#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwc s ARG 2 N 0.00 3.19 0.30 0.03 3.52 -1.26 -5.04 118.95 119.70 3hwc s ARG 2 Ca 0.00 2.12 0.03 0.00 -0.13 0.00 0.00 55.73 57.75 3hwc s ARG 2 Cb 0.00 -2.23 -0.03 0.00 -1.56 0.00 0.00 34.95 31.13 3hwc s ARG 2 CO 0.00 -1.11 0.46 0.95 -0.81 0.00 0.00 175.30 174.79 3hwc s THR 3 N -1.37 5.03 0.31 4.11 -4.23 -1.26 -4.55 115.64 113.69 3hwc s THR 3 Ca 0.71 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 60.46 3hwc s THR 3 Cb -0.38 -3.80 0.27 0.00 1.34 0.00 0.00 72.50 69.93 3hwc s THR 3 CO 0.44 -0.40 1.96 1.23 -0.54 0.00 0.00 174.62 177.31 3hwc h GLY 4 N 0.94 1.13 0.63 3.99 0.00 -1.86 -1.80 103.07 106.11 3hwc h GLY 4 Ca -0.50 -0.40 0.04 0.00 0.00 0.00 0.00 47.33 46.46 3hwc h GLY 4 CO 0.60 0.36 -0.06 1.70 0.00 0.00 0.00 176.54 179.15 3hwc h LYS 5 N 1.02 -0.03 -0.75 4.80 1.63 -1.95 0.17 116.57 121.46 3hwc h LYS 5 Ca 0.31 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.08 3hwc h LYS 5 Cb -0.02 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 3hwc h LYS 5 CO -0.08 -0.02 0.36 1.96 -3.45 0.00 0.00 179.45 178.22 3hwc h GLN 6 N -0.03 1.08 0.57 1.90 4.20 -1.89 -2.03 115.11 118.92 3hwc h GLN 6 Ca 0.08 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 3hwc h GLN 6 Cb 0.16 -0.20 0.01 0.00 0.30 0.00 0.00 27.48 27.74 3hwc h GLN 6 CO -0.18 0.84 -0.28 -0.92 -0.67 0.00 0.00 178.83 177.62 3hwc h TYR 7 N 1.06 -0.72 -0.99 2.96 3.20 -0.78 -1.66 116.97 120.05 3hwc h TYR 7 Ca 0.26 -0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.29 3hwc h TYR 7 Cb 0.12 0.24 -0.10 0.00 1.54 0.00 0.00 36.73 38.52 3hwc h TYR 7 CO 0.01 -0.44 0.59 -0.07 -1.64 0.00 0.00 178.16 176.61 3hwc h LEU 8 N -0.77 0.77 -1.01 2.82 3.38 -0.61 -0.07 115.31 119.83 3hwc h LEU 8 Ca -0.08 0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3hwc h LEU 8 Cb 0.59 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3hwc h LEU 8 CO 0.13 0.30 -0.10 -0.33 0.09 0.00 0.00 178.44 178.53 3hwc h GLU 9 N 0.78 0.60 0.00 1.13 5.08 -1.11 -2.84 114.58 118.23 3hwc h GLU 9 Ca 0.55 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 3hwc h GLU 9 Cb 0.81 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3hwc h GLU 9 CO -0.37 0.70 0.00 -1.13 -1.00 0.00 0.00 179.01 177.21 3hwc n SER 10 N -4.20 0.72 0.11 1.42 3.41 -0.06 -2.56 113.62 112.46 3hwc n SER 10 Ca 0.01 0.67 -0.04 0.00 -0.26 0.00 0.00 58.87 59.26 3hwc n SER 10 Cb 0.33 -0.83 0.09 0.00 -0.26 0.00 0.00 64.21 63.54 3hwc n SER 10 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3hwc h LEU 11 N 0.00 0.07 -6.09 1.04 4.07 -1.31 -3.36 115.31 109.73 3hwc h LEU 11 Ca 0.00 -0.05 -0.73 0.00 0.08 0.00 0.00 57.88 57.18 3hwc h LEU 11 Cb 0.38 -0.02 -0.09 0.00 1.08 0.00 0.00 40.66 42.02 3hwc h LEU 11 CO 0.00 0.76 2.69 -3.20 -1.08 0.00 0.00 178.44 177.61 3hwc n ASN 12 N -3.72 4.93 -0.04 -0.43 5.15 -1.06 -4.52 115.26 115.57 3hwc n ASN 12 Ca -0.01 -2.95 0.02 0.00 -0.60 0.00 0.00 54.58 51.03 3hwc n ASN 12 Cb 0.69 -1.56 0.03 0.00 -0.53 0.00 0.00 39.78 38.41 3hwc n ASN 12 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3hwc n ASP 13 N 4.75 1.75 0.00 1.20 5.68 -1.26 -4.98 116.55 123.69 3hwc n ASP 13 Ca 0.49 -2.11 0.00 0.00 -0.50 0.00 0.00 54.79 52.67 3hwc n ASP 13 Cb 0.36 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 3hwc n ASP 13 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hwc n GLY 14 N -0.62 0.60 3.66 6.12 0.00 -1.26 -4.92 105.19 108.76 3hwc n GLY 14 Ca 0.03 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 3hwc n GLY 14 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hwc n ARG 15 N -2.79 1.36 -3.45 1.61 1.85 -1.26 -4.96 116.66 109.02 3hwc n ARG 15 Ca 0.00 0.50 -0.43 0.00 -1.00 0.00 0.00 57.85 56.92 3hwc n ARG 15 Cb 0.00 -2.27 -0.09 0.00 -1.05 0.00 0.00 32.46 29.04 3hwc n ARG 15 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3hwc s VAL 16 N -1.35 5.14 -0.09 8.89 1.01 -1.26 -4.97 120.40 127.76 3hwc s VAL 16 Ca 0.69 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.83 3hwc s VAL 16 Cb -0.46 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 31.99 3hwc s VAL 16 CO 0.52 -0.40 -0.09 -0.69 0.00 0.00 0.00 175.10 174.43 3hwc s VAL 17 N 1.64 1.06 -0.15 2.92 1.01 -1.26 -0.99 120.40 124.63 3hwc s VAL 17 Ca 0.04 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 3hwc s VAL 17 Cb -0.21 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 3hwc s VAL 17 CO 0.08 0.36 0.13 0.26 0.00 0.00 0.00 175.10 175.93 3hwc s TRP 18 N 1.28 3.49 -0.29 5.22 0.52 0.71 -0.79 118.94 129.09 3hwc s TRP 18 Ca -0.03 0.42 0.03 0.00 0.02 0.00 0.00 56.10 56.54 3hwc s TRP 18 Cb -0.14 -2.03 0.08 0.00 -1.15 0.00 0.00 33.47 30.23 3hwc s TRP 18 CO -0.03 0.53 -0.04 0.08 0.02 0.00 0.00 176.95 177.50 3hwc s VAL 19 N -0.42 2.08 0.00 4.03 1.01 -0.23 0.16 120.40 127.03 3hwc s VAL 19 Ca 0.12 -1.82 0.00 0.00 0.00 0.00 0.00 61.98 60.28 3hwc s VAL 19 Cb -0.12 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.93 3hwc s VAL 19 CO 0.01 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.47 3hwc n GLY 20 N 4.42 3.27 0.00 4.51 0.00 -1.17 -2.45 105.19 113.76 3hwc n GLY 20 Ca -0.07 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 45.89 3hwc n GLY 20 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hwc n ASN 21 N 4.54 0.00 -4.50 1.61 5.03 -1.26 -4.85 115.26 115.83 3hwc n ASN 21 Ca 0.00 0.27 -0.34 0.00 0.87 0.00 0.00 54.58 55.38 3hwc n ASN 21 Cb 0.00 -0.42 -0.12 0.00 -1.02 0.00 0.00 39.78 38.22 3hwc n ASN 21 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 3hwc s GLU 22 N -2.83 3.56 -0.09 3.52 2.12 -1.03 -5.08 118.70 118.87 3hwc s GLU 22 Ca 0.18 -0.54 -0.30 0.00 0.36 0.00 0.00 54.97 54.67 3hwc s GLU 22 Cb 0.18 -2.86 -0.02 0.00 0.26 0.00 0.00 34.13 31.69 3hwc s GLU 22 CO 0.45 0.29 1.15 0.15 -0.54 0.00 0.00 175.26 176.76 3hwc s LYS 23 N 0.23 4.35 -0.19 4.30 1.02 -1.26 -1.07 119.74 127.12 3hwc s LYS 23 Ca -0.03 1.59 -0.22 0.00 0.02 0.00 0.00 55.97 57.32 3hwc s LYS 23 Cb -0.14 -3.58 -0.02 0.00 -0.52 0.00 0.00 37.83 33.57 3hwc s LYS 23 CO 0.03 -0.45 0.69 0.42 -0.92 0.00 0.00 175.35 175.13 3hwc s ILE 24 N 2.33 4.97 0.08 2.17 -1.09 0.03 -4.97 121.20 124.73 3hwc s ILE 24 Ca 0.53 1.32 -0.14 0.00 -2.23 0.00 0.00 60.65 60.14 3hwc s ILE 24 Cb -0.22 -4.00 -0.19 0.00 -1.58 0.00 0.00 42.46 36.46 3hwc s ILE 24 CO 0.20 0.08 1.24 0.44 -1.23 0.00 0.00 174.94 175.67 3hwc h ASP 25 N 7.45 0.91 -2.64 3.58 3.32 -1.94 -3.42 116.42 123.69 3hwc h ASP 25 Ca -0.30 -0.68 -0.39 0.00 0.02 0.00 0.00 57.03 55.67 3hwc h ASP 25 Cb 1.14 -0.27 -0.37 0.00 0.22 0.00 0.00 39.33 40.04 3hwc h ASP 25 CO 0.79 1.46 -0.69 0.21 -1.72 0.00 0.00 179.24 179.30 3hwc s ASN 26 N -7.16 2.05 0.44 6.45 3.04 -1.26 -4.83 114.94 113.66 3hwc s ASN 26 Ca -0.10 -0.59 0.13 0.00 0.04 0.00 0.00 52.86 52.33 3hwc s ASN 26 Cb 0.08 0.12 1.04 0.00 -1.54 0.00 0.00 41.25 40.94 3hwc s ASN 26 CO 0.91 -0.36 2.01 0.58 -3.04 0.00 0.00 177.10 177.20 3hwc h VAL 27 N 6.35 0.94 0.00 -5.21 2.07 -1.83 0.74 116.25 119.31 3hwc h VAL 27 Ca -0.17 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3hwc h VAL 27 Cb 1.11 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3hwc h VAL 27 CO 0.32 0.07 0.00 0.00 0.02 0.00 0.00 177.57 177.98 3hwc h ALA 28 N 1.74 1.00 0.00 1.67 0.00 -1.87 -3.21 119.26 118.59 3hwc h ALA 28 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hwc h ALA 28 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hwc h ALA 28 CO -0.06 0.00 -0.80 2.41 0.00 0.00 0.00 179.25 180.80 3hwc n THR 29 N -2.90 0.00 -1.85 0.00 -1.04 -0.56 -4.52 114.28 103.41 3hwc n THR 29 Ca -0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 3hwc n THR 29 Cb 0.22 -0.54 -0.01 0.00 -1.82 0.00 0.00 70.33 68.18 3hwc n THR 29 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3hwc s HIS 30 N -1.76 2.73 0.52 -1.42 2.46 0.15 -4.66 115.29 113.30 3hwc s HIS 30 Ca 0.00 1.08 0.25 0.00 0.47 0.00 0.00 55.06 56.86 3hwc s HIS 30 Cb 0.00 -3.98 1.38 0.00 -0.13 0.00 0.00 32.58 29.86 3hwc s HIS 30 CO 0.00 -2.99 1.98 -1.35 -2.47 0.00 0.00 174.74 169.90 3hwc h PRO 31 N 3.75 0.03 0.00 2.88 0.11 -1.93 0.67 132.00 137.50 3hwc h PRO 31 Ca -0.49 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3hwc h PRO 31 Cb 1.23 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hwc h PRO 31 CO 0.70 0.02 -0.02 -0.07 -0.21 0.00 0.00 178.00 178.41 3hwc h LEU 32 N 0.03 0.00 0.00 2.35 4.07 -1.95 -3.39 115.31 116.42 3hwc h LEU 32 Ca 0.29 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.25 3hwc h LEU 32 Cb 1.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.84 3hwc h LEU 32 CO -0.01 0.02 -0.50 0.35 -1.08 0.00 0.00 178.44 177.23 3hwc n THR 33 N -3.11 0.00 0.16 0.22 -2.24 -0.34 -4.82 114.28 104.15 3hwc n THR 33 Ca 0.03 -0.01 0.05 0.00 -2.27 0.00 0.00 64.05 61.86 3hwc n THR 33 Cb 0.50 0.29 0.51 0.00 -2.10 0.00 0.00 70.33 69.53 3hwc n THR 33 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 3hwc h ARG 34 N 0.00 0.18 -0.13 -0.78 0.11 0.28 -2.20 114.38 111.84 3hwc h ARG 34 Ca 0.00 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 60.02 3hwc h ARG 34 Cb 0.00 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.04 3hwc h ARG 34 CO 0.00 0.19 -0.09 -0.44 0.10 0.00 0.00 179.97 179.73 3hwc h ASP 35 N 0.18 0.31 -0.49 0.08 5.19 -1.83 -0.77 116.42 119.08 3hwc h ASP 35 Ca 0.05 -0.44 -0.11 0.00 -0.62 0.00 0.00 57.03 55.90 3hwc h ASP 35 Cb 0.11 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.52 3hwc h ASP 35 CO 0.00 0.68 -0.10 0.22 -3.12 0.00 0.00 179.24 176.92 3hwc h TYR 36 N -0.07 1.08 -0.88 4.55 5.03 -1.63 -1.96 116.97 123.09 3hwc h TYR 36 Ca 0.03 -0.22 0.11 0.00 2.58 0.00 0.00 58.73 61.23 3hwc h TYR 36 Cb 0.58 -0.27 -0.08 0.00 1.55 0.00 0.00 36.73 38.51 3hwc h TYR 36 CO 0.07 1.01 0.51 0.00 -1.32 0.00 0.00 178.16 178.44 3hwc h ALA 37 N 1.00 1.29 0.00 1.82 0.00 -1.29 0.48 119.26 122.56 3hwc h ALA 37 Ca 0.14 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hwc h ALA 37 Cb 0.65 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3hwc h ALA 37 CO 0.05 0.11 0.00 0.93 0.00 0.00 0.00 179.25 180.34 3hwc h GLU 38 N 0.83 0.00 -0.27 0.00 5.08 -0.67 0.88 114.58 120.43 3hwc h GLU 38 Ca 0.44 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.63 3hwc h GLU 38 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3hwc h GLU 38 CO -0.27 0.00 -0.47 0.00 -1.00 0.00 0.00 179.01 177.27 3hwc h ARG 39 N 0.00 0.80 -0.46 2.33 2.47 -0.19 0.21 114.38 119.54 3hwc h ARG 39 Ca 0.00 -0.50 -0.08 0.00 -1.26 0.00 0.00 59.98 58.15 3hwc h ARG 39 Cb 0.59 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.95 3hwc h ARG 39 CO 0.00 1.13 -0.01 0.28 0.56 0.00 0.00 179.97 181.92 3hwc h VAL 40 N 0.55 1.26 -0.83 2.04 2.07 -0.74 0.68 116.25 121.28 3hwc h VAL 40 Ca 0.02 -1.08 0.07 0.00 0.82 0.00 0.00 66.70 66.53 3hwc h VAL 40 Cb 1.08 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 31.82 3hwc h VAL 40 CO 0.11 0.37 0.50 0.00 0.02 0.00 0.00 177.57 178.57 3hwc h ALA 41 N 0.91 1.16 -0.75 1.67 0.00 -0.80 -1.76 119.26 119.69 3hwc h ALA 41 Ca 0.13 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3hwc h ALA 41 Cb 0.52 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3hwc h ALA 41 CO 0.03 0.19 0.25 0.37 0.00 0.00 0.00 179.25 180.09 3hwc h GLN 42 N 0.88 1.15 -0.36 0.00 4.15 -0.16 -1.06 115.11 119.71 3hwc h GLN 42 Ca 0.38 -0.24 0.08 0.00 0.77 0.00 0.00 58.65 59.63 3hwc h GLN 42 Cb 0.25 -0.17 -0.07 0.00 0.21 0.00 0.00 27.48 27.69 3hwc h GLN 42 CO -0.20 0.97 -0.14 0.35 -1.93 0.00 0.00 178.83 177.88 3hwc h PHE 43 N 1.10 -0.33 -0.28 3.99 3.57 -0.05 -1.24 116.94 123.71 3hwc h PHE 43 Ca 0.24 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 3hwc h PHE 43 Cb 0.29 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3hwc h PHE 43 CO 0.02 -0.22 0.04 1.88 -2.23 0.00 0.00 178.31 177.80 3hwc h TYR 44 N -0.07 0.50 -0.04 0.41 -1.99 -0.94 -3.11 116.97 111.72 3hwc h TYR 44 Ca 0.18 -0.07 -0.05 0.00 2.00 0.00 0.00 58.73 60.79 3hwc h TYR 44 Cb 0.34 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 38.93 3hwc h TYR 44 CO -0.37 0.58 -0.18 -0.44 -0.00 0.00 0.00 178.16 177.74 3hwc h ASP 45 N 0.27 0.06 -0.93 3.88 3.32 -1.00 -2.44 116.42 119.59 3hwc h ASP 45 Ca 0.08 -0.01 0.16 0.00 0.02 0.00 0.00 57.03 57.28 3hwc h ASP 45 Cb 0.35 -0.02 -0.08 0.00 0.22 0.00 0.00 39.33 39.81 3hwc h ASP 45 CO 0.01 0.26 0.60 0.25 -1.72 0.00 0.00 179.24 178.63 3hwc h LEU 46 N 0.07 0.67 -0.18 1.55 5.85 -1.15 -0.48 115.31 121.62 3hwc h LEU 46 Ca 0.01 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3hwc h LEU 46 Cb 0.37 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3hwc h LEU 46 CO 0.03 0.30 0.00 1.41 -0.34 0.00 0.00 178.44 179.84 3hwc n HIS 47 N -4.60 0.26 1.10 1.25 8.25 -0.92 -1.83 115.22 118.73 3hwc n HIS 47 Ca 0.19 0.10 0.12 0.00 -0.26 0.00 0.00 57.72 57.87 3hwc n HIS 47 Cb 0.53 -0.66 0.16 0.00 1.12 0.00 0.00 29.99 31.14 3hwc n HIS 47 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3hwc n HIS 48 N -1.73 0.00 -1.90 4.41 8.25 -0.19 -4.80 115.22 119.25 3hwc n HIS 48 Ca 0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.07 3hwc n HIS 48 Cb 0.22 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 3hwc n HIS 48 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3hwc s ARG 49 N -2.20 4.01 0.28 -0.41 1.81 -0.76 -4.90 118.95 116.78 3hwc s ARG 49 Ca 0.26 2.19 0.01 0.00 -1.72 0.00 0.00 55.73 56.47 3hwc s ARG 49 Cb 0.19 -4.08 0.55 0.00 -0.45 0.00 0.00 34.95 31.17 3hwc s ARG 49 CO 0.41 -1.07 1.81 -1.35 -0.68 0.00 0.00 175.30 174.43 3hwc h PRO 50 N 10.52 0.86 0.00 3.54 0.11 -1.91 0.03 132.00 145.16 3hwc h PRO 50 Ca -0.41 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hwc h PRO 50 Cb 1.19 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3hwc h PRO 50 CO 0.96 0.57 0.00 -0.40 -0.21 0.00 0.00 178.00 178.92 3hwc n ASP 51 N -4.69 0.07 -0.68 -2.05 5.68 -1.26 -3.10 116.55 110.52 3hwc n ASP 51 Ca 0.19 0.51 0.07 0.00 -0.50 0.00 0.00 54.79 55.05 3hwc n ASP 51 Cb 0.38 -0.53 0.14 0.00 -1.14 0.00 0.00 41.12 39.97 3hwc n ASP 51 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3hwc n LEU 52 N -1.57 2.74 -0.18 -2.12 4.77 -0.03 -4.67 117.00 115.94 3hwc n LEU 52 Ca 0.05 -1.63 0.09 0.00 -0.03 0.00 0.00 56.01 54.50 3hwc n LEU 52 Cb 0.28 -0.18 0.40 0.00 -2.33 0.00 0.00 43.42 41.59 3hwc n LEU 52 CO 0.22 0.63 1.21 -0.61 -1.33 0.00 0.00 177.39 177.51 3hwc h GLN 53 N 2.50 0.63 0.07 3.23 4.15 -1.43 -1.72 115.11 122.54 3hwc h GLN 53 Ca 0.00 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 3hwc h GLN 53 Cb 0.70 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.24 3hwc h GLN 53 CO 0.00 0.42 -0.03 -0.44 -1.93 0.00 0.00 178.83 176.85 3hwc h ASP 54 N 0.65 -0.08 0.34 -0.69 3.45 -1.83 -2.31 116.42 115.95 3hwc h ASP 54 Ca 0.33 -0.53 -0.08 0.00 0.43 0.00 0.00 57.03 57.18 3hwc h ASP 54 Cb 0.44 0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.22 3hwc h ASP 54 CO -0.12 0.55 -0.36 -0.37 -1.57 0.00 0.00 179.24 177.37 3hwc h VAL 55 N -0.76 1.26 0.00 -1.35 -1.51 -1.87 -3.34 116.25 108.68 3hwc h VAL 55 Ca -0.01 -1.25 0.00 0.00 -1.23 0.00 0.00 66.70 64.22 3hwc h VAL 55 Cb 0.60 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 3hwc h VAL 55 CO 0.02 0.36 -1.68 0.18 -1.23 0.00 0.00 177.57 175.21 3hwc n LEU 56 N -4.11 0.01 -4.33 4.19 4.77 -0.66 -4.47 117.00 112.40 3hwc n LEU 56 Ca -0.02 -0.01 -0.17 0.00 -0.03 0.00 0.00 56.01 55.78 3hwc n LEU 56 Cb 0.40 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.39 3hwc n LEU 56 CO 0.39 0.00 -0.40 0.42 -1.33 0.00 0.00 177.39 176.47 3hwc s THR 57 N -3.05 1.44 0.17 -5.08 -4.23 -0.87 -0.29 115.64 103.73 3hwc s THR 57 Ca -0.05 -2.13 -0.12 0.00 -1.18 0.00 0.00 61.69 58.21 3hwc s THR 57 Cb 0.10 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.85 3hwc s THR 57 CO 0.64 -0.56 0.36 0.72 -0.54 0.00 0.00 174.62 175.24 3hwc s PHE 58 N -3.16 0.22 -0.25 3.99 -0.00 -0.25 -4.64 117.98 113.89 3hwc s PHE 58 Ca 0.23 -0.58 -0.19 0.00 -0.00 0.00 0.00 56.93 56.38 3hwc s PHE 58 Cb 0.02 0.09 -0.02 0.00 -0.00 0.00 0.00 43.02 43.10 3hwc s PHE 58 CO 0.06 -0.77 0.59 0.08 -0.00 0.00 0.00 175.22 175.17 3hwc s VAL 59 N -3.93 5.02 1.00 -2.49 1.01 -1.26 -0.87 120.40 118.89 3hwc s VAL 59 Ca 0.14 1.05 -0.14 0.00 0.00 0.00 0.00 61.98 63.02 3hwc s VAL 59 Cb 0.02 -3.90 0.19 0.00 0.00 0.00 0.00 36.38 32.70 3hwc s VAL 59 CO -0.01 0.06 1.15 -0.62 0.00 0.00 0.00 175.10 175.67 3hwc s ASP 60 N 1.45 2.66 0.53 3.32 -1.08 0.75 -4.87 116.67 119.43 3hwc s ASP 60 Ca 0.25 0.83 0.29 0.00 -0.52 0.00 0.00 52.55 53.40 3hwc s ASP 60 Cb -0.16 -1.28 1.47 0.00 -1.46 0.00 0.00 42.92 41.49 3hwc s ASP 60 CO 0.09 -3.07 2.06 0.00 0.52 0.00 0.00 175.17 174.77 3hwc h ALA 61 N -1.85 1.19 -0.33 3.66 0.00 -1.97 -1.50 119.26 118.46 3hwc h ALA 61 Ca -0.49 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3hwc h ALA 61 Cb 1.