#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 -0.15 2.02 2.07 -1.21 -0.18 121.20 122.74 3dhw s ILE 2 Ca 0.00 -0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.25 3dhw s ILE 2 Cb 0.00 -0.99 0.00 0.00 0.13 0.00 0.00 42.46 41.60 3dhw s ILE 2 CO 0.00 -0.00 -0.16 -0.75 -1.91 0.00 0.00 174.94 172.12 3dhw s LYS 3 N 2.82 3.18 -0.13 3.50 2.20 -0.63 -2.67 119.74 128.02 3dhw s LYS 3 Ca 0.10 -0.77 -0.00 0.00 -0.36 0.00 0.00 55.97 54.94 3dhw s LYS 3 Cb -0.10 -2.60 -0.01 0.00 -1.51 0.00 0.00 37.83 33.61 3dhw s LYS 3 CO -0.26 0.00 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.09 3dhw s LEU 4 N 0.83 2.71 -0.05 5.43 1.43 -0.45 -1.48 118.68 127.09 3dhw s LEU 4 Ca -0.05 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 3dhw s LEU 4 Cb -0.15 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.48 3dhw s LEU 4 CO -0.01 0.17 0.13 -0.94 0.23 0.00 0.00 176.35 175.94 3dhw s SER 5 N 0.33 -0.13 -1.63 2.29 1.04 -1.17 0.12 113.70 114.55 3dhw s SER 5 Ca -0.11 0.27 -0.17 0.00 0.48 0.00 0.00 55.95 56.43 3dhw s SER 5 Cb -0.16 0.25 0.13 0.00 0.10 0.00 0.00 66.02 66.34 3dhw s SER 5 CO 0.06 -0.07 0.85 0.59 0.98 0.00 0.00 173.24 175.65 3dhw n ASN 6 N 3.27 -3.92 -4.61 7.02 3.02 -0.98 -2.73 115.26 116.33 3dhw n ASN 6 Ca -0.15 -0.90 -0.40 0.00 -0.03 0.00 0.00 54.58 53.10 3dhw n ASN 6 Cb 0.57 -3.17 -0.08 0.00 -0.61 0.00 0.00 39.78 36.49 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 -3.27 5.12 -0.08 2.41 1.01 -0.18 -2.86 121.20 123.36 3dhw s ILE 7 Ca 0.71 0.68 0.03 0.00 0.00 0.00 0.00 60.65 62.07 3dhw s ILE 7 Cb -0.38 -3.77 0.01 0.00 0.01 0.00 0.00 42.46 38.33 3dhw s ILE 7 CO 0.87 0.10 -0.16 -0.89 0.00 0.00 0.00 174.94 174.86 3dhw s THR 8 N 2.19 1.44 -0.00 2.92 2.01 -0.39 -0.22 115.64 123.60 3dhw s THR 8 Ca 0.18 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.53 3dhw s THR 8 Cb -0.16 -1.29 0.00 0.00 0.01 0.00 0.00 72.50 71.07 3dhw s THR 8 CO 0.10 0.42 -0.02 -0.75 -0.69 0.00 0.00 174.62 173.68 3dhw s LYS 9 N 0.57 0.17 0.12 4.92 2.20 0.17 -0.42 119.74 127.47 3dhw s LYS 9 Ca -0.16 -0.06 0.05 0.00 -0.36 0.00 0.00 55.97 55.44 3dhw s LYS 9 Cb -0.16 -0.18 -0.04 0.00 -1.51 0.00 0.00 37.83 35.94 3dhw s LYS 9 CO 0.05 0.03 -0.12 0.54 -0.36 0.00 0.00 175.35 175.49 3dhw s VAL 10 N 0.02 1.19 -0.03 4.02 0.11 -1.26 -0.94 120.40 123.51 3dhw s VAL 10 Ca 0.00 -1.73 0.06 0.00 -2.93 0.00 0.00 61.98 57.38 3dhw s VAL 10 Cb -0.02 -1.51 -0.02 0.00 -1.53 0.00 0.00 36.38 33.30 3dhw s VAL 10 CO -0.00 -0.50 -0.20 -0.36 -3.33 0.00 0.00 175.10 170.71 3dhw s PHE 11 N -2.36 2.51 -0.25 1.54 0.40 -0.53 -4.92 117.98 114.37 3dhw s PHE 11 Ca 0.09 -0.30 -0.08 0.00 -0.60 0.00 0.00 56.93 56.03 3dhw s PHE 11 Cb -0.03 -1.56 -0.04 0.00 0.51 0.00 0.00 43.02 41.90 3dhw s PHE 11 CO 0.02 0.08 0.11 -1.01 0.70 0.00 0.00 175.22 175.11 3dhw s HIS 12 N -0.68 3.14 -2.04 0.36 3.76 -1.26 0.22 115.29 118.79 3dhw s HIS 12 Ca 0.11 -0.23 0.26 0.00 -0.15 0.00 0.00 55.06 55.05 3dhw s HIS 12 Cb -0.10 -2.27 0.74 0.00 1.11 0.00 0.00 32.58 32.05 3dhw s HIS 12 CO -0.00 -0.27 1.55 1.04 -0.85 0.00 0.00 174.74 176.22 3dhw n GLN 13 N 4.87 1.17 0.00 1.40 1.13 0.14 -4.97 117.38 121.12 3dhw n GLN 13 Ca -0.16 -0.74 0.00 0.00 -1.94 0.00 0.00 57.00 54.17 3dhw n GLN 13 Cb 0.52 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.38 3dhw n GLN 13 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dhw n GLY 14 N 1.30 1.74 0.16 1.08 0.00 -1.26 -4.35 105.19 103.86 3dhw n GLY 14 Ca 0.14 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3dhw n GLY 14 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3dhw h THR 15 N 0.00 1.42 -3.78 2.61 1.35 -2.02 -3.47 112.91 109.02 3dhw h THR 15 Ca 0.00 -2.14 -0.08 0.00 -0.55 0.00 0.00 66.41 63.63 3dhw h THR 15 Cb 0.00 2.12 -0.11 0.00 -1.73 0.00 0.00 68.15 68.43 3dhw h THR 15 CO 0.00 0.63 -0.21 0.00 -0.25 0.00 0.00 175.52 175.69 3dhw s ARG 16 N -3.62 1.39 -0.10 4.72 1.70 -1.26 -5.14 118.95 116.64 3dhw s ARG 16 Ca -0.03 -1.23 0.04 0.00 -0.47 0.00 0.00 55.73 54.03 3dhw s ARG 16 Cb 0.12 0.43 0.00 0.00 -0.57 0.00 0.00 34.95 34.93 3dhw s ARG 16 CO 0.80 -0.55 -0.24 0.99 -1.08 0.00 0.00 175.30 175.22 3dhw s THR 17 N -4.01 2.05 -0.19 4.99 2.01 -1.26 0.23 115.64 119.46 3dhw s THR 17 Ca 0.21 -1.01 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 3dhw s THR 17 Cb 0.01 -1.77 0.00 0.00 0.01 0.00 0.00 72.50 70.75 3dhw s THR 17 CO 0.06 0.56 -0.12 -0.51 -0.69 0.00 0.00 174.62 173.91 3dhw s ILE 18 N 0.34 2.77 0.32 1.82 1.10 0.13 -4.97 121.20 122.73 3dhw s ILE 18 Ca -0.19 -0.71 -0.29 0.00 -0.51 0.00 0.00 60.65 58.96 3dhw s ILE 18 Cb -0.18 -2.21 -0.10 0.00 0.15 0.00 0.00 42.46 40.11 3dhw s ILE 18 CO 0.09 0.48 1.26 -1.10 -2.11 0.00 0.00 174.94 173.57 3dhw s GLN 19 N 1.25 4.41 0.00 3.50 -1.52 -1.26 -1.45 119.66 124.59 3dhw s GLN 19 Ca 0.03 2.13 0.00 0.00 -1.95 0.00 0.00 55.36 55.57 3dhw s GLN 19 Cb -0.14 -3.09 0.00 0.00 -0.22 0.00 0.00 33.01 29.56 3dhw s GLN 19 CO -0.06 -0.11 0.00 0.00 -0.25 0.00 0.00 175.29 174.88 3dhw n ALA 20 N 0.87 2.76 -2.99 6.09 0.00 -1.17 -4.91 120.51 121.15 3dhw n ALA 20 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.10 3dhw n ALA 20 Cb 0.42 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.75 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 -4.28 3.08 -0.22 0.00 1.43 -0.12 -3.19 118.68 115.38 3dhw s LEU 21 Ca 0.00 -0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 52.91 3dhw s LEU 21 Cb 0.00 -1.73 0.03 0.00 0.03 0.00 0.00 46.19 44.52 3dhw s LEU 21 CO 0.00 0.17 -0.12 0.21 0.23 0.00 0.00 176.35 176.84 3dhw s ASN 22 N 0.36 3.92 -0.11 2.29 2.47 0.05 0.46 114.94 124.37 3dhw s ASN 22 Ca -0.06 -0.85 -0.09 0.00 0.42 0.00 0.00 52.86 52.27 3dhw s ASN 22 Cb -0.15 -1.58 0.01 0.00 -1.45 0.00 0.00 41.25 38.08 3dhw s ASN 22 CO 0.04 -0.08 0.16 -3.20 -3.72 0.00 0.00 177.10 170.29 3dhw n ASN 23 N 4.62 -4.29 -4.47 -4.21 2.85 -1.02 -4.37 115.26 104.37 3dhw n ASN 23 Ca -0.18 0.14 -0.33 0.00 -0.11 0.00 0.00 54.58 54.10 3dhw n ASN 23 Cb 0.47 -1.09 -0.13 0.00 1.24 0.00 0.00 39.78 40.27 3dhw n ASN 23 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 3dhw s VAL 24 N -0.80 3.27 -0.17 3.44 -7.23 0.70 -4.73 120.40 114.88 3dhw s VAL 24 Ca 0.09 -0.62 0.01 0.00 -1.81 0.00 0.00 61.98 59.65 3dhw s VAL 24 Cb -0.01 -2.34 0.02 0.00 0.56 0.00 0.00 36.38 34.61 3dhw s VAL 24 CO 0.21 0.56 -0.19 -0.44 -0.31 0.00 0.00 175.10 174.93 3dhw s SER 25 N -0.29 3.04 -0.11 4.85 0.01 -1.26 -1.01 113.70 118.93 3dhw s SER 25 Ca 0.03 -0.61 0.03 0.00 1.31 0.00 0.00 55.95 56.70 3dhw s SER 25 Cb -0.13 -1.42 0.01 0.00 0.21 0.00 0.00 66.02 64.69 3dhw s SER 25 CO 0.03 -0.00 -0.19 -0.22 0.41 0.00 0.00 173.24 173.26 3dhw s LEU 26 N 1.28 1.94 -0.80 2.44 2.96 0.32 -4.94 118.68 121.88 3dhw s LEU 26 Ca 0.04 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.46 3dhw s LEU 26 Cb -0.13 -1.26 0.19 0.00 0.50 0.00 0.00 46.19 45.49 3dhw s LEU 26 CO -0.11 0.08 0.64 -2.28 -1.32 0.00 0.00 176.35 173.35 3dhw s HIS 27 N 0.74 3.74 -0.35 5.38 5.65 -1.26 -1.34 115.29 127.85 3dhw s HIS 27 Ca -0.11 -3.20 -0.09 0.00 0.25 0.00 0.00 55.06 51.91 3dhw s HIS 27 Cb -0.16 -2.96 0.02 0.00 -1.18 0.00 0.00 32.58 28.30 3dhw s HIS 27 CO 0.01 -0.63 0.16 0.08 -0.65 0.00 0.00 174.74 173.71 3dhw s VAL 28 N -1.43 4.33 0.00 0.89 1.01 -1.09 -5.08 120.40 119.03 3dhw s VAL 28 Ca 0.26 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3dhw s VAL 28 Cb -0.06 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.96 3dhw s VAL 28 CO -0.15 -0.13 0.00 -0.81 0.00 0.00 0.00 175.10 174.01 3dhw n PRO 29 N 4.94 3.22 -4.18 2.72 -0.04 -1.26 -3.34 135.00 137.05 3dhw n PRO 29 Ca -0.13 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.15 3dhw n PRO 29 Cb 0.47 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.81 3dhw n PRO 29 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dhw s ALA 30 N -2.31 1.18 0.00 0.55 0.00 -1.26 -4.39 121.76 115.53 3dhw s ALA 30 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.96 3dhw s ALA 30 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.02 3dhw s ALA 30 CO 0.00 0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.34 3dhw n GLY 31 N 1.30 0.47 3.62 0.00 0.00 -1.26 -4.94 105.19 104.38 3dhw n GLY 31 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.58 2.52 -0.31 1.61 -0.21 -1.26 -4.86 119.66 116.56 3dhw s GLN 32 Ca 0.00 -0.77 -0.12 0.00 0.02 0.00 0.00 55.36 54.49 3dhw s GLN 32 Cb 0.00 -2.50 -0.03 0.00 1.00 0.00 0.00 33.01 31.48 3dhw s GLN 32 CO 0.00 0.58 0.21 0.42 -2.12 0.00 0.00 175.29 174.38 3dhw s ILE 33 N -1.09 5.26 -0.13 1.08 1.09 -1.25 -2.45 121.20 123.71 3dhw s ILE 33 Ca 0.19 -0.05 0.01 0.00 -1.10 0.00 0.00 60.65 59.70 3dhw s ILE 33 Cb -0.11 -3.61 -0.01 0.00 -1.06 0.00 0.00 42.46 37.67 3dhw s ILE 33 CO 0.11 0.11 -0.15 -0.47 -0.10 0.00 0.00 174.94 174.43 3dhw s TYR 34 N 1.73 2.76 -0.01 3.97 6.14 -0.29 0.36 117.35 132.02 3dhw s TYR 34 Ca 0.06 -0.80 0.01 0.00 0.64 0.00 0.00 57.07 56.98 3dhw s TYR 34 Cb -0.17 -1.83 -0.04 0.00 0.42 0.00 0.00 41.96 40.34 3dhw s TYR 34 CO 0.11 -0.31 0.02 0.20 0.64 0.00 0.00 175.55 176.21 3dhw s GLY 35 N 0.46 1.92 -0.09 8.97 0.00 -0.09 0.02 107.32 118.50 3dhw s GLY 35 Ca -0.11 -0.92 0.03 0.00 0.00 0.00 0.00 44.72 43.72 3dhw s GLY 35 CO 0.05 -0.78 -0.18 0.14 0.00 0.00 0.00 173.10 172.33 3dhw s VAL 36 N -1.10 1.64 -0.01 1.40 1.01 -1.04 0.13 120.40 122.43 3dhw s VAL 36 Ca 0.20 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.45 3dhw s VAL 36 Cb -0.12 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 3dhw s VAL 36 CO 0.11 0.47 -0.13 -0.51 0.00 0.00 0.00 175.10 175.04 3dhw s ILE 37 N 0.56 1.01 0.27 2.22 2.07 0.11 -1.51 121.20 125.93 3dhw s ILE 37 Ca -0.15 -0.55 -0.02 0.00 -1.41 0.00 0.00 60.65 58.52 3dhw s ILE 37 Cb -0.17 -0.84 -0.02 0.00 0.13 0.00 0.00 42.46 41.56 3dhw s ILE 37 CO 0.05 0.28 0.30 -0.83 -1.91 0.00 0.00 174.94 172.84 3dhw s GLY 38 N -0.31 1.45 0.97 1.50 0.00 -1.15 -0.92 107.32 108.86 3dhw s GLY 38 Ca 0.05 -1.57 -0.12 0.00 0.00 0.00 0.00 44.72 43.07 3dhw s GLY 38 CO -0.00 -1.17 1.10 0.00 0.00 0.00 0.00 173.10 173.02 3dhw s ALA 39 N -3.75 1.14 0.19 3.20 0.00 -1.23 -4.69 121.76 116.61 3dhw s ALA 39 Ca 0.34 -0.34 -0.32 0.00 0.00 0.00 0.00 51.96 51.64 3dhw s ALA 39 Cb 0.03 -3.11 -0.11 0.00 0.00 0.00 0.00 23.12 19.93 3dhw s ALA 39 CO 0.16 -2.70 1.64 -1.12 0.00 0.00 0.00 175.76 173.75 3dhw s SER 40 N -3.53 6.48 -1.32 0.00 0.01 -1.26 -2.88 113.70 111.20 3dhw s SER 40 Ca 0.65 2.74 -0.04 0.00 1.31 0.00 0.00 55.95 60.61 3dhw s SER 40 Cb -0.18 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.47 3dhw s SER 40 CO 0.57 -0.90 0.92 0.61 0.41 0.00 0.00 173.24 174.85 3dhw n GLY 41 N 3.86 -0.39 0.97 3.44 0.00 -1.26 -4.89 105.19 106.93 3dhw n GLY 41 Ca 0.15 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.44 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 -4.41 2.46 0.00 4.61 0.00 -1.14 -4.96 120.51 117.07 3dhw n ALA 42 Ca -0.19 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.54 3dhw n ALA 42 Cb 0.63 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 1.36 0.58 0.26 0.00 0.00 -1.26 -3.23 105.19 102.89 3dhw n GLY 43 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 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 2.84 0.00 -0.54 1.61 2.10 -1.91 0.38 116.57 121.05 3dhw h LYS 44 Ca 0.00 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.66 3dhw h LYS 44 Cb 0.00 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.30 3dhw h LYS 44 CO 0.00 0.13 0.36 0.77 -2.00 0.00 0.00 179.45 178.70 3dhw h SER 45 N 0.00 0.61 0.12 7.07 0.02 -1.94 -3.00 113.55 116.43 3dhw h SER 45 Ca -0.00 -0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 60.75 3dhw h SER 45 Cb 0.47 -0.15 0.02 0.00 0.14 0.00 0.00 62.40 62.88 