ca 0.57 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.38 3dhw s VAL 335 Cb -0.26 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 3dhw s VAL 335 CO 0.70 0.55 0.47 -0.54 0.00 0.00 0.00 175.10 176.29 3dhw s LYS 336 N 0.36 4.17 -0.09 2.72 -0.14 -0.43 -3.63 119.74 122.69 3dhw s LYS 336 Ca -0.19 0.50 0.03 0.00 -1.36 0.00 0.00 55.97 54.95 3dhw s LYS 336 Cb -0.18 -3.32 0.01 0.00 -1.68 0.00 0.00 37.83 32.65 3dhw s LYS 336 CO 0.09 0.44 -0.19 0.08 -0.76 0.00 0.00 175.35 175.00 3dhw s VAL 337 N -0.31 1.68 0.00 3.17 1.01 -1.26 -2.57 120.40 122.12 3dhw s VAL 337 Ca 0.26 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.45 3dhw s VAL 337 Cb -0.17 -1.47 -0.00 0.00 0.00 0.00 0.00 36.38 34.74 3dhw s VAL 337 CO 0.13 0.48 -0.01 -0.70 0.00 0.00 0.00 175.10 175.00 3dhw s GLU 338 N 0.49 0.09 -0.22 2.72 2.12 -1.17 -5.05 118.70 117.68 3dhw s GLU 338 Ca -0.17 -0.10 -0.05 0.00 0.36 0.00 0.00 54.97 55.02 3dhw s GLU 338 Cb -0.17 -0.04 -0.02 0.00 0.26 0.00 0.00 34.13 34.17 3dhw s GLU 338 CO 0.07 0.01 -0.01 0.08 -0.54 0.00 0.00 175.26 174.86 3dhw s VAL 339 N -0.19 3.67 0.23 3.70 1.01 -1.26 -1.12 120.40 126.44 3dhw s VAL 339 Ca -0.02 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 3dhw s VAL 339 Cb -0.01 -2.68 0.19 0.00 0.00 0.00 0.00 36.38 33.87 3dhw s VAL 339 CO -0.00 0.40 1.83 -0.07 0.00 0.00 0.00 175.10 177.26 3dhw h LEU 340 N 8.05 1.10 0.00 3.92 3.38 -1.41 -3.48 115.31 126.88 3dhw h LEU 340 Ca -0.40 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3dhw h LEU 340 Cb 1.17 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3dhw h LEU 340 CO 0.60 0.92 0.00 0.61 0.09 0.00 0.00 178.44 180.66 3dhw n GLY 341 N -1.03 -0.63 3.31 0.83 0.00 -1.22 -4.95 105.19 101.50 3dhw n GLY 341 Ca 0.08 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.00 2.33 0.00 1.61 1.51 -1.18 -0.67 117.35 117.95 3dhw s TYR 342 Ca 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 3dhw s TYR 342 Cb 0.00 -1.50 0.00 0.00 -0.11 0.00 0.00 41.96 40.35 3dhw s TYR 342 CO 0.00 -0.04 0.36 1.33 -1.11 0.00 0.00 175.55 176.10