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3hwc h ALA 61 CO 0.52 0.14 0.00 -0.40 0.00 0.00 0.00 179.25 179.50 3hwc n ASP 62 N -3.50 2.70 -1.01 0.00 3.85 -1.26 -4.89 116.55 112.43 3hwc n ASP 62 Ca -0.01 -2.24 -0.10 0.00 -0.71 0.00 0.00 54.79 51.72 3hwc n ASP 62 Cb 0.25 -0.43 -0.02 0.00 -1.35 0.00 0.00 41.12 39.57 3hwc n ASP 62 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hwc n GLY 63 N 0.68 0.53 3.39 6.12 0.00 -0.56 -5.02 105.19 110.33 3hwc n GLY 63 Ca 0.13 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 3hwc n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hwc s VAL 64 N -2.46 3.31 -0.16 1.61 1.01 -1.25 -4.84 120.40 117.62 3hwc s VAL 64 Ca 0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 3hwc s VAL 64 Cb 0.00 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 3hwc s VAL 64 CO 0.00 0.50 1.46 -0.60 0.00 0.00 0.00 175.10 176.46 3hwc s ARG 65 N 0.51 4.09 0.30 2.72 3.52 -1.26 -0.17 118.95 128.65 3hwc s ARG 65 Ca -0.07 1.77 0.03 0.00 -0.13 0.00 0.00 55.73 57.33 3hwc s ARG 65 Cb -0.15 -3.90 -0.06 0.00 -1.56 0.00 0.00 34.95 29.28 3hwc s ARG 65 CO 0.04 -0.92 0.07 1.03 -0.81 0.00 0.00 175.30 174.70 3hwc s ARG 66 N 3.98 1.56 0.47 5.12 0.52 -0.05 -4.47 118.95 126.08 3hwc s ARG 66 Ca 0.64 -1.85 -0.24 0.00 -0.52 0.00 0.00 55.73 53.76 3hwc s ARG 66 Cb -0.25 -0.66 -0.07 0.00 0.52 0.00 0.00 34.95 34.48 3hwc s ARG 66 CO 0.23 -0.22 1.27 0.45 0.02 0.00 0.00 175.30 177.05 3hwc s SER 67 N -3.42 5.93 0.00 0.23 0.15 -1.26 -1.09 113.70 114.23 3hwc s SER 67 Ca 0.37 2.56 0.15 0.00 0.70 0.00 0.00 55.95 59.72 3hwc s SER 67 Cb 0.08 -2.62 0.83 0.00 -1.71 0.00 0.00 66.02 62.60 3hwc s SER 67 CO 0.15 -1.10 1.33 0.54 1.20 0.00 0.00 173.24 175.35 3hwc n ARG 68 N -0.46 0.38 0.28 5.44 1.74 0.60 -1.88 116.66 122.76 3hwc n ARG 68 Ca 0.07 0.05 0.16 0.00 -0.77 0.00 0.00 57.85 57.36 3hwc n ARG 68 Cb 0.46 -1.50 0.80 0.00 -1.02 0.00 0.00 32.46 31.20 3hwc n ARG 68 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 3hwc h GLN 69 N 0.00 0.00 -0.08 5.56 3.07 -1.90 -2.25 115.11 119.51 3hwc h GLN 69 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3hwc h GLN 69 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.60 3hwc h GLN 69 CO 0.00 0.06 0.00 0.91 0.09 0.00 0.00 178.83 179.89 3hwc n TRP 70 N -3.32 0.08 -3.18 0.06 7.02 -0.79 -4.76 117.44 112.55 3hwc n TRP 70 Ca -0.01 -0.04 -0.38 0.00 -1.02 0.00 0.00 57.50 56.05 3hwc n TRP 70 Cb 0.24 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.07 3hwc n TRP 70 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 3hwc s GLN 71 N -1.92 4.25 -0.22 -0.99 0.74 -0.85 -5.06 119.66 115.62 3hwc s GLN 71 Ca 0.33 0.82 -0.12 0.00 0.05 0.00 0.00 55.36 56.44 3hwc s GLN 71 Cb 0.20 -3.10 -0.05 0.00 1.10 0.00 0.00 33.01 31.16 3hwc s GLN 71 CO 0.31 0.54 0.24 -0.51 -0.55 0.00 0.00 175.29 175.32 3hwc s ASP 72 N -1.35 6.24 0.20 6.67 1.01 -1.26 -5.05 116.67 123.13 3hwc s ASP 72 Ca 0.35 0.27 -0.30 0.00 0.71 0.00 0.00 52.55 53.58 3hwc s ASP 72 Cb -0.19 -2.15 -0.08 0.00 1.01 0.00 0.00 42.92 41.52 3hwc s ASP 72 CO 0.21 0.04 1.10 -2.84 0.21 0.00 0.00 175.17 173.89 3hwc s PRO 73 N 1.02 4.60 0.00 8.23 0.02 -1.26 -4.93 135.00 142.68 3hwc s PRO 73 Ca 0.12 1.73 0.00 0.00 0.02 0.00 0.00 61.00 62.87 3hwc s PRO 73 Cb -0.14 -3.26 0.00 0.00 0.02 0.00 0.00 34.50 31.12 3hwc s PRO 73 CO 0.05 0.10 0.14 1.63 -0.33 0.00 0.00 177.00 178.59 3hwc n LYS 74 N 2.16 4.23 -3.85 5.54 5.02 -1.26 -1.09 118.16 128.91 3hwc n LYS 74 Ca 0.02 -0.14 -0.07 0.00 -2.02 0.00 0.00 58.31 56.09 3hwc n LYS 74 Cb 0.46 -0.62 -0.01 0.00 -0.02 0.00 0.00 35.03 34.84 3hwc n LYS 74 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3hwc s ASP 75 N -0.65 -0.22 0.23 4.39 1.47 -1.26 -4.57 116.67 116.07 3hwc s ASP 75 Ca 0.00 -0.69 -0.06 0.00 1.18 0.00 0.00 52.55 52.97 3hwc s ASP 75 Cb 0.00 0.75 0.41 0.00 -0.34 0.00 0.00 42.92 43.74 3hwc s ASP 75 CO 0.00 -1.40 1.70 0.00 0.68 0.00 0.00 175.17 176.15 3hwc h ALA 76 N 2.00 0.90 -0.82 2.11 0.00 -1.95 -0.06 119.26 121.45 3hwc h ALA 76 Ca -0.21 0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hwc h ALA 76 Cb 1.25 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 3hwc h ALA 76 CO 0.26 -0.31 0.53 0.00 0.00 0.00 0.00 179.25 179.72 3hwc h ALA 77 N 1.57 1.08 -0.41 0.00 0.00 -1.97 -1.18 119.26 118.35 3hwc h ALA 77 Ca 0.39 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 3hwc h ALA 77 Cb 0.63 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3hwc h ALA 77 CO -0.47 0.35 -0.06 0.78 0.00 0.00 0.00 179.25 179.86 3hwc h GLY 78 N 1.02 0.75 1.03 0.00 0.00 -1.48 -2.55 103.07 101.85 3hwc h GLY 78 Ca 0.33 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 3hwc h GLY 78 CO -0.12 0.48 0.41 -2.00 0.00 0.00 0.00 176.54 175.31 3hwc h LEU 79 N 0.65 1.09 -1.35 3.11 5.85 0.02 -1.67 115.31 123.00 3hwc h LEU 79 Ca 0.12 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 3hwc h LEU 79 Cb 0.48 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3hwc h LEU 79 CO 0.03 0.92 -0.32 0.03 -0.34 0.00 0.00 178.44 178.76 3hwc h ARG 80 N 1.19 0.00 -0.40 1.25 3.08 -0.96 0.11 114.38 118.65 3hwc h ARG 80 Ca 0.29 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.27 3hwc h ARG 80 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3hwc h ARG 80 CO -0.04 0.32 -0.02 0.28 -1.07 0.00 0.00 179.97 179.44 3hwc h VAL 81 N 0.00 1.26 0.09 2.04 2.07 -1.03 -0.95 116.25 119.73 3hwc h VAL 81 Ca -0.00 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.47 3hwc h VAL 81 Cb 0.61 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 3hwc h VAL 81 CO 0.04 0.36 -0.12 0.50 0.02 0.00 0.00 177.57 178.36 3hwc h LYS 82 N 0.54 -0.24 -0.67 1.57 3.64 -0.43 -1.46 116.57 119.51 3hwc h LYS 82 Ca 0.11 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 3hwc h LYS 82 Cb 0.51 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 3hwc h LYS 82 CO 0.02 -0.16 0.43 -0.09 -2.27 0.00 0.00 179.45 177.38 3hwc h ARG 83 N -0.25 0.82 -0.48 1.90 2.43 -0.79 -1.06 114.38 116.95 3hwc h ARG 83 Ca 0.02 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3hwc h ARG 83 Cb 0.26 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3hwc h ARG 83 CO -0.06 0.54 0.32 -0.22 -1.51 0.00 0.00 179.97 179.04 3hwc h LYS 84 N 0.84 0.58 0.32 0.20 3.64 -0.98 0.14 116.57 121.30 3hwc h LYS 84 Ca 0.26 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 3hwc h LYS 84 Cb -0.01 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3hwc h LYS 84 CO -0.09 0.38 -0.15 -0.92 -2.27 0.00 0.00 179.45 176.39 3hwc h TYR 85 N 0.59 -0.40 -0.58 1.91 3.20 -0.13 -2.01 116.97 119.56 3hwc h TYR 85 Ca 0.18 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.05 3hwc h TYR 85 Cb 0.02 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 3hwc h TYR 85 CO -0.00 -0.20 0.38 0.45 -1.64 0.00 0.00 178.16 177.15 3hwc h HIS 86 N -0.51 0.72 -0.35 -3.82 3.86 -0.49 -2.63 115.15 111.94 3hwc h HIS 86 Ca -0.04 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 3hwc h HIS 86 Cb 0.38 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 3hwc h HIS 86 CO -0.03 0.45 0.05 0.93 0.86 0.00 0.00 177.93 180.19 3hwc h GLU 87 N 0.78 0.52 -0.56 2.45 5.08 -0.74 -0.45 114.58 121.65 3hwc h GLU 87 Ca 0.21 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 3hwc h GLU 87 Cb -0.08 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3hwc h GLU 87 CO -0.05 0.51 0.16 1.15 -1.00 0.00 0.00 179.01 179.77 3hwc h THR 88 N 0.51 1.24 0.13 1.13 2.02 -1.01 0.37 112.91 117.30 3hwc h THR 88 Ca 0.12 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 3hwc h THR 88 Cb 0.25 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3hwc h THR 88 CO 0.00 0.31 -0.06 0.40 0.37 0.00 0.00 175.52 176.54 3hwc h ILE 89 N 0.78 0.91 -0.16 3.11 1.08 -1.16 -2.90 117.51 119.18 3hwc h ILE 89 Ca 0.18 -0.14 0.01 0.00 -0.39 0.00 0.00 64.86 64.52 3hwc h ILE 89 Cb 0.31 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.04 3hwc h ILE 89 CO -0.00 0.03 0.06 -0.07 -0.69 0.00 0.00 178.15 177.48 3hwc h LEU 90 N -0.23 0.08 -1.99 1.44 4.07 -0.86 -1.88 115.31 115.94 3hwc h LEU 90 Ca -0.02 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 3hwc h LEU 90 Cb 0.19 -0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.92 3hwc h LEU 90 CO 0.03 0.07 -0.10 0.03 -1.08 0.00 0.00 178.44 177.39 3hwc h ARG 91 N 0.14 0.00 0.00 1.13 3.08 -0.98 -0.17 114.38 117.58 3hwc h ARG 91 Ca 0.07 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.00 3hwc h ARG 91 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3hwc h ARG 91 CO -0.06 0.10 -1.20 0.93 -1.07 0.00 0.00 179.97 178.67 3hwc h GLU 92 N 0.00 0.00 -4.77 0.04 4.39 -1.22 -3.41 114.58 109.61 3hwc h GLU 92 Ca -0.00 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 59.02 3hwc h GLU 92 Cb 0.28 0.00 -0.34 0.00 -0.10 0.00 0.00 28.75 28.59 3hwc h GLU 92 CO 0.01 0.21 -0.71 0.42 -1.16 0.00 0.00 179.01 177.79 3hwc s ILE 93 N -3.06 2.89 -1.57 3.13 1.01 -0.75 -4.80 121.20 118.05 3hwc s ILE 93 Ca -0.02 -1.47 -0.11 0.00 0.00 0.00 0.00 60.65 59.05 3hwc s ILE 93 Cb 0.09 -2.69 0.09 0.00 0.01 0.00 0.00 42.46 39.95 3hwc s ILE 93 CO 0.80 -0.14 0.69 0.00 0.00 0.00 0.00 174.94 176.29 3hwc n ALA 94 N 4.59 -1.54 -3.42 9.38 0.00 -1.26 -1.70 120.51 126.56 3hwc n ALA 94 Ca -0.12 -0.07 -0.25 0.00 0.00 0.00 0.00 53.44 53.00 3hwc n ALA 94 Cb 0.43 -2.92 0.03 0.00 0.00 0.00 0.00 19.45 16.98 3hwc n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hwc n ALA 95 N -4.44 -1.12 -3.57 0.00 0.00 -1.26 -1.54 120.51 108.59 3hwc n ALA 95 Ca -0.07 0.22 -0.25 0.00 0.00 0.00 0.00 53.44 53.34 3hwc n ALA 95 Cb 0.57 -3.90 0.07 0.00 0.00 0.00 0.00 19.45 16.19 3hwc n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hwc n GLY 96 N -1.51 -0.54 0.10 0.00 0.00 -0.09 -4.91 105.19 98.23 3hwc n GLY 96 Ca -0.03 0.24 0.12 0.00 0.00 0.00 0.00 46.02 46.34 3hwc n GLY 96 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hwc h SER 97 N -2.48 0.00 -3.28 1.61 0.02 -1.39 -3.47 113.55 104.56 3hwc h SER 97 Ca -0.57 -0.07 -0.59 0.00 -0.84 0.00 0.00 61.79 59.72 3hwc h SER 97 Cb 1.37 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.81 3hwc h SER 97 CO 0.57 0.03 -0.36 -0.31 -1.14 0.00 0.00 176.83 175.63 3hwc s TYR 98 N -3.31 3.45 -0.74 3.45 2.02 -1.26 -4.98 117.35 115.98 3hwc s TYR 98 Ca 0.01 0.54 0.21 0.00 -0.37 0.00 0.00 57.07 57.47 3hwc s TYR 98 Cb 0.11 -2.30 -0.24 0.00 -0.40 0.00 0.00 41.96 39.12 3hwc s TYR 98 CO 0.78 0.26 0.80 0.41 -1.57 0.00 0.00 175.55 176.22 3hwc n GLY 99 N 3.39 -1.01 2.60 0.71 0.00 -1.26 -4.56 105.19 105.05 3hwc n GLY 99 Ca -0.13 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 3hwc n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hwc n ARG 100 N -1.71 2.10 -1.29 1.61 5.12 -1.26 -4.86 116.66 116.37 3hwc n ARG 100 Ca 0.02 -3.68 -0.32 0.00 -1.93 0.00 0.00 57.85 51.94 3hwc n ARG 100 Cb 0.40 -1.70 0.10 0.00 -1.16 0.00 0.00 32.46 30.09 3hwc n ARG 100 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3hwc s LEU 101 N -3.53 3.15 0.38 0.55 1.43 -1.26 -4.86 118.68 114.54 3hwc s LEU 101 Ca 0.34 2.08 0.17 0.00 -1.03 0.00 0.00 54.13 55.69 3hwc s LEU 101 Cb 0.39 -4.56 1.07 0.00 0.03 0.00 0.00 46.19 43.12 3hwc s LEU 101 CO -0.02 -2.24 1.76 -0.65 0.23 0.00 0.00 176.35 175.43 3hwc h PRO 102 N -0.81 0.41 0.00 1.29 0.11 -1.96 0.10 132.00 131.14 3hwc h PRO 102 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hwc h PRO 102 Cb 1.26 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hwc h PRO 102 CO 0.49 0.27 0.00 0.38 -0.21 0.00 0.00 178.00 178.94 3hwc h ASP 103 N 0.43 0.00 -0.08 -2.05 2.03 -1.97 -0.84 116.42 113.94 3hwc h ASP 103 Ca 0.61 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.68 3hwc h ASP 103 Cb 1.47 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.98 3hwc h ASP 103 CO -0.33 0.00 -0.83 0.00 -1.03 0.00 0.00 179.24 177.05 3hwc h ALA 104 N 2.05 0.21 0.00 4.15 0.00 -1.12 -3.39 119.26 121.15 3hwc h ALA 104 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3hwc h ALA 104 Cb 0.45 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3hwc h ALA 104 CO 0.00 0.62 -1.05 -2.39 0.00 0.00 0.00 179.25 176.43 3hwc n HIS 105 N -3.97 0.00 0.06 0.00 1.44 -1.17 -4.27 115.22 107.31 3hwc n HIS 105 Ca -0.09 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.60 3hwc n HIS 105 Cb 0.77 -0.14 0.25 0.00 0.12 0.00 0.00 29.99 31.00 3hwc n HIS 105 CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 3hwc h ASN 106 N 0.00 0.36 0.93 4.39 -0.26 -1.35 -3.06 115.58 116.60 3hwc h ASN 106 Ca 0.00 -0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.62 3hwc h ASN 106 Cb 0.37 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 3hwc h ASN 106 CO 0.00 0.62 0.00 0.00 -1.06 0.00 0.00 177.43 176.99 3hwc n TYR 107 N -4.14 0.89 0.30 1.19 9.36 -1.26 -2.42 117.16 121.08 3hwc n TYR 107 Ca -0.01 0.32 0.17 0.00 3.32 0.00 0.00 57.90 61.71 3hwc n TYR 107 Cb 0.38 -1.02 0.95 0.00 -0.63 0.00 0.00 39.34 39.03 3hwc n TYR 107 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 3hwc h THR 108 N 0.00 0.30 0.00 2.97 1.35 -1.81 -1.98 112.91 113.75 3hwc h THR 108 Ca 0.00 -0.19 -0.01 0.00 -0.55 0.00 0.00 66.41 65.66 3hwc h THR 108 Cb 0.47 1.14 -0.00 0.00 -1.73 0.00 0.00 68.15 68.03 3hwc h THR 108 CO 0.00 0.03 -0.03 -0.26 -0.25 0.00 0.00 175.52 175.01 3hwc h PHE 109 N 0.00 0.00 0.00 4.73 0.04 -1.69 -1.75 116.94 118.27 3hwc h PHE 109 Ca -0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3hwc h PHE 109 Cb 0.14 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.29 3hwc h PHE 109 CO 0.00 0.03 -0.00 1.79 -0.60 0.00 0.00 178.31 179.52 3hwc h THR 110 N 0.00 0.08 -0.86 -1.55 1.35 -1.59 -1.28 112.91 109.06 3hwc h THR 110 Ca -0.00 -0.07 0.09 0.00 -0.55 0.00 0.00 66.41 65.88 3hwc h THR 110 Cb 0.21 1.06 -0.07 0.00 -1.73 0.00 0.00 68.15 67.62 3hwc h THR 110 CO 0.00 0.00 0.51 0.74 -0.25 0.00 0.00 175.52 176.53 3hwc h THR 111 N 0.00 0.94 -0.42 6.82 2.02 -1.52 0.49 112.91 121.22 3hwc h THR 111 Ca -0.00 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 3hwc h THR 111 Cb 0.06 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.46 3hwc h THR 111 CO 0.00 0.16 