3dhw h SER 45 CO 0.02 0.44 -0.82 0.74 -1.14 0.00 0.00 176.83 176.07 3dhw h THR 46 N 0.73 1.47 -0.77 -2.27 2.02 -0.69 -3.44 112.91 109.95 3dhw h THR 46 Ca 0.20 -2.50 0.06 0.00 0.77 0.00 0.00 66.41 64.94 3dhw h THR 46 Cb -0.08 3.15 -0.06 0.00 -1.74 0.00 0.00 68.15 69.42 3dhw h THR 46 CO -0.04 0.70 0.46 0.25 0.37 0.00 0.00 175.52 177.25 3dhw h LEU 47 N -0.43 0.70 -1.98 2.58 5.85 -1.08 -1.64 115.31 119.32 3dhw h LEU 47 Ca -0.15 0.02 0.29 0.00 0.84 0.00 0.00 57.88 58.88 3dhw h LEU 47 Cb 1.60 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.47 3dhw h LEU 47 CO 0.12 0.45 0.71 -0.29 -0.34 0.00 0.00 178.44 179.09 3dhw h ILE 48 N 0.83 0.51 -0.96 4.05 2.10 -1.86 0.36 117.51 122.54 3dhw h ILE 48 Ca 0.34 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 66.28 3dhw h ILE 48 Cb 0.19 0.49 -0.05 0.00 -1.09 0.00 0.00 36.82 36.36 3dhw h ILE 48 CO -0.18 0.00 0.62 0.03 -1.08 0.00 0.00 178.15 177.54 3dhw h ARG 49 N 0.02 1.28 -0.45 2.19 3.08 -1.62 -3.03 114.38 115.85 3dhw h ARG 49 Ca 0.48 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.44 3dhw h ARG 49 Cb 1.88 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 31.62 3dhw h ARG 49 CO -0.02 0.86 0.27 0.00 -1.07 0.00 0.00 179.97 180.02 3dhw h VAL 51 N 0.61 1.19 -0.72 0.00 2.07 -1.51 0.03 116.25 117.92 3dhw h VAL 51 Ca 0.16 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3dhw h VAL 51 Cb -0.03 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 3dhw h VAL 51 CO -0.03 0.19 0.00 -0.46 0.02 0.00 0.00 177.57 177.29 3dhw n ASN 52 N -4.55 3.94 -3.75 0.57 2.04 -1.08 -4.85 115.26 107.58 3dhw n ASN 52 Ca 0.08 -2.00 -0.27 0.00 -0.44 0.00 0.00 54.58 51.95 3dhw n ASN 52 Cb 0.02 -0.48 0.05 0.00 -2.53 0.00 0.00 39.78 36.85 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 1.64 -3.00 -0.12 -4.53 7.94 0.36 -4.85 117.00 114.44 3dhw n LEU 53 Ca 0.24 -0.66 -0.13 0.00 -1.11 0.00 0.00 56.01 54.35 3dhw n LEU 53 Cb 0.62 -2.81 -0.02 0.00 0.53 0.00 0.00 43.42 41.74 3dhw n LEU 53 CO 0.17 0.56 0.55 -0.07 -1.11 0.00 0.00 177.39 177.49 3dhw h LEU 54 N -2.40 1.00-10.30 -1.96 3.38 -1.23 -3.43 115.31 100.36 3dhw h LEU 54 Ca -0.58 -0.46 -0.46 0.00 0.09 0.00 0.00 57.88 56.47 3dhw h LEU 54 Cb 1.37 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.86 3dhw h LEU 54 CO 0.61 1.25 -0.22 -1.61 0.09 0.00 0.00 178.44 178.57 3dhw s GLU 55 N -4.40 3.23 -0.68 1.13 0.41 -1.24 -5.03 118.70 112.11 3dhw s GLU 55 Ca -0.11 -0.61 0.05 0.00 -0.41 0.00 0.00 54.97 53.90 3dhw s GLU 55 Cb 0.11 -2.69 0.20 0.00 -1.78 0.00 0.00 34.13 29.98 3dhw s GLU 55 CO 0.88 -0.00 0.61 0.54 -0.49 0.00 0.00 175.26 176.79 3dhw n ARG 56 N -1.82 2.14 -1.46 1.61 3.00 -1.26 -4.63 116.66 114.23 3dhw n ARG 56 Ca -0.02 -4.57 -0.57 0.00 -0.01 0.00 0.00 57.85 52.69 3dhw n ARG 56 Cb 0.57 -2.27 -0.08 0.00 0.00 0.00 0.00 32.46 30.68 3dhw n ARG 56 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 3dhw n PRO 57 N 1.47 0.00 -0.34 5.56 -0.04 -1.26 -4.86 135.00 135.53 3dhw n PRO 57 Ca 0.24 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.69 3dhw n PRO 57 Cb 0.38 -1.31 0.14 0.00 -0.04 0.00 0.00 33.50 32.67 3dhw n PRO 57 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3dhw h THR 58 N 3.81 1.25 -3.91 0.52 2.02 -1.80 -3.45 112.91 111.35 3dhw h THR 58 Ca -0.40 -0.47 -0.10 0.00 0.77 0.00 0.00 66.41 66.20 3dhw h THR 58 Cb 1.21 -0.12 -0.14 0.00 -1.74 0.00 0.00 68.15 67.36 3dhw h THR 58 CO 0.76 0.24 -0.39 -1.61 0.37 0.00 0.00 175.52 174.90 3dhw s GLU 59 N -6.02 0.96 0.00 6.66 2.02 0.44 -4.95 118.70 117.80 3dhw s GLU 59 Ca -0.13 -1.09 0.00 0.00 0.02 0.00 0.00 54.97 53.77 3dhw s GLU 59 Cb 0.18 0.34 0.00 0.00 0.10 0.00 0.00 34.13 34.75 3dhw s GLU 59 CO 0.81 -0.32 0.00 0.41 0.02 0.00 0.00 175.26 176.19 3dhw n GLY 60 N -0.11 1.17 3.30 -1.39 0.00 -1.14 -1.26 105.19 105.76 3dhw n GLY 60 Ca -0.11 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.54 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 3.41 -0.23 1.61 0.01 -1.10 -4.93 113.70 112.46 3dhw s SER 61 Ca 0.00 -0.45 -0.05 0.00 1.31 0.00 0.00 55.95 56.76 3dhw s SER 61 Cb 0.00 -1.23 -0.01 0.00 0.21 0.00 0.00 66.02 64.98 3dhw s SER 61 CO 0.00 0.21 -0.01 -0.69 0.41 0.00 0.00 173.24 173.16 3dhw s VAL 62 N 0.08 3.67 -0.24 3.43 1.01 -1.26 -3.03 120.40 124.07 3dhw s VAL 62 Ca -0.09 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3dhw s VAL 62 Cb -0.15 -2.68 0.04 0.00 0.00 0.00 0.00 36.38 33.58 3dhw s VAL 62 CO 0.06 0.40 -0.12 -0.22 0.00 0.00 0.00 175.10 175.22 3dhw s LEU 63 N 1.51 3.02 -0.20 3.92 2.96 -0.55 -1.04 118.68 128.30 3dhw s LEU 63 Ca 0.06 -1.04 -0.01 0.00 -0.22 0.00 0.00 54.13 52.92 3dhw s LEU 63 Cb -0.14 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 44.99 3dhw s LEU 63 CO -0.01 -0.12 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.07 3dhw s VAL 64 N 1.22 2.59 -1.41 1.68 1.01 -1.11 -1.61 120.40 122.79 3dhw s VAL 64 Ca -0.02 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 3dhw s VAL 64 Cb -0.17 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.08 3dhw s VAL 64 CO -0.07 0.48 0.55 -0.67 0.00 0.00 0.00 175.10 175.39 3dhw n ASP 65 N 4.69 -0.98 0.00 3.32 -0.08 0.74 -3.41 116.55 120.84 3dhw n ASP 65 Ca -0.20 -0.94 0.00 0.00 -1.51 0.00 0.00 54.79 52.14 3dhw n ASP 65 Cb 0.50 -3.35 0.00 0.00 2.34 0.00 0.00 41.12 40.61 3dhw n ASP 65 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dhw n GLY 66 N -1.82 1.42 3.29 0.27 0.00 -1.26 -5.04 105.19 102.04 3dhw n GLY 66 Ca -0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.49 2.71 -0.31 1.61 -0.21 -1.22 -5.09 119.66 116.66 3dhw s GLN 67 Ca 0.00 -0.86 -0.13 0.00 0.02 0.00 0.00 55.36 54.39 3dhw s GLN 67 Cb 0.00 -2.25 -0.03 0.00 1.00 0.00 0.00 33.01 31.73 3dhw s GLN 67 CO 0.00 0.35 0.27 -1.21 -2.12 0.00 0.00 175.29 172.58 3dhw s GLU 68 N -0.07 3.76 0.33 2.91 2.02 -1.26 -2.73 118.70 123.65 3dhw s GLU 68 Ca -0.06 -0.37 -0.28 0.00 0.02 0.00 0.00 54.97 54.28 3dhw s GLU 68 Cb -0.14 -3.73 -0.10 0.00 0.10 0.00 0.00 34.13 30.26 3dhw s GLU 68 CO 0.05 -0.33 1.22 -0.51 0.02 0.00 0.00 175.26 175.70 3dhw s LEU 69 N 1.85 4.43 -0.07 1.80 1.02 -0.21 -4.95 118.68 122.55 3dhw s LEU 69 Ca 0.09 2.49 -0.15 0.00 0.02 0.00 0.00 54.13 56.58 3dhw s LEU 69 Cb -0.16 -3.71 0.03 0.00 0.02 0.00 0.00 46.19 42.37 3dhw s LEU 69 CO 0.11 -0.43 0.36 0.42 0.02 0.00 0.00 176.35 176.83 3dhw s THR 70 N -1.19 0.03 -0.48 5.49 -4.23 -1.26 -4.11 115.64 109.88 3dhw s THR 70 Ca 0.49 -0.25 -0.29 0.00 -1.18 0.00 0.00 61.69 60.47 3dhw s THR 70 Cb -0.36 -0.60 0.03 0.00 1.34 0.00 0.00 72.50 72.91 3dhw s THR 70 CO 0.47 -0.14 1.11 -0.89 -0.54 0.00 0.00 174.62 174.63 3dhw s THR 71 N -0.67 4.23 0.00 3.99 2.01 -1.26 -4.00 115.64 119.94 3dhw s THR 71 Ca -0.08 1.15 0.00 0.00 0.31 0.00 0.00 61.69 63.07 3dhw s THR 71 Cb -0.04 -4.59 0.00 0.00 0.01 0.00 0.00 72.50 67.88 3dhw s THR 71 CO 0.03 -1.01 0.00 -0.11 -0.69 0.00 0.00 174.62 172.84 3dhw n LEU 72 N 7.79 0.00 -3.50 4.42 0.00 -1.26 -5.09 117.00 119.36 3dhw n LEU 72 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 55.83 3dhw n LEU 72 Cb 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.79 3dhw n LEU 72 CO 0.71 0.00 -0.31 -0.94 0.00 0.00 0.00 177.39 176.85 3dhw s SER 73 N -0.01 3.02 0.19 1.96 1.04 -1.26 -5.00 113.70 113.64 3dhw s SER 73 Ca 0.00 -2.29 -0.12 0.00 0.48 0.00 0.00 55.95 54.02 3dhw s SER 73 Cb 0.00 -0.50 0.10 0.00 0.10 0.00 0.00 66.02 65.72 3dhw s SER 73 CO 0.00 -0.30 1.85 -0.33 0.98 0.00 0.00 173.24 175.45 3dhw h GLU 74 N 6.92 0.83 -0.92 4.02 4.39 -1.98 0.52 114.58 128.36 3dhw h GLU 74 Ca 0.06 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.71 3dhw h GLU 74 Cb 0.96 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 29.38 3dhw h GLU 74 CO 0.30 0.56 0.60 0.77 -1.16 0.00 0.00 179.01 180.08 3dhw h SER 75 N 0.85 1.06 -0.47 1.42 0.02 -1.99 -0.12 113.55 114.31 3dhw h SER 75 Ca 0.23 -0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 61.01 3dhw h SER 75 Cb -0.09 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.17 3dhw h SER 75 CO -0.05 0.77 -0.24 -0.33 -1.14 0.00 0.00 176.83 175.85 3dhw h GLU 76 N 1.25 0.99 -0.98 3.45 5.08 -1.74 -2.65 114.58 119.98 3dhw h GLU 76 Ca 0.34 -0.44 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3dhw h GLU 76 Cb -0.13 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.04 3dhw h GLU 76 CO -0.07 1.11 0.63 1.25 -1.00 0.00 0.00 179.01 180.94 3dhw h LEU 77 N 0.84 1.14 -1.26 1.33 5.85 -0.72 -2.01 115.31 120.49 3dhw h LEU 77 Ca 0.10 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3dhw h LEU 77 Cb 0.82 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 3dhw h LEU 77 CO 0.07 0.84 0.46 0.74 -0.34 0.00 0.00 178.44 180.22 3dhw h THR 78 N 1.34 1.19 -0.62 1.05 2.02 -0.67 0.13 112.91 117.35 3dhw h THR 78 Ca 0.36 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 67.17 3dhw h THR 78 Cb -0.13 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.39 3dhw h THR 78 CO -0.07 0.19 0.41 0.50 0.37 0.00 0.00 175.52 176.92 3dhw h LYS 79 N 0.98 0.81 -0.23 6.66 3.64 -1.11 -3.23 116.57 124.10 3dhw h LYS 79 Ca 0.26 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.45 3dhw h LYS 79 Cb -0.09 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.54 3dhw h LYS 79 CO -0.05 0.54 -0.44 0.00 -2.27 0.00 0.00 179.45 177.22 3dhw h ALA 80 N 1.23 0.80 -0.49 5.00 0.00 -1.13 -3.23 119.26 121.45 3dhw h ALA 80 Ca 0.23 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3dhw h ALA 80 Cb -0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3dhw h ALA 80 CO -0.05 0.66 0.32 0.00 0.00 0.00 0.00 179.25 180.17 3dhw h ARG 81 N 0.47 0.65 -0.98 0.00 2.47 -0.81 0.26 114.38 116.43 3dhw h ARG 81 Ca 0.03 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3dhw h ARG 81 Cb 0.96 -0.14 -0.05 0.00 -1.65 0.00 0.00 29.97 29.09 3dhw h ARG 81 CO 0.09 0.43 0.62 0.00 0.56 0.00 0.00 179.97 181.67 3dhw h ARG 82 N 0.66 1.31 -0.73 0.04 3.08 -1.58 -2.69 114.38 114.47 3dhw h ARG 82 Ca 0.18 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 3dhw h ARG 82 Cb -0.07 -0.28 -0.03 0.00 0.08 0.00 0.00 29.97 29.67 3dhw h ARG 82 CO -0.04 0.89 0.23 1.96 -1.07 0.00 0.00 179.97 181.94 3dhw h GLN 83 N 1.34 1.13 -4.89 0.04 1.08 -0.63 -3.39 115.11 109.78 3dhw h GLN 83 Ca 0.35 -0.24 -0.67 0.00 -1.45 0.00 0.00 58.65 56.65 3dhw h GLN 83 Cb -0.11 -0.17 -0.27 0.00 -0.05 0.00 0.00 27.48 26.89 3dhw h GLN 83 CO -0.07 0.96 -0.67 -1.50 -0.95 0.00 0.00 178.83 176.59 3dhw s ILE 84 N -5.40 3.63 0.42 2.54 2.07 -0.63 -0.33 121.20 123.49 3dhw s ILE 84 Ca -0.12 -0.64 0.05 0.00 -1.41 0.00 0.00 60.65 58.53 3dhw s ILE 84 Cb 0.15 -2.79 0.00 0.00 0.13 0.00 0.00 42.46 39.96 3dhw s ILE 84 CO 0.84 0.23 0.59 -0.83 -1.91 0.00 0.00 174.94 173.85 3dhw s GLY 85 N 1.47 1.73 -0.17 1.50 0.00 0.63 -4.75 107.32 107.74 3dhw s GLY 85 Ca 0.03 -1.42 -0.09 0.00 0.00 0.00 0.00 44.72 43.24 3dhw s GLY 85 CO -0.00 -1.26 0.41 -0.29 0.00 0.00 0.00 173.10 171.95 3dhw s MET 86 N -4.40 0.39 0.45 2.90 1.75 -1.26 0.22 119.30 119.35 3dhw s MET 86 Ca 0.51 0.79 -0.04 0.00 -1.25 0.00 0.00 55.69 55.70 3dhw s MET 86 Cb -0.10 -0.02 0.10 0.00 2.84 0.00 0.00 34.83 37.65 3dhw s MET 86 CO 0.34 -0.16 0.61 -0.89 -0.65 0.00 0.00 175.02 174.27 3dhw n ILE 87 N 4.29 0.00 -4.36 10.11 5.41 0.47 -4.82 119.36 130.47 3dhw n ILE 87 Ca -0.23 -0.72 -0.18 0.00 1.00 0.00 0.00 62.75 62.61 3dhw n ILE 87 Cb 0.55 -1.37 -0.10 0.00 -0.71 0.00 0.00 39.64 38.01 3dhw n ILE 87 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 3dhw s PHE 88 N -1.97 1.69 0.25 1.39 0.40 -1.26 -4.49 117.98 113.99 3dhw s PHE 88 Ca 0.38 -0.80 -0.05 0.00 -0.60 0.00 0.00 56.93 55.86 3dhw s PHE 88 Cb -0.02 -0.95 0.29 0.00 0.51 0.00 0.00 43.02 42.85 3dhw s PHE 88 CO 0.26 0.12 1.92 1.96 0.70 0.00 0.00 175.22 180.18 3dhw h GLN 89 N 2.43 1.29 0.00 0.44 4.20 -1.69 -3.39 115.11 118.39 3dhw h GLN 89 Ca -0.39 -0.08 -0.38 0.00 0.06 0.00 0.00 58.65 57.87 3dhw h GLN 89 Cb 1.22 -0.29 -0.08 0.00 0.30 0.00 0.00 27.48 28.63 3dhw h GLN 89 CO 0.65 0.85 -0.31 0.72 -0.67 0.00 0.00 178.83 180.07 3dhw n HIS 90 N -4.41 0.10 -0.12 2.96 8.25 -1.26 -4.62 115.22 116.12 3dhw n HIS 90 Ca 0.13 -1.76 -0.13 0.00 -0.26 0.00 0.00 57.72 55.69 3dhw n HIS 90 Cb 0.05 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 3dhw n HIS 90 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 3dhw h PHE 91 N 1.45 1.13 -5.96 4.41 0.04 -1.98 -3.49 116.94 112.55 3dhw h PHE 91 Ca -0.22 -0.34 -0.41 0.00 2.80 0.00 0.00 57.97 59.81 3dhw h PHE 91 Cb 0.82 -0.24 0.09 0.00 2.20 0.00 0.00 35.95 38.82 3dhw h PHE 91 CO 0.00 1.17 -0.73 0.09 -0.60 0.00 0.00 178.31 178.24 3dhw n ASN 92 N -4.06 -4.78 -4.64 2.17 3.02 -1.26 -4.76 115.26 100.95 3dhw n ASN 92 Ca -0.02 -0.64 -0.31 0.00 -0.03 0.00 0.00 54.58 53.58 3dhw n ASN 92 Cb 0.54 -4.65 -0.09 0.00 -0.61 0.00 0.00 39.78 34.97 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 -7.10 3.32 -0.17 3.41 1.43 -1.26 -5.01 118.68 113.30 3dhw s LEU 93 Ca 0.46 -0.18 -0.27 0.00 -1.03 0.00 0.00 54.13 53.11 3dhw s LEU 93 Cb -0.21 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 3dhw s LEU 93 CO 0.76 0.22 0.90 -0.76 0.23 0.00 0.00 176.35 177.71 3dhw s LEU 94 N -1.93 4.17 0.04 1.79 1.43 -1.26 -4.87 118.68 118.06 3dhw s LEU 94 Ca 0.22 1.27 0.20 0.00 -1.03 0.00 0.00 54.13 54.79 3dhw s LEU 94 Cb -0.11 -3.35 0.85 0.00 0.03 0.00 0.00 46.19 43.61 3dhw s LEU 94 CO 0.13 -0.46 1.64 -1.54 0.23 0.00 0.00 176.35 176.35 3dhw n SER 95 N 5.41 0.13 -0.09 2.29 3.41 -1.26 -2.47 113.62 121.03 3dhw n SER 95 Ca 0.07 0.52 -0.12 0.00 -0.26 0.00 0.00 58.87 59.08 3dhw n SER 95 Cb 0.48 -0.55 0.01 0.00 -0.26 0.00 0.00 64.21 63.89 3dhw n SER 95 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3dhw h SER 96 N 0.00 0.91 -2.03 4.04 4.64 -2.02 -3.43 113.55 115.66 3dhw h SER 96 Ca 0.00 -0.41 -0.54 0.00 -0.47 0.00 0.00 61.79 60.36 3dhw h SER 96 Cb 0.36 -0.26 -0.08 0.00 -0.31 0.00 0.00 62.40 62.12 3dhw h SER 96 CO 0.00 1.19 -0.57 -0.13 -0.87 0.00 0.00 176.83 176.44 3dhw s ARG 97 N -4.36 2.41 0.90 4.77 0.52 -1.03 -5.02 118.95 117.13 3dhw s ARG 97 Ca -0.10 -1.44 -0.14 0.00 -0.52 0.00 0.00 55.73 53.53 3dhw s ARG 97 Cb 0.11 -2.22 0.15 0.00 0.52 0.00 0.00 34.95 33.52 3dhw s ARG 97 CO 0.87 0.24 1.27 0.95 0.02 0.00 0.00 175.30 178.64 3dhw s THR 98 N -2.35 2.00 0.25 0.02 -4.23 -1.26 -3.39 115.64 106.68 3dhw s THR 98 Ca 0.35 -0.01 -0.06 0.00 -1.18 0.00 0.00 61.69 60.79 3dhw s THR 98 Cb -0.05 -3.00 0.25 0.00 1.34 0.00 0.00 72.50 71.05 3dhw s THR 98 CO 0.22 0.00 1.92 0.58 -0.54 0.00 0.00 174.62 176.80 3dhw h VAL 99 N -1.41 1.23 -0.23 2.29 2.07 -1.55 0.28 116.25 118.92 3dhw h VAL 99 Ca -0.45 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 66.63 3dhw h VAL 99 Cb 1.27 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3dhw h VAL 99 CO 0.48 0.24 0.15 0.15 0.02 0.00 0.00 177.57 178.61 3dhw h PHE 100 N 1.31 0.28 -0.25 1.57 3.57 -1.76 -1.26 116.94 120.39 3dhw h PHE 100 Ca 0.37 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.88 3dhw h PHE 100 Cb -0.11 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 3dhw h PHE 100 CO -0.00 0.17 0.17 0.78 -2.23 0.00 0.00 178.31 177.19 3dhw h GLY 101 N 0.30 0.36 1.01 2.40 0.00 -1.32 1.09 103.07 106.90 3dhw h GLY 101 Ca 0.09 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.29 3dhw h GLY 101 CO -0.03 0.13 0.40 3.43 0.00 0.00 0.00 176.54 180.47 3dhw h ASN 102 N 0.34 0.70 -0.84 0.19 2.35 0.09 -0.59 115.58 117.81 3dhw h ASN 102 Ca 0.09 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 3dhw h ASN 102 Cb -0.03 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.12 3dhw h ASN 102 CO -0.02 0.51 0.42 0.58 -1.65 0.00 0.00 177.43 177.27 3dhw h VAL 103 N 0.82 1.26 -0.95 2.81 2.07 -0.87 -3.00 116.25 118.38 3dhw h VAL 103 Ca 0.22 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 67.07 3dhw h VAL 103 Cb -0.09 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 29.79 3dhw h VAL 103 CO -0.05 0.31 0.62 0.00 0.02 0.00 0.00 177.57 178.47 3dhw h ALA 104 N 1.25 1.24 -0.83 1.67 0.00 0.27 -3.36 119.26 119.50 3dhw h ALA 104 Ca 0.29 -0.05 0.28 0.00 0.00 0.00 0.00 54.91 55.43 3dhw h ALA 104 Cb 0.10 -0.34 -0.15 0.00 0.00 0.00 0.00 17.79 17.40 3dhw h ALA 104 CO -0.04 0.51 0.18 -0.11 0.00 0.00 0.00 179.25 179.79 3dhw n LEU 105 N -4.47 0.05 0.09 0.00 -0.00 -0.48 0.36 117.00 112.55 3dhw n LEU 105 Ca 0.12 1.41 -0.07 0.00 -0.00 0.00 0.00 56.01 57.47 3dhw n LEU 105 Cb 0.08 -0.58 -0.02 0.00 -0.00 0.00 0.00 43.42 42.90 3dhw n LEU 105 CO 0.35 -1.48 0.24 1.55 -0.00 0.00 0.00 177.39 178.05 3dhw h PRO 106 N 0.00 0.09 -0.67 1.96 0.13 -1.78 -0.88 132.00 130.84 3dhw h PRO 106 Ca 0.58 -0.11 -0.07 0.00 -0.87 0.00 0.00 66.00 65.54 3dhw h PRO 106 Cb 1.36 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.50 3dhw h PRO 106 CO -0.73 0.92 0.17 -0.07 -0.23 0.00 0.00 178.00 178.05 3dhw h LEU 107 N 0.04 1.02 -1.03 1.56 3.38 0.61 -2.08 115.31 118.82 3dhw h LEU 107 Ca -0.03 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3dhw h LEU 107 Cb 1.55 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 3dhw h LEU 107 CO 0.13 0.99 0.61 -0.08 0.09 0.00 0.00 178.44 180.18 3dhw h GLU 108 N 1.01 1.27 0.00 1.13 4.81 0.37 -2.88 114.58 120.29 3dhw h GLU 108 Ca 0.21 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3dhw h GLU 108 Cb 0.36 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3dhw h GLU 108 CO 0.00 0.85 0.00 1.28 -0.73 0.00 0.00 179.01 180.42 3dhw n LEU 109 N -4.38 0.00 -0.28 1.64 4.77 -0.35 -3.68 117.00 114.72 3dhw n LEU 109 Ca 0.11 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.05 3dhw n LEU 109 Cb 0.03 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 3dhw n LEU 109 CO 0.37 0.00 1.19 0.44 -1.33 0.00 0.00 177.39 178.06 3dhw h ASP 110 N 0.00 0.91 -0.36 -1.43 3.32 -1.78 -3.22 116.42 113.86 3dhw h ASP 110 Ca 0.00 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 56.86 3dhw h ASP 110 Cb 0.00 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3dhw h ASP 110 CO 0.00 0.67 -0.36 0.78 -1.72 0.00 0.00 179.24 178.61 3dhw h ASN 111 N 1.06 0.94 -6.83 6.45 4.21 -1.77 -3.49 115.58 116.14 3dhw h ASN 111 Ca 0.28 -0.47 -0.53 0.00 1.21 0.00 0.00 56.30 56.79 3dhw h ASN 111 Cb -0.10 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 36.83 3dhw h ASN 111 CO -0.06 1.21 -1.08 0.35 -1.29 0.00 0.00 177.43 176.57 3dhw n THR 112 N -4.12 -3.08 -4.33 2.81 -2.24 -1.09 -5.03 114.28 97.20 3dhw n THR 112 Ca -0.03 -0.21 -0.30 0.00 -2.27 0.00 0.00 64.05 61.24 3dhw n THR 112 Cb 0.53 -2.68 -0.11 0.00 -2.10 0.00 0.00 70.33 65.97 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 -5.84 2.06 -0.02 -0.78 0.05 -1.26 -5.10 135.00 124.12 3dhw s PRO 113 Ca 0.17 -1.03 -0.18 0.00 0.05 0.00 0.00 61.00 60.01 3dhw s PRO 113 Cb -0.10 -2.25 -0.10 0.00 0.05 0.00 0.00 34.50 32.10 3dhw s PRO 113 CO 0.93 0.51 0.75 0.87 0.05 0.00 0.00 177.00 180.11 3dhw h LYS 114 N 3.86 -0.62 -0.28 4.56 1.57 -2.01 -3.35 116.57 120.30 3dhw h LYS 114 Ca -0.49 0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.15 3dhw h LYS 114 Cb 1.17 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3dhw h LYS 114 CO 0.50 -0.42 -0.54 -0.44 -0.57 0.00 0.00 179.45 177.98 3dhw h ASP 115 N -1.15 0.97 -0.97 0.86 3.32 -2.02 -3.38 116.42 114.05 3dhw h ASP 115 Ca -0.07 -0.54 0.02 0.00 0.02 0.00 0.00 57.03 56.47 3dhw h ASP 115 Cb 0.50 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.72 3dhw h ASP 115 CO 0.11 1.32 0.64 -0.33 -1.72 0.00 0.00 179.24 179.26 3dhw h GLU 116 N 0.65 1.25 -0.71 3.56 5.08 -2.00 -0.35 114.58 122.05 3dhw h GLU 116 Ca 0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3dhw h GLU 116 Cb 1.15 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 3dhw h GLU 116 CO 0.12 0.82 0.46 0.28 -1.00 0.00 0.00 179.01 179.69 3dhw h VAL 117 N 1.28 1.19 -0.44 3.13 2.07 -1.74 0.13 116.25 121.87 3dhw h VAL 117 Ca 0.36 -0.38 -0.14 0.00 0.82 0.00 0.00 66.70 67.37 3dhw h VAL 117 Cb -0.10 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 3dhw h VAL 117 CO -0.09 0.19 -0.27 0.11 0.02 0.00 0.00 177.57 177.53 3dhw h LYS 118 N 0.97 0.96 -0.50 1.57 1.57 -1.31 -1.73 116.57 118.11 3dhw h LYS 118 Ca 0.26 -0.45 -0.13 0.00 -1.87 0.00 0.00 60.65 58.46 3dhw h LYS 118 Cb -0.08 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3dhw h LYS 118 CO -0.05 1.11 -0.20 0.00 -0.57 0.00 0.00 179.45 179.74 3dhw h ARG 119 N 0.80 1.01 -0.65 3.15 3.08 -0.83 -1.01 114.38 119.93 3dhw h ARG 119 Ca 0.09 -0.42 -0.08 0.00 0.07 0.00 0.00 59.98 59.64 3dhw h ARG 119 Cb 0.86 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.84 3dhw h ARG 119 CO 0.08 1.11 0.10 0.00 -1.07 0.00 0.00 179.97 180.18 3dhw h ARG 120 N 0.87 1.08 -0.50 0.04 3.08 -0.92 0.30 114.38 118.33 3dhw h ARG 120 Ca 0.12 -0.29 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 3dhw h ARG 120 Cb 0.78 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 3dhw h ARG 120 CO 0.06 1.00 0.12 0.28 -1.07 0.00 0.00 179.97 180.36 3dhw h VAL 121 N 1.00 1.24 -0.45 2.04 2.07 -1.05 0.99 116.25 122.08 3dhw h VAL 121 Ca 0.20 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 3dhw h VAL 121 Cb 0.44 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3dhw h VAL 121 CO 0.01 0.31 0.27 0.74 0.02 0.00 0.00 177.57 178.93 3dhw h THR 122 N 0.70 1.14 -0.59 2.57 2.02 -0.34 0.33 112.91 118.75 3dhw h THR 122 Ca 0.16 -0.32 -0.09 0.00 0.77 0.00 0.00 66.41 66.93 3dhw h THR 122 Cb 0.33 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3dhw h THR 122 CO 0.00 0.14 0.02 -0.33 0.37 0.00 0.00 175.52 175.73 3dhw h GLU 123 N 0.60 1.02 -0.79 6.66 5.08 0.17 -0.97 114.58 126.35 3dhw h GLU 123 Ca 0.16 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 3dhw h GLU 123 Cb -0.01 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 3dhw h GLU 123 CO -0.03 1.00 0.32 -0.07 -1.00 0.00 0.00 179.01 179.23 3dhw h LEU 124 N 0.92 1.09 -0.95 1.33 4.07 0.01 0.48 115.31 122.25 3dhw h LEU 124 Ca 0.17 -0.17 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 3dhw h LEU 124 Cb 0.52 -0.28 -0.05 0.00 1.08 0.00 0.00 40.66 41.94 3dhw h LEU 124 CO 0.03 0.96 0.58 -0.07 -1.08 0.00 0.00 178.44 178.85 3dhw h LEU 125 N 1.15 1.15 -0.77 1.67 3.38 0.05 0.38 115.31 122.31 3dhw h LEU 125 Ca 0.26 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 3dhw h LEU 125 Cb 0.21 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3dhw h LEU 125 CO -0.02 0.88 0.26 -1.28 0.09 0.00 0.00 178.44 178.36 3dhw h SER 126 N 1.32 1.10 -0.61 -0.43 0.87 0.11 1.27 113.55 117.18 3dhw h SER 126 Ca 0.34 -0.20 -0.05 0.00 -1.23 0.00 0.00 61.79 60.66 3dhw h SER 126 Cb -0.06 -0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 61.59 3dhw h SER 126 CO -0.06 1.01 0.20 0.25 -0.53 0.00 0.00 176.83 177.69 3dhw h LEU 127 N 1.14 0.88 -1.15 2.23 5.85 0.31 -2.47 115.31 122.11 3dhw h LEU 127 Ca 0.25 -0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 3dhw h LEU 127 Cb 0.28 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3dhw h LEU 127 CO -0.01 0.85 -0.39 -0.37 -0.34 0.00 0.00 178.44 178.18 3dhw h VAL 128 N 0.87 1.09 0.00 1.05 -1.51 -0.89 -3.48 116.25 113.38 3dhw h VAL 128 Ca 0.20 -1.41 0.00 0.00 -1.23 0.00 0.00 66.70 64.26 3dhw h VAL 128 Cb 0.27 1.