0.06 1.88 0.37 0.00 0.00 175.52 177.99 3hwc h TYR 112 N 0.86 0.75 -0.91 3.16 -1.99 -1.44 -3.07 116.97 114.34 3hwc h TYR 112 Ca 0.41 -0.11 0.02 0.00 2.00 0.00 0.00 58.73 61.05 3hwc h TYR 112 Cb 0.34 -0.21 -0.05 0.00 2.00 0.00 0.00 36.73 38.82 3hwc h TYR 112 CO -0.05 0.73 0.60 0.00 -0.00 0.00 0.00 178.16 179.44 3hwc h ALA 113 N 0.93 1.39 -0.85 3.88 0.00 -1.25 -0.75 119.26 122.61 3hwc h ALA 113 Ca 0.13 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.14 3hwc h ALA 113 Cb 0.38 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3hwc h ALA 113 CO 0.01 0.55 0.56 -0.44 0.00 0.00 0.00 179.25 179.92 3hwc h ASP 114 N 1.19 0.53 -0.78 0.00 3.32 -0.84 -3.37 116.42 116.47 3hwc h ASP 114 Ca 0.35 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.45 3hwc h ASP 114 Cb -0.07 -0.07 -0.19 0.00 0.22 0.00 0.00 39.33 39.22 3hwc h ASP 114 CO -0.09 0.26 -0.33 -0.62 -1.72 0.00 0.00 179.24 176.74 3hwc s ASP 115 N -5.81 -1.22 0.17 6.45 -1.08 -0.89 -3.95 116.67 110.33 3hwc s ASP 115 Ca -0.09 -0.41 -0.02 0.00 -0.52 0.00 0.00 52.55 51.51 3hwc s ASP 115 Cb 0.22 1.61 0.02 0.00 -1.46 0.00 0.00 42.92 43.31 3hwc s ASP 115 CO 0.78 -0.16 1.40 -0.65 0.52 0.00 0.00 175.17 177.07 3hwc h PRO 116 N 6.88 0.40 -0.83 4.34 0.11 -1.33 -3.35 132.00 138.22 3hwc h PRO 116 Ca 0.01 -0.35 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 3hwc h PRO 116 Cb 1.19 0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.34 3hwc h PRO 116 CO 0.06 1.00 0.43 0.93 -0.21 0.00 0.00 178.00 180.20 3hwc h GLU 117 N 0.26 1.17 -0.46 1.05 3.07 -1.94 -2.90 114.58 114.83 3hwc h GLU 117 Ca -0.04 -0.15 0.02 0.00 -0.50 0.00 0.00 59.36 58.69 3hwc h GLU 117 Cb 1.37 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 29.03 3hwc h GLU 117 CO 0.13 0.88 0.31 -0.24 -1.40 0.00 0.00 179.01 178.69 3hwc h VAL 118 N 1.17 1.08 -0.45 3.13 3.04 -1.97 0.23 116.25 122.47 3hwc h VAL 118 Ca 0.29 -0.19 -0.06 0.00 -1.01 0.00 0.00 66.70 65.73 3hwc h VAL 118 Cb 0.07 0.47 -0.02 0.00 -2.01 0.00 0.00 31.29 29.80 3hwc h VAL 118 CO -0.04 0.10 0.03 -0.50 -1.01 0.00 0.00 177.57 176.15 3hwc h TRP 119 N 0.56 0.75 0.00 3.17 4.06 -1.73 -0.34 115.95 122.43 3hwc h TRP 119 Ca 0.18 -0.09 -0.01 0.00 2.06 0.00 0.00 58.89 61.03 3hwc h TRP 119 Cb 0.02 -0.21 -0.00 0.00 -1.00 0.00 0.00 29.16 27.97 3hwc h TRP 119 CO -0.00 0.69 -0.05 1.49 -3.56 0.00 0.00 178.44 177.01 3hwc h GLU 120 N 0.68 0.00 -0.98 0.49 4.81 -1.36 -3.26 114.58 114.96 3hwc h GLU 120 Ca 0.14 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.51 3hwc h GLU 120 Cb 0.37 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.67 3hwc h GLU 120 CO 0.01 0.94 0.62 -0.22 -0.73 0.00 0.00 179.01 179.63 3hwc h LYS 121 N -1.00 0.88 -0.01 1.92 3.64 -0.54 -1.53 116.57 119.93 3hwc h LYS 121 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3hwc h LYS 121 Cb 0.95 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3hwc h LYS 121 CO -0.01 0.59 -0.11 1.04 -2.27 0.00 0.00 179.45 178.68 3hwc n GLN 122 N -4.63 1.00 -1.95 1.90 1.13 -0.15 -4.90 117.38 109.78 3hwc n GLN 122 Ca 0.19 -0.47 -0.34 0.00 -1.94 0.00 0.00 57.00 54.44 3hwc n GLN 122 Cb 0.41 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.30 3hwc n GLN 122 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 3hwc s SER 123 N -2.32 5.28 -0.16 1.08 0.01 -0.58 -4.49 113.70 112.53 3hwc s SER 123 Ca 0.32 2.14 0.00 0.00 1.31 0.00 0.00 55.95 59.72 3hwc s SER 123 Cb 0.20 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.89 3hwc s SER 123 CO 0.44 -1.51 -0.13 -0.63 0.41 0.00 0.00 173.24 171.82 3hwc s ILE 124 N -2.02 1.58 0.00 1.44 1.01 -0.11 -4.70 121.20 118.41 3hwc s ILE 124 Ca 0.71 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.62 3hwc s ILE 124 Cb -0.23 -1.54 0.00 0.00 0.01 0.00 0.00 42.46 40.69 3hwc s ILE 124 CO 0.35 0.37 0.00 0.61 0.00 0.00 0.00 174.94 176.27 3hwc n GLY 125 N 4.75 0.80 0.68 6.18 0.00 -1.26 -4.32 105.19 112.02 3hwc n GLY 125 Ca -0.16 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 45.79 3hwc n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwc n ALA 126 N -0.90 3.18 -2.06 4.61 0.00 -1.26 -5.07 120.51 119.01 3hwc n ALA 126 Ca 0.00 -2.96 -0.41 0.00 0.00 0.00 0.00 53.44 50.07 3hwc n ALA 126 Cb 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.98 3hwc n ALA 126 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hwc s GLU 127 N -2.50 4.56 0.00 0.00 0.41 -1.26 -2.41 118.70 117.50 3hwc s GLU 127 Ca 0.35 1.77 0.00 0.00 -0.41 0.00 0.00 54.97 56.68 3hwc s GLU 127 Cb 0.35 -3.26 0.00 0.00 -1.78 0.00 0.00 34.13 29.43 3hwc s GLU 127 CO -0.07 0.02 0.00 0.41 -0.49 0.00 0.00 175.26 175.13 3hwc n GLY 128 N 2.08 2.12 3.70 -1.39 0.00 -1.26 -5.02 105.19 105.42 3hwc n GLY 128 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3hwc n GLY 128 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hwc s ARG 129 N -0.63 4.30 -1.37 1.61 1.81 -1.01 -4.98 118.95 118.68 3hwc s ARG 129 Ca 0.00 0.50 -0.12 0.00 -1.72 0.00 0.00 55.73 54.39 3hwc s ARG 129 Cb 0.00 -3.48 0.10 0.00 -0.45 0.00 0.00 34.95 31.12 3hwc s ARG 129 CO 0.00 0.03 2.03 -1.71 -0.68 0.00 0.00 175.30 174.97 3hwc n ASN 130 N 4.10 4.48 -0.27 0.23 4.05 -1.26 -4.73 115.26 121.85 3hwc n ASN 130 Ca -0.05 -2.96 -0.01 0.00 0.45 0.00 0.00 54.58 52.00 3hwc n ASN 130 Cb 0.51 -1.58 0.18 0.00 1.23 0.00 0.00 39.78 40.12 3hwc n ASN 130 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3hwc h LEU 131 N 9.18 0.98 -0.54 1.20 4.07 -1.90 -1.64 115.31 126.66 3hwc h LEU 131 Ca 0.48 -0.04 0.02 0.00 0.08 0.00 0.00 57.88 58.42 3hwc h LEU 131 Cb 0.65 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 42.11 3hwc h LEU 131 CO 1.74 0.74 0.33 0.74 -1.08 0.00 0.00 178.44 180.91 3hwc h THR 132 N 1.14 1.08 -0.06 0.22 2.02 -1.85 -1.32 112.91 114.14 3hwc h THR 132 Ca 0.30 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 67.15 3hwc h THR 132 Cb -0.08 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 3hwc h THR 132 CO -0.06 0.12 -0.43 -0.61 0.37 0.00 0.00 175.52 174.91 3hwc h GLN 133 N 0.67 0.13 -0.56 6.66 5.75 -1.84 -2.65 115.11 123.26 3hwc h GLN 133 Ca 0.21 -0.06 0.03 0.00 -0.15 0.00 0.00 58.65 58.68 3hwc h GLN 133 Cb -0.00 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 3hwc h GLN 133 CO -0.08 0.54 0.34 -0.91 -2.65 0.00 0.00 178.83 176.07 3hwc h ASN 134 N 0.11 0.55 0.45 -0.69 2.35 -0.45 0.03 115.58 117.94 3hwc h ASN 134 Ca 0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3hwc h ASN 134 Cb 0.80 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 3hwc h ASN 134 CO 0.06 0.39 -0.33 0.40 -1.65 0.00 0.00 177.43 176.30 3hwc h ILE 135 N 0.68 0.32 -0.67 2.81 2.04 -0.94 -1.17 117.51 120.58 3hwc h ILE 135 Ca 0.23 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.16 3hwc h ILE 135 Cb 0.02 0.32 -0.06 0.00 -0.74 0.00 0.00 36.82 36.36 3hwc h ILE 135 CO -0.10 0.00 0.34 0.45 0.00 0.00 0.00 178.15 178.85 3hwc h HIS 136 N -0.76 0.62 -0.65 1.37 3.86 -1.35 -0.87 115.15 117.37 3hwc h HIS 136 Ca -0.04 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3hwc h HIS 136 Cb 0.65 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.90 3hwc h HIS 136 CO -0.14 0.26 0.43 -0.91 0.86 0.00 0.00 177.93 178.43 3hwc h ASN 137 N 0.61 0.74 -0.16 2.45 -0.26 -0.74 -1.93 115.58 116.28 3hwc h ASN 137 Ca 0.32 -0.02 -0.15 0.00 -0.56 0.00 0.00 56.30 55.89 3hwc h ASN 137 Cb 0.28 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.36 3hwc h ASN 137 CO -0.23 0.53 -0.47 0.15 -1.06 0.00 0.00 177.43 176.35 3hwc h PHE 138 N 0.87 0.79 -0.85 1.19 3.57 -0.73 -1.88 116.94 119.90 3hwc h PHE 138 Ca 0.24 -0.31 0.17 0.00 3.53 0.00 0.00 57.97 61.60 3hwc h PHE 138 Cb -0.09 -0.14 -0.10 0.00 2.79 0.00 0.00 35.95 38.41 3hwc h PHE 138 CO -0.03 1.08 0.40 -0.07 -2.23 0.00 0.00 178.31 177.46 3hwc h LEU 139 N 0.26 0.43 -0.37 0.59 4.07 -1.07 0.43 115.31 119.64 3hwc h LEU 139 Ca -0.01 0.11 -0.09 0.00 0.08 0.00 0.00 57.88 57.97 3hwc h LEU 139 Cb 1.09 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.88 3hwc h LEU 139 CO 0.10 0.13 -0.12 0.50 -1.08 0.00 0.00 178.44 177.97 3hwc h LYS 140 N 0.52 0.74 0.11 1.13 3.64 -1.27 -2.45 116.57 118.99 3hwc h LYS 140 Ca 0.49 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3hwc h LYS 140 Cb 0.78 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3hwc h LYS 140 CO -0.42 0.90 -0.05 1.25 -2.27 0.00 0.00 179.45 178.85 3hwc h LEU 141 N 0.53 -0.12 -0.59 5.20 5.85 -0.44 -0.67 115.31 125.06 3hwc h LEU 141 Ca 0.09 -0.22 0.12 0.00 0.84 0.00 0.00 57.88 58.71 3hwc h LEU 141 Cb 0.64 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.62 3hwc h LEU 141 CO 0.04 0.15 0.07 0.25 -0.34 0.00 0.00 178.44 178.62 3hwc h LEU 142 N -0.41 -0.12 0.10 2.25 5.85 -0.22 0.69 115.31 123.45 3hwc h LEU 142 Ca -0.02 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3hwc h LEU 142 Cb 0.34 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3hwc h LEU 142 CO 0.02 -0.05 -0.05 -0.09 -0.34 0.00 0.00 178.44 177.94 3hwc h ARG 143 N 0.19 -0.13 -0.01 1.25 2.43 -1.40 -0.22 114.38 116.48 3hwc h ARG 143 Ca 0.31 0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.34 3hwc h ARG 143 Cb 0.48 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 3hwc h ARG 143 CO -0.45 0.34 -0.69 0.93 -1.51 0.00 0.00 179.97 178.60 3hwc h GLU 144 N -0.70 0.05 -0.00 0.20 5.08 -0.97 -2.38 114.58 115.85 3hwc h GLU 144 Ca -0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3hwc h GLU 144 Cb 0.54 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3hwc h GLU 144 CO 0.02 0.71 -0.33 1.63 -1.00 0.00 0.00 179.01 180.05 3hwc n LYS 145 N -3.74 0.35 -3.50 2.33 4.76 0.22 -4.96 118.16 113.62 3hwc n LYS 145 Ca -0.01 -0.18 -0.19 0.00 -2.87 0.00 0.00 58.31 55.05 3hwc n LYS 145 Cb 0.67 -1.50 0.08 0.00 -1.84 0.00 0.00 35.03 32.45 3hwc n LYS 145 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3hwc n ASP 146 N -1.16 -2.65 -4.88 4.39 4.64 -0.71 -4.83 116.55 111.34 3hwc n ASP 146 Ca 0.09 -0.63 -0.30 0.00 -1.38 0.00 0.00 54.79 52.57 3hwc n ASP 146 Cb 0.33 -4.96 0.02 0.00 -1.04 0.00 0.00 41.12 35.47 3hwc n ASP 146 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3hwc s LEU 147 N -6.56 3.20 -0.23 -2.67 1.43 -0.18 -4.85 118.68 108.82 3hwc s LEU 147 Ca 0.10 1.19 -0.03 0.00 -1.03 0.00 0.00 54.13 54.36 3hwc s LEU 147 Cb -0.05 -4.13 0.01 0.00 0.03 0.00 0.00 46.19 42.06 3hwc s LEU 147 CO 0.74 -0.98 -0.06 0.21 0.23 0.00 0.00 176.35 176.50 3hwc s ASN 148 N -4.23 4.25 -0.55 2.29 2.47 -1.26 -4.94 114.94 112.96 3hwc s ASN 148 Ca 0.55 -0.63 0.04 0.00 0.42 0.00 0.00 52.86 53.23 3hwc s ASN 148 Cb -0.11 -1.69 0.17 0.00 -1.45 0.00 0.00 41.25 38.16 3hwc s ASN 148 CO 0.51 -0.07 0.40 0.00 -3.72 0.00 0.00 177.10 174.22 3hwc n PRO 150 N 2.51 1.27 -2.37 0.00 -0.02 -1.24 -4.41 135.00 130.73 3hwc n PRO 150 Ca 0.23 0.47 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 3hwc n PRO 150 Cb 0.40 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 3hwc n PRO 150 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hwc s LEU 151 N -2.31 4.45 -0.56 2.45 1.43 -1.26 -0.17 118.68 122.71 3hwc s LEU 151 Ca 0.72 2.25 0.05 0.00 -1.03 0.00 0.00 54.13 56.12 3hwc s LEU 151 Cb -0.44 -3.61 0.19 0.00 0.03 0.00 0.00 46.19 42.36 3hwc s LEU 151 CO 0.49 -0.36 0.47 -3.20 0.23 0.00 0.00 176.35 173.98 3hwc n ASN 152 N 2.41 1.57 -0.03 2.29 2.85 0.60 -4.42 115.26 120.52 3hwc n ASN 152 Ca 0.04 -2.89 -0.01 0.00 -0.11 0.00 0.00 54.58 51.61 3hwc n ASN 152 Cb 0.45 -0.66 -0.08 0.00 1.24 0.00 0.00 39.78 40.73 3hwc n ASN 152 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3hwc n PHE 153 N 2.08 0.00 -2.26 1.20 3.01 -1.26 -2.94 117.46 117.29 3hwc n PHE 153 Ca 0.25 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.30 3hwc n PHE 153 Cb 0.42 -0.39 -0.03 0.00 -0.01 0.00 0.00 39.48 39.47 3hwc n PHE 153 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3hwc s VAL 154 N -2.40 3.30 0.25 -4.37 1.01 -1.26 -4.38 120.40 112.56 3hwc s VAL 154 Ca -0.04 1.08 0.06 0.00 0.00 0.00 0.00 61.98 63.07 3hwc s VAL 154 Cb 0.04 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 3hwc s VAL 154 CO 0.41 0.16 0.31 -1.81 0.00 0.00 0.00 175.10 174.17 3hwc s ASP 155 N 0.29 6.00 0.53 3.32 1.01 -1.26 0.18 116.67 126.74 3hwc s ASP 155 Ca 0.56 -0.07 -0.22 0.00 0.71 0.00 0.00 52.55 53.53 3hwc s ASP 155 Cb -0.35 -1.64 -0.06 0.00 1.01 0.00 0.00 42.92 41.87 3hwc s ASP 155 CO 0.38 -0.09 1.30 -2.65 0.21 0.00 0.00 175.17 174.32 3hwc n PRO 156 N -1.34 1.65 -1.45 8.23 -0.02 -1.26 -4.60 135.00 136.20 3hwc n PRO 156 Ca -0.08 0.60 -0.37 0.00 -2.02 0.00 0.00 63.50 61.64 3hwc n PRO 156 Cb 0.57 -2.50 0.07 0.00 -0.02 0.00 0.00 33.50 31.62 3hwc n PRO 156 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3hwc n GLN 157 N -0.84 0.61 -2.21 -0.52 6.02 -1.26 -4.94 117.38 114.25 3hwc n GLN 157 Ca 0.10 0.25 -0.42 0.00 -0.01 0.00 0.00 57.00 56.93 3hwc n GLN 157 Cb 0.44 -2.07 -0.03 0.00 1.02 0.00 0.00 30.24 29.60 3hwc n GLN 157 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3hwc s THR 158 N -1.71 3.32 -0.26 5.09 2.01 -1.26 -4.98 115.64 117.85 3hwc s THR 158 Ca 0.73 1.00 -0.29 0.00 0.31 0.00 0.00 61.69 63.44 3hwc s THR 158 Cb -0.38 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.49 3hwc s THR 158 CO 0.50 0.11 1.20 -0.62 -0.69 0.00 0.00 174.62 175.12 3hwc s ASP 159 N 0.76 6.88 -0.02 3.53 3.68 -1.26 -4.91 116.67 125.32 3hwc s ASP 159 Ca 0.61 1.33 0.14 0.00 2.13 0.00 0.00 52.55 56.76 3hwc s ASP 159 Cb -0.36 -2.54 0.45 0.00 -1.45 0.00 0.00 42.92 39.02 3hwc s ASP 159 CO 0.34 -0.88 1.36 0.54 0.13 0.00 0.00 175.17 176.65 3hwc n ARG 160 N 6.86 2.36 -1.66 4.34 1.74 -1.26 -4.73 116.66 124.31 3hwc n ARG 160 Ca 0.13 -1.82 -0.44 0.00 -0.77 0.00 0.00 57.85 54.95 3hwc n ARG 160 Cb 0.46 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.41 3hwc n ARG 160 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3hwc n SER 161 N 0.86 2.42 0.12 0.55 7.64 -1.26 -4.85 113.62 119.11 3hwc n SER 161 Ca 0.17 1.18 0.19 0.00 1.01 0.00 0.00 58.87 61.41 3hwc n SER 161 Cb 0.49 -1.42 0.77 0.00 -1.01 0.00 0.00 64.21 63.04 3hwc n SER 161 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 3hwc h SER 162 N 3.03 0.00 -0.52 6.43 0.87 -2.06 -1.17 113.55 120.13 3hwc h SER 162 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 3hwc h SER 162 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 3hwc h SER 162 CO 0.67 0.00 0.00 -0.90 -0.53 0.00 0.00 176.83 176.07 3hwc n ASP 163 N -3.89 3.78 -0.33 6.23 5.68 -1.26 -4.63 116.55 122.12 3hwc n ASP 163 Ca 0.05 -2.23 0.08 0.00 -0.50 0.00 0.00 54.79 52.20 3hwc n ASP 163 Cb 0.49 -0.42 0.25 0.00 -1.14 0.00 0.00 41.12 40.29 3hwc n ASP 163 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hwc h ALA 164 N 3.12 1.45 0.00 2.12 0.00 -1.50 -1.54 119.26 122.91 3hwc h ALA 164 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hwc h ALA 164 Cb 1.