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 3dhw h VAL 128 CO -0.01 0.38 0.00 0.61 -1.23 0.00 0.00 177.57 177.32 3dhw n GLY 129 N -0.15 1.17 3.35 5.19 0.00 0.43 -4.99 105.19 110.19 3dhw n GLY 129 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 3dhw n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dhw s LEU 130 N 0.00 5.78 0.00 0.99 1.02 -0.99 -4.27 118.68 121.20 3dhw s LEU 130 Ca 0.00 -1.67 0.00 0.00 0.02 0.00 0.00 54.13 52.48 3dhw s LEU 130 Cb 0.00 -2.26 0.00 0.00 0.02 0.00 0.00 46.19 43.95 3dhw s LEU 130 CO 0.00 -0.98 0.00 0.61 0.02 0.00 0.00 176.35 176.00 3dhw n GLY 131 N 5.20 -0.87 0.38 -3.19 0.00 -1.26 -4.61 105.19 100.84 3dhw n GLY 131 Ca -0.09 0.18 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 1.13 0.06 1.61 3.32 -1.84 -2.50 116.42 118.20 3dhw h ASP 132 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3dhw h ASP 132 Cb 0.00 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.28 3dhw h ASP 132 CO 0.00 0.80 -0.65 0.29 -1.72 0.00 0.00 179.24 177.96 3dhw n LYS 133 N -4.41 0.63 -2.15 3.56 5.02 -1.26 -4.78 118.16 114.78 3dhw n LYS 133 Ca 0.13 -0.50 -0.11 0.00 -2.02 0.00 0.00 58.31 55.80 3dhw n LYS 133 Cb 0.05 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.61 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 -0.75 1.81 0.15 2.13 8.25 -0.94 -4.88 115.22 120.98 3dhw n HIS 134 Ca 0.07 -2.02 -0.07 0.00 -0.26 0.00 0.00 57.72 55.45 3dhw n HIS 134 Cb 0.39 -0.28 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 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 2.15 -0.41 -0.64 0.41 3.32 -1.86 -3.35 116.42 116.04 3dhw h ASP 135 Ca 0.12 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.10 3dhw h ASP 135 Cb 1.42 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 41.07 3dhw h ASP 135 CO 0.45 -0.25 0.04 0.28 -1.72 0.00 0.00 179.24 178.04 3dhw h SER 136 N -0.41 1.07 -3.04 6.45 0.02 -1.92 -3.01 113.55 112.71 3dhw h SER 136 Ca -0.04 -0.29 -0.53 0.00 -0.84 0.00 0.00 61.79 60.10 3dhw h SER 136 Cb 0.32 -0.29 0.02 0.00 0.14 0.00 0.00 62.40 62.60 3dhw h SER 136 CO 0.04 1.09 0.69 -0.47 -1.14 0.00 0.00 176.83 177.04 3dhw s TYR 137 N -5.10 3.28 0.00 3.45 6.04 -1.26 -4.50 117.35 119.27 3dhw s TYR 137 Ca -0.12 1.02 0.00 0.00 0.04 0.00 0.00 57.07 58.01 3dhw s TYR 137 Cb 0.14 -3.63 0.00 0.00 -1.04 0.00 0.00 41.96 37.43 3dhw s TYR 137 CO 0.86 -2.16 0.00 -0.35 -1.54 0.00 0.00 175.55 172.35 3dhw n PRO 138 N 3.95 0.63 0.00 4.97 -0.04 -1.26 -3.41 135.00 139.83 3dhw n PRO 138 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 3dhw n PRO 138 Cb 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 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 -2.29 0.00 -4.46 3.54 7.64 -1.22 -4.21 113.62 112.62 3dhw n SER 139 Ca 0.00 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.44 3dhw n SER 139 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 3dhw n SER 139 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3dhw s ASN 140 N -1.13 6.94 0.17 6.43 -0.87 -1.26 -4.97 114.94 120.25 3dhw s ASN 140 Ca 0.00 -2.70 0.06 0.00 -1.57 0.00 0.00 52.86 48.65 3dhw s ASN 140 Cb 0.00 -2.41 -0.05 0.00 -0.02 0.00 0.00 41.25 38.78 3dhw s ASN 140 CO 0.00 -0.86 -0.12 -0.76 -2.57 0.00 0.00 177.10 172.80 3dhw s LEU 141 N 2.01 2.54 0.74 0.60 2.01 -1.26 -5.13 118.68 120.19 3dhw s LEU 141 Ca 0.40 -1.01 -0.15 0.00 0.01 0.00 0.00 54.13 53.37 3dhw s LEU 141 Cb -0.03 -0.47 0.04 0.00 0.01 0.00 0.00 46.19 45.74 3dhw s LEU 141 CO -0.02 -0.27 1.22 -0.24 1.01 0.00 0.00 176.35 178.04 3dhw n SER 142 N -0.26 1.39 -0.33 2.29 2.88 -1.26 -4.55 113.62 113.78 3dhw n SER 142 Ca -0.09 0.69 0.02 0.00 -1.33 0.00 0.00 58.87 58.16 3dhw n SER 142 Cb 0.60 -1.52 0.20 0.00 -0.75 0.00 0.00 64.21 62.74 3dhw n SER 142 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3dhw h GLY 143 N -0.29 1.38 1.01 0.46 0.00 -1.99 0.67 103.07 104.32 3dhw h GLY 143 Ca -0.48 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 46.40 3dhw h GLY 143 CO 0.49 0.36 0.63 -1.33 0.00 0.00 0.00 176.54 176.69 3dhw h GLY 144 N 1.14 1.36 0.99 4.60 0.00 -1.96 -0.12 103.07 109.09 3dhw h GLY 144 Ca 0.39 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 47.21 3dhw h GLY 144 CO -0.13 0.51 0.48 1.46 0.00 0.00 0.00 176.54 178.85 3dhw h GLN 145 N 1.31 0.94 -0.68 4.80 4.20 -0.71 0.13 115.11 125.10 3dhw h GLN 145 Ca 0.35 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.01 3dhw h GLN 145 Cb -0.14 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.39 3dhw h GLN 145 CO -0.08 0.62 0.43 0.87 -0.67 0.00 0.00 178.83 180.00 3dhw h LYS 146 N 0.97 0.91 -0.89 1.46 1.57 0.16 1.46 116.57 122.20 3dhw h LYS 146 Ca 0.27 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 3dhw h LYS 146 Cb -0.10 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 31.97 3dhw h LYS 146 CO -0.06 0.63 0.53 0.37 -0.57 0.00 0.00 179.45 180.35 3dhw h GLN 147 N 0.92 1.21 -0.92 3.15 5.75 -0.15 -0.42 115.11 124.65 3dhw h GLN 147 Ca 0.25 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 3dhw h GLN 147 Cb -0.06 -0.25 -0.04 0.00 1.07 0.00 0.00 27.48 28.19 3dhw h GLN 147 CO -0.05 0.85 0.55 0.00 -2.65 0.00 0.00 178.83 177.53 3dhw h ARG 148 N 1.22 1.25 -0.95 1.69 3.08 0.46 0.31 114.38 121.44 3dhw h ARG 148 Ca 0.32 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 60.26 3dhw h ARG 148 Cb -0.05 -0.26 -0.05 0.00 0.08 0.00 0.00 29.97 29.70 3dhw h ARG 148 CO -0.06 0.87 0.63 0.28 -1.07 0.00 0.00 179.97 180.62 3dhw h VAL 149 N 1.26 1.25 -0.17 2.04 2.07 0.64 0.39 116.25 123.73 3dhw h VAL 149 Ca 0.33 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.40 3dhw h VAL 149 Cb -0.05 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.56 3dhw h VAL 149 CO -0.06 0.24 0.08 0.00 0.02 0.00 0.00 177.57 177.85 3dhw h ALA 150 N 1.35 0.20 -0.59 1.67 0.00 0.53 0.36 119.26 122.78 3dhw h ALA 150 Ca 0.35 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 3dhw h ALA 150 Cb -0.14 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3dhw h ALA 150 CO -0.07 -0.34 -0.04 -0.84 0.00 0.00 0.00 179.25 177.96 3dhw h ILE 151 N 0.18 1.27 -0.29 0.00 3.07 -0.11 0.07 117.51 121.71 3dhw h ILE 151 Ca 0.07 -1.19 0.05 0.00 1.55 0.00 0.00 64.86 65.34 3dhw h ILE 151 Cb 0.01 0.85 -0.05 0.00 -0.27 0.00 0.00 36.82 37.37 3dhw h ILE 151 CO -0.05 0.43 -0.02 0.00 -1.05 0.00 0.00 178.15 177.47 3dhw h ALA 152 N 0.97 0.24 -0.95 0.16 0.00 0.12 1.01 119.26 120.82 3dhw h ALA 152 Ca 0.16 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3dhw h ALA 152 Cb 0.60 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 3dhw h ALA 152 CO 0.04 -0.42 0.62 -0.09 0.00 0.00 0.00 179.25 179.39 3dhw h ARG 153 N 0.07 1.25 -0.83 0.00 2.43 0.53 0.23 114.38 118.04 3dhw h ARG 153 Ca 0.14 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3dhw h ARG 153 Cb 0.19 -0.28 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 3dhw h ARG 153 CO -0.25 0.83 0.55 0.00 -1.51 0.00 0.00 179.97 179.60 3dhw h ALA 154 N 1.40 1.06 -0.26 2.80 0.00 0.27 -2.25 119.26 122.29 3dhw h ALA 154 Ca 0.35 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 3dhw h ALA 154 Cb -0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.31 3dhw h ALA 154 CO -0.07 0.45 -0.33 -0.07 0.00 0.00 0.00 179.25 179.23 3dhw h LEU 155 N 1.11 0.57 -0.94 0.00 3.38 0.67 -3.25 115.31 116.86 3dhw h LEU 155 Ca 0.31 -0.23 0.31 0.00 0.09 0.00 0.00 57.88 58.36 3dhw h LEU 155 Cb -0.11 -0.16 -0.17 0.00 0.09 0.00 0.00 40.66 40.31 3dhw h LEU 155 CO -0.07 0.86 0.20 0.00 0.09 0.00 0.00 178.44 179.52 3dhw n ALA 156 N -2.50 0.67 -0.36 1.53 0.00 0.72 0.12 120.51 120.69 3dhw n ALA 156 Ca -0.01 0.99 -0.02 0.00 0.00 0.00 0.00 53.44 54.40 3dhw n ALA 156 Cb 0.46 -0.82 0.11 0.00 0.00 0.00 0.00 19.45 19.20 3dhw n ALA 156 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3dhw h SER 157 N 0.00 1.08 -2.17 0.00 0.02 -1.62 -3.46 113.55 107.40 3dhw h SER 157 Ca 0.66 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.58 3dhw h SER 157 Cb 1.53 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.81 3dhw h SER 157 CO -0.83 0.78 0.00 0.59 -1.14 0.00 0.00 176.83 176.23 3dhw n ASN 158 N -4.43 -1.45 -4.97 3.07 3.02 0.32 -4.98 115.26 105.84 3dhw n ASN 158 Ca 0.11 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.47 3dhw n ASN 158 Cb 0.03 -0.64 -0.01 0.00 -0.61 0.00 0.00 39.78 38.55 3dhw n ASN 158 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3dhw s PRO 159 N -2.72 3.18 0.09 3.52 0.04 -1.26 -4.85 135.00 133.00 3dhw s PRO 159 Ca 0.00 -0.96 0.22 0.00 0.04 0.00 0.00 61.00 60.30 3dhw s PRO 159 Cb 0.00 -2.81 -0.16 0.00 0.04 0.00 0.00 34.50 31.57 3dhw s PRO 159 CO 0.00 0.18 0.77 1.63 0.04 0.00 0.00 177.00 179.62 3dhw n LYS 160 N -1.54 0.63 -4.43 4.56 5.02 0.55 -4.91 118.16 118.03 3dhw n LYS 160 Ca -0.03 -0.02 -0.23 0.00 -2.02 0.00 0.00 58.31 56.01 3dhw n LYS 160 Cb 0.58 -1.69 -0.16 0.00 -0.02 0.00 0.00 35.03 33.74 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 -3.40 0.92 -0.19 -0.18 1.01 -1.20 -2.56 120.40 114.79 3dhw s VAL 161 Ca -0.04 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 3dhw s VAL 161 Cb 0.11 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 3dhw s VAL 161 CO 0.84 0.31 0.06 -0.22 0.00 0.00 0.00 175.10 176.09 3dhw s LEU 162 N 0.75 3.77 -0.22 3.92 0.20 0.09 -0.26 118.68 126.93 3dhw s LEU 162 Ca -0.13 0.05 -0.09 0.00 0.69 0.00 0.00 54.13 54.65 3dhw s LEU 162 Cb -0.15 -1.96 -0.04 0.00 -0.43 0.00 0.00 46.19 43.61 3dhw s LEU 162 CO 0.02 0.15 0.11 -0.76 -0.29 0.00 0.00 176.35 175.58 3dhw s LEU 163 N 0.51 3.87 -0.18 -0.68 1.43 0.58 -2.52 118.68 121.69 3dhw s LEU 163 Ca 0.03 0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.11 3dhw s LEU 163 Cb -0.13 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 3dhw s LEU 163 CO 0.01 0.08 0.01 0.00 0.23 0.00 0.00 176.35 176.68 3dhw s ASP 165 N 0.57 3.90 -1.49 0.00 2.15 -1.26 -0.09 116.67 120.45 3dhw s ASP 165 Ca -0.00 -1.95 -0.12 0.00 0.43 0.00 0.00 52.55 50.91 3dhw s ASP 165 Cb -0.14 -0.92 0.07 0.00 -0.30 0.00 0.00 42.92 41.64 3dhw s ASP 165 CO 0.02 -0.37 0.98 -0.62 -0.17 0.00 0.00 175.17 175.01 3dhw n GLU 166 N 4.43 -5.76 -0.24 4.34 -0.58 -0.66 -2.34 120.64 119.84 3dhw n GLU 166 Ca 0.02 0.63 -0.08 0.00 -0.42 0.00 0.00 57.16 57.30 3dhw n GLU 166 Cb 0.40 -5.51 0.04 0.00 -0.57 0.00 0.00 31.44 25.80 3dhw n GLU 166 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dhw h ALA 167 N 0.96 0.89 -0.15 0.62 0.00 -1.81 -2.84 119.26 116.94 3dhw h ALA 167 Ca -0.58 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.06 3dhw h ALA 167 Cb 1.37 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3dhw h ALA 167 CO 0.65 0.66 0.00 0.25 0.00 0.00 0.00 179.25 180.81 3dhw n THR 168 N -4.22 0.19 -0.36 0.00 -2.24 -1.26 -4.30 114.28 102.08 3dhw n THR 168 Ca 0.04 -0.36 -0.02 0.00 -2.27 0.00 0.00 64.05 61.44 3dhw n THR 168 Cb 0.29 0.46 0.11 0.00 -2.10 0.00 0.00 70.33 69.09 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 2.46 1.14 -0.03 3.42 4.64 -1.81 -2.77 113.55 120.59 3dhw h SER 169 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3dhw h SER 169 Cb 0.54 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3dhw h SER 169 CO 0.00 0.85 0.00 0.00 -0.87 0.00 0.00 176.83 176.81 3dhw n ALA 170 N -2.39 2.56 -2.79 5.18 0.00 -1.26 -4.89 120.51 116.91 3dhw n ALA 170 Ca 0.11 -0.49 -0.36 0.00 0.00 0.00 0.00 53.44 52.71 3dhw n ALA 170 Cb 0.03 -1.11 -0.08 0.00 0.00 0.00 0.00 19.45 18.29 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 -1.96 3.96 0.66 0.00 1.43 -1.04 -5.09 118.68 116.64 3dhw s LEU 171 Ca 0.36 0.25 -0.15 0.00 -1.03 0.00 0.00 54.13 53.56 3dhw s LEU 171 Cb 0.21 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.47 3dhw s LEU 171 CO 0.32 0.33 1.11 1.51 0.23 0.00 0.00 176.35 179.85 3dhw s ASP 172 N -0.55 5.08 0.35 2.29 -4.77 -1.26 -4.52 116.67 113.29 3dhw s ASP 172 Ca 0.11 1.99 0.14 0.00 -3.30 0.00 0.00 52.55 51.49 3dhw s ASP 172 Cb -0.12 -2.55 1.02 0.00 -1.09 0.00 0.00 42.92 40.18 3dhw s ASP 172 CO 0.02 -1.65 1.71 1.55 0.70 0.00 0.00 175.17 177.51 3dhw h PRO 173 N -0.02 0.43 