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3hwc h ALA 164 CO 0.08 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.40 3hwc n ALA 165 N -2.37 2.11 -0.17 0.00 0.00 -1.26 -2.20 120.51 116.63 3hwc n ALA 165 Ca 0.19 -0.10 0.05 0.00 0.00 0.00 0.00 53.44 53.58 3hwc n ALA 165 Cb 0.42 -1.28 0.14 0.00 0.00 0.00 0.00 19.45 18.73 3hwc n ALA 165 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hwc n GLN 166 N -1.03 2.88 -4.14 0.00 6.02 -0.58 -5.00 117.38 115.53 3hwc n GLN 166 Ca 0.12 -2.02 -0.12 0.00 -0.01 0.00 0.00 57.00 54.97 3hwc n GLN 166 Cb 0.07 -1.25 -0.08 0.00 1.02 0.00 0.00 30.24 30.00 3hwc n GLN 166 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hwc s ALA 167 N -1.00 0.82 0.42 -1.58 0.00 -0.93 -5.15 121.76 114.33 3hwc s ALA 167 Ca 0.22 -1.50 -0.25 0.00 0.00 0.00 0.00 51.96 50.43 3hwc s ALA 167 Cb 0.11 1.28 -0.08 0.00 0.00 0.00 0.00 23.12 24.43 3hwc s ALA 167 CO 0.15 -0.70 1.19 1.03 0.00 0.00 0.00 175.76 177.43 3hwc s ARG 168 N -3.88 3.94 0.60 0.00 0.52 -1.26 -4.97 118.95 113.90 3hwc s ARG 168 Ca 0.34 1.88 -0.02 0.00 -0.52 0.00 0.00 55.73 57.40 3hwc s ARG 168 Cb 0.03 -2.61 0.04 0.00 0.52 0.00 0.00 34.95 32.93 3hwc s ARG 168 CO 0.14 -0.43 0.86 -1.54 0.02 0.00 0.00 175.30 174.36 3hwc s SER 169 N -1.12 5.22 0.00 0.23 1.04 -1.26 -5.01 113.70 112.81 3hwc s SER 169 Ca 0.59 0.28 0.29 0.00 0.48 0.00 0.00 55.95 57.59 3hwc s SER 169 Cb -0.32 -1.14 1.29 0.00 0.10 0.00 0.00 66.02 65.95 3hwc s SER 169 CO 0.39 -1.24 1.94 -2.65 0.98 0.00 0.00 173.24 172.67 3hwc n PRO 170 N -2.54 0.15 -1.27 4.02 -0.02 -1.26 -4.94 135.00 129.13 3hwc n PRO 170 Ca 0.07 -0.01 -0.36 0.00 -2.02 0.00 0.00 63.50 61.18 3hwc n PRO 170 Cb 0.59 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 32.66 3hwc n PRO 170 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3hwc n ASN 171 N -1.42 -0.50 -4.73 2.55 4.13 -1.26 -0.68 115.26 113.35 3hwc n ASN 171 Ca 0.09 0.61 -0.42 0.00 1.68 0.00 0.00 54.58 56.55 3hwc n ASN 171 Cb 0.31 -1.30 -0.03 0.00 -1.54 0.00 0.00 39.78 37.22 3hwc n ASN 171 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3hwc s LEU 172 N -1.60 4.40 0.02 3.41 2.96 -1.18 -4.04 118.68 122.64 3hwc s LEU 172 Ca 0.68 2.32 -0.11 0.00 -0.22 0.00 0.00 54.13 56.80 3hwc s LEU 172 Cb -0.34 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 42.76 3hwc s LEU 172 CO 0.55 -0.55 0.23 0.00 -1.32 0.00 0.00 176.35 175.26 3hwc s ARG 173 N 0.40 0.66 -0.08 1.98 3.03 -0.66 -4.47 118.95 119.81 3hwc s ARG 173 Ca 0.59 -0.45 -0.30 0.00 2.03 0.00 0.00 55.73 57.61 3hwc s ARG 173 Cb -0.35 0.28 -0.04 0.00 -1.03 0.00 0.00 34.95 33.80 3hwc s ARG 173 CO 0.34 -0.19 1.54 0.42 -1.13 0.00 0.00 175.30 176.29 3hwc s ILE 174 N -1.98 3.76 -0.21 4.99 1.01 0.68 -1.81 121.20 127.63 3hwc s ILE 174 Ca -0.09 0.94 0.17 0.00 0.00 0.00 0.00 60.65 61.66 3hwc s ILE 174 Cb -0.04 -3.61 -0.24 0.00 0.01 0.00 0.00 42.46 38.59 3hwc s ILE 174 CO -0.00 -0.08 0.46 0.52 0.00 0.00 0.00 174.94 175.83 3hwc n VAL 175 N 5.40 0.00 -3.60 2.92 0.31 0.49 -4.94 118.33 118.92 3hwc n VAL 175 Ca 0.16 -0.32 -0.13 0.00 -0.01 0.00 0.00 64.34 64.04 3hwc n VAL 175 Cb 0.43 0.33 -0.06 0.00 -0.91 0.00 0.00 33.84 33.63 3hwc n VAL 175 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3hwc s GLU 176 N -3.03 0.75 -0.07 5.55 2.12 -1.17 -4.98 118.70 117.88 3hwc s GLU 176 Ca -0.03 0.57 0.04 0.00 0.36 0.00 0.00 54.97 55.91 3hwc s GLU 176 Cb 0.11 0.36 -0.01 0.00 0.26 0.00 0.00 34.13 34.85 3hwc s GLU 176 CO 0.70 -0.15 -0.20 0.15 -0.54 0.00 0.00 175.26 175.21 3hwc s LYS 177 N -0.27 2.73 0.39 4.30 1.02 -1.26 -0.18 119.74 126.47 3hwc s LYS 177 Ca -0.02 -0.82 0.05 0.00 0.02 0.00 0.00 55.97 55.20 3hwc s LYS 177 Cb -0.03 -2.30 -0.02 0.00 -0.52 0.00 0.00 37.83 34.95 3hwc s LYS 177 CO 0.01 0.39 0.18 0.95 -0.92 0.00 0.00 175.35 175.96 3hwc s THR 178 N -0.16 0.39 0.24 2.17 -4.23 0.26 -5.02 115.64 109.29 3hwc s THR 178 Ca -0.03 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 58.84 3hwc s THR 178 Cb -0.14 -2.38 0.40 0.00 1.34 0.00 0.00 72.50 71.73 3hwc s THR 178 CO 0.04 0.00 2.07 0.44 -0.54 0.00 0.00 174.62 176.63 3hwc h ASP 179 N 1.89 0.00 0.25 3.99 3.32 -2.03 -3.09 116.42 120.74 3hwc h ASP 179 Ca -0.32 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.59 3hwc h ASP 179 Cb 1.26 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.79 3hwc h ASP 179 CO 0.50 0.01 -1.89 0.47 -1.72 0.00 0.00 179.24 176.61 3hwc n ASP 180 N -3.11 0.27 0.00 6.45 10.43 -1.26 -4.95 116.55 124.38 3hwc n ASP 180 Ca -0.00 0.12 0.00 0.00 2.57 0.00 0.00 54.79 57.47 3hwc n ASP 180 Cb 0.25 1.16 0.00 0.00 1.84 0.00 0.00 41.12 44.37 3hwc n ASP 180 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hwc n GLY 181 N 1.42 -0.61 3.23 0.44 0.00 -1.17 -1.42 105.19 107.09 3hwc n GLY 181 Ca -0.13 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 3hwc n GLY 181 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hwc s ILE 182 N -4.00 1.57 -0.14 -0.61 -4.36 0.06 -0.58 121.20 113.14 3hwc s ILE 182 Ca 0.00 -1.18 -0.06 0.00 -0.26 0.00 0.00 60.65 59.15 3hwc s ILE 182 Cb 0.00 -1.37 -0.04 0.00 1.25 0.00 0.00 42.46 42.30 3hwc s ILE 182 CO 0.00 0.16 0.10 -0.63 0.24 0.00 0.00 174.94 174.80 3hwc s ILE 183 N -0.82 5.11 -0.04 8.37 1.09 0.75 -0.53 121.20 135.13 3hwc s ILE 183 Ca 0.06 0.07 0.02 0.00 -1.10 0.00 0.00 60.65 59.70 3hwc s ILE 183 Cb -0.09 -3.24 0.01 0.00 -1.06 0.00 0.00 42.46 38.08 3hwc s ILE 183 CO 0.02 0.56 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.64 3hwc s VAL 184 N -0.52 0.83 -0.02 2.92 1.01 0.06 -0.38 120.40 124.30 3hwc s VAL 184 Ca 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3hwc s VAL 184 Cb -0.12 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 35.53 3hwc s VAL 184 CO 0.02 0.27 0.02 0.21 0.00 0.00 0.00 175.10 175.61 3hwc s ASN 185 N 0.40 0.18 0.00 3.32 2.47 -0.75 -0.07 114.94 120.48 3hwc s ASN 185 Ca -0.07 0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.23 3hwc s ASN 185 Cb -0.11 -0.11 0.00 0.00 -1.45 0.00 0.00 41.25 39.58 3hwc s ASN 185 CO 0.01 -0.11 0.00 0.61 -3.72 0.00 0.00 177.10 173.89 3hwc n GLY 186 N 4.07 0.97 3.08 1.21 0.00 -0.63 -1.65 105.19 112.23 3hwc n GLY 186 Ca -0.26 -1.89 -0.23 0.00 0.00 0.00 0.00 46.02 43.64 3hwc n GLY 186 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hwc s VAL 187 N -2.85 1.08 -0.14 1.61 1.01 0.14 -0.25 120.40 121.00 3hwc s VAL 187 Ca 0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 3hwc s VAL 187 Cb 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 3hwc s VAL 187 CO 0.00 0.32 0.01 -0.54 0.00 0.00 0.00 175.10 174.89 3hwc s LYS 188 N -0.03 3.49 0.38 2.72 -0.14 -0.52 -3.13 119.74 122.51 3hwc s LYS 188 Ca -0.00 -0.41 0.07 0.00 -1.36 0.00 0.00 55.97 54.27 3hwc s LYS 188 Cb -0.08 -2.96 -0.00 0.00 -1.68 0.00 0.00 37.83 33.10 3hwc s LYS 188 CO 0.01 0.44 0.50 0.00 -0.76 0.00 0.00 175.35 175.54 3hwc s ALA 189 N -0.16 4.34 -0.86 5.17 0.00 0.13 -0.68 121.76 129.71 3hwc s ALA 189 Ca 0.05 -1.62 -0.11 0.00 0.00 0.00 0.00 51.96 50.28 3hwc s ALA 189 Cb -0.12 -1.55 0.02 0.00 0.00 0.00 0.00 23.12 21.46 3hwc s ALA 189 CO 0.02 -0.17 0.21 0.28 0.00 0.00 0.00 175.76 176.10 3hwc n VAL 190 N -1.71 -1.13 -3.13 0.00 0.31 -0.88 -4.18 118.33 107.61 3hwc n VAL 190 Ca 0.04 -0.34 -0.39 0.00 -0.01 0.00 0.00 64.34 63.64 3hwc n VAL 190 Cb 0.59 -1.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.46 3hwc n VAL 190 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3hwc s GLY 191 N -3.98 2.75 -0.18 2.92 0.00 -0.03 -4.81 107.32 103.98 3hwc s GLY 191 Ca 0.16 0.17 -0.05 0.00 0.00 0.00 0.00 44.72 44.99 3hwc s GLY 191 CO 0.61 0.74 0.01 -1.59 0.00 0.00 0.00 173.10 172.87 3hwc s THR 192 N -0.77 4.18 -0.83 0.90 2.01 -1.26 1.00 115.64 120.87 3hwc s THR 192 Ca 0.33 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.08 3hwc s THR 192 Cb -0.20 -2.88 0.00 0.00 0.01 0.00 0.00 72.50 69.43 3hwc s THR 192 CO 0.21 0.45 0.00 0.61 -0.69 0.00 0.00 174.62 175.20 3hwc n GLY 193 N 3.88 0.96 0.26 4.40 0.00 -0.50 -4.71 105.19 109.47 3hwc n GLY 193 Ca -0.17 -0.46 -0.04 0.00 0.00 0.00 0.00 46.02 45.35 3hwc n GLY 193 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hwc h ILE 194 N 0.00 1.10 0.00 -0.61 1.08 -1.81 -2.39 117.51 114.88 3hwc h ILE 194 Ca -0.16 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.03 3hwc h ILE 194 Cb 0.61 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 34.58 3hwc h ILE 194 CO 0.23 0.15 0.00 0.00 -0.69 0.00 0.00 178.15 177.84 3hwc h ALA 195 N 1.27 1.00 -0.39 1.87 0.00 -1.91 -2.49 119.26 118.61 3hwc h ALA 195 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3hwc h ALA 195 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hwc h ALA 195 CO -0.09 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.35 3hwc n PHE 196 N -2.53 0.52 -3.15 0.00 3.72 -0.91 -5.00 117.46 110.11 3hwc n PHE 196 Ca -0.00 -0.45 -0.23 0.00 -0.05 0.00 0.00 57.45 56.72 3hwc n PHE 196 Cb 0.15 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 3hwc n PHE 196 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3hwc s GLY 197 N -1.02 1.51 -0.06 1.37 0.00 -0.94 -4.98 107.32 103.20 3hwc s GLY 197 Ca 0.27 -1.06 -0.18 0.00 0.00 0.00 0.00 44.72 43.76 3hwc s GLY 197 CO 0.19 -0.93 0.76 -0.55 0.00 0.00 0.00 173.10 172.57 3hwc h ASP 198 N 0.55 0.51 -2.88 1.64 3.32 -1.13 -3.43 116.42 115.00 3hwc h ASP 198 Ca -0.47 -0.91 -0.50 0.00 0.02 0.00 0.00 57.03 55.17 3hwc h ASP 198 Cb 1.24 -0.17 -0.14 0.00 0.22 0.00 0.00 39.33 40.49 3hwc h ASP 198 CO 0.58 1.57 -0.66 -0.31 -1.72 0.00 0.00 179.24 178.69 3hwc s TYR 199 N -2.49 1.99 -0.01 4.55 1.51 -1.16 -1.40 117.35 120.35 3hwc s TYR 199 Ca -0.16 -0.72 0.06 0.00 -1.01 0.00 0.00 57.07 55.25 3hwc s TYR 199 Cb 0.03 -1.17 -0.03 0.00 -0.11 0.00 0.00 41.96 40.69 3hwc s TYR 199 CO 0.83 0.27 -0.20 0.00 -1.11 0.00 0.00 175.55 175.33 3hwc s MET 200 N -3.74 2.21 -0.78 -0.62 0.23 0.71 -3.65 119.30 113.66 3hwc s MET 200 Ca 0.31 -0.87 -0.19 0.00 -1.03 0.00 0.00 55.69 53.90 3hwc s MET 200 Cb 0.05 -2.18 0.12 0.00 -1.53 0.00 0.00 34.83 31.28 3hwc s MET 200 CO 0.13 0.57 0.97 -1.58 -2.03 0.00 0.00 175.02 173.08 3hwc s HIS 201 N -0.73 3.02 0.06 3.16 2.46 0.76 -2.18 115.29 121.84 3hwc s HIS 201 Ca 0.12 -1.12 -0.28 0.00 0.47 0.00 0.00 55.06 54.24 3hwc s HIS 201 Cb -0.10 -4.19 -0.05 0.00 -0.13 0.00 0.00 32.58 28.10 3hwc s HIS 201 CO 0.01 -1.45 0.90 0.42 -2.47 0.00 0.00 174.74 172.14 3hwc s ILE 202 N 2.87 4.67 0.10 0.89 1.01 0.14 -0.29 121.20 130.58 3hwc s ILE 202 Ca 0.24 1.92 -0.12 0.00 0.00 0.00 0.00 60.65 62.69 3hwc s ILE 202 Cb -0.13 -4.25 0.04 0.00 0.01 0.00 0.00 42.46 38.13 3hwc s ILE 202 CO -0.01 0.29 0.56 0.61 0.00 0.00 0.00 174.94 176.40 3hwc n GLY 203 N 2.47 0.92 3.22 6.18 0.00 -1.15 -1.35 105.19 115.48 3hwc n GLY 203 Ca 0.02 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 3hwc n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwc s LEU 205 N -2.37 3.66 0.61 0.00 1.43 -1.26 -4.71 118.68 116.04 3hwc s LEU 205 Ca -0.01 0.05 -0.19 0.00 -1.03 0.00 0.00 54.13 52.94 3hwc s LEU 205 Cb 0.01 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 3hwc s LEU 205 CO -0.07 0.27 1.31 -0.47 0.23 0.00 0.00 176.35 177.63 3hwc s TYR 206 N -1.13 2.16 -0.01 0.29 6.14 -0.99 -5.04 117.35 118.76 3hwc s TYR 206 Ca 0.21 1.45 -0.12 0.00 0.64 0.00 0.00 57.07 59.25 3hwc s TYR 206 Cb -0.12 -3.72 0.02 0.00 0.42 0.00 0.00 41.96 38.56 3hwc s TYR 206 CO 0.12 -2.88 0.24 -0.98 0.64 0.00 0.00 175.55 172.69 3hwc s ARG 207 N -3.22 0.58 0.17 4.97 1.70 -1.26 -5.04 118.95 116.85 3hwc s ARG 207 Ca 0.79 -0.25 -0.34 0.00 -0.47 0.00 0.00 55.73 55.46 3hwc s ARG 207 Cb -0.38 0.25 -0.14 0.00 -0.57 0.00 0.00 34.95 34.11 3hwc s ARG 207 CO 0.42 -0.15 1.53 -2.30 -1.08 0.00 0.00 175.30 173.72 3hwc n PRO 208 N 1.41 2.05 -0.99 3.89 -0.02 -1.26 -1.89 135.00 138.19 3hwc n PRO 208 Ca -0.22 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3hwc n PRO 208 Cb 0.56 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3hwc n PRO 208 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwc n GLY 209 N 3.16 0.54 3.69 -1.23 0.00 -1.26 -5.00 105.19 105.09 3hwc n GLY 209 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3hwc n GLY 209 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hwc s ILE 210 N -2.24 3.10 0.53 -0.61 2.07 -0.79 -4.96 121.20 118.30 3hwc s ILE 210 Ca 0.00 0.50 -0.18 0.00 -1.41 0.00 0.00 60.65 59.56 3hwc s ILE 210 Cb 0.00 -3.32 -0.07 0.00 0.13 0.00 0.00 42.46 39.21 3hwc s ILE 210 CO 0.00 -0.01 1.02 -2.84 -1.91 0.00 0.00 174.94 171.21 3hwc s PRO 211 N 2.85 3.68 0.32 3.50 0.02 -1.26 -4.77 135.00 139.34 3hwc s PRO 211 Ca 0.74 1.17 0.06 0.00 0.02 0.00 0.00 61.00 62.99 3hwc s PRO 211 Cb -0.39 -2.09 0.72 0.00 0.02 0.00 0.00 34.50 32.76 3hwc s PRO 211 CO 0.32 -0.51 1.84 0.78 -0.33 0.00 0.00 177.00 179.10 3hwc h GLY 212 N 0.97 1.46 1.85 0.52 0.00 -1.93 -2.07 103.07 103.88 3hwc h GLY 212 Ca -0.48 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.50 3hwc h GLY 212 CO 0.59 0.08 0.00 -1.84 0.00 0.00 0.00 176.54 175.37 3hwc n GLU 213 N -4.62 0.11 0.00 4.80 0.00 -1.26 -1.66 120.64 118.01 3hwc n GLU 213 Ca 0.19 0.11 0.12 0.00 0.00 0.00 0.00 57.16 57.59 3hwc n GLU 213 Cb 0.46 -1.50 0.22 0.00 0.00 0.00 0.00 31.44 30.62 3hwc n GLU 213 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3hwc n GLN 214 N -1.43 0.67 -2.95 3.44 6.02 -0.78 -0.23 117.38 122.13 3hwc n GLN 214 Ca 0.07 -0.46 -0.44 0.00 -0.01 0.00 0.00 57.00 56.17 3hwc n GLN 214 Cb 0.22 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.96 3hwc n GLN 214 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hwc s VAL 215 N -2.64 4.56 -0.06 5.09 1.01 -0.66 -4.87 120.40 122.83 3hwc s VAL 215 Ca 0.19 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.37 3hwc s VAL 215 Cb 0.18 -4.65 0.02 0.00 0.00 0.00 0.00 36.38 31.94 3hwc s VAL 215 CO 0.60 -1.37 -0.05 -0.63 0.00 0.00 0.00 175.10 173.65 3hwc s ILE 216 N 3.36 0.59 -0.13 2.22 1.01 -1.26 -1.23 121.20 125.77 3hwc s ILE 216 Ca 0.21 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.75 3hwc s ILE 216 Cb -0.16 -0.63 0.02 0.00 0.01 0.00 0.00 42.46 41.69 3hwc s ILE 216 CO 0.05 0.25 -0.14 -0.36 0.00 0.00 0.00 174.94 174.74 3hwc s PHE 217 N 1.14 2.03 0.20 3.97 0.40 0.13 -3.43 117.98 122.42 3hwc s PHE 217 Ca -0.07 -1.06 -0.23 0.00 -0.60 0.00 0.00 56.93 54.96 3hwc s PHE 217 Cb -0.14 -1.50 0.05 0.00 0.51 0.00 0.00 43.02 41.94 3hwc s PHE 217 CO -0.01 -0.58 0.77 0.00 0.70 0.00 0.00 175.22 176.10 3hwc s ALA 218 N 1.31 -1.46 -0.11 5.36 0.00 -0.46 0.14 121.76 126.55 3hwc s ALA 218 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.04 3hwc s ALA 218 Cb -0.14 0.77 0.03 0.00 0.00 0.00 0.00 23.12 23.78 3hwc s ALA 218 CO -0.07 -0.95 -0.03 0.00 0.00 0.00 0.00 175.76 174.71 3hwc s ALA 219 N -3.66 1.07 0.10 0.00 0.00 -0.95 0.25 121.76 118.57 3hwc s ALA 219 Ca 0.09 -0.43 0.07 0.00 0.00 0.00 0.00 51.96 51.69 3hwc s ALA 219 Cb -0.03 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 3hwc s ALA 219 CO 0.00 -0.54 -0.18 0.96 0.00 0.00 0.00 175.76 176.00 3hwc s ILE 220 N 1.82 1.48 0.27 0.00 -4.36 -0.93 -4.81 121.20 114.67 3hwc s ILE 220 Ca 0.04 -1.49 -0.30 0.00 -0.26 0.00 0.00 60.65 58.63 3hwc s ILE 220 Cb -0.13 -1.40 -0.13 0.00 1.25 0.00 0.00 42.46 42.05 3hwc s ILE 220 CO -0.07 -0.16 1.45 -2.65 0.24 0.00 0.00 174.94 173.75 3hwc n PRO 221 N 1.07 2.25 -0.05 0.37 -0.02 -1.26 -0.21 135.00 137.14 3hwc n PRO 221 Ca -0.19 0.80 0.17 0.00 -2.02 0.00 0.00 63.50 62.26 3hwc n PRO 221 Cb 0.54 -2.48 0.61 0.00 -0.02 0.00 0.00 33.50 32.15 3hwc n PRO 221 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3hwc h THR 222 N 3.06 0.78 -0.55 3.45 2.02 -1.51 -1.36 112.91 118.80 3hwc h THR 222 Ca -0.46 -0.06 -0.17 0.00 0.77 0.00 0.00 66.41 66.49 3hwc h THR 222 Cb 1.26 0.59 -0.10 0.00 -1.74 0.00 0.00 68.15 68.16 3hwc h THR 222 CO 0.75 0.03 0.22 -0.46 0.37 0.00 0.00 175.52 176.43 3hwc n ASN 223 N -4.42 3.96 -4.72 4.18 2.04 -1.26 -4.70 115.26 110.33 3hwc n ASN 223 Ca 0.11 -2.88 -0.42 0.00 -0.44 0.00 0.00 54.58 50.94 3hwc n ASN 223 Cb 0.54 -0.68 -0.03 0.00 -2.53 0.00 0.00 39.78 37.08 3hwc n ASN 223 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 