0.08 2.11 0.13 -1.97 0.79 132.00 133.54 3dhw h PRO 173 Ca -0.47 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3dhw h PRO 173 Cb 1.25 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3dhw h PRO 173 CO 0.54 0.28 -0.04 0.00 -0.23 0.00 0.00 178.00 178.55 3dhw h ALA 174 N 1.73 -0.11 -0.68 -0.56 0.00 -2.01 0.11 119.26 117.75 3dhw h ALA 174 Ca 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.55 3dhw h ALA 174 Cb 1.49 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 3dhw h ALA 174 CO -0.47 -0.56 0.44 1.15 0.00 0.00 0.00 179.25 179.81 3dhw h THR 175 N -0.13 1.18 -0.82 0.00 2.02 -1.25 -2.63 112.91 111.29 3dhw h THR 175 Ca -0.01 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 66.84 3dhw h THR 175 Cb 0.10 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.66 3dhw h THR 175 CO 0.02 0.17 0.53 0.74 0.37 0.00 0.00 175.52 177.36 3dhw h THR 176 N 0.92 1.21 -0.54 3.16 2.02 0.10 0.37 112.91 120.15 3dhw h THR 176 Ca 0.25 -0.41 -0.11 0.00 0.77 0.00 0.00 66.41 66.92 3dhw h THR 176 Cb -0.09 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.32 3dhw h THR 176 CO -0.05 0.21 -0.07 0.03 0.37 0.00 0.00 175.52 176.01 3dhw h ARG 177 N 1.11 1.01 -0.65 6.66 3.08 -0.57 0.11 114.38 125.13 3dhw h ARG 177 Ca 0.30 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3dhw h ARG 177 Cb -0.11 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 3dhw h ARG 177 CO -0.06 1.04 0.39 0.77 -1.07 0.00 0.00 179.97 181.04 3dhw h SER 178 N 0.88 0.78 -0.48 7.04 0.02 -0.93 -2.37 113.55 118.49 3dhw h SER 178 Ca 0.14 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 3dhw h SER 178 Cb 0.63 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 3dhw h SER 178 CO 0.04 0.61 -0.03 0.40 -1.14 0.00 0.00 176.83 176.72 3dhw h ILE 179 N 0.88 1.27 -0.77 3.27 2.04 -0.18 -2.53 117.51 121.48 3dhw h ILE 179 Ca 0.23 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.94 3dhw h ILE 179 Cb -0.02 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 3dhw h ILE 179 CO -0.04 0.39 0.36 -0.07 0.00 0.00 0.00 178.15 178.79 3dhw h LEU 180 N 0.73 1.01 -1.03 1.44 3.38 -0.80 -0.68 115.31 119.36 3dhw h LEU 180 Ca 0.13 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3dhw h LEU 180 Cb 0.55 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3dhw h LEU 180 CO 0.03 0.86 0.65 -0.33 0.09 0.00 0.00 178.44 179.74 3dhw h GLU 181 N 1.10 1.28 -0.82 1.13 5.08 -1.29 -1.63 114.58 119.43 3dhw h GLU 181 Ca 0.27 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3dhw h GLU 181 Cb 0.12 -0.29 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 3dhw h GLU 181 CO -0.03 0.84 0.53 1.25 -1.00 0.00 0.00 179.01 180.60 3dhw h LEU 182 N 1.31 0.95 -0.94 1.33 7.12 -0.70 0.40 115.31 124.78 3dhw h LEU 182 Ca 0.37 -0.03 -0.02 0.00 0.13 0.00 0.00 57.88 58.33 3dhw h LEU 182 Cb -0.11 -0.24 -0.04 0.00 -0.53 0.00 0.00 40.66 39.74 3dhw h LEU 182 CO -0.09 0.70 0.50 -0.07 -0.13 0.00 0.00 178.44 179.34 3dhw h LEU 183 N 1.11 1.11 -0.37 2.25 3.38 -1.01 -2.81 115.31 118.97 3dhw h LEU 183 Ca 0.30 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.18 3dhw h LEU 183 Cb -0.11 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.34 3dhw h LEU 183 CO -0.06 0.88 0.23 0.50 0.09 0.00 0.00 178.44 180.08 3dhw h LYS 184 N 1.25 0.46 -0.93 1.13 3.64 0.58 0.18 116.57 122.88 3dhw h LYS 184 Ca 0.32 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 3dhw h LYS 184 Cb 0.01 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 3dhw h LYS 184 CO -0.05 0.31 0.55 -0.44 -2.27 0.00 0.00 179.45 177.55 3dhw h ASP 185 N 0.48 1.13 0.22 4.20 3.32 -0.35 0.97 116.42 126.38 3dhw h ASP 185 Ca 0.14 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 56.99 3dhw h ASP 185 Cb -0.03 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 3dhw h ASP 185 CO -0.05 0.87 -0.48 0.16 -1.72 0.00 0.00 179.24 178.03 3dhw h ILE 186 N 1.29 1.33 -0.26 0.35 3.07 -1.22 -0.84 117.51 121.23 3dhw h ILE 186 Ca 0.33 -1.68 0.00 0.00 1.55 0.00 0.00 64.86 65.06 3dhw h ILE 186 Cb -0.04 1.77 -0.01 0.00 -0.27 0.00 0.00 36.82 38.26 3dhw h ILE 186 CO -0.06 0.51 0.17 -1.13 -1.05 0.00 0.00 178.15 176.59 3dhw h ASN 187 N 0.25 0.30 -0.65 2.16 -1.24 0.11 0.38 115.58 116.90 3dhw h ASN 187 Ca 0.01 -0.01 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 3dhw h ASN 187 Cb 0.93 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 39.88 3dhw h ASN 187 CO 0.08 0.22 0.27 0.03 -1.29 0.00 0.00 177.43 176.74 3dhw h ARG 188 N 0.36 0.96 0.00 6.67 3.08 0.43 -3.13 114.38 122.75 3dhw h ARG 188 Ca 0.10 -0.16 -0.28 0.00 0.07 0.00 0.00 59.98 59.70 3dhw h ARG 188 Cb -0.04 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 29.80 3dhw h ARG 188 CO -0.02 0.79 -2.05 2.89 -1.07 0.00 0.00 179.97 180.51 3dhw n ARG 189 N -4.44 1.13 0.28 0.04 1.85 -0.53 -4.34 116.66 110.64 3dhw n ARG 189 Ca 0.04 0.04 0.18 0.00 -1.00 0.00 0.00 57.85 57.11 3dhw n ARG 189 Cb 0.16 -1.38 0.80 0.00 -1.05 0.00 0.00 32.46 30.98 3dhw n ARG 189 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 3dhw h LEU 190 N 0.00 0.00 0.00 2.89 3.38 -0.37 -3.44 115.31 117.76 3dhw h LEU 190 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3dhw h LEU 190 Cb 1.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.57 3dhw h LEU 190 CO -0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.13 3dhw n GLY 191 N -0.29 0.59 3.77 0.83 0.00 -1.18 -5.00 105.19 103.90 3dhw n GLY 191 Ca -0.00 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3dhw n GLY 191 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dhw s LEU 192 N 0.00 4.47 -0.23 0.99 2.96 -1.25 -4.32 118.68 121.30 3dhw s LEU 192 Ca 0.00 2.55 -0.13 0.00 -0.22 0.00 0.00 54.13 56.34 3dhw s LEU 192 Cb 0.00 -3.64 -0.05 0.00 0.50 0.00 0.00 46.19 43.00 3dhw s LEU 192 CO 0.00 -0.41 0.25 -0.89 -1.32 0.00 0.00 176.35 173.98 3dhw s THR 193 N -1.11 5.30 -0.15 3.68 2.01 -1.06 -4.32 115.64 119.98 3dhw s THR 193 Ca 0.48 0.38 -0.02 0.00 0.31 0.00 0.00 61.69 62.83 3dhw s THR 193 Cb -0.37 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 3dhw s THR 193 CO 0.49 0.30 -0.08 -0.63 -0.69 0.00 0.00 174.62 174.01 3dhw s ILE 194 N 1.20 3.42 -0.40 1.82 1.01 -1.02 -0.73 121.20 126.50 3dhw s ILE 194 Ca 0.12 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 3dhw s ILE 194 Cb -0.14 -2.48 0.11 0.00 0.01 0.00 0.00 42.46 39.95 3dhw s ILE 194 CO 0.06 0.50 0.20 -0.22 0.00 0.00 0.00 174.94 175.47 3dhw s LEU 195 N 0.54 5.18 0.27 2.97 2.96 -1.05 -1.14 118.68 128.42 3dhw s LEU 195 Ca -0.06 -1.96 -0.16 0.00 -0.22 0.00 0.00 54.13 51.73 3dhw s LEU 195 Cb -0.15 -1.83 -0.08 0.00 0.50 0.00 0.00 46.19 44.62 3dhw s LEU 195 CO 0.03 -0.53 0.71 -0.22 -1.32 0.00 0.00 176.35 175.02 3dhw s LEU 196 N 1.16 4.17 -0.03 -0.68 2.96 0.10 -2.33 118.68 124.04 3dhw s LEU 196 Ca 0.07 1.28 0.02 0.00 -0.22 0.00 0.00 54.13 55.28 3dhw s LEU 196 Cb -0.23 -3.85 0.01 0.00 0.50 0.00 0.00 46.19 42.62 3dhw s LEU 196 CO -0.04 -0.11 -0.06 -0.51 -1.32 0.00 0.00 176.35 174.32 3dhw s ILE 197 N -1.80 0.58 0.07 6.68 1.10 0.87 -2.50 121.20 126.19 3dhw s ILE 197 Ca 0.49 -0.23 -0.20 0.00 -0.51 0.00 0.00 60.65 60.20 3dhw s ILE 197 Cb -0.13 -0.54 0.05 0.00 0.15 0.00 0.00 42.46 41.99 3dhw s ILE 197 CO 0.19 0.20 0.48 0.28 -2.11 0.00 0.00 174.94 173.98 3dhw s THR 198 N 0.39 0.04 0.14 4.00 -1.32 -0.57 -1.65 115.64 116.67 3dhw s THR 198 Ca -0.05 -0.33 -0.12 0.00 -1.21 0.00 0.00 61.69 59.97 3dhw s THR 198 Cb -0.09 -1.01 -0.01 0.00 -1.51 0.00 0.00 72.50 69.88 3dhw s THR 198 CO 0.00 -0.18 1.55 0.45 -2.21 0.00 0.00 174.62 174.22 3dhw h HIS 199 N 2.70 0.97 -4.11 9.09 3.86 -1.89 -3.03 115.15 122.74 3dhw h HIS 199 Ca -0.32 -0.21 -0.69 0.00 -1.16 0.00 0.00 60.37 57.99 3dhw h HIS 199 Cb 1.23 -0.24 -0.28 0.00 1.06 0.00 0.00 27.41 29.18 3dhw h HIS 199 CO 0.36 0.97 -0.84 -1.21 0.86 0.00 0.00 177.93 178.06 3dhw s GLU 200 N -4.78 2.50 0.00 2.45 2.02 -1.26 -4.80 118.70 114.83 3dhw s GLU 200 Ca -0.12 -0.83 0.15 0.00 0.02 0.00 0.00 54.97 54.19 3dhw s GLU 200 Cb 0.11 -2.24 0.81 0.00 0.10 0.00 0.00 34.13 32.91 3dhw s GLU 200 CO 0.84 0.48 1.54 -1.33 0.02 0.00 0.00 175.26 176.80 3dhw n MET 201 N 2.68 1.17 -0.20 1.61 2.81 -1.26 -2.28 117.12 121.65 3dhw n MET 201 Ca -0.17 -0.25 -0.07 0.00 -1.81 0.00 0.00 57.70 55.40 3dhw n MET 201 Cb 0.52 -1.26 0.03 0.00 -0.71 0.00 0.00 33.22 31.80 3dhw n MET 201 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3dhw h ASP 202 N 0.48 0.68 -0.49 7.83 3.32 -1.93 -1.57 116.42 124.74 3dhw h ASP 202 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3dhw h ASP 202 Cb 0.11 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3dhw h ASP 202 CO 0.00 0.54 0.32 0.58 -1.72 0.00 0.00 179.24 178.96 3dhw h VAL 203 N 0.75 1.13 -0.79 -1.35 2.07 -1.89 -2.44 116.25 113.72 3dhw h VAL 203 Ca 0.20 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.50 3dhw h VAL 203 Cb -0.01 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 3dhw h VAL 203 CO -0.04 0.12 0.52 0.58 0.02 0.00 0.00 177.57 178.78 3dhw h VAL 204 N 0.66 1.19 -0.51 2.57 2.07 -1.56 -2.38 116.25 118.29 3dhw h VAL 204 Ca 0.18 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3dhw h VAL 204 Cb -0.08 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.71 3dhw h VAL 204 CO -0.04 0.19 0.24 0.11 0.02 0.00 0.00 177.57 178.09 3dhw h LYS 205 N 1.06 0.73 -0.65 1.57 1.57 -0.80 -0.40 116.57 119.67 3dhw h LYS 205 Ca 0.29 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 3dhw h LYS 205 Cb -0.11 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.04 3dhw h LYS 205 CO -0.07 0.62 0.19 0.00 -0.57 0.00 0.00 179.45 179.62 3dhw h ARG 206 N 0.67 1.01 -0.00 3.15 3.08 -1.35 -3.37 114.38 117.58 3dhw h ARG 206 Ca 0.17 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3dhw h ARG 206 Cb 0.13 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3dhw h ARG 206 CO -0.02 0.89 -0.12 0.44 -1.07 0.00 0.00 179.97 180.09 3dhw n ILE 207 N -4.34 0.00 -3.18 2.04 -5.35 -1.10 -5.04 119.36 102.38 3dhw n ILE 207 Ca 0.04 -0.44 -0.39 0.00 -0.27 0.00 0.00 62.75 61.69 3dhw n ILE 207 Cb 0.22 1.02 -0.06 0.00 -1.74 0.00 0.00 39.64 39.08 3dhw n ILE 207 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dhw n ASP 209 N 2.24 1.98 -4.20 0.00 8.00 0.16 -4.66 116.55 120.07 3dhw n ASP 209 Ca -0.08 -0.05 -0.20 0.00 0.71 0.00 0.00 54.79 55.18 3dhw n ASP 209 Cb 0.51 -0.50 -0.12 0.00 -0.02 0.00 0.00 41.12 40.99 3dhw n ASP 209 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dhw s VAL 211 N -1.25 0.61 -0.01 0.00 0.11 0.11 -0.92 120.40 119.06 3dhw s VAL 211 Ca -0.00 -1.81 0.02 0.00 -2.93 0.00 0.00 61.98 57.26 3dhw s VAL 211 Cb -0.10 -1.52 0.00 0.00 -1.53 0.00 0.00 36.38 33.23 3dhw s VAL 211 CO 0.03 -0.83 -0.05 0.00 -3.33 0.00 0.00 175.10 170.92 3dhw s ALA 212 N -3.37 0.48 -0.20 1.54 0.00 0.12 -2.22 121.76 118.11 3dhw s ALA 212 Ca 0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 51.96 51.82 3dhw s ALA 212 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 3dhw s ALA 212 CO -0.05 0.08 -0.01 0.08 0.00 0.00 0.00 175.76 175.86 3dhw s VAL 213 N 0.12 3.84 -0.17 0.00 1.01 0.88 0.08 120.40 126.16 3dhw s VAL 213 Ca -0.01 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.63 3dhw s VAL 213 Cb -0.05 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.61 3dhw s VAL 213 CO -0.00 0.43 -0.19 -0.63 0.00 0.00 0.00 175.10 174.71 3dhw s ILE 214 N 1.07 2.24 -0.03 2.22 1.09 -0.10 0.17 121.20 127.87 3dhw s ILE 214 Ca 0.02 -0.89 0.03 0.00 -1.10 0.00 0.00 60.65 58.70 3dhw s ILE 214 Cb -0.14 -1.94 0.00 0.00 -1.06 0.00 0.00 42.46 39.32 3dhw s ILE 214 CO 0.01 0.53 -0.10 -0.55 -0.10 0.00 0.00 174.94 174.74 3dhw s SER 215 N 1.12 1.27 -1.40 3.58 0.15 -1.05 -3.54 113.70 113.83 3dhw s SER 215 Ca 0.01 -0.20 -0.02 0.00 0.70 0.00 0.00 55.95 56.44 3dhw s SER 215 Cb -0.14 -0.32 0.01 0.00 -1.71 0.00 0.00 66.02 63.86 3dhw s SER 215 CO -0.08 0.08 0.54 0.59 1.20 0.00 0.00 173.24 175.57 3dhw n ASN 216 N 3.24 -0.91 0.00 5.45 4.13 -1.25 -2.85 115.26 123.07 3dhw n ASN 216 Ca -0.18 -0.94 0.00 0.00 1.68 0.00 0.00 54.58 55.14 3dhw n ASN 216 Cb 0.54 -3.37 0.00 0.00 -1.54 0.00 0.00 39.78 35.41 3dhw n ASN 216 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dhw n GLY 217 N -1.82 0.27 3.24 7.41 0.00 -1.19 -4.73 105.19 108.37 3dhw n GLY 217 Ca -0.27 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.96 1.04 -0.31 1.61 2.02 -1.13 -0.77 118.70 120.19 3dhw s GLU 218 Ca 0.00 -1.32 -0.11 0.00 0.02 0.00 0.00 54.97 53.56 3dhw s GLU 218 Cb 0.00 -0.79 -0.03 0.00 0.10 0.00 0.00 34.13 33.41 3dhw s GLU 218 CO 0.00 0.13 0.20 -0.51 0.02 0.00 0.00 175.26 175.10 3dhw s LEU 219 N -2.73 4.22 -0.02 1.80 1.43 -1.26 -2.53 118.68 119.59 3dhw s LEU 219 Ca 0.12 -0.29 -0.24 0.00 -1.03 0.00 0.00 54.13 52.69 3dhw s LEU 219 Cb -0.02 -2.10 -0.17 0.00 0.03 0.00 0.00 46.19 43.93 3dhw s LEU 219 CO 0.02 -0.16 1.11 0.40 0.23 0.00 0.00 176.35 177.96 3dhw h ILE 220 N 5.48 0.97 -3.92 -0.59 1.08 -0.58 -3.47 117.51 116.49 3dhw h ILE 220 Ca -0.33 -0.97 -0.31 0.00 -0.39 0.00 0.00 64.86 62.86 3dhw h ILE 220 Cb 1.17 1.53 -0.27 0.00 -3.07 0.00 0.00 36.82 36.18 3dhw h ILE 220 CO 0.60 0.21 -0.75 -1.61 -0.69 0.00 0.00 178.15 175.91 3dhw s GLU 221 N -4.08 0.46 -0.06 2.37 2.02 -1.23 -4.96 118.70 113.22 3dhw s GLU 221 Ca -0.14 -0.34 -0.01 0.00 0.02 0.00 0.00 54.97 54.50 3dhw s GLU 221 Cb 0.01 -0.38 0.03 0.00 0.10 0.00 0.00 34.13 33.89 3dhw s GLU 221 CO 0.56 0.10 0.02 -1.14 0.02 0.00 0.00 175.26 174.81 3dhw s GLN 222 N -0.51 0.42 0.09 1.61 0.74 -1.26 -0.08 119.66 120.68 3dhw s GLN 222 Ca -0.01 0.17 -0.21 0.00 0.05 0.00 0.00 55.36 55.36 3dhw s GLN 222 Cb -0.04 -0.83 0.07 0.00 1.10 0.00 0.00 33.01 33.31 3dhw s GLN 222 CO -0.00 -0.30 0.99 -0.25 -0.55 0.00 0.00 175.29 175.18 3dhw n ASP 223 N 5.11 -1.35 -4.79 6.67 10.43 -0.94 -4.99 116.55 126.69 3dhw n ASP 223 Ca -0.07 -1.58 -0.31 0.00 2.57 0.00 0.00 54.79 55.39 3dhw n ASP 223 Cb 0.50 2.16 0.07 0.00 1.84 0.00 0.00 41.12 45.69 3dhw n ASP 223 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3dhw s THR 224 N -2.09 3.61 0.26 -3.53 -4.23 -1.26 0.08 115.64 108.49 3dhw s THR 224 Ca 0.23 0.55 -0.05 0.00 -1.18 0.00 0.00 61.69 61.24 3dhw s THR 224 Cb -0.02 -3.14 0.26 0.00 1.34 0.00 0.00 72.50 70.95 3dhw s THR 224 CO 0.03 -0.66 1.93 0.58 -0.54 0.00 0.00 174.62 175.96 3dhw h VAL 225 N -0.81 1.23 -0.98 2.29 2.07 -1.68 -2.16 116.25 116.21 3dhw h VAL 225 Ca -0.44 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 66.65 3dhw h VAL 225 Cb 1.22 -0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 3dhw h VAL 225 CO 0.54 0.24 0.65 0.28 0.02 0.00 0.00 177.57 179.29 3dhw h SER 226 N 1.30 1.12 -0.02 0.57 0.02 -1.83 -0.73 113.55 113.97 3dhw h SER 226 Ca 0.36 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 3dhw h SER 226 Cb -0.12 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.15 3dhw h SER 226 CO -0.09 0.81 0.00 -0.62 -1.14 0.00 0.00 176.83 175.79 3dhw n GLU 227 N -4.41 1.40 -2.73 3.45 1.02 -0.85 -4.65 120.64 113.87 3dhw n GLU 227 Ca 0.11 -0.58 -0.43 0.00 -0.02 0.00 0.00 57.16 56.25 3dhw n GLU 227 Cb 0.02 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 29.94 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 -1.98 4.39 0.00 2.62 1.01 -0.28 -4.26 120.40 121.91 3dhw s VAL 228 Ca 0.40 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.40 3dhw s VAL 228 Cb 0.20 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 32.10 3dhw s VAL 228 CO 0.33 -0.84 0.00 0.49 0.00 0.00 0.00 175.10 175.08 3dhw n PHE 229 N 7.35 0.00 0.07 5.22 0.99 -1.26 -5.02 117.46 124.81 3dhw n PHE 229 Ca 0.09 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.41 3dhw n PHE 229 Cb 0.49 0.00 -0.07 0.00 -1.00 0.00 0.00 39.48 38.89 3dhw n PHE 229 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3dhw h SER 230 N 0.00 -0.07 -4.45 4.37 0.87 -1.97 -3.49 113.55 108.81 3dhw h SER 230 Ca 0.00 -0.00 -0.42 0.00 -1.23 0.00 0.00 61.79 60.14 3dhw h SER 230 Cb 0.00 0.02 -0.21 0.00 -0.44 0.00 0.00 62.40 61.77 3dhw h SER 230 CO 0.00 -0.05 -0.78 -1.00 -0.53 0.00 0.00 176.83 174.47 3dhw s HIS 231 N -6.15 1.25 0.00 2.24 3.76 -1.26 -5.01 115.29 110.13 3dhw s HIS 231 Ca -0.13 -0.46 0.00 0.00 -0.15 0.00 0.00 55.06 54.31 3dhw s HIS 231 Cb 0.06 -0.70 0.00 0.00 1.11 0.00 0.00 32.58 33.05 3dhw s HIS 231 CO 0.66 0.07 0.00 -2.30 -0.85 0.00 0.00 174.74 172.31 3dhw n PRO 232 N 1.23 0.00 -2.03 8.40 -0.02 -1.26 -4.04 135.00 137.28 3dhw n PRO 232 Ca -0.21 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.85 3dhw n PRO 232 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 3dhw n PRO 232 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3dhw n LYS 233 N 0.00 3.18 -0.06 -0.52 5.02 -1.26 -4.17 118.16 120.34 3dhw n LYS 233 Ca 0.00 -3.02 -0.13 0.00 -2.02 0.00 0.00 58.31 53.14 3dhw n LYS 233 Cb 0.00 -3.15 -0.06 0.00 -0.02 0.00 0.00 35.03 31.79 3dhw n LYS 233 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3dhw h THR 234 N 3.98 1.34 -4.03 -0.18 2.02 -1.93 -3.28 112.91 110.83 3dhw h THR 234 Ca 0.49 -1.39 -0.54 0.00 0.77 0.00 0.00 66.41 65.74 3dhw h THR 234 Cb 0.65 1.83 0.12 0.00 -1.74 0.00 0.00 68.15 69.02 3dhw h THR 234 CO 1.76 0.42 0.60 -2.16 0.37 0.00 0.00 175.52 176.51 3dhw s PRO 235 N -4.26 3.33 0.00 6.66 0.04 -1.26 0.35 135.00 139.87 3dhw s PRO 235 Ca -0.14 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.09 3dhw s PRO 235 Cb 0.06 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.25 3dhw s PRO 235 CO 0.78 -1.02 0.00 1.47 0.04 0.00 0.00 177.00 178.26 3dhw n LEU 236 N -0.80 0.00 0.00 -3.56 -0.00 -1.26 -4.35 117.00 107.03 3dhw n LEU 236 Ca 0.09 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.21 3dhw n LEU 236 Cb 0.45 -0.21 -0.02 0.00 -0.00 0.00 0.00 43.42 43.64 3dhw n LEU 236 CO 0.53 0.00 0.05 0.00 -0.00 0.00 0.00 177.39 177.97 3dhw n ALA 237 N 0.51 4.27 -1.65 1.47 0.00 1.10 -2.48 120.51 123.73 3dhw n ALA 237 Ca 0.00 -0.52 0.06 0.00 0.00 0.00 0.00 53.44 52.98 3dhw n ALA 237 Cb 0.00 -0.87 0.16 0.00 0.00 0.00 0.00 19.45 18.74 3dhw n ALA 237 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3dhw n GLN 238 N -1.57 1.24 -1.59 0.00 7.27 1.05 -4.86 117.38 118.92 3dhw n GLN 238 Ca 0.04 -2.90 -0.41 0.00 0.07 0.00 0.00 57.00 53.79 3dhw n GLN 238 Cb 0.35 -1.32 -0.03 0.00 2.41 0.00 0.00 30.24 31.65 3dhw n GLN 238 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 3dhw n LYS 239 N -0.90 2.16 0.00 3.69 4.81 -1.03 -4.65 118.16 122.24 3dhw n LYS 239 Ca 0.16 -2.32 0.00 0.00 -0.87 0.00 0.00 58.31 55.28 3dhw n LYS 239 Cb 0.75 -3.19 0.00 0.00 0.02 0.00 0.00 35.03 32.61 3dhw n LYS 239 CO 0.00 0.00 0.00 1.97 1.17 0.00 0.00 177.40 180.54 3dhw n PHE 240 N 7.77 0.00 -4.02 5.64 1.16 -1.26 -4.73 117.46 122.02 3dhw n PHE 240 Ca 0.50 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.90 3dhw n PHE 240 Cb 0.41 0.00 -0.16 0.00 -1.61 0.00 0.00 39.48 38.12 3dhw n PHE 240 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3dhw s ILE 241 N 0.00 0.29 0.61 1.97 -1.09 -1.26 -5.01 121.20 116.71 3dhw s ILE 241 Ca 0.00 0.00 0.32 0.00 -2.23 0.00 0.00 60.65 58.75 3dhw s ILE 241 Cb 0.00 -0.36 0.37 0.00 -1.58 0.00 0.00 42.46 40.90 3dhw s ILE 241 CO 0.00 0.16 2.26 -0.61 -1.23 0.00 0.00 174.94 175.52 3dhw h GLN 242 N 7.12 0.00 -1.00 2.79 5.75 -1.99 0.41 115.11 128.19 3dhw h GLN 242 Ca -0.40 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.13 3dhw h GLN 242 Cb 1.14 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.64 3dhw h GLN 242 CO 0.48 0.00 0.65 1.03 -2.65 0.00 0.00 178.83 178.34 3dhw h SER 243 N 0.00 1.08 0.00 -0.69 0.87 -1.97 -0.39 113.55 112.46 3dhw h SER 243 Ca 0.01 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3dhw h SER 243 Cb 0.06 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 3dhw h SER 243 CO -0.00 0.74 -0.00 0.74 -0.53 0.00 0.00 176.83 177.78 3dhw h THR 244 N 1.26 1.20 -0.58 2.23 2.02 -0.51 -3.30 112.91 115.22 3dhw h THR 244 Ca 0.40 -0.59 -0.11 0.00 0.77 0.00 0.00 66.41 66.88 3dhw h THR 244 Cb 0.01 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 3dhw h THR 244 CO -0.13 0.15 -0.05 -0.07 0.37 0.00 0.00 175.52 175.79 3dhw h LEU 245 N -0.25 1.05 -0.29 2.58 4.07 -1.49 -3.08 115.31 117.91 3dhw h LEU 245 Ca -0.00 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.63 3dhw h LEU 245 Cb 0.25 -0.29 0.00 0.00 1.08 0.00 0.00 40.66 41.71 3dhw h LEU 245 CO 0.00 1.13 0.84 -0.74 -1.08 0.00 0.00 178.44 178.59 3dhw h HIS 246 N 0.96 0.00 -0.91 1.13 2.76 -1.16 0.84 115.15 118.77 3dhw h HIS 246 Ca 0.16 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3dhw h HIS 246 Cb 0.62 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.54 3dhw h HIS 246 CO 0.04 0.00 0.55 -0.07 -1.30 0.00 0.00 177.93 177.15 3dhw h LEU 247 N 0.00 1.08 -1.43 0.26 3.38 -1.71 0.82 115.31 117.71 3dhw h LEU 247 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3dhw h LEU 247 Cb 1.67 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.15 3dhw h LEU 247 CO 0.00 0.83 -0.02 0.47 0.09 0.00 0.00 178.44 179.81 3dhw n ASP 248 N -4.36 2.23 -0.07 -0.43 8.00 0.29 -3.84 116.55 118.36 3dhw n ASP 248 Ca 0.10 -1.73 -0.08 0.00 0.71 0.00 0.00 54.79 53.79 3dhw n ASP 248 Cb 0.06 0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.17 3dhw n ASP 248 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3dhw h ILE 249 N 3.48 0.92 -0.76 0.53 1.08 -0.84 -2.78 117.51 119.14 3dhw h ILE 249 Ca 0.00 -0.07 -0.43 0.00 -0.39 0.00 0.00 64.86 63.97 3dhw h ILE 249 Cb 0.75 0.68 -0.06 0.00 -3.07 0.00 0.00 36.82 35.12 3dhw h ILE 249 CO 0.00 0.04 1.22 -2.16 -0.69 0.00 0.00 178.15 176.56 3dhw s PRO 250 N -6.17 2.99 0.14 2.37 0.04 -1.24 -4.67 135.00 128.47 3dhw s PRO 250 Ca -0.13 -0.97 0.11 0.00 0.04 0.00 0.00 61.00 60.05 3dhw s PRO 250 Cb 0.11 -5.25 0.58 0.00 0.04 0.00 0.00 34.50 29.97 3dhw s PRO 250 CO 0.70 -3.11 1.35 -0.85 0.04 0.00 0.00 177.00 175.13 3dhw n GLU 251 N 8.64 0.07 -0.33 4.56 0.00 -1.05 0.06 120.64 132.58 3dhw n GLU 251 Ca 0.41 0.52 -0.01 0.00 0.00 0.00 0.00 57.16 58.08 3dhw n GLU 251 Cb 0.48 -1.70 0.14 0.00 0.00 0.00 0.00 31.44 30.36 3dhw n GLU 251 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 3dhw h ASP 252 N 0.00 1.08 -0.49 -1.84 -0.00 -1.86 -0.13 116.42 113.18 3dhw h ASP 252 Ca 0.00 -0.03 -0.13 0.00 -0.00 0.00 0.00 57.03 56.87 3dhw h ASP 252 Cb 0.05 -0.27 -0.01 0.00 -0.00 0.00 0.00 39.33 39.10 3dhw h ASP 252 CO 0.00 0.79 -0.20 0.22 -0.00 0.00 0.00 179.24 180.04 3dhw h TYR 253 N 1.27 1.15 -0.77 4.15 5.03 -0.70 -1.96 116.97 125.15 3dhw h TYR 253 Ca 0.34 -0.28 -0.04 0.00 2.58 0.00 0.00 58.73 61.33 3dhw h TYR 253 Cb -0.14 -0.27 -0.03 0.00 1.55 0.00 0.00 36.73 37.84 3dhw h TYR 253 CO 0.00 1.11 0.30 1.96 -1.32 0.00 0.00 178.16 180.21 3dhw h GLN 254 N 0.86 1.15 0.00 1.82 4.20 -1.56 -2.43 115.11 119.15 3dhw h GLN 254 Ca 0.11 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3dhw h GLN 254 Cb 0.78 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.38 3dhw h GLN 254 CO 0.07 0.93 0.00 1.05 -0.67 0.00 0.00 178.83 180.21 3dhw h GLU 255 N 1.11 0.00 -0.94 1.46 4.11 -0.91 -2.26 114.58 117.15 3dhw h GLU 255 Ca 0.25 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.68 3dhw h GLU 255 Cb 0.22 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 3dhw h GLU 255 CO -0.02 0.00 0.57 0.00 0.07 0.00 0.00 179.01 179.63 3dhw h ARG 256 N 0.00 1.28 -6.23 1.06 3.08 -0.84 -3.44 114.38 109.29 3dhw h ARG 256 Ca 0.00 -0.12 -0.56 0.00 0.07 0.00 0.00 59.98 59.38 3dhw h ARG 256 Cb 0.48 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3dhw