3hwc s THR 224 N -2.28 2.47 0.16 5.53 2.01 -0.52 -4.78 115.64 118.23 3hwc s THR 224 Ca 0.39 0.35 -0.34 0.00 0.31 0.00 0.00 61.69 62.40 3hwc s THR 224 Cb 0.31 -3.22 -0.14 0.00 0.01 0.00 0.00 72.50 69.46 3hwc s THR 224 CO 0.10 0.03 1.51 -2.65 -0.69 0.00 0.00 174.62 172.92 3hwc n PRO 225 N 3.66 1.95 0.00 4.92 -0.02 -1.26 -1.78 135.00 142.47 3hwc n PRO 225 Ca 0.13 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3hwc n PRO 225 Cb 0.38 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3hwc n PRO 225 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwc n GLY 226 N 3.10 0.28 3.64 -1.23 0.00 -1.26 -4.48 105.19 105.23 3hwc n GLY 226 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3hwc n GLY 226 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hwc s VAL 227 N -2.05 5.09 -0.16 1.61 1.01 -0.74 -1.12 120.40 124.05 3hwc s VAL 227 Ca 0.00 0.90 0.01 0.00 0.00 0.00 0.00 61.98 62.90 3hwc s VAL 227 Cb 0.00 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.57 3hwc s VAL 227 CO 0.00 0.13 -0.19 -0.89 0.00 0.00 0.00 175.10 174.15 3hwc s THR 228 N 1.99 1.93 -0.46 3.92 2.01 -0.67 -4.23 115.64 120.13 3hwc s THR 228 Ca 0.22 -0.88 -0.18 0.00 0.31 0.00 0.00 61.69 61.16 3hwc s THR 228 Cb -0.15 -1.74 0.04 0.00 0.01 0.00 0.00 72.50 70.65 3hwc s THR 228 CO 0.09 0.52 0.54 -0.69 -0.69 0.00 0.00 174.62 174.40 3hwc s VAL 229 N 1.14 4.97 -0.58 3.82 1.01 -0.16 -0.93 120.40 129.67 3hwc s VAL 229 Ca 0.00 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.41 3hwc s VAL 229 Cb -0.14 -4.18 0.09 0.00 0.00 0.00 0.00 36.38 32.15 3hwc s VAL 229 CO -0.08 -0.62 0.73 -0.36 0.00 0.00 0.00 175.10 174.77 3hwc s PHE 230 N 2.41 2.96 0.35 5.22 0.08 -0.12 -0.20 117.98 128.68 3hwc s PHE 230 Ca 0.15 -0.77 -0.12 0.00 0.12 0.00 0.00 56.93 56.30 3hwc s PHE 230 Cb -0.18 -3.94 -0.08 0.00 -0.57 0.00 0.00 43.02 38.26 3hwc s PHE 230 CO 0.13 -1.28 0.73 0.00 -0.10 0.00 0.00 175.22 174.70 3hwc s ARG 232 N -3.39 1.12 0.52 0.00 1.70 -0.82 -3.02 118.95 115.05 3hwc s ARG 232 Ca 0.52 1.06 -0.22 0.00 -0.47 0.00 0.00 55.73 56.62 3hwc s ARG 232 Cb -0.10 -1.77 -0.06 0.00 -0.57 0.00 0.00 34.95 32.45 3hwc s ARG 232 CO 0.24 -2.41 1.29 -1.83 -1.08 0.00 0.00 175.30 171.52 3hwc s GLU 233 N -4.80 3.35 0.06 3.89 -1.05 -1.26 -4.20 118.70 114.69 3hwc s GLU 233 Ca 0.64 2.08 -0.28 0.00 -0.15 0.00 0.00 54.97 57.26 3hwc s GLU 233 Cb -0.20 -2.31 -0.05 0.00 -0.44 0.00 0.00 34.13 31.13 3hwc s GLU 233 CO 0.58 -0.97 0.90 0.45 0.95 0.00 0.00 175.26 177.17 3hwc s SER 234 N -1.09 7.37 -0.11 0.83 0.15 -1.26 -4.95 113.70 114.63 3hwc s SER 234 Ca 0.69 1.64 0.17 0.00 0.70 0.00 0.00 55.95 59.15 3hwc s SER 234 Cb -0.36 -2.54 0.65 0.00 -1.71 0.00 0.00 66.02 62.06 3hwc s SER 234 CO 0.43 -0.08 1.56 0.35 1.20 0.00 0.00 173.24 176.70 3hwc n THR 235 N 3.05 1.81 -1.92 6.45 -2.24 -1.26 -5.00 114.28 115.18 3hwc n THR 235 Ca 0.02 -1.27 -0.41 0.00 -2.27 0.00 0.00 64.05 60.12 3hwc n THR 235 Cb 0.50 0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.83 3hwc n THR 235 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hwc s VAL 236 N -1.88 2.37 0.28 2.28 0.11 -1.26 -4.52 120.40 117.78 3hwc s VAL 236 Ca 0.47 0.33 -0.06 0.00 -2.93 0.00 0.00 61.98 59.79 3hwc s VAL 236 Cb 0.31 -3.21 -0.06 0.00 -1.53 0.00 0.00 36.38 31.89 3hwc s VAL 236 CO 0.22 0.06 0.57 -0.54 -3.33 0.00 0.00 175.10 172.07 3hwc s LYS 237 N -1.02 3.68 -0.00 1.54 3.01 -0.22 -4.98 119.74 121.74 3hwc s LYS 237 Ca 0.57 0.10 0.22 0.00 -1.01 0.00 0.00 55.97 55.85 3hwc s LYS 237 Cb -0.44 -2.63 -0.25 0.00 -1.01 0.00 0.00 37.83 33.50 3hwc s LYS 237 CO 0.51 0.22 0.69 0.09 0.51 0.00 0.00 175.35 177.37 3hwc n ASN 238 N -0.77 0.39 -4.15 2.83 3.02 -1.26 -4.27 115.26 111.06 3hwc n ASN 238 Ca -0.01 -0.29 -0.38 0.00 -0.03 0.00 0.00 54.58 53.86 3hwc n ASN 238 Cb 0.54 1.50 -0.09 0.00 -0.61 0.00 0.00 39.78 41.11 3hwc n ASN 238 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hwc s ASP 239 N -4.05 5.48 0.50 6.41 3.68 -1.26 -4.93 116.67 122.49 3hwc s ASP 239 Ca -0.02 -2.33 0.23 0.00 2.13 0.00 0.00 52.55 52.56 3hwc s ASP 239 Cb 0.14 -1.91 1.32 0.00 -1.45 0.00 0.00 42.92 41.02 3hwc s ASP 239 CO 0.88 -0.53 2.06 -0.65 0.13 0.00 0.00 175.17 177.06 3hwc h PRO 240 N 7.79 0.00 -0.55 4.34 0.11 -1.88 0.22 132.00 142.03 3hwc h PRO 240 Ca -0.10 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.93 3hwc h PRO 240 Cb 1.02 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3hwc h PRO 240 CO 0.75 0.14 0.00 0.00 -0.21 0.00 0.00 178.00 178.68 3hwc h ALA 241 N 1.86 0.74 0.00 -0.75 0.00 -1.98 -3.11 119.26 116.03 3hwc h ALA 241 Ca -0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 3hwc h ALA 241 Cb 0.31 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3hwc h ALA 241 CO 0.02 0.57 -1.41 0.39 0.00 0.00 0.00 179.25 178.82 3hwc n GLU 242 N -4.25 0.62 -3.59 0.00 -0.58 -0.90 -4.68 120.64 107.26 3hwc n GLU 242 Ca 0.02 0.17 -0.29 0.00 -0.42 0.00 0.00 57.16 56.64 3hwc n GLU 242 Cb 0.33 -1.78 -0.12 0.00 -0.57 0.00 0.00 31.44 29.30 3hwc n GLU 242 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3hwc s HIS 243 N -3.03 1.62 0.37 -0.32 3.76 0.73 -4.91 115.29 113.51 3hwc s HIS 243 Ca -0.03 -2.30 0.17 0.00 -0.15 0.00 0.00 55.06 52.74 3hwc s HIS 243 Cb 0.09 -1.50 0.92 0.00 1.11 0.00 0.00 32.58 33.21 3hwc s HIS 243 CO 0.81 -0.78 1.90 -1.35 -0.85 0.00 0.00 174.74 174.47 3hwc h PRO 244 N 6.38 0.00 0.00 8.40 0.11 -1.80 -2.94 132.00 142.15 3hwc h PRO 244 Ca 0.09 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.85 3hwc h PRO 244 Cb 0.91 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.97 3hwc h PRO 244 CO 0.43 0.28 -2.19 1.28 -0.21 0.00 0.00 178.00 177.59 3hwc n LEU 245 N -3.97 1.50 0.03 2.35 4.77 -1.26 -4.59 117.00 115.83 3hwc n LEU 245 Ca -0.02 0.26 0.06 0.00 -0.03 0.00 0.00 56.01 56.28 3hwc n LEU 245 Cb 0.35 -0.63 0.28 0.00 -2.33 0.00 0.00 43.42 41.09 3hwc n LEU 245 CO 0.36 0.44 0.70 0.00 -1.33 0.00 0.00 177.39 177.56 3hwc n ALA 246 N -3.95 1.47 1.33 -1.18 0.00 -1.25 -1.36 120.51 115.56 3hwc n ALA 246 Ca -0.42 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.15 3hwc n ALA 246 Cb 0.80 -1.20 0.38 0.00 0.00 0.00 0.00 19.45 19.43 3hwc n ALA 246 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hwc n SER 247 N -1.64 1.81 0.02 0.00 3.41 -1.11 -1.06 113.62 115.04 3hwc n SER 247 Ca 0.02 -1.54 0.12 0.00 -0.26 0.00 0.00 58.87 57.21 3hwc n SER 247 Cb 0.13 0.04 0.16 0.00 -0.26 0.00 0.00 64.21 64.28 3hwc n SER 247 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwc n GLN 248 N 0.33 0.10 0.00 4.33 6.02 -0.47 -4.75 117.38 122.94 3hwc n GLN 248 Ca 0.16 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 3hwc n GLN 248 Cb 0.42 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 30.13 3hwc n GLN 248 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hwc n GLY 249 N 1.45 4.82 3.44 1.08 0.00 -1.26 -3.96 105.19 110.77 3hwc n GLY 249 Ca 0.04 -1.07 -0.38 0.00 0.00 0.00 0.00 46.02 44.60 3hwc n GLY 249 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hwc s ASP 250 N 0.00 5.54 -1.08 1.61 3.68 -1.26 -4.77 116.67 120.39 3hwc s ASP 250 Ca 0.00 -0.51 -0.23 0.00 2.13 0.00 0.00 52.55 53.95 3hwc s ASP 250 Cb 0.00 -2.00 -0.02 0.00 -1.45 0.00 0.00 42.92 39.45 3hwc s ASP 250 CO 0.00 -0.19 1.80 -0.70 0.13 0.00 0.00 175.17 176.22 3hwc s GLU 251 N 1.61 3.01 0.65 4.34 2.12 -1.26 -4.74 118.70 124.43 3hwc s GLU 251 Ca 0.05 -1.02 -0.18 0.00 0.36 0.00 0.00 54.97 54.17 3hwc s GLU 251 Cb -0.17 -5.26 -0.01 0.00 0.26 0.00 0.00 34.13 28.95 3hwc s GLU 251 CO 0.06 -3.11 1.30 -0.51 -0.54 0.00 0.00 175.26 172.46 3hwc s LEU 252 N 8.24 3.58 0.10 2.70 1.43 -1.26 -4.73 118.68 128.74 3hwc s LEU 252 Ca 0.62 2.64 0.08 0.00 -1.03 0.00 0.00 54.13 56.43 3hwc s LEU 252 Cb -0.02 -4.62 -0.04 0.00 0.03 0.00 0.00 46.19 41.55 3hwc s LEU 252 CO 0.03 -2.02 -0.16 -1.81 0.23 0.00 0.00 176.35 172.63 3hwc s ASP 253 N -1.38 4.03 0.12 2.29 1.01 -1.26 -1.41 116.67 120.07 3hwc s ASP 253 Ca 0.83 -0.47 0.04 0.00 0.71 0.00 0.00 52.55 53.65 3hwc s ASP 253 Cb -0.38 -0.65 -0.04 0.00 1.01 0.00 0.00 42.92 42.86 3hwc s ASP 253 CO 0.40 0.20 -0.09 -0.44 0.21 0.00 0.00 175.17 175.44 3hwc s SER 254 N -2.01 1.55 -0.24 0.27 0.01 0.28 -1.95 113.70 111.62 3hwc s SER 254 Ca 0.18 -0.98 -0.02 0.00 1.31 0.00 0.00 55.95 56.45 3hwc s SER 254 Cb -0.11 0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.17 3hwc s SER 254 CO 0.10 -0.36 -0.07 -0.89 0.41 0.00 0.00 173.24 172.43 3hwc s THR 255 N -3.27 2.88 -0.27 1.44 2.01 0.49 -0.85 115.64 118.07 3hwc s THR 255 Ca 0.13 -0.94 -0.13 0.00 0.31 0.00 0.00 61.69 61.06 3hwc s THR 255 Cb 0.02 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 3hwc s THR 255 CO -0.01 0.26 0.28 -0.89 -0.69 0.00 0.00 174.62 173.56 3hwc s THR 256 N 1.34 5.25 -0.17 -0.82 2.01 0.15 -0.94 115.64 122.46 3hwc s THR 256 Ca 0.01 0.37 -0.10 0.00 0.31 0.00 0.00 61.69 62.28 3hwc s THR 256 Cb -0.16 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 3hwc s THR 256 CO -0.05 0.22 0.18 -0.69 -0.69 0.00 0.00 174.62 173.58 3hwc s VAL 257 N 1.83 5.39 -0.39 3.82 1.01 -0.10 -1.44 120.40 130.51 3hwc s VAL 257 Ca 0.11 0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 3hwc s VAL 257 Cb -0.16 -3.50 0.10 0.00 0.00 0.00 0.00 36.38 32.82 3hwc s VAL 257 CO 0.10 0.47 0.17 -0.36 0.00 0.00 0.00 175.10 175.48 3hwc s PHE 258 N 0.08 3.51 -0.94 5.22 0.40 0.65 -1.66 117.98 125.23 3hwc s PHE 258 Ca 0.12 -2.23 -0.19 0.00 -0.60 0.00 0.00 56.93 54.03 3hwc s PHE 258 Cb -0.12 -2.99 0.13 0.00 0.51 0.00 0.00 43.02 40.55 3hwc s PHE 258 CO 0.01 -0.93 1.15 -0.51 0.70 0.00 0.00 175.22 175.64 3hwc s ASP 259 N 1.74 6.64 -1.30 1.36 1.01 -0.28 -1.61 116.67 124.23 3hwc s ASP 259 Ca 0.05 -2.07 -0.11 0.00 0.71 0.00 0.00 52.55 51.14 3hwc s ASP 259 Cb -0.22 -2.40 0.00 0.00 1.01 0.00 0.00 42.92 41.31 3hwc s ASP 259 CO -0.03 -1.06 0.55 0.59 0.21 0.00 0.00 175.17 175.43 3hwc n ASN 260 N 6.57 -2.34 -4.70 0.27 5.03 -1.11 -4.69 115.26 114.30 3hwc n ASN 260 Ca 0.25 -1.06 -0.42 0.00 0.87 0.00 0.00 54.58 54.21 3hwc n ASN 260 Cb 0.49 -2.91 -0.03 0.00 -1.02 0.00 0.00 39.78 36.32 3hwc n ASN 260 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3hwc s VAL 261 N -3.77 4.33 -0.13 2.41 1.01 0.89 -4.67 120.40 120.47 3hwc s VAL 261 Ca 0.22 1.65 -0.25 0.00 0.00 0.00 0.00 61.98 63.59 3hwc s VAL 261 Cb -0.09 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 3hwc s VAL 261 CO 0.90 0.04 0.83 0.12 0.00 0.00 0.00 175.10 176.98 3hwc s PHE 262 N 1.81 3.48 -0.20 5.22 2.19 -1.26 -0.76 117.98 128.46 3hwc s PHE 262 Ca 0.55 1.31 0.01 0.00 0.33 0.00 0.00 56.93 59.13 3hwc s PHE 262 Cb -0.25 -2.99 0.03 0.00 -1.31 0.00 0.00 43.02 38.50 3hwc s PHE 262 CO 0.24 -0.15 -0.17 0.42 1.83 0.00 0.00 175.22 177.39 3hwc s ILE 263 N 1.75 2.17 0.54 3.12 1.01 0.32 -4.97 121.20 125.14 3hwc s ILE 263 Ca 0.40 -1.07 -0.22 0.00 0.00 0.00 0.00 60.65 59.76 3hwc s ILE 263 Cb -0.17 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 3hwc s ILE 263 CO 0.15 0.40 1.32 -2.84 0.00 0.00 0.00 174.94 173.98 3hwc s PRO 264 N 1.26 3.22 0.43 2.79 0.02 -1.26 -0.76 135.00 140.70 3hwc s PRO 264 Ca 0.02 2.15 0.24 0.00 0.02 0.00 0.00 61.00 63.43 3hwc s PRO 264 Cb -0.15 -2.26 1.24 0.00 0.02 0.00 0.00 34.50 33.35 3hwc s PRO 264 CO -0.11 -1.10 1.76 -1.49 -0.33 0.00 0.00 177.00 175.74 3hwc h TRP 265 N 1.52 0.50 0.00 6.54 4.06 -1.57 -0.96 115.95 126.03 3hwc h TRP 265 Ca -0.51 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.46 3hwc h TRP 265 Cb 1.29 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 29.31 3hwc h TRP 265 CO 0.47 0.02 0.00 0.93 -3.56 0.00 0.00 178.44 176.30 3hwc h GLU 266 N 0.27 0.00 -0.41 0.49 3.07 -1.89 -1.62 114.58 114.49 3hwc h GLU 266 Ca 0.61 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.47 3hwc h GLU 266 Cb 1.78 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.69 3hwc h GLU 266 CO -0.25 0.00 0.00 1.04 -1.40 0.00 0.00 179.01 178.40 3hwc n GLN 267 N -2.44 2.43 -3.87 2.33 6.02 -0.37 -4.74 117.38 116.75 3hwc n GLN 267 Ca -0.00 -2.23 -0.36 0.00 -0.01 0.00 0.00 57.00 54.40 3hwc n GLN 267 Cb 0.13 -1.47 -0.07 0.00 1.02 0.00 0.00 30.24 29.85 3hwc n GLN 267 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hwc s VAL 268 N -1.29 5.30 -0.17 5.09 1.01 -0.61 -2.24 120.40 127.49 3hwc s VAL 268 Ca 0.36 0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.55 3hwc s VAL 268 Cb 0.21 -3.36 -0.15 0.00 0.00 0.00 0.00 36.38 33.08 3hwc s VAL 268 CO 0.28 0.53 -0.06 0.49 0.00 0.00 0.00 175.10 176.34 3hwc n PHE 269 N 2.78 0.00 -3.63 5.22 3.72 0.12 -4.66 117.46 121.01 3hwc n PHE 269 Ca -0.18 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.11 3hwc n PHE 269 Cb 0.53 -0.74 -0.07 0.00 -0.94 0.00 0.00 39.48 38.26 3hwc n PHE 269 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3hwc s HIS 270 N -2.38 -0.61 0.03 1.38 5.04 -1.04 -4.14 115.29 113.58 3hwc s HIS 270 Ca -0.17 1.48 0.01 0.00 -1.54 0.00 0.00 55.06 54.84 3hwc s HIS 270 Cb 0.06 0.33 -0.02 0.00 0.04 0.00 0.00 32.58 32.98 3hwc s HIS 270 CO 0.53 -0.29 -0.06 0.96 -2.34 0.00 0.00 174.74 173.54 3hwc s ILE 271 N 0.33 0.36 0.00 0.89 -4.36 -1.26 -0.69 121.20 116.47 3hwc s ILE 271 Ca 0.02 -1.00 0.00 0.00 -0.26 0.00 0.00 60.65 59.40 3hwc s ILE 271 Cb -0.05 -0.46 0.00 0.00 1.25 0.00 0.00 42.46 43.20 3hwc s ILE 271 CO -0.04 -0.43 0.00 0.61 0.24 0.00 0.00 174.94 175.32 3hwc n GLY 272 N 1.53 1.84 3.14 6.27 0.00 -0.36 -0.93 105.19 116.67 3hwc n GLY 272 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 3hwc n GLY 272 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hwc s ASN 273 N -2.05 5.30 0.26 1.61 3.04 -1.26 -4.46 114.94 117.39 3hwc s ASN 273 Ca 0.00 -1.95 -0.03 0.00 0.04 0.00 0.00 52.86 50.92 3hwc s ASN 273 Cb 0.00 -1.85 0.40 0.00 -1.54 0.00 0.00 41.25 38.26 3hwc s ASN 273 CO 0.00 -0.54 1.88 -0.65 -3.04 0.00 0.00 177.10 174.75 3hwc h PRO 274 N 8.11 1.15 -0.76 0.43 0.11 -1.88 -2.28 132.00 136.88 3hwc h PRO 274 Ca -0.15 -0.07 0.06 0.00 0.11 0.00 0.00 66.00 65.96 3hwc h PRO 274 Cb 1.05 -0.26 -0.05 0.00 0.11 0.00 0.00 31.00 31.86 3hwc h PRO 274 CO 0.71 0.76 0.50 0.93 -0.21 0.00 0.00 178.00 180.69 3hwc h GLU 275 N 1.18 0.80 -0.05 1.05 4.39 -1.95 -0.90 114.58 119.10 3hwc h GLU 275 Ca 0.43 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.97 3hwc h GLU 275 Cb 0.15 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3hwc h GLU 275 CO -0.17 0.53 -0.46 1.25 -1.16 0.00 0.00 179.01 179.00 3hwc h HIS 276 N 0.82 0.15 0.00 4.33 2.76 -1.78 -2.88 115.15 118.55 3hwc h HIS 276 Ca 0.33 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.45 3hwc h HIS 276 Cb 0.23 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.16 3hwc h HIS 276 CO -0.00 0.57 0.00 0.00 -1.30 0.00 0.00 177.93 177.20 3hwc n ALA 277 N -2.46 2.23 0.02 5.26 0.00 -0.35 -3.29 120.51 121.92 3hwc n ALA 277 Ca -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 53.44 53.29 3hwc n ALA 277 Cb 0.50 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.63 3hwc n ALA 277 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3hwc h LYS 278 N 0.00 -0.09 0.05 0.00 1.57 -1.50 -2.63 116.57 113.96 3hwc h LYS 278 Ca 0.00 0.01 -0.33 0.00 -1.87 0.00 0.00 60.65 58.46 3hwc h LYS 278 Cb 0.00 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 3hwc h LYS 278 CO 0.00 -0.06 -1.85 1.28 -0.57 0.00 0.00 179.45 178.25 3hwc n LEU 279 N -3.44 1.62 -0.05 2.94 7.99 -1.25 -4.44 117.00 120.37 3hwc n LEU 279 Ca -0.01 0.32 -0.13 0.00 -0.01 0.00 0.00 56.01 56.17 3hwc n LEU 279 Cb 0.04 -0.38 -0.07 0.00 -0.11 0.00 0.00 43.42 42.90 3hwc n LEU 279 CO 0.03 0.59 0.59 1.88 -1.51 0.00 0.00 177.39 178.97 3hwc h TYR 280 N 0.03 0.45 -0.07 -1.77 -1.99 -1.80 -2.52 116.97 109.29 3hwc h TYR 280 Ca -0.35 -0.14 0.02 0.00 2.00 0.00 0.00 58.73 60.26 3hwc h TYR 280 Cb 2.03 -0.09 -0.00 0.00 2.00 0.00 0.00 36.73 40.66 3hwc h TYR 280 CO 0.03 0.78 0.06 -1.35 -0.00 0.00 0.00 178.16 177.68 3hwc h PRO 281 N -0.00 0.00 -0.27 4.88 0.11 -1.77 -0.29 132.00 134.66 3hwc h PRO 281 Ca 0.02 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.01 3hwc h PRO 281 Cb 0.71 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 3hwc h PRO 281 CO 0.04 0.00 -0.33 1.96 -0.21 0.00 0.00 178.00 179.46 3hwc h GLN 282 N 0.00 0.57 -0.31 1.05 4.20 -1.69 -2.61 115.11 116.32 3hwc h GLN 282 Ca 0.03 -0.26 -0.07 0.00 0.06 0.00 0.00 58.65 58.42 3hwc h GLN 282 Cb 0.16 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 3hwc h GLN 282 CO -0.00 0.83 -0.10 0.00 -0.67 0.00 0.00 178.83 178.89 3hwc h ARG 283 N 0.49 0.52 -0.61 1.46 3.08 -0.66 -2.45 114.38 116.21 3hwc h ARG 283 Ca 0.06 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 3hwc h ARG 283 Cb 0.81 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 3hwc h ARG 283 CO 0.07 0.62 0.08 0.82 -1.07 0.00 0.00 179.97 180.49 3hwc h ILE 284 N 0.48 1.26 0.00 2.04 2.04 -1.09 -2.90 117.51 119.34 3hwc h ILE 284 Ca 0.09 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.93 3hwc h ILE 284 Cb 0.47 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3hwc h ILE 284 CO 0.03 0.38 0.00 -0.26 0.00 0.00 0.00 178.15 178.29 3hwc h PHE 285 N 0.94 0.00 -0.27 1.37 0.04 -1.20 -3.36 116.94 114.46 3hwc h PHE 285 Ca 0.19 0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.02 3hwc h PHE 285 Cb 0.44 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.51 3hwc h PHE 285 CO 0.03 0.00 -0.37 -0.44 -0.60 0.00 0.00 178.31 176.93 3hwc h ASP 286 N 0.00 -1.21 -0.02 2.17 3.45 -1.22 0.71 116.42 120.30 3hwc h ASP 286 Ca 0.00 0.18 -0.08 0.00 0.43 0.00 0.00 57.03 57.56 3hwc h ASP 286 Cb 0.73 0.52 -0.01 0.00 -0.56 0.00 0.00 39.33 40.01 3hwc h ASP 286 CO 0.00 -0.37 -0.20 -0.50 -1.57 0.00 0.00 179.24 176.60 3hwc h TRP 287 N -0.36 0.43 -0.06 4.55 4.06 -1.75 -0.73 115.95 122.08 3hwc h TRP 287 Ca 0.12 -0.08 -0.22 0.00 2.06 0.00 0.00 58.89 60.78 3hwc h TRP 287 Cb 0.57 -0.11 0.01 0.00 -1.00 0.00 0.00 29.16 28.63 3hwc h TRP 287 CO -0.52 0.58 -0.86 -0.24 -3.56 0.00 0.00 178.44 173.84 3hwc h VAL 288 N 0.36 1.34 -0.94 1.49 3.04 -1.64 -2.23 116.25 117.67 3hwc h VAL 288 Ca 0.06 -2.21 0.04 0.00 -1.01 0.00 0.00 66.70 63.59 3hwc h VAL 288 Cb 0.56 2.21 -0.06 0.00 -2.01 0.00 0.00 31.29 32.00 3hwc h VAL 288 CO 0.04 0.67 0.61 0.45 -1.01 0.00 0.00 177.57 178.33 3hwc h HIS 289 N 0.35 1.14 -0.28 3.17 3.86 -0.40 -0.87 115.15 122.12 3hwc h HIS 289 Ca -0.07 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.07 3hwc h HIS 289 Cb 1.48 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 29.56 3hwc h HIS 289 CO 0.07 0.64 -0.25 -0.92 0.86 0.00 0.00 177.93 178.32 3hwc h TYR 290 N 1.16 0.62 -0.43 2.45 5.03 -1.02 -2.71 116.97 122.07 3hwc h TYR 290 Ca 0.38 -0.14 -0.13 0.00 2.58 0.00 0.00 58.73 61.43 3hwc h TYR 290 Cb 0.05 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.17 3hwc h TYR 290 CO -0.01 0.75 -0.26 1.25 -1.32 0.00 0.00 178.16 178.58 3hwc h HIS 291 N 0.48 1.08 -0.59 -3.82 2.76 -0.77 -2.60 115.15 111.69 3hwc h HIS 291 Ca 0.07 -0.28 0.08 0.00 -2.20 0.00 0.00 60.37 58.04 3hwc h HIS 291 Cb 0.69 -0.24 -0.06 0.00 1.55 0.00 0.00 27.41 29.35 3hwc h HIS 291 CO 0.03 1.09 0.24 0.82 -1.30 0.00 0.00 177.93 178.81 3hwc h ILE 292 N 0.75 0.83 -0.90 6.26 2.04 -1.04 -1.06 117.51 124.39 3hwc h ILE 292 Ca 0.09 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 3hwc h ILE 292 Cb 0.83 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 3hwc h ILE 292 CO 0.07 0.08 0.55 0.25 0.00 0.00 0.00 178.15 179.10 3hwc h LEU 293 N 0.45 1.07 -0.56 1.44 5.85 -1.36 0.28 115.31 122.49 3hwc h LEU 293 Ca 0.29 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3hwc h LEU 293 Cb 0.31 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3hwc h LEU 293 CO -0.26 0.82 0.35 0.40 -0.34 0.00 0.00 178.44 179.41 3hwc h ILE 294 N 1.24 1.15 -0.54 4.05 2.04 -0.94 -0.46 117.51 124.05 3hwc h ILE 294 Ca 0.32 -0.32 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 3hwc h ILE 294 Cb -0.06 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 3hwc h ILE 294 CO -0.06 0.15 -0.07 -0.09 0.00 0.00 0.00 178.15 178.08 3hwc h ARG 295 N 0.75 0.99 -0.63 2.37 2.43 -0.53 -2.62 114.38 117.13 3hwc h ARG 295 Ca 0.20 -0.34 -0.05 0.00 -0.81 0.00 0.00 59.98 58.99 3hwc h ARG 295 Cb -0.05 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 3hwc h ARG 295 CO -0.04 1.01 0.20 1.96 -1.51 0.00 0.00 179.97 181.59 3hwc h GLN 296 N 0.89 0.95 -0.53 0.20 4.20 -0.02 -1.39 115.11 119.41 3hwc h GLN 296 Ca 0.15 -0.18 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 3hwc h GLN 296 Cb 0.62 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3hwc h GLN 296 CO 0.04 0.82 -0.11 0.28 -0.67 0.00 0.00 178.83 179.18 3hwc h VAL 297 N 0.92 1.27 -0.75 -0.54 2.07 -0.92 -1.13 116.25 117.17 3hwc h VAL 297 Ca 0.21 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 3hwc h VAL 297 Cb 0.26 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3hwc h VAL 297 CO -0.01 0.44 0.34 -0.07 0.02 0.00 0.00 177.57 178.29 3hwc h LEU 298 N 0.88 0.99 -0.46 2.57 3.38 -1.20 -1.49 115.31 119.98 3hwc h LEU 298 Ca 0.14 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3hwc h LEU 298 Cb 0.67 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3hwc h LEU 298 CO 0.05 0.86 0.17 -0.09 0.09 0.00 0.00 178.44 179.52 3hwc h ARG 299 N 1.06 0.70 -1.00 1.13 9.65 -0.95 0.22 114.38 125.18 3hwc h ARG 299 Ca 0.25 -0.14 0.07 0.00 -1.10 0.00 0.00 59.98 59.06 3hwc h ARG 299 Cb 0.15 -0.11 -0.07 0.00 -1.39 0.00 0.00 29.97 28.55 3hwc h ARG 299 CO -0.03 0.65 0.65 0.00 2.80 0.00 0.00 179.97 184.04 3hwc h ALA 300 N 1.02 1.41 -0.62 2.80 0.00 -1.11 0.12 119.26 122.88 3hwc h ALA 300 Ca 0.15 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3hwc h ALA 300 Cb 0.22 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3hwc h ALA 300 CO -0.01 0.44 0.10 1.49 0.00 0.00 0.00 179.25 181.26 3hwc h GLU 301 N 1.17 1.03 -0.53 0.00 4.81 -0.36 -2.56 114.58 118.14 3hwc h GLU 301 Ca 0.43 -0.28 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 3hwc h GLU 301 Cb 0.17 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3hwc h GLU 301 CO -0.17 0.97 0.14 1.25 -0.73 0.00 0.00 179.01 180.47 3hwc h LEU 302 N 0.94 0.80 -0.59 1.64 5.85 0.05 -2.49 115.31 121.52 3hwc h LEU 302 Ca 0.19 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 3hwc h LEU 302 Cb 0.44 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3hwc h LEU 302 CO 0.01 0.81 0.36 0.40 -0.34 0.00 0.00 178.44 179.68 3hwc h ILE 303 N 0.74 1.17 -0.61 4.05 2.04 -0.85 -0.75 117.51 123.29 3hwc h ILE 303 Ca 0.17 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 3hwc h ILE 303 Cb 0.32 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3hwc h ILE 303 CO -0.00 0.17 0.24 0.58 0.00 0.00 0.00 178.15 179.14 3hwc h VAL 304 N 0.79 1.23 -0.09 1.67 2.07 -1.40 -1.43 116.25 119.10 3hwc h VAL 304 Ca 0.21 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 67.01 3hwc h VAL 304 Cb -0.03 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3hwc h VAL 304 CO -0.04 0.29 0.01 1.23 0.02 0.00 0.00 177.57 179.08 3hwc h GLY 305 N 0.86 0.09 0.94 2.17 0.00 -0.99 -0.70 103.07 105.44 3hwc h GLY 305 Ca 0.20 -0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.55 3hwc h GLY 305 CO -0.02 -0.00 0.58 1.41 0.00 0.00 0.00 176.54 178.52 3hwc h LEU 306 N 0.05 0.99 -0.35 3.11 3.38 -1.03 0.08 115.31 121.54 3hwc h LEU 306 Ca 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hwc h LEU 306 Cb 0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3hwc h LEU 306 CO -0.05 0.70 0.22 0.00 0.09 0.00 0.00 178.44 179.40 3hwc h ALA 307 N 1.35 0.45 -0.20 1.53 0.00 -0.94 -0.94 119.26 120.51 3hwc h ALA 307 Ca 0.34 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3hwc h ALA 307 Cb -0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3hwc h ALA 307 CO -0.09 -0.07 0.04 0.82 0.00 0.00 0.00 179.25 179.95 3hwc h ILE 308 N 0.47 1.21 0.57 0.00 2.04 -0.70 -1.66 117.51 119.44 3hwc h ILE 308 Ca 0.13 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 3hwc h ILE 308 Cb -0.02 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3hwc h ILE 308 CO -0.03 0.21 -0.51 -0.07 0.00 0.00 0.00 178.15 177.76 3hwc h LEU 309 N 0.14 -1.37 -1.33 1.44 4.07 -0.85 -0.45 115.31 116.97 3hwc h LEU 309 Ca 0.06 0.10 -0.07 0.00 0.08 0.00 0.00 57.88 58.06 3hwc h LEU 309 Cb 0.28 0.44 -0.01 0.00 1.08 0.00 0.00 40.66 42.46 3hwc h LEU 309 CO 0.00 -0.69 -0.32 -0.29 -1.08 0.00 0.00 178.44 176.06 3hwc h ILE 310 N -1.06 1.24 -0.06 1.22 6.09 -1.22 -0.86 117.51 122.86 3hwc h ILE 310 Ca -0.07 -1.13 -0.21 0.00 -1.37 0.00 0.00 64.86 62.08 3hwc h ILE 310 Cb 0.90 1.59 0.00 0.00 0.47 0.00 0.00 36.82 39.79 3hwc h ILE 310 CO -0.03 0.33 -0.82 0.00 -3.07 0.00 0.00 178.15 174.56 3hwc h THR 311 N 0.02 1.37 0.01 2.19 1.03 -1.16 -2.41 112.91 113.96 3hwc h THR 311 Ca 0.00 -2.23 -0.21 0.00 -0.01 0.00 0.00 66.41 63.95 3hwc h THR 311 Cb 0.58 2.21 -0.01 0.00 -1.07 0.00 0.00 68.15 69.87 3hwc h THR 311 CO 0.04 0.67 -0.93 -0.33 -0.01 0.00 0.00 175.52 174.97 3hwc h GLU 312 N 0.29 0.28 -0.38 0.00 5.08 -0.72 -1.93 114.58 117.19 3hwc h GLU 312 Ca -0.05 -0.31 -0.10 0.00 -1.00 0.00 0.00 59.36 57.90 3hwc h GLU 312 Cb 1.43 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.76 3hwc h GLU 312 CO 0.15 1.03 -0.15 1.25 -1.00 0.00 0.00 179.01 180.29 3hwc h HIS 313 N 0.15 0.88 -0.17 4.33 2.76 -1.13 -3.10 115.15 118.87 3hwc h HIS 313 Ca -0.06 -0.21 -0.14 0.00 -2.20 0.00 0.00 60.37 57.76 3hwc h HIS 313 Cb 1.57 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 30.31 3hwc h HIS 313 CO 0.04 0.94 -0.48 0.82 -1.30 0.00 0.00 177.93 177.95 3hwc h ILE 314 N 0.58 1.32 0.00 6.26 2.04 -1.53 -3.31 117.51 122.87 3hwc h ILE 314 Ca 0.09 -1.70 0.00 0.00 1.00 0.00 0.00 64.86 64.25 3hwc h ILE 314 Cb 0.68 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 3hwc h ILE 314 CO 0.05 0.52 0.00 0.61 0.00 0.00 0.00 178.15 179.33 3hwc n GLY 315 N 0.09 1.43 0.33 5.37 0.00 -1.02 -4.66 105.19 106.72 3hwc n GLY 315 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 3hwc n GLY 315 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hwc n THR 316 N -1.53 0.00 0.23 2.61 -2.24 -0.79 -4.52 114.28 108.05 3hwc n THR 316 Ca 0.00 -0.29 0.17 0.00 -2.27 0.00 0.00 64.05 61.66 3hwc n THR 316 Cb 0.00 1.17 0.87 0.00 -2.10 0.00 0.00 70.33 70.27 3hwc n THR 316 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3hwc h SER 317 N 1.61 0.00 0.90 3.42 4.64 -1.73 -2.31 113.55 120.09 3hwc h SER 317 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 3hwc h SER 317 Cb 0.55 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 3hwc h SER 317 CO 0.00 0.00 -1.01 0.07 -0.87 0.00 0.00 176.83 175.02 3hwc h LYS 318 N 0.00 0.05 -6.55 4.77 2.10 -1.88 -3.39 116.57 111.68 3hwc h LYS 318 Ca 0.06 -0.08 -0.58 0.00 -2.00 0.00 0.00 60.65 58.06 3hwc h LYS 318 Cb 0.38 0.03 0.06 0.00 -0.90 0.00 0.00 32.23 31.81 3hwc h LYS 318 CO -0.00 1.01 0.78 1.28 -2.00 0.00 0.00 179.45 180.52 3hwc n LEU 319 N -3.42 3.23 -0.34 7.07 4.32 -0.87 -4.85 117.00 122.14 3hwc n LEU 319 Ca -0.02 1.10 -0.03 0.00 -0.02 0.00 0.00 56.01 57.04 3hwc n LEU 319 Cb 0.93 -1.45 0.11 0.00 -1.62 0.00 0.00 43.42 41.39 3hwc n LEU 319 CO 0.48 -0.27 1.23 -0.65 -1.22 0.00 0.00 177.39 176.96 3hwc h PRO 320 N 5.62 1.26 -0.24 3.23 0.11 -1.89 0.21 132.00 140.30 3hwc h PRO 320 Ca -0.45 -0.11 -0.04 0.00 0.11 0.00 0.00 66.00 65.51 3hwc h PRO 320 Cb 1.25 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3hwc h PRO 320 CO 0.86 0.88 -0.03 1.79 -0.21 0.00 0.00 178.00 181.30 3hwc h THR 321 N 1.28 1.17 0.01 -1.15 1.35 -1.95 -1.44 112.91 112.18 3hwc h THR 321 Ca 0.33 -0.68 -0.22 0.00 -0.55 0.00 0.00 66.41 65.30 3hwc h THR 321 Cb -0.06 1.02 0.02 0.00 -1.73 0.00 0.00 68.15 67.40 3hwc h THR 321 CO -0.06 0.23 -0.87 0.58 -0.25 0.00 0.00 175.52 175.15 3hwc h VAL 322 N 0.36 1.35 -0.89 6.82 2.07 -1.62 -3.03 116.25 121.30 3hwc h VAL 322 Ca 0.08 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.40 3hwc h VAL 322 Cb 0.29 2.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.53 3hwc h VAL 322 CO 0.01 0.66 0.56 0.28 0.02 0.00 0.00 177.57 179.10 3hwc h SER 323 N 0.16 1.05 -0.27 0.57 0.02 -0.76 -1.59 113.55 112.74 3hwc h SER 323 Ca -0.11 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.73 3hwc h SER 323 Cb 1.55 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 3hwc h SER 323 CO 0.17 0.79 -0.01 0.00 -1.14 0.00 0.00 176.83 176.65 3hwc h ALA 324 N 1.39 1.29 -0.17 3.77 0.00 -1.30 -0.61 119.26 123.63 3hwc h ALA 324 Ca 0.32 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 3hwc h ALA 324 Cb -0.09 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.55 3hwc h ALA 324 CO -0.06 0.48 -0.74 0.00 0.00 0.00 0.00 179.25 178.93 3hwc h ARG 325 N 0.57 0.77 -0.42 0.00 3.08 -1.27 -2.26 114.38 114.84 3hwc h ARG 325 Ca 0.12 -0.61 -0.06 0.00 0.07 0.00 0.00 59.98 59.50 3hwc h ARG 325 Cb 0.37 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3hwc h ARG 325 CO 0.01 1.22 0.02 0.28 -1.07 0.00 0.00 179.97 180.43 3hwc h VAL 326 N 0.54 1.22 -0.75 2.04 2.07 -1.10 -2.68 116.25 117.59 3hwc h VAL 326 Ca -0.04 -0.88 -0.05 0.00 0.82 0.00 0.00 66.70 66.55 3hwc h VAL 326 Cb 1.36 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 3hwc h VAL 326 CO 0.15 0.31 0.27 0.00 0.02 0.00 0.00 177.57 178.32 3hwc h ALA 327 N 1.39 0.97 0.00 1.67 0.00 -0.95 -0.74 119.26 121.60 3hwc h ALA 327 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hwc h ALA 327 Cb 0.37 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hwc h ALA 327 CO 0.01 0.63 0.00 1.57 0.00 0.00 0.00 179.25 181.46 3hwc h LYS 328 N 1.09 0.00 0.09 0.00 5.09 -1.17 0.20 116.57 121.87 3hwc h LYS 328 Ca 0.25 0.00 -0.29 0.00 0.09 0.00 0.00 60.65 60.70 3hwc h LYS 328 Cb 0.26 0.00 0.03 0.00 0.10 0.00 0.00 32.23 32.61 3hwc h LYS 328 CO -0.01 0.00 -1.18 -0.07 -2.09 0.00 0.00 179.45 176.10 3hwc h LEU 329 N 0.00 0.87 -0.85 7.07 3.38 -1.06 -2.57 115.31 122.15 3hwc h LEU 329 Ca 0.00 -0.81 0.02 0.00 0.09 0.00 0.00 57.88 57.19 3hwc h LEU 329 Cb 0.56 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3hwc h LEU 329 CO 0.00 1.59 0.55 0.58 0.09 0.00 0.00 178.44 181.25 3hwc h VAL 330 N 0.28 1.17 -0.61 1.22 2.07 -0.33 -2.17 116.25 117.88 3hwc h VAL 330 Ca -0.17 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.04 3hwc h VAL 330 Cb 1.85 -0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 3hwc h VAL 330 CO 0.23 0.20 0.29 0.00 0.02 0.00 0.00 177.57 178.31 3hwc h ALA 331 N 1.33 0.81 0.10 1.67 0.00 -0.63 -0.76 119.26 121.79 3hwc h ALA 331 Ca 0.33 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 3hwc h ALA 331 Cb -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hwc h ALA 331 CO -0.09 -0.08 -0.05 0.35 0.00 0.00 0.00 179.25 179.38 3hwc h PHE 332 N 0.53 -0.13 -0.44 0.00 3.57 -1.00 -0.18 116.94 119.30 3hwc h PHE 332 Ca 0.29 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.84 3hwc h PHE 332 Cb 0.27 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 3hwc h PHE 332 CO -0.12 -0.05 0.16 1.25 -2.23 