h ARG 256 CO 0.00 0.89 1.03 -1.17 -1.07 0.00 0.00 179.97 179.65 3dhw s LEU 257 N -10.00 4.24 -0.26 3.04 2.96 -0.85 -4.81 118.68 113.01 3dhw s LEU 257 Ca -0.13 2.01 -0.10 0.00 -0.22 0.00 0.00 54.13 55.69 3dhw s LEU 257 Cb 0.17 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.28 3dhw s LEU 257 CO 0.82 -0.90 0.16 -1.10 -1.32 0.00 0.00 176.35 174.02 3dhw s GLN 258 N 3.91 3.95 0.25 1.98 -0.21 0.20 -4.90 119.66 124.85 3dhw s GLN 258 Ca 0.67 -0.32 -0.06 0.00 0.02 0.00 0.00 55.36 55.67 3dhw s GLN 258 Cb -0.29 -3.56 0.26 0.00 1.00 0.00 0.00 33.01 30.43 3dhw s GLN 258 CO 0.25 -0.08 1.92 0.00 -2.12 0.00 0.00 175.29 175.26 3dhw h ALA 259 N 7.99 1.27 -2.88 6.09 0.00 -1.89 -1.29 119.26 128.54 3dhw h ALA 259 Ca -0.36 -0.08 -0.53 0.00 0.00 0.00 0.00 54.91 53.94 3dhw h ALA 259 Cb 1.18 -0.40 0.09 0.00 0.00 0.00 0.00 17.79 18.66 3dhw h ALA 259 CO 0.60 0.66 0.63 -1.21 0.00 0.00 0.00 179.25 179.93 3dhw s GLU 260 N -6.07 3.96 -0.09 0.00 2.02 -1.26 -4.63 118.70 112.63 3dhw s GLU 260 Ca -0.13 2.19 -0.19 0.00 0.02 0.00 0.00 54.97 56.87 3dhw s GLU 260 Cb 0.18 -2.77 -0.04 0.00 0.10 0.00 0.00 34.13 31.60 3dhw s GLU 260 CO 0.82 -0.51 0.51 -1.25 0.02 0.00 0.00 175.26 174.84 3dhw s PRO 261 N -2.24 4.32 0.06 0.39 0.04 -1.26 -4.60 135.00 131.71 3dhw s PRO 261 Ca 0.57 0.52 -0.03 0.00 0.04 0.00 0.00 61.00 62.09 3dhw s PRO 261 Cb -0.39 -3.41 -0.03 0.00 0.04 0.00 0.00 34.50 30.71 3dhw s PRO 261 CO 0.50 0.21 0.03 -0.59 0.04 0.00 0.00 177.00 177.20 3dhw s PHE 262 N 0.42 0.42 0.69 0.56 -0.12 -1.26 -5.15 117.98 113.54 3dhw s PHE 262 Ca 0.27 -0.94 -0.13 0.00 -0.05 0.00 0.00 56.93 56.09 3dhw s PHE 262 Cb -0.16 -0.30 0.01 0.00 -0.63 0.00 0.00 43.02 41.95 3dhw s PHE 262 CO 0.12 -0.43 1.09 0.99 -0.05 0.00 0.00 175.22 176.94 3dhw s THR 263 N -3.91 3.42 -1.33 -4.49 2.01 -1.26 -4.18 115.64 105.90 3dhw s THR 263 Ca 0.07 0.58 -0.08 0.00 0.31 0.00 0.00 61.69 62.57 3dhw s THR 263 Cb 0.07 -3.11 0.01 0.00 0.01 0.00 0.00 72.50 69.48 3dhw s THR 263 CO -0.10 -0.49 1.16 0.47 -0.69 0.00 0.00 174.62 174.97 3dhw n ASP 264 N -2.76 -5.84 -4.03 3.53 8.00 -1.26 -5.04 116.55 109.16 3dhw n ASP 264 Ca 0.09 -0.55 -0.10 0.00 0.71 0.00 0.00 54.79 54.95 3dhw n ASP 264 Cb 0.53 -5.04 -0.06 0.00 -0.02 0.00 0.00 41.12 36.53 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 -4.04 2.44 0.24 0.00 1.01 -1.26 -5.00 120.40 113.80 3dhw s VAL 266 Ca 0.25 -2.37 -0.12 0.00 0.00 0.00 0.00 61.98 59.74 3dhw s VAL 266 Cb 0.01 -2.27 -0.08 0.00 0.00 0.00 0.00 36.38 34.03 3dhw s VAL 266 CO 0.10 -0.39 0.61 -2.16 0.00 0.00 0.00 175.10 173.26 3dhw s PRO 267 N -3.45 3.89 -0.23 2.72 0.04 -1.26 -0.32 135.00 136.39 3dhw s PRO 267 Ca 0.29 0.43 -0.10 0.00 0.04 0.00 0.00 61.00 61.66 3dhw s PRO 267 Cb -0.05 -2.63 -0.05 0.00 0.04 0.00 0.00 34.50 31.81 3dhw s PRO 267 CO 0.14 0.30 0.14 1.41 0.04 0.00 0.00 177.00 179.03 3dhw s MET 268 N -2.73 4.09 0.05 4.56 1.75 -0.43 -2.33 119.30 124.26 3dhw s MET 268 Ca 0.48 -0.26 0.09 0.00 -1.25 0.00 0.00 55.69 54.74 3dhw s MET 268 Cb -0.12 -3.48 -0.03 0.00 2.84 0.00 0.00 34.83 34.04 3dhw s MET 268 CO 0.20 0.13 -0.24 -0.51 -0.65 0.00 0.00 175.02 173.95 3dhw s LEU 269 N 0.84 2.29 -0.27 4.11 1.43 0.50 -1.62 118.68 125.95 3dhw s LEU 269 Ca 0.07 -0.56 -0.10 0.00 -1.03 0.00 0.00 54.13 52.52 3dhw s LEU 269 Cb -0.13 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 3dhw s LEU 269 CO 0.02 0.25 0.14 -0.60 0.23 0.00 0.00 176.35 176.40 3dhw s ARG 270 N -1.34 3.83 -0.17 1.70 3.00 -1.11 -0.40 118.95 124.46 3dhw s ARG 270 Ca 0.13 -0.39 -0.04 0.00 -1.00 0.00 0.00 55.73 54.43 3dhw s ARG 270 Cb -0.10 -3.53 -0.02 0.00 0.00 0.00 0.00 34.95 31.30 3dhw s ARG 270 CO 0.03 -0.19 -0.04 -0.51 0.00 0.00 0.00 175.30 174.59 3dhw s LEU 271 N 1.70 3.15 -0.10 -0.88 1.43 0.11 -2.87 118.68 121.23 3dhw s LEU 271 Ca 0.07 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.01 3dhw s LEU 271 Cb -0.16 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.30 3dhw s LEU 271 CO 0.08 0.13 -0.23 -0.70 0.23 0.00 0.00 176.35 175.86 3dhw s GLU 272 N 0.59 2.96 -0.26 1.70 2.12 0.85 0.44 118.70 127.10 3dhw s GLU 272 Ca -0.03 -0.85 -0.11 0.00 0.36 0.00 0.00 54.97 54.34 3dhw s GLU 272 Cb -0.14 -2.24 -0.05 0.00 0.26 0.00 0.00 34.13 31.95 3dhw s GLU 272 CO 0.03 0.17 0.18 -0.06 -0.54 0.00 0.00 175.26 175.03 3dhw s PHE 273 N 0.37 3.26 0.63 5.30 0.08 -1.07 -0.91 117.98 125.63 3dhw s PHE 273 Ca -0.19 0.16 -0.11 0.00 0.12 0.00 0.00 56.93 56.91 3dhw s PHE 273 Cb -0.18 -2.34 -0.04 0.00 -0.57 0.00 0.00 43.02 39.90 3dhw s PHE 273 CO 0.09 -0.07 1.03 0.95 -0.10 0.00 0.00 175.22 177.12 3dhw s THR 274 N 1.48 4.62 -0.13 0.64 -4.23 -1.16 -4.32 115.64 112.54 3dhw s THR 274 Ca 0.07 0.85 -0.05 0.00 -1.18 0.00 0.00 61.69 61.38 3dhw s THR 274 Cb -0.15 -3.84 -0.05 0.00 1.34 0.00 0.00 72.50 69.80 3dhw s THR 274 CO 0.08 -1.11 1.04 0.61 -0.54 0.00 0.00 174.62 174.71 3dhw n GLY 275 N -2.77 -0.03 0.00 3.99 0.00 -1.26 -4.56 105.19 100.56 3dhw n GLY 275 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3dhw n GLY 275 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dhw n GLN 276 N 4.86 0.00 0.00 1.61 3.00 -1.26 -5.08 117.38 120.51 3dhw n GLN 276 Ca 0.07 0.49 0.00 0.00 -0.01 0.00 0.00 57.00 57.55 3dhw n GLN 276 Cb 0.43 -0.99 0.00 0.00 0.00 0.00 0.00 30.24 29.68 3dhw n GLN 276 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 3dhw n SER 277 N -2.00 0.00 -0.22 1.08 7.64 -1.26 -4.94 113.62 113.91 3dhw n SER 277 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 3dhw n SER 277 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 3dhw n SER 277 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3dhw h VAL 278 N 2.54 1.26 0.00 0.44 2.07 -1.98 -2.90 116.25 117.68 3dhw h VAL 278 Ca 0.00 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.55 3dhw h VAL 278 Cb 0.00 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3dhw h VAL 278 CO 0.00 0.36 0.00 0.47 0.02 0.00 0.00 177.57 178.42 3dhw n ASP 279 N -4.30 0.01 -3.92 0.57 8.00 -1.26 -4.39 116.55 111.25 3dhw n ASP 279 Ca 0.04 -0.01 -0.29 0.00 0.71 0.00 0.00 54.79 55.24 3dhw n ASP 279 Cb 0.26 -0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.25 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 1.01 3.85 -0.48 2.24 0.00 -1.10 -4.92 121.76 122.36 3dhw s ALA 280 Ca 0.00 -3.82 -0.02 0.00 0.00 0.00 0.00 51.96 48.12 3dhw s ALA 280 Cb 0.00 -2.24 0.26 0.00 0.00 0.00 0.00 23.12 21.14 3dhw s ALA 280 CO 0.00 -2.10 2.17 -0.35 0.00 0.00 0.00 175.76 175.48 3dhw n PRO 281 N 2.06 2.22 -0.32 0.00 -0.04 -1.26 -4.74 135.00 132.91 3dhw n PRO 281 Ca 0.19 -2.31 -0.04 0.00 -0.04 0.00 0.00 63.50 61.31 3dhw n PRO 281 Cb 0.35 -1.94 0.08 0.00 -0.04 0.00 0.00 33.50 31.95 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 2.68 1.00 -0.59 1.53 3.38 -1.96 -2.28 115.31 119.08 3dhw h LEU 282 Ca 0.41 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3dhw h LEU 282 Cb 0.78 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3dhw h LEU 282 CO 1.05 0.73 0.38 -0.07 0.09 0.00 0.00 178.44 180.63 3dhw h LEU 283 N 1.17 0.68 -0.99 1.67 3.38 -2.00 -1.30 115.31 117.93 3dhw h LEU 283 Ca 0.32 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.27 3dhw h LEU 283 Cb -0.12 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 3dhw h LEU 283 CO -0.07 0.50 0.64 0.28 0.09 0.00 0.00 178.44 179.89 3dhw h SER 284 N 0.80 1.15 -0.97 -0.43 0.02 -1.90 -1.11 113.55 111.11 3dhw h SER 284 Ca 0.22 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.14 3dhw h SER 284 Cb -0.08 -0.29 -0.05 0.00 0.14 0.00 0.00 62.40 62.13 3dhw h SER 284 CO -0.05 0.84 0.64 -0.08 -1.14 0.00 0.00 176.83 177.05 3dhw h GLU 285 N 1.34 1.28 -0.09 3.45 4.57 -0.69 0.05 114.58 124.48 3dhw h GLU 285 Ca 0.36 -0.08 -0.08 0.00 -1.18 0.00 0.00 59.36 58.38 3dhw h GLU 285 Cb -0.13 -0.29 -0.01 0.00 -0.16 0.00 0.00 28.75 28.16 3dhw h GLU 285 CO -0.08 0.85 -0.33 1.79 -1.18 0.00 0.00 179.01 180.07 3dhw h THR 286 N 1.32 1.27 0.19 0.32 1.35 -0.55 1.12 112.91 117.92 3dhw h THR 286 Ca 0.36 -1.27 -0.01 0.00 -0.55 0.00 0.00 66.41 64.94 3dhw h THR 286 Cb -0.15 1.56 -0.00 0.00 -1.73 0.00 0.00 68.15 67.83 3dhw h THR 286 CO -0.08 0.38 -0.11 0.00 -0.25 0.00 0.00 175.52 175.46 3dhw h ALA 287 N 1.51 -0.28 -0.37 6.62 0.00 0.22 0.21 119.26 127.17 3dhw h ALA 287 Ca 0.02 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 3dhw h ALA 287 Cb 0.66 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3dhw h ALA 287 CO 0.05 -0.66 -0.38 0.00 0.00 0.00 0.00 179.25 178.25 3dhw h ARG 288 N -0.29 0.91 -0.45 0.00 3.08 -0.46 -3.05 114.38 114.12 3dhw h ARG 288 Ca -0.02 -0.49 -0.13 0.00 0.07 0.00 0.00 59.98 59.41 3dhw h ARG 288 Cb 0.24 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3dhw h ARG 288 CO 0.02 1.14 -0.23 0.00 -1.07 0.00 0.00 179.97 179.83 3dhw h ARG 289 N 0.72 0.95 -0.04 0.04 3.08 0.18 -3.35 114.38 115.95 3dhw h ARG 289 Ca 0.06 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.68 3dhw h ARG 289 Cb 0.98 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.00 3dhw h ARG 289 CO 0.09 1.09 0.00 1.19 -1.07 0.00 0.00 179.97 181.27 3dhw n PHE 290 N -4.14 0.06 -3.28 3.04 3.72 0.70 -4.98 117.46 112.58 3dhw n PHE 290 Ca -0.01 -0.51 -0.15 0.00 -0.05 0.00 0.00 57.45 56.73 3dhw n PHE 290 Cb 0.46 -0.05 0.08 0.00 -0.94 0.00 0.00 39.48 39.03 3dhw n PHE 290 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3dhw n ASN 291 N -0.39 -3.51 -4.40 4.37 3.02 -1.15 -4.81 115.26 108.38 3dhw n ASN 291 Ca 0.02 -0.61 -0.28 0.00 -0.03 0.00 0.00 54.58 53.67 3dhw n ASN 291 Cb 0.28 -4.90 -0.13 0.00 -0.61 0.00 0.00 39.78 34.43 3dhw n ASN 291 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3dhw s VAL 292 N -3.35 2.30 -0.13 2.41 -7.23 -1.25 -4.75 120.40 108.40 3dhw s VAL 292 Ca 0.15 -1.86 0.01 0.00 -1.81 0.00 0.00 61.98 58.47 3dhw s VAL 292 Cb -0.02 -2.05 -0.01 0.00 0.56 0.00 0.00 36.38 34.86 3dhw s VAL 292 CO 0.69 0.01 -0.17 0.20 -0.31 0.00 0.00 175.10 175.53 3dhw s ASN 293 N -2.28 3.67 -0.32 4.85 0.01 0.47 -4.33 114.94 117.00 3dhw s ASN 293 Ca 0.16 -0.43 -0.07 0.00 -0.71 0.00 0.00 52.86 51.82 3dhw s ASN 293 Cb -0.09 -1.54 0.02 0.00 0.41 0.00 0.00 41.25 40.05 3dhw s ASN 293 CO 0.07 0.15 0.11 0.20 -1.51 0.00 0.00 177.10 176.12 3dhw s ASN 294 N 0.45 5.28 -0.26 -1.22 0.01 -1.26 -0.10 114.94 117.84 3dhw s ASN 294 Ca -0.12 -0.93 -0.11 0.00 -0.71 0.00 0.00 52.86 50.99 3dhw s ASN 294 Cb -0.16 -1.89 -0.05 0.00 0.41 0.00 0.00 41.25 39.55 3dhw s ASN 294 CO 0.05 -0.27 0.18 0.20 -1.51 0.00 0.00 177.10 175.75 3dhw s ASN 295 N 1.46 6.07 -0.37 -1.22 0.02 -0.75 -4.98 114.94 115.18 3dhw s ASN 295 Ca 0.01 0.05 -0.12 0.00 -1.02 0.00 0.00 52.86 51.78 3dhw s ASN 295 Cb -0.18 -2.11 0.01 0.00 0.02 0.00 0.00 41.25 38.98 3dhw s ASN 295 CO 0.03 0.00 0.23 -0.63 0.02 0.00 0.00 177.10 176.76 3dhw s ILE 296 N 1.42 4.91 0.13 0.60 1.09 -1.26 -0.70 121.20 127.39 3dhw s ILE 296 Ca 0.07 -0.62 -0.12 0.00 -1.10 0.00 0.00 60.65 58.88 3dhw s ILE 296 Cb -0.15 -3.66 -0.06 0.00 -1.06 0.00 0.00 42.46 37.53 3dhw s ILE 296 CO 0.08 -0.17 1.45 0.40 -0.10 0.00 0.00 174.94 176.59 3dhw h ILE 297 N 5.70 1.28 -3.83 2.92 2.04 -1.32 -3.48 117.51 120.83 3dhw h ILE 297 Ca -0.28 -1.58 -0.09 0.00 1.00 0.00 0.00 64.86 63.91 3dhw h ILE 297 Cb 1.12 1.47 -0.14 0.00 -0.74 0.00 0.00 36.82 38.54 3dhw h ILE 297 CO 0.67 0.52 -0.37 -0.55 0.00 0.00 0.00 178.15 178.43 3dhw s SER 298 N -6.82 0.11 -0.30 1.72 0.15 0.97 -4.95 113.70 104.59 3dhw s SER 298 Ca -0.11 -0.69 -0.25 0.00 0.70 0.00 0.00 55.95 55.59 3dhw s SER 298 Cb 0.10 0.35 0.18 0.00 -1.71 0.00 0.00 66.02 64.94 3dhw s SER 298 CO 0.88 -0.75 1.37 0.00 1.20 0.00 0.00 173.24 175.93 3dhw s ALA 299 N -3.88 -2.18 0.09 5.45 0.00 -1.26 -2.28 121.76 117.71 3dhw s ALA 299 Ca 0.07 1.71 -0.14 0.00 0.00 0.00 