0.00 0.00 178.31 177.32 3hwc h HIS 333 N -0.16 0.29 -0.35 0.41 2.76 -1.17 -0.44 115.15 116.49 3hwc h HIS 333 Ca -0.01 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 3hwc h HIS 333 Cb 0.13 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 3hwc h HIS 333 CO -0.06 0.11 0.14 -0.07 -1.30 0.00 0.00 177.93 176.75 3hwc h LEU 334 N 0.34 0.44 -0.16 0.26 4.07 -0.87 0.23 115.31 119.61 3hwc h LEU 334 Ca 0.20 -0.04 -0.21 0.00 0.08 0.00 0.00 57.88 57.91 3hwc h LEU 334 Cb 0.19 -0.11 0.01 0.00 1.08 0.00 0.00 40.66 41.82 3hwc h LEU 334 CO -0.20 0.41 -0.74 0.00 -1.08 0.00 0.00 178.44 176.83 3hwc h ALA 335 N 1.66 0.31 0.06 1.53 0.00 -0.42 -0.24 119.26 122.17 3hwc h ALA 335 Ca 0.12 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3hwc h ALA 335 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3hwc h ALA 335 CO -0.01 0.66 -0.03 0.52 0.00 0.00 0.00 179.25 180.39 3hwc h MET 336 N 0.53 -0.08 -1.00 0.00 2.86 -0.52 -2.55 114.93 114.17 3hwc h MET 336 Ca -0.05 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3hwc h MET 336 Cb 1.37 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.99 3hwc h MET 336 CO 0.15 0.09 0.66 0.37 1.06 0.00 0.00 176.91 179.24 3hwc h GLN 337 N -0.23 1.31 -0.67 1.72 4.15 -0.57 -1.98 115.11 118.84 3hwc h GLN 337 Ca -0.01 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.35 3hwc h GLN 337 Cb 0.20 -0.29 -0.04 0.00 0.21 0.00 0.00 27.48 27.56 3hwc h GLN 337 CO 0.01 0.86 0.43 0.00 -1.93 0.00 0.00 178.83 178.21 3hwc h ALA 338 N 1.38 0.85 -0.53 3.38 0.00 -0.93 0.26 119.26 123.67 3hwc h ALA 338 Ca 0.37 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.25 3hwc h ALA 338 Cb -0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.37 3hwc h ALA 338 CO -0.08 0.24 0.34 0.45 0.00 0.00 0.00 179.25 180.19 3hwc h HIS 339 N 0.87 0.64 0.10 0.00 3.86 -1.00 0.11 115.15 119.74 3hwc h HIS 339 Ca 0.25 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 3hwc h HIS 339 Cb -0.06 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.19 3hwc h HIS 339 CO -0.03 0.39 -0.09 1.25 0.86 0.00 0.00 177.93 180.31 3hwc h LEU 340 N 0.69 -0.24 -0.49 2.43 5.85 -0.69 -1.89 115.31 120.98 3hwc h LEU 340 Ca 0.20 0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.81 3hwc h LEU 340 Cb -0.05 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3hwc h LEU 340 CO -0.06 -0.14 -0.20 0.40 -0.34 0.00 0.00 178.44 178.10 3hwc h ILE 341 N -0.21 1.27 -0.41 4.05 2.04 -0.84 -2.60 117.51 120.81 3hwc h ILE 341 Ca 0.00 -1.36 -0.06 0.00 1.00 0.00 0.00 64.86 64.44 3hwc h ILE 341 Cb 0.20 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3hwc h ILE 341 CO -0.02 0.47 0.02 0.00 0.00 0.00 0.00 178.15 178.62 3hwc h ALA 342 N 0.87 1.27 -0.08 1.87 0.00 -0.93 -2.22 119.26 120.05 3hwc h ALA 342 Ca 0.11 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 3hwc h ALA 342 Cb 0.78 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3hwc h ALA 342 CO 0.06 0.49 -0.59 0.66 0.00 0.00 0.00 179.25 179.87 3hwc h SER 343 N 0.61 0.31 0.74 0.00 4.64 -1.20 -2.59 113.55 116.06 3hwc h SER 343 Ca 0.13 -0.17 -0.10 0.00 -0.47 0.00 0.00 61.79 61.18 3hwc h SER 343 Cb 0.36 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 3hwc h SER 343 CO 0.01 0.83 -0.46 -0.33 -0.87 0.00 0.00 176.83 176.01 3hwc h GLU 344 N 0.21 0.00 0.00 4.77 5.08 -1.18 0.43 114.58 123.89 3hwc h GLU 344 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3hwc h GLU 344 Cb 1.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 3hwc h GLU 344 CO 0.09 0.46 -0.62 0.93 -1.00 0.00 0.00 179.01 178.88 3hwc h GLU 345 N 0.00 0.00 -0.43 2.33 3.07 -1.23 -3.36 114.58 114.96 3hwc h GLU 345 Ca -0.00 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.58 3hwc h GLU 345 Cb 0.96 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 28.68 3hwc h GLU 345 CO 0.06 0.03 -0.28 0.25 -1.40 0.00 0.00 179.01 177.67 3hwc n THR 346 N -2.87 2.57 -1.43 1.13 -2.24 -0.99 -5.04 114.28 105.40 3hwc n THR 346 Ca 0.01 -3.25 -0.21 0.00 -2.27 0.00 0.00 64.05 58.32 3hwc n THR 346 Cb 0.56 -0.58 0.16 0.00 -2.10 0.00 0.00 70.33 68.37 3hwc n THR 346 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hwc n GLY 347 N -1.00 -1.80 3.32 3.38 0.00 -1.20 -4.28 105.19 103.61 3hwc n GLY 347 Ca 0.36 -1.63 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 3hwc n GLY 347 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hwc s PHE 348 N -2.91 1.01 -0.10 1.61 -0.12 -0.10 -4.91 117.98 112.45 3hwc s PHE 348 Ca 0.54 -1.24 -0.04 0.00 -0.05 0.00 0.00 56.93 56.14 3hwc s PHE 348 Cb -0.03 -0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 41.97 3hwc s PHE 348 CO 0.39 -0.78 0.05 -1.01 -0.05 0.00 0.00 175.22 173.81 3hwc s HIS 349 N -3.98 3.31 1.00 3.49 3.76 -1.26 -0.18 115.29 121.43 3hwc s HIS 349 Ca 0.34 0.30 -0.16 0.00 -0.15 0.00 0.00 55.06 55.39 3hwc s HIS 349 Cb 0.04 -1.86 0.20 0.00 1.11 0.00 0.00 32.58 32.08 3hwc s HIS 349 CO 0.13 0.54 1.24 0.95 -0.85 0.00 0.00 174.74 176.75 3hwc s THR 350 N -0.85 1.91 0.44 1.30 -4.23 0.10 -4.91 115.64 109.40 3hwc s THR 350 Ca 0.13 0.00 0.28 0.00 -1.18 0.00 0.00 61.69 60.92 3hwc s THR 350 Cb -0.12 -2.85 0.31 0.00 1.34 0.00 0.00 72.50 71.18 3hwc s THR 350 CO 0.03 0.00 2.10 0.50 -0.54 0.00 0.00 174.62 176.71 3hwc h LYS 351 N -1.79 0.00 -0.19 3.99 3.64 -1.90 -1.77 116.57 118.55 3hwc h LYS 351 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3hwc h LYS 351 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 3hwc h LYS 351 CO 0.43 0.10 0.00 0.41 -2.27 0.00 0.00 179.45 178.11 3hwc n GLY 352 N -0.80 0.11 1.92 5.01 0.00 -1.25 -4.89 105.19 105.29 3hwc n GLY 352 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3hwc n GLY 352 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hwc n GLY 353 N 0.99 0.51 3.74 -0.02 0.00 -0.66 -5.02 105.19 104.73 3hwc n GLY 353 Ca 0.12 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3hwc n GLY 353 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hwc s ARG 354 N -0.12 4.46 -0.47 1.61 0.52 -1.26 -4.61 118.95 119.08 3hwc s ARG 354 Ca 0.00 0.98 -0.24 0.00 -0.52 0.00 0.00 55.73 55.96 3hwc s ARG 354 Cb 0.00 -3.38 0.03 0.00 0.52 0.00 0.00 34.95 32.11 3hwc s ARG 354 CO 0.00 0.23 0.83 -0.47 0.02 0.00 0.00 175.30 175.91 3hwc s TYR 355 N 0.18 2.95 -0.08 -0.53 6.14 -0.25 -0.72 117.35 125.04 3hwc s TYR 355 Ca 0.38 0.15 -0.10 0.00 0.64 0.00 0.00 57.07 58.14 3hwc s TYR 355 Cb -0.19 -3.78 -0.05 0.00 0.42 0.00 0.00 41.96 38.36 3hwc s TYR 355 CO 0.21 -1.06 0.25 0.15 0.64 0.00 0.00 175.55 175.74 3hwc s LYS 356 N 3.45 3.69 0.99 4.97 1.02 0.75 -4.84 119.74 129.76 3hwc s LYS 356 Ca 0.31 0.09 -0.12 0.00 0.02 0.00 0.00 55.97 56.27 3hwc s LYS 356 Cb -0.12 -3.22 0.18 0.00 -0.52 0.00 0.00 37.83 34.15 3hwc s LYS 356 CO 0.23 0.70 1.08 -2.14 -0.92 0.00 0.00 175.35 174.30 3hwc s PRO 357 N -0.93 0.51 -0.41 -1.68 0.02 -1.26 -0.93 135.00 130.31 3hwc s PRO 357 Ca 0.18 0.90 -0.29 0.00 0.02 0.00 0.00 61.00 61.81 3hwc s PRO 357 Cb -0.14 -1.72 0.01 0.00 0.02 0.00 0.00 34.50 32.68 3hwc s PRO 357 CO 0.07 -2.78 1.36 1.21 -0.33 0.00 0.00 177.00 176.53 3hwc s ASN 358 N -3.06 6.41 0.39 2.53 3.84 0.15 -4.68 114.94 120.52 3hwc s ASN 358 Ca 0.66 0.80 0.09 0.00 0.21 0.00 0.00 52.86 54.61 3hwc s ASN 358 Cb -0.21 -2.54 0.79 0.00 -0.55 0.00 0.00 41.25 38.74 3hwc s ASN 358 CO 0.59 -1.38 1.93 -0.65 -2.79 0.00 0.00 177.10 174.81 3hwc h PRO 359 N 10.35 0.28 -0.46 0.43 0.11 -1.92 -1.88 132.00 138.92 3hwc h PRO 359 Ca -0.27 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 65.81 3hwc h PRO 359 Cb 1.10 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3hwc h PRO 359 CO 1.09 0.38 0.28 1.25 -0.21 0.00 0.00 178.00 180.78 3hwc h LEU 360 N 0.27 0.45 0.03 2.35 6.46 -1.99 -1.09 115.31 121.79 3hwc h LEU 360 Ca 0.06 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.78 3hwc h LEU 360 Cb 0.31 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.16 3hwc h LEU 360 CO 0.02 0.32 -0.19 0.40 -0.62 0.00 0.00 178.44 178.36 3hwc h ILE 361 N 0.55 1.70 0.00 4.05 2.04 -1.82 -2.76 117.51 121.27 3hwc h ILE 361 Ca 0.18 -2.30 -0.07 0.00 1.00 0.00 0.00 64.86 63.67 3hwc h ILE 361 Cb 0.01 3.25 -0.01 0.00 -0.74 0.00 0.00 36.82 39.33 3hwc h ILE 361 CO -0.08 0.61 -0.32 0.10 0.00 0.00 0.00 178.15 178.46 3hwc h TYR 362 N -0.80 0.00 -0.03 1.37 -0.00 -1.42 -0.10 116.97 116.00 3hwc h TYR 362 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 58.73 58.49 3hwc h TYR 362 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.84 3hwc h TYR 362 CO 0.25 0.32 -0.88 -0.44 -0.00 0.00 0.00 178.16 177.41 3hwc h ASP 363 N 0.00 0.52 0.90 0.10 3.45 -1.29 -1.18 116.42 118.92 3hwc h ASP 363 Ca -0.00 -0.39 -0.09 0.00 0.43 0.00 0.00 57.03 56.98 3hwc h ASP 363 Cb 0.72 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.32 3hwc h ASP 363 CO 0.04 1.17 -0.42 -0.26 -1.57 0.00 0.00 179.24 178.20 3hwc h PHE 364 N 0.25 0.00 -0.55 4.55 0.04 -1.31 -2.31 116.94 117.61 3hwc h PHE 364 Ca -0.06 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.67 3hwc h PHE 364 Cb 1.50 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.62 3hwc h PHE 364 CO 0.05 0.42 0.19 0.78 -0.60 0.00 0.00 178.31 179.16 3hwc h GLY 365 N 2.22 0.90 0.98 -1.45 0.00 -0.82 -1.49 103.07 103.41 3hwc h GLY 365 Ca -0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 3hwc h GLY 365 CO 0.06 0.48 0.24 3.21 0.00 0.00 0.00 176.54 180.53 3hwc h ARG 366 N 0.76 0.58 -0.05 4.80 3.08 -1.02 -2.54 114.38 119.99 3hwc h ARG 366 Ca 0.18 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 3hwc h ARG 366 Cb 0.25 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3hwc h ARG 366 CO -0.01 0.45 -0.09 0.00 -1.07 0.00 0.00 179.97 179.25 3hwc h ALA 367 N 1.10 1.77 -0.48 0.04 0.00 -1.27 -0.95 119.26 119.48 3hwc h ALA 367 Ca 0.15 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3hwc h ALA 367 Cb 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3hwc h ALA 367 CO -0.03 0.17 -0.14 1.25 0.00 0.00 0.00 179.25 180.51 3hwc h HIS 368 N 0.07 1.06 -0.08 0.00 -0.00 -0.88 -2.46 115.15 112.85 3hwc h HIS 368 Ca 0.01 -0.24 -0.02 0.00 -0.00 0.00 0.00 60.37 60.13 3hwc h HIS 368 Cb 0.20 -0.25 -0.00 0.00 -0.00 0.00 0.00 27.41 27.36 3hwc h HIS 368 CO 0.00 1.03 -0.02 0.35 -0.00 0.00 0.00 177.93 179.29 3hwc h PHE 369 N 0.78 0.18 -0.52 5.26 3.57 -0.97 -2.79 116.94 122.45 3hwc h PHE 369 Ca 0.12 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3hwc h PHE 369 Cb 0.70 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 3hwc h PHE 369 CO 0.05 0.47 0.25 -0.07 -2.23 0.00 0.00 178.31 176.78 3hwc h LEU 370 N -0.17 0.65 -0.27 0.59 3.38 -1.21 0.19 115.31 118.48 3hwc h LEU 370 Ca 0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3hwc h LEU 370 Cb 0.41 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3hwc h LEU 370 CO 0.01 0.56 -0.09 1.56 0.09 0.00 0.00 178.44 180.56 3hwc h GLN 371 N 0.73 0.00 0.00 1.13 4.20 -1.45 -3.35 115.11 116.37 3hwc h GLN 371 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3hwc h GLN 371 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3hwc h GLN 371 CO -0.02 0.09 -0.85 0.09 -0.67 0.00 0.00 178.83 177.46 3hwc n ASN 372 N -3.13 1.35 -0.11 1.46 3.02 -0.75 -4.74 115.26 112.35 3hwc n ASN 372 Ca 0.03 -0.44 0.07 0.00 -0.03 0.00 0.00 54.58 54.21 3hwc n ASN 372 Cb 0.53 1.18 0.40 0.00 -0.61 0.00 0.00 39.78 41.28 3hwc n ASN 372 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 3hwc h GLN 373 N 0.00 0.62 -0.11 3.52 3.07 -0.79 0.02 115.11 121.43 3hwc h GLN 373 Ca 0.00 -0.04 -0.11 0.00 0.09 0.00 0.00 58.65 58.59 3hwc h GLN 373 Cb 0.32 -0.14 0.00 0.00 0.08 0.00 0.00 27.48 27.74 3hwc h GLN 373 CO 0.00 0.41 -0.36 0.52 0.09 0.00 0.00 178.83 179.49 3hwc h MET 374 N 0.63 0.44 -0.87 0.06 2.86 -1.85 -1.65 114.93 114.56 3hwc h MET 374 Ca 0.26 -0.33 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3hwc h MET 374 Cb 0.22 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.89 3hwc h MET 374 CO -0.08 0.95 0.57 1.03 1.06 0.00 0.00 176.91 180.44 3hwc h SER 375 N 0.02 0.95 -0.39 1.22 0.87 -1.71 -1.54 113.55 112.98 3hwc h SER 375 Ca -0.01 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 3hwc h SER 375 Cb 0.98 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 3hwc h SER 375 CO 0.08 0.67 0.05 0.58 -0.53 0.00 0.00 176.83 177.67 3hwc h VAL 376 N 1.12 1.25 0.00 2.23 2.07 -0.97 -2.77 116.25 119.17 3hwc h VAL 376 Ca 0.34 -0.90 -0.08 0.00 0.82 0.00 0.00 66.70 66.87 3hwc h VAL 376 Cb -0.04 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3hwc h VAL 376 CO -0.10 0.31 -0.40 0.00 0.02 0.00 0.00 177.57 177.40 3hwc h MET 377 N 0.50 0.00 -0.50 1.57 3.00 -1.08 -2.37 114.93 116.05 3hwc h MET 377 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 59.70 59.74 3hwc h MET 377 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 31.60 31.97 3hwc h MET 377 CO 0.01 0.40 -0.01 -0.92 0.00 0.00 0.00 176.91 176.39 3hwc h TYR 378 N 0.00 0.91 -0.61 -0.10 3.20 -1.17 0.52 116.97 119.71 3hwc h TYR 378 Ca -0.00 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.72 3hwc h TYR 378 Cb 0.84 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 3hwc h TYR 378 CO 0.00 0.84 0.36 0.93 -1.64 0.00 0.00 178.16 178.64 3hwc h GLU 379 N 0.79 0.83 -0.48 1.82 4.39 -1.15 0.16 114.58 120.94 3hwc h GLU 379 Ca 0.15 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 3hwc h GLU 379 Cb 0.49 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 3hwc h GLU 379 CO 0.02 0.61 0.11 1.25 -1.16 0.00 0.00 179.01 179.84 3hwc h LEU 380 N 0.83 0.74 -0.90 1.33 5.85 -1.04 -0.16 115.31 121.95 3hwc h LEU 380 Ca 0.22 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 3hwc h LEU 380 Cb -0.00 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3hwc h LEU 380 CO -0.04 0.79 0.03 -0.07 -0.34 0.00 0.00 178.44 178.81 3hwc h LEU 381 N 0.65 0.80 -0.69 2.25 3.38 -0.66 -1.13 115.31 119.92 3hwc h LEU 381 Ca 0.15 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 3hwc h LEU 381 Cb 0.35 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3hwc h LEU 381 CO 0.00 0.85 -0.35 -0.78 0.09 0.00 0.00 178.44 178.25 3hwc h ASP 382 N 0.79 0.65 0.66 -0.43 3.58 -0.42 -2.42 116.42 118.83 3hwc h ASP 382 Ca 0.16 -0.27 -0.15 0.00 0.42 0.00 0.00 57.03 57.18 3hwc h ASP 382 Cb 0.43 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 3hwc h ASP 382 CO 0.02 0.95 -0.71 -0.07 -2.88 0.00 0.00 179.24 176.54 3hwc h LEU 383 N 0.52 0.06 -0.31 2.28 3.38 -0.66 -3.16 115.31 117.42 3hwc h LEU 383 Ca 0.05 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3hwc h LEU 383 Cb 0.85 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3hwc h LEU 383 CO 0.07 0.75 -0.50 0.00 0.09 0.00 0.00 178.44 178.85 3hwc h ALA 384 N 1.25 0.75 -0.90 1.53 0.00 -1.10 -3.44 119.26 117.34 3hwc h ALA 384 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3hwc h ALA 384 Cb 1.