0.00 51.96 53.60 3dhw s ALA 299 Cb 0.05 -1.72 0.02 0.00 0.00 0.00 0.00 23.12 21.47 3dhw s ALA 299 CO -0.09 -0.12 0.33 -0.65 0.00 0.00 0.00 175.76 175.23 3dhw s GLN 300 N 0.07 0.95 0.05 0.00 -1.52 -1.06 -4.85 119.66 113.29 3dhw s GLN 300 Ca 0.07 -0.70 -0.01 0.00 -1.95 0.00 0.00 55.36 52.77 3dhw s GLN 300 Cb -0.05 0.41 -0.04 0.00 -0.22 0.00 0.00 33.01 33.11 3dhw s GLN 300 CO -0.14 -0.34 -0.03 -1.64 -0.25 0.00 0.00 175.29 172.89 3dhw s MET 301 N -3.45 0.61 0.14 2.91 -1.94 -1.26 -2.30 119.30 114.00 3dhw s MET 301 Ca 0.01 -1.21 -0.24 0.00 -1.71 0.00 0.00 55.69 52.54 3dhw s MET 301 Cb 0.02 0.20 0.07 0.00 2.01 0.00 0.00 34.83 37.13 3dhw s MET 301 CO -0.09 -0.11 0.72 0.34 -0.01 0.00 0.00 175.02 175.87 3dhw s ASP 302 N -2.89 -0.44 -0.21 3.03 3.68 -1.02 -4.93 116.67 113.88 3dhw s ASP 302 Ca 0.07 -0.12 0.15 0.00 2.13 0.00 0.00 52.55 54.77 3dhw s ASP 302 Cb 0.08 0.56 0.69 0.00 -1.45 0.00 0.00 42.92 42.80 3dhw s ASP 302 CO -0.10 -0.94 1.60 -1.22 0.13 0.00 0.00 175.17 174.65 3dhw n TYR 303 N -0.37 1.57 -1.00 -5.34 4.02 -1.21 0.93 117.16 115.76 3dhw n TYR 303 Ca -0.12 -0.80 -0.39 0.00 -0.01 0.00 0.00 57.90 56.57 3dhw n TYR 303 Cb 0.63 -0.43 -0.05 0.00 -0.02 0.00 0.00 39.34 39.47 3dhw n TYR 303 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3dhw n ALA 304 N 0.10 -2.15 -1.03 -0.72 0.00 -1.03 0.13 120.51 115.81 3dhw n ALA 304 Ca 0.25 0.37 -0.01 0.00 0.00 0.00 0.00 53.44 54.05 3dhw n ALA 304 Cb 1.07 -1.16 -0.00 0.00 0.00 0.00 0.00 19.45 19.35 3dhw n ALA 304 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dhw n GLY 305 N 1.34 0.47 1.49 0.00 0.00 -1.26 -2.97 105.19 104.26 3dhw n GLY 305 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.25 0.73 3.28 -0.02 0.00 0.35 -4.68 105.19 102.59 3dhw n GLY 306 Ca -0.01 0.00 -0.15 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 -2.46 1.31 -0.29 1.61 -7.23 -0.16 -5.03 120.40 108.15 3dhw s VAL 307 Ca 0.00 -2.10 -0.23 0.00 -1.81 0.00 0.00 61.98 57.84 3dhw s VAL 307 Cb 0.00 -1.91 -0.00 0.00 0.56 0.00 0.00 36.38 35.03 3dhw s VAL 307 CO 0.00 -0.70 0.78 -0.54 -0.31 0.00 0.00 175.10 174.33 3dhw s LYS 308 N -3.72 4.01 0.50 4.82 1.02 -1.25 -2.48 119.74 122.64 3dhw s LYS 308 Ca 0.18 0.64 -0.20 0.00 0.02 0.00 0.00 55.97 56.61 3dhw s LYS 308 Cb 0.02 -3.71 -0.08 0.00 -0.52 0.00 0.00 37.83 33.55 3dhw s LYS 308 CO 0.02 -0.62 1.07 -0.06 -0.92 0.00 0.00 175.35 174.84 3dhw s PHE 309 N 2.89 2.89 -0.21 3.18 0.08 0.26 -4.70 117.98 122.37 3dhw s PHE 309 Ca 0.32 1.57 -0.15 0.00 0.12 0.00 0.00 56.93 58.79 3dhw s PHE 309 Cb -0.14 -3.15 0.06 0.00 -0.57 0.00 0.00 43.02 39.21 3dhw s PHE 309 CO 0.11 -1.10 0.53 0.20 -0.10 0.00 0.00 175.22 174.87 3dhw s GLY 310 N -1.87 -0.44 0.08 4.36 0.00 -1.26 -2.45 107.32 105.74 3dhw s GLY 310 Ca 0.69 1.75 -0.04 0.00 0.00 0.00 0.00 44.72 47.12 3dhw s GLY 310 CO 0.23 1.71 0.07 -0.26 0.00 0.00 0.00 173.10 174.86 3dhw s ILE 311 N 1.00 0.17 -0.24 0.90 -5.25 -0.97 -2.61 121.20 114.21 3dhw s ILE 311 Ca -0.06 -1.59 -0.20 0.00 -0.99 0.00 0.00 60.65 57.81 3dhw s ILE 311 Cb -0.06 -1.55 0.06 0.00 2.95 0.00 0.00 42.46 43.87 3dhw s ILE 311 CO -0.09 -0.78 0.62 -0.32 -1.79 0.00 0.00 174.94 172.58 3dhw s MET 312 N -3.92 0.70 -0.25 0.37 1.75 0.17 -2.56 119.30 115.56 3dhw s MET 312 Ca 0.09 0.91 -0.01 0.00 -1.25 0.00 0.00 55.69 55.43 3dhw s MET 312 Cb 0.07 0.30 0.03 0.00 2.84 0.00 0.00 34.83 38.07 3dhw s MET 312 CO -0.08 -0.10 -0.08 -0.51 -0.65 0.00 0.00 175.02 173.60 3dhw s LEU 313 N 0.58 3.19 0.22 4.11 1.43 -0.96 0.09 118.68 127.33 3dhw s LEU 313 Ca -0.02 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.11 3dhw s LEU 313 Cb -0.05 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 3dhw s LEU 313 CO -0.03 -0.14 0.10 0.42 0.23 0.00 0.00 176.35 176.94 3dhw s THR 314 N 1.28 0.33 -0.09 5.49 -4.23 0.46 -0.02 115.64 118.85 3dhw s THR 314 Ca -0.01 -1.99 -0.02 0.00 -1.18 0.00 0.00 61.69 58.48 3dhw s THR 314 Cb -0.17 -2.52 -0.03 0.00 1.34 0.00 0.00 72.50 71.11 3dhw s THR 314 CO -0.05 -0.05 -0.00 -1.61 -0.54 0.00 0.00 174.62 172.37 3dhw s GLU 315 N -4.08 3.07 -0.26 3.99 2.02 0.13 0.19 118.70 123.76 3dhw s GLU 315 Ca 0.37 -0.42 0.02 0.00 0.02 0.00 0.00 54.97 54.96 3dhw s GLU 315 Cb 0.07 -2.82 0.07 0.00 0.10 0.00 0.00 34.13 31.56 3dhw s GLU 315 CO 0.12 0.65 -0.04 1.41 0.02 0.00 0.00 175.26 177.41 3dhw s MET 316 N -0.73 1.69 0.04 1.61 1.75 -0.98 -1.80 119.30 120.87 3dhw s MET 316 Ca 0.11 -1.19 -0.25 0.00 -1.25 0.00 0.00 55.69 53.12 3dhw s MET 316 Cb -0.12 -2.70 -0.05 0.00 2.84 0.00 0.00 34.83 34.80 3dhw s MET 316 CO 0.02 -0.66 0.76 -1.01 -0.65 0.00 0.00 175.02 173.48 3dhw s HIS 317 N 1.28 3.73 -1.66 4.11 3.76 0.86 -4.46 115.29 122.90 3dhw s HIS 317 Ca -0.03 1.45 0.00 0.00 -0.15 0.00 0.00 55.06 56.33 3dhw s HIS 317 Cb -0.19 -2.81 0.00 0.00 1.11 0.00 0.00 32.58 30.69 3dhw s HIS 317 CO -0.07 0.27 0.00 0.41 -0.85 0.00 0.00 174.74 174.49 3dhw n GLY 318 N 2.43 -1.35 3.87 -2.22 0.00 -1.26 -0.39 105.19 106.26 3dhw n GLY 318 Ca -0.02 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.85 4.72 0.21 2.61 -4.23 -1.26 -4.84 115.64 110.00 3dhw s THR 319 Ca 0.00 0.85 -0.10 0.00 -1.18 0.00 0.00 61.69 61.26 3dhw s THR 319 Cb 0.00 -3.87 0.16 0.00 1.34 0.00 0.00 72.50 70.13 3dhw s THR 319 CO 0.00 -1.13 1.88 1.56 -0.54 0.00 0.00 174.62 176.40 3dhw h GLN 320 N -0.27 1.00 -0.89 3.99 4.20 -2.01 -2.15 115.11 118.99 3dhw h GLN 320 Ca -0.44 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.20 3dhw h GLN 320 Cb 1.19 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 28.70 3dhw h GLN 320 CO 0.62 0.66 0.54 1.96 -0.67 0.00 0.00 178.83 181.94 3dhw h GLN 321 N 1.03 1.20 -0.83 1.46 4.20 -1.98 -2.59 115.11 117.60 3dhw h GLN 321 Ca 0.28 -0.11 0.01 0.00 0.06 0.00 0.00 58.65 58.89 3dhw h GLN 321 Cb -0.11 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 27.38 3dhw h GLN 321 CO -0.06 0.84 0.55 -0.44 -0.67 0.00 0.00 178.83 179.04 3dhw h ASP 322 N 1.22 0.96 -0.84 1.46 3.32 -1.72 0.47 116.42 121.29 3dhw h ASP 322 Ca 0.32 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 3dhw h ASP 322 Cb -0.06 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.21 3dhw h ASP 322 CO -0.06 0.70 0.40 0.71 -1.72 0.00 0.00 179.24 179.27 3dhw h THR 323 N 1.13 1.26 -0.94 0.35 1.35 -1.17 0.24 112.91 115.12 3dhw h THR 323 Ca 0.30 -0.74 -0.01 0.00 -0.55 0.00 0.00 66.41 65.42 3dhw h THR 323 Cb -0.12 0.19 -0.05 0.00 -1.73 0.00 0.00 68.15 66.44 3dhw h THR 323 CO -0.06 0.32 0.57 1.56 -0.25 0.00 0.00 175.52 177.65 3dhw h GLN 324 N 1.20 1.28 -0.11 4.72 4.20 -0.68 0.90 115.11 126.63 3dhw h GLN 324 Ca 0.29 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3dhw h GLN 324 Cb 0.13 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 3dhw h GLN 324 CO -0.04 0.90 0.07 0.00 -0.67 0.00 0.00 178.83 179.10 3dhw h ALA 325 N 1.31 0.14 -0.09 3.87 0.00 0.94 -2.31 119.26 123.12 3dhw h ALA 325 Ca 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3dhw h ALA 325 Cb -0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3dhw h ALA 325 CO -0.06 -0.36 0.05 0.00 0.00 0.00 0.00 179.25 178.88 3dhw h ALA 326 N 1.02 0.11 -0.44 0.00 0.00 0.51 1.03 119.26 121.49 3dhw h ALA 326 Ca 0.04 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 3dhw h ALA 326 Cb 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3dhw h ALA 326 CO -0.01 -0.40 -0.30 -0.84 0.00 0.00 0.00 179.25 177.70 3dhw h ILE 327 N 0.11 1.27 -0.47 0.00 3.07 -0.97 0.52 117.51 121.04 3dhw h ILE 327 Ca 0.03 -1.47 0.00 0.00 1.55 0.00 0.00 64.86 64.98 3dhw h ILE 327 Cb -0.01 1.24 -0.02 0.00 -0.27 0.00 0.00 36.82 37.76 3dhw h ILE 327 CO -0.02 0.50 0.31 0.00 -1.05 0.00 0.00 178.15 177.89 3dhw h ALA 328 N 0.83 0.60 -0.07 0.16 0.00 -1.27 0.38 119.26 119.89 3dhw h ALA 328 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3dhw h ALA 328 Cb 0.88 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3dhw h ALA 328 CO 0.08 0.06 0.04 2.35 0.00 0.00 0.00 179.25 181.78 3dhw h TRP 329 N 0.64 0.08 -0.83 0.00 7.01 0.16 -1.15 115.95 121.87 3dhw h TRP 329 Ca 0.17 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.18 3dhw h TRP 329 Cb -0.06 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 26.93 3dhw h TRP 329 CO -0.04 0.05 0.55 -0.07 -2.79 0.00 0.00 178.44 176.14 3dhw h LEU 330 N 0.09 0.95 -0.97 0.65 3.38 0.54 0.46 115.31 120.41 3dhw h LEU 330 Ca 0.02 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3dhw h LEU 330 Cb -0.01 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 3dhw h LEU 330 CO -0.01 0.69 0.63 1.56 0.09 0.00 0.00 178.44 181.40 3dhw h GLN 331 N 1.12 1.29 -0.83 1.13 4.20 -0.03 0.53 115.11 122.52 3dhw h GLN 331 Ca 0.30 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.94 3dhw h GLN 331 Cb -0.13 -0.28 -0.04 0.00 0.30 0.00 0.00 27.48 27.32 3dhw h GLN 331 CO -0.07 0.87 0.55 0.93 -0.67 0.00 0.00 178.83 180.44 3dhw h GLU 332 N 1.32 1.07 -1.69 1.46 4.39 -0.03 -0.45 114.58 120.65 3dhw h GLU 332 Ca 0.35 -0.06 -0.29 0.00 0.34 0.00 0.00 59.36 59.70 3dhw h GLU 332 Cb -0.13 -0.24 -0.12 0.00 -0.10 0.00 0.00 28.75 28.16 3dhw h GLU 332 CO -0.07 0.71 0.31 0.72 -1.16 0.00 0.00 179.01 179.51 3dhw n HIS 333 N -4.42 1.23 -3.87 4.33 8.25 0.18 -4.88 115.22 116.04 3dhw n HIS 333 Ca 0.10 -1.79 -0.29 0.00 -0.26 0.00 0.00 57.72 55.47 3dhw n HIS 333 Cb 0.04 -0.98 0.03 0.00 1.12 0.00 0.00 29.99 30.21 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 0.71 -2.40 -3.99 4.41 8.25 -0.18 -4.89 115.22 117.13 3dhw n HIS 334 Ca 0.29 0.93 -0.34 0.00 -0.26 0.00 0.00 57.72 58.33 3dhw n HIS 334 Cb 0.58 -4.14 -0.15 0.00 1.12 0.00 0.00 29.99 27.40 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 2.87 0.10 1.59 1.01 -0.79 -2.98 120.40 118.90 3dhw s VAL 335 Ca 0.66 -0.67 -0.31 0.00 0.00 0.00 0.00 61.98 61.66 3dhw s VAL 335 Cb -0.32 -2.28 -0.07 0.00 0.00 0.00 0.00 36.38 33.70 3dhw s VAL 335 CO 0.82 0.46 1.32 -0.54 0.00 0.00 0.00 175.10 177.15 3dhw s LYS 336 N 1.41 4.36 -0.01 2.72 -0.14 -0.08 -4.27 119.74 123.72 3dhw s LYS 336 Ca 0.05 1.97 0.01 0.00 -1.36 0.00 0.00 55.97 56.64 3dhw s LYS 336 Cb -0.14 -3.28 0.00 0.00 -1.68 0.00 0.00 37.83 32.74 3dhw s LYS 336 CO -0.07 -0.36 -0.05 0.08 -0.76 0.00 0.00 175.35 174.19 3dhw s VAL 337 N 1.02 0.44 0.08 3.17 1.01 -1.26 -0.11 120.40 124.75 3dhw s VAL 337 Ca 0.62 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.47 3dhw s VAL 337 Cb -0.34 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 3dhw s VAL 337 CO 0.30 0.15 -0.14 -0.70 0.00 0.00 0.00 175.10 174.71 3dhw s GLU 338 N 0.20 0.83 -0.26 2.72 2.12 -1.14 -5.01 118.70 118.16 3dhw s GLU 338 Ca -0.02 -0.98 -0.17 0.00 0.36 0.00 0.00 54.97 54.15 3dhw s GLU 338 Cb -0.06 -0.81 -0.03 0.00 0.26 0.00 0.00 34.13 33.50 3dhw s GLU 338 CO -0.00 0.17 0.49 0.08 -0.54 0.00 0.00 175.26 175.46 3dhw s VAL 339 N -1.40 5.09 0.17 3.70 1.01 -1.26 -2.74 120.40 124.97 3dhw s VAL 339 Ca -0.01 0.84 -0.10 0.00 0.00 0.00 0.00 61.98 62.71 3dhw s VAL 339 Cb -0.09 -3.81 0.05 0.00 0.00 0.00 0.00 36.38 32.53 3dhw s VAL 339 CO 0.02 0.10 1.62 -0.07 0.00 0.00 0.00 175.10 176.77 3dhw h LEU 340 N 8.71 1.04 0.00 3.92 3.38 -1.67 -3.49 115.31 127.20 3dhw h LEU 340 Ca -0.30 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.35 3dhw h LEU 340 Cb 1.14 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3dhw h LEU 340 CO 0.71 1.12 0.00 0.61 0.09 0.00 0.00 178.44 180.97 3dhw n GLY 341 N -0.34 -0.93 3.25 0.83 0.00 -1.24 -4.87 105.19 101.89 3dhw n GLY 341 Ca 0.02 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.86 2.16 -2.62 1.61 1.51 -0.49 -1.31 117.35 115.34 3dhw s TYR 342 Ca 0.00 -0.52 0.27 0.00 -1.01 0.00 0.00 57.07 55.81 3dhw s TYR 342 Cb 0.00 -1.41 0.84 0.00 -0.11 0.00 0.00 41.96 41.29 3dhw s TYR 342 CO 0.00 -0.11 1.63 1.33 -1.11 0.00 0.00 175.55 177.28