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hwc h ALA 384 CO 0.10 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.39 3hwc n GLY 385 N 0.91 2.85 0.04 0.00 0.00 -0.92 -2.56 105.19 105.51 3hwc n GLY 385 Ca 0.01 -0.35 0.05 0.00 0.00 0.00 0.00 46.02 45.73 3hwc n GLY 385 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hwc n ARG 386 N 14.00 0.05 0.15 1.61 1.85 -1.26 -2.98 116.66 130.08 3hwc n ARG 386 Ca 0.00 0.45 0.13 0.00 -1.00 0.00 0.00 57.85 57.43 3hwc n ARG 386 Cb 0.00 -1.62 0.44 0.00 -1.05 0.00 0.00 32.46 30.23 3hwc n ARG 386 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3hwc h SER 387 N 0.00 0.00 0.03 2.89 4.64 -1.81 0.31 113.55 119.61 3hwc h SER 387 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hwc h SER 387 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3hwc h SER 387 CO 0.00 0.00 -0.11 -1.54 -0.87 0.00 0.00 176.83 174.31 3hwc n SER 388 N -2.47 1.91 0.03 4.97 3.41 -1.16 -4.33 113.62 115.98 3hwc n SER 388 Ca 0.04 -1.53 -0.00 0.00 -0.26 0.00 0.00 58.87 57.11 3hwc n SER 388 Cb 0.36 0.09 -0.00 0.00 -0.26 0.00 0.00 64.21 64.40 3hwc n SER 388 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3hwc n LEU 389 N 0.33 0.86 -3.75 1.04 7.94 -0.66 -4.61 117.00 118.14 3hwc n LEU 389 Ca 0.15 0.11 -0.42 0.00 -1.11 0.00 0.00 56.01 54.74 3hwc n LEU 389 Cb 0.44 -0.28 0.00 0.00 0.53 0.00 0.00 43.42 44.11 3hwc n LEU 389 CO 0.19 -0.66 2.61 0.23 -1.11 0.00 0.00 177.39 178.65 3hwc n MET 390 N -3.28 2.93 -3.49 1.96 2.81 0.10 -4.92 117.12 113.24 3hwc n MET 390 Ca -0.01 -2.70 -0.39 0.00 -1.81 0.00 0.00 57.70 52.79 3hwc n MET 390 Cb 0.03 -3.25 -0.10 0.00 -0.71 0.00 0.00 33.22 29.18 3hwc n MET 390 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3hwc s ILE 391 N 2.92 5.24 0.24 2.02 1.01 -1.26 -4.82 121.20 126.55 3hwc s ILE 391 Ca 0.46 0.23 -0.31 0.00 0.00 0.00 0.00 60.65 61.04 3hwc s ILE 391 Cb 0.13 -3.65 -0.11 0.00 0.01 0.00 0.00 42.46 38.84 3hwc s ILE 391 CO -0.08 0.13 1.58 -2.84 0.00 0.00 0.00 174.94 173.74 3hwc s PRO 392 N 1.90 4.18 0.75 2.79 0.02 -1.26 -5.00 135.00 138.37 3hwc s PRO 392 Ca 0.10 2.47 -0.11 0.00 0.02 0.00 0.00 61.00 63.48 3hwc s PRO 392 Cb -0.16 -3.08 0.04 0.00 0.02 0.00 0.00 34.50 31.31 3hwc s PRO 392 CO 0.11 -0.60 1.09 -1.54 -0.33 0.00 0.00 177.00 175.72 3hwc s SER 393 N 0.75 5.00 0.17 2.53 1.04 -1.26 -4.83 113.70 117.10 3hwc s SER 393 Ca 0.66 1.28 -0.16 0.00 0.48 0.00 0.00 55.95 58.21 3hwc s SER 393 Cb -0.46 -2.07 0.12 0.00 0.10 0.00 0.00 66.02 63.71 3hwc s SER 393 CO 0.40 -1.65 1.67 -0.08 0.98 0.00 0.00 173.24 174.56 3hwc h GLU 394 N -0.86 0.02 -0.21 4.02 4.57 -1.94 -0.99 114.58 119.18 3hwc h GLU 394 Ca -0.46 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.71 3hwc h GLU 394 Cb 1.25 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.83 3hwc h GLU 394 CO 0.61 0.01 0.08 0.78 -1.18 0.00 0.00 179.01 179.31 3hwc h GLY 395 N 0.02 0.31 1.41 1.92 0.00 -1.98 -0.64 103.07 104.11 3hwc h GLY 395 Ca 0.21 -0.13 -0.25 0.00 0.00 0.00 0.00 47.33 47.16 3hwc h GLY 395 CO -0.43 0.13 -1.00 1.46 0.00 0.00 0.00 176.54 176.69 3hwc h GLN 396 N 0.29 0.53 -0.23 4.80 4.20 -1.68 -2.41 115.11 120.60 3hwc h GLN 396 Ca 0.07 -0.58 -0.11 0.00 0.06 0.00 0.00 58.65 58.10 3hwc h GLN 396 Cb 0.07 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 3hwc h GLN 396 CO -0.01 1.20 -0.33 2.35 -0.67 0.00 0.00 178.83 181.38 3hwc h TRP 397 N 0.29 0.56 0.00 2.96 2.91 -0.64 -3.07 115.95 118.96 3hwc h TRP 397 Ca -0.10 -0.14 0.00 0.00 1.13 0.00 0.00 58.89 59.77 3hwc h TRP 397 Cb 1.65 -0.13 0.00 0.00 -0.51 0.00 0.00 29.16 30.17 3hwc h TRP 397 CO 0.08 0.76 -0.50 -0.25 -1.03 0.00 0.00 178.44 177.50 3hwc n ASP 398 N -4.07 0.51 -4.68 2.65 10.43 -0.30 -4.42 116.55 116.66 3hwc n ASP 398 Ca -0.01 -0.09 -0.54 0.00 2.57 0.00 0.00 54.79 56.72 3hwc n ASP 398 Cb 0.46 0.17 -0.06 0.00 1.84 0.00 0.00 41.12 43.53 3hwc n ASP 398 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3hwc n ASP 399 N -1.66 2.52 0.27 -2.24 2.03 -0.91 -4.83 116.55 111.73 3hwc n ASP 399 Ca 0.05 1.06 0.10 0.00 0.52 0.00 0.00 54.79 56.52 3hwc n ASP 399 Cb 0.36 -1.22 0.71 0.00 -0.72 0.00 0.00 41.12 40.25 3hwc n ASP 399 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3hwc h SER 400 N 7.04 0.00 0.13 1.67 0.02 -1.91 0.12 113.55 120.62 3hwc h SER 400 Ca -0.47 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.12 3hwc h SER 400 Cb 1.31 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.81 3hwc h SER 400 CO 0.92 0.04 -2.13 1.67 -1.14 0.00 0.00 176.83 176.19 3hwc n GLN 401 N -4.21 0.70 -0.00 3.45 7.27 -1.26 -4.67 117.38 118.66 3hwc n GLN 401 Ca -0.03 0.21 0.02 0.00 0.07 0.00 0.00 57.00 57.27 3hwc n GLN 401 Cb 0.13 -1.65 -0.02 0.00 2.41 0.00 0.00 30.24 31.10 3hwc n GLN 401 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 3hwc n SER 402 N -3.29 0.73 -0.28 1.69 7.64 -1.17 -4.68 113.62 114.26 3hwc n SER 402 Ca -0.34 -0.51 0.16 0.00 1.01 0.00 0.00 58.87 59.19 3hwc n SER 402 Cb 1.04 1.03 0.43 0.00 -1.01 0.00 0.00 64.21 65.70 3hwc n SER 402 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3hwc h GLY 403 N 0.86 1.19 2.00 0.23 0.00 -0.88 -1.00 103.07 105.48 3hwc h GLY 403 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 3hwc h GLY 403 CO 0.00 0.00 -0.18 -1.61 0.00 0.00 0.00 176.54 174.76 3hwc h GLN 404 N 0.57 0.00 -0.71 4.80 5.75 -1.83 -1.71 115.11 121.98 3hwc h GLN 404 Ca 0.50 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.94 3hwc h GLN 404 Cb 1.01 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.53 3hwc h GLN 404 CO -0.24 0.18 0.22 -1.49 -2.65 0.00 0.00 178.83 174.85 3hwc h TRP 405 N 0.00 1.14 -0.19 3.99 -0.00 -1.51 -2.59 115.95 116.79 3hwc h TRP 405 Ca -0.00 -0.12 -0.13 0.00 -0.00 0.00 0.00 58.89 58.65 3hwc h TRP 405 Cb 0.37 -0.33 -0.01 0.00 -0.00 0.00 0.00 29.16 29.19 3hwc h TRP 405 CO 0.00 0.91 -0.42 0.74 -0.00 0.00 0.00 178.44 179.67 3hwc h PHE 406 N 1.04 0.52 -0.83 0.49 -1.00 -1.37 -1.02 116.94 114.77 3hwc h PHE 406 Ca 0.23 -0.15 -0.02 0.00 2.81 0.00 0.00 57.97 60.83 3hwc h PHE 406 Cb 0.30 -0.11 -0.04 0.00 3.61 0.00 0.00 35.95 39.71 3hwc h PHE 406 CO 0.02 0.79 0.43 0.28 -1.61 0.00 0.00 178.31 178.22 3hwc h VAL 407 N 0.36 1.25 -0.26 -0.55 2.07 -1.32 -2.14 116.25 115.66 3hwc h VAL 407 Ca 0.03 -0.65 -0.17 0.00 0.82 0.00 0.00 66.70 66.73 3hwc h VAL 407 Cb 0.89 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3hwc h VAL 407 CO 0.08 0.29 -0.49 0.11 0.02 0.00 0.00 177.57 177.58 3hwc h LYS 408 N 1.17 0.79 -0.66 1.57 1.57 -1.09 -2.65 116.57 117.27 3hwc h LYS 408 Ca 0.29 -0.50 0.02 0.00 -1.87 0.00 0.00 60.65 58.59 3hwc h LYS 408 Cb 0.07 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 3hwc h LYS 408 CO -0.04 1.13 0.44 -0.07 -0.57 0.00 0.00 179.45 180.34 3hwc h LEU 409 N 0.55 0.71 -2.33 2.94 3.38 -1.00 -2.76 115.31 116.79 3hwc h LEU 409 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hwc h LEU 409 Cb 1.09 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3hwc h LEU 409 CO 0.11 0.50 0.00 0.59 0.09 0.00 0.00 178.44 179.73 3hwc n ASN 410 N -4.45 3.46 -4.75 -0.43 4.13 -0.82 -4.93 115.26 107.46 3hwc n ASN 410 Ca 0.08 -1.98 -0.40 0.00 1.68 0.00 0.00 54.58 53.95 3hwc n ASN 410 Cb 0.09 -0.31 -0.05 0.00 -1.54 0.00 0.00 39.78 37.97 3hwc n ASN 410 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 3hwc s ASN 411 N -1.35 7.35 0.01 6.41 3.84 -1.00 -4.22 114.94 125.98 3hwc s ASN 411 Ca 0.41 1.61 0.00 0.00 0.21 0.00 0.00 52.86 55.09 3hwc s ASN 411 Cb 0.23 -2.51 -0.00 0.00 -0.55 0.00 0.00 41.25 38.42 3hwc s ASN 411 CO 0.32 0.08 0.01 0.61 -2.79 0.00 0.00 177.10 175.33 3hwc n GLY 412 N 2.03 3.83 0.40 1.21 0.00 -1.26 -4.99 105.19 106.40 3hwc n GLY 412 Ca -0.03 -1.62 0.18 0.00 0.00 0.00 0.00 46.02 44.56 3hwc n GLY 412 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hwc h PRO 413 N 0.00 0.44 0.00 1.61 0.11 -1.83 0.76 132.00 133.09 3hwc h PRO 413 Ca -0.01 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 3hwc h PRO 413 Cb 0.05 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3hwc h PRO 413 CO 0.01 0.29 -0.35 0.87 -0.21 0.00 0.00 178.00 178.61 3hwc h LYS 414 N 0.45 0.00 -2.23 1.05 1.79 -1.80 -3.48 116.57 112.36 3hwc h LYS 414 Ca 0.48 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.79 3hwc h LYS 414 Cb 1.14 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.82 3hwc h LYS 414 CO -0.20 0.35 -0.25 0.41 -1.08 0.00 0.00 179.45 178.68 3hwc n GLY 415 N 0.70 0.20 2.50 3.86 0.00 0.26 -5.01 105.19 107.70 3hwc n GLY 415 Ca 0.01 -0.39 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 3hwc n GLY 415 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hwc n ASN 416 N -0.05 0.37 -0.26 1.61 3.02 -1.26 -4.96 115.26 113.73 3hwc n ASN 416 Ca -0.04 -2.58 0.06 0.00 -0.03 0.00 0.00 54.58 51.99 3hwc n ASN 416 Cb 0.55 -0.60 0.18 0.00 -0.61 0.00 0.00 39.78 39.30 3hwc n ASN 416 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3hwc h PRO 417 N 5.52 0.18 -0.82 3.52 0.11 -1.87 0.22 132.00 138.86 3hwc h PRO 417 Ca 0.24 -0.01 0.18 0.00 0.11 0.00 0.00 66.00 66.51 3hwc h PRO 417 Cb 0.87 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 31.88 3hwc h PRO 417 CO 0.46 0.12 0.55 0.00 -0.21 0.00 0.00 178.00 178.91 3hwc h ARG 418 N 0.19 0.36 -0.93 1.05 2.47 -1.93 -2.43 114.38 113.16 3hwc h ARG 418 Ca 0.43 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 59.12 3hwc h ARG 418 Cb 0.76 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.96 3hwc h ARG 418 CO -0.59 0.24 0.54 0.93 0.56 0.00 0.00 179.97 181.65 3hwc h GLU 419 N 0.37 1.28 -0.38 0.04 5.08 -1.31 -1.83 114.58 117.84 3hwc h GLU 419 Ca 0.41 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.66 3hwc h GLU 419 Cb 1.04 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 3hwc h GLU 419 CO -0.13 0.91 0.25 -0.09 -1.00 0.00 0.00 179.01 178.95 3hwc h ARG 420 N 1.29 0.44 0.08 2.33 2.43 -1.55 -0.45 114.38 118.96 3hwc h ARG 420 Ca 0.33 -0.03 -0.27 0.00 -0.81 0.00 0.00 59.98 59.20 3hwc h ARG 420 Cb -0.02 -0.10 0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3hwc h ARG 420 CO -0.06 0.29 -1.14 0.28 -1.51 0.00 0.00 179.97 177.83 3hwc h VAL 421 N 0.46 1.36 -0.57 0.20 2.07 -1.49 -1.26 116.25 117.02 3hwc h VAL 421 Ca 0.14 -2.55 -0.01 0.00 0.82 0.00 0.00 66.70 65.11 3hwc h VAL 421 Cb 0.02 2.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 3hwc h VAL 421 CO -0.03 0.77 0.32 1.56 0.02 0.00 0.00 177.57 180.20 3hwc h GLN 422 N 0.24 0.79 -0.24 1.57 4.20 -0.56 -1.33 115.11 119.78 3hwc h GLN 422 Ca -0.14 -0.09 -0.19 0.00 0.06 0.00 0.00 58.65 58.29 3hwc h GLN 422 Cb 1.81 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.43 3hwc h GLN 422 CO 0.21 0.60 -0.61 0.82 -0.67 0.00 0.00 178.83 179.18 3hwc h ILE 423 N 0.76 1.28 -0.57 2.54 2.04 -1.16 -3.11 117.51 119.30 3hwc h ILE 423 Ca 0.20 -1.81 -0.01 0.00 1.00 0.00 0.00 64.86 64.24 3hwc h ILE 423 Cb 0.04 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 3hwc h ILE 423 CO -0.03 0.58 0.33 1.23 0.00 0.00 0.00 178.15 180.26 3hwc h GLY 424 N 0.74 0.83 1.85 5.37 0.00 -1.04 -2.42 103.07 108.40 3hwc h GLY 424 Ca -0.00 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 46.85 3hwc h GLY 424 CO 0.13 0.33 -0.61 3.21 0.00 0.00 0.00 176.54 179.60 3hwc h ARG 425 N 0.79 0.15 0.14 4.80 3.08 -1.18 -1.03 114.38 121.12 3hwc h ARG 425 Ca 0.20 -0.11 -0.28 0.00 0.07 0.00 0.00 59.98 59.87 3hwc h ARG 425 Cb -0.01 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.07 3hwc h ARG 425 CO -0.04 0.71 -1.26 -0.39 -1.07 0.00 0.00 179.97 177.93 3hwc h VAL 426 N 0.11 1.43 -0.47 2.04 -1.51 -1.46 -2.25 116.25 114.14 3hwc h VAL 426 Ca -0.01 -2.88 -0.01 0.00 -1.23 0.00 0.00 66.70 62.57 3hwc h VAL 426 Cb 1.10 2.89 -0.02 0.00 -2.13 0.00 0.00 31.29 33.13 3hwc h VAL 426 CO 0.09 0.85 0.24 0.40 -1.23 0.00 0.00 177.57 177.92 3hwc h ILE 427 N 0.12 1.18 -0.44 7.19 2.04 -1.41 -0.55 117.51 125.64 3hwc h ILE 427 Ca -0.16 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 3hwc h ILE 427 Cb 1.96 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 3hwc h ILE 427 CO 0.22 0.19 0.23 -0.09 0.00 0.00 0.00 178.15 178.70 3hwc h ARG 428 N 0.62 0.63 -0.75 2.37 2.43 -1.24 -1.79 114.38 116.66 3hwc h ARG 428 Ca 0.16 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3hwc h ARG 428 Cb 0.09 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 3hwc h ARG 428 CO -0.02 0.52 0.30 -0.44 -1.51 0.00 0.00 179.97 178.81 3hwc h ASP 429 N 0.58 1.02 -0.32 -3.80 3.45 -1.26 0.39 116.42 116.47 3hwc h ASP 429 Ca 0.15 -0.15 -0.10 0.00 0.43 0.00 0.00 57.03 57.36 3hwc h ASP 429 Cb 0.09 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.59 3hwc h ASP 429 CO -0.02 0.90 -0.20 -0.07 -1.57 0.00 0.00 179.24 178.28 3hwc h LEU 430 N 1.08 0.73 -0.65 1.55 4.07 -0.89 -3.25 115.31 117.95 3hwc h LEU 430 Ca 0.25 -0.43 0.00 0.00 0.08 0.00 0.00 57.88 57.78 3hwc h LEU 430 Cb 0.20 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3hwc h LEU 430 CO -0.02 1.00 0.00 -1.22 -1.08 0.00 0.00 178.44 177.12 3hwc n TYR 431 N -4.32 0.00 -1.09 1.13 4.02 -0.69 -4.33 117.16 111.88 3hwc n TYR 431 Ca -0.03 -0.02 0.04 0.00 -0.01 0.00 0.00 57.90 57.87 3hwc n TYR 431 Cb 0.42 -0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.79 3hwc n TYR 431 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3hwc n LEU 432 N -0.02 1.30 -4.52 7.72 4.77 0.14 -4.87 117.00 121.52 3hwc n LEU 432 Ca 0.00 -1.85 -0.25 0.00 -0.03 0.00 0.00 56.01 53.88 3hwc n LEU 432 Cb 0.15 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 40.97 3hwc n LEU 432 CO 0.00 0.44 -0.37 0.42 -1.33 0.00 0.00 177.39 176.54 3hwc s THR 433 N -1.30 2.06 0.32 -5.08 -4.23 -1.06 -4.91 115.64 101.44 3hwc s THR 433 Ca 0.12 -2.17 0.10 0.00 -1.18 0.00 0.00 61.69 58.55 3hwc s THR 433 Cb 0.11 -2.61 0.04 0.00 1.34 0.00 0.00 72.50 71.38 3hwc s THR 433 CO 0.01 -0.21 1.73 -2.24 -0.54 0.00 0.00 174.62 173.36 3hwc h ASP 434 N 2.08 0.10 -0.77 3.99 3.04 -1.91 -1.71 116.42 121.23 3hwc h ASP 434 Ca -0.42 -0.04 0.04 0.00 -3.24 0.00 0.00 57.03 53.37 3hwc h ASP 434 Cb 1.25 -0.03 -0.05 0.00 -1.04 0.00 0.00 39.33 39.46 3hwc h ASP 434 CO 0.70 0.53 0.49 -0.25 -2.04 0.00 0.00 179.24 178.67 3hwc h TRP 435 N 0.08 0.91 -0.18 4.15 7.01 -1.87 -2.37 115.95 123.67 3hwc h TRP 435 Ca 0.00 0.02 -0.18 0.00 2.11 0.00 0.00 58.89 60.85 3hwc h TRP 435 Cb 0.82 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 27.58 3hwc h TRP 435 CO 0.01 0.51 -0.62 0.78 -2.79 0.00 0.00 178.44 176.32 3hwc h GLY 436 N 0.94 0.70 2.00 2.65 0.00 -1.50 -3.22 103.07 104.64 3hwc h GLY 436 Ca 0.31 -0.87 -0.05 0.00 0.00 0.00 0.00 47.33 46.72 3hwc h GLY 436 CO -0.12 0.78 -0.24 -1.33 0.00 0.00 0.00 176.54 175.63 3hwc h GLY 437 N 0.94 0.00 0.36 4.60 0.00 -1.04 -2.40 103.07 105.53 3hwc h GLY 437 Ca -0.01 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.53 3hwc h GLY 437 CO 0.12 0.00 0.58 -0.09 0.00 0.00 0.00 176.54 177.15 3hwc h ARG 438 N 0.00 0.22 0.00 4.80 1.12 -1.44 -0.78 114.38 118.30 3hwc h ARG 438 Ca -0.00 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.85 3hwc h ARG 438 Cb 0.45 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.36 3hwc h ARG 438 CO 0.03 0.15 0.00 -0.56 -3.11 0.00 0.00 179.97 176.48 3hwc h GLN 439 N 0.23 0.00 0.08 0.20 3.07 -1.60 -2.11 115.11 114.97 3hwc h GLN 439 Ca 0.43 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.92 3hwc h GLN 439 Cb 1.31 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.86 3hwc h GLN 439 CO -0.10 0.00 -1.14 0.74 0.09 0.00 0.00 178.83 178.42 3hwc h PHE 440 N 0.00 0.29 0.00 0.06 0.05 -1.32 -3.42 116.94 112.60 3hwc h PHE 440 Ca 0.00 -0.21 -0.31 0.00 3.82 0.00 0.00 57.97 61.26 3hwc h PHE 440 Cb 0.24 -0.01 -0.06 0.00 2.00 0.00 0.00 35.95 38.12 3hwc h PHE 440 CO 0.00 1.16 -2.18 -1.33 -0.18 0.00 0.00 178.31 175.79 3hwc n MET 441 N -3.46 1.03 0.20 1.51 2.81 -0.82 -4.31 117.12 114.07 3hwc n MET 441 Ca -0.05 0.03 0.14 0.00 -1.81 0.00 0.00 57.70 56.02 3hwc n MET 441 Cb 0.99 -1.43 0.66 0.00 -0.71 0.00 0.00 33.22 32.73 3hwc n MET 441 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3hwc h PHE 442 N 0.00 0.00 0.00 2.03 -0.00 -1.73 -1.76 116.94 115.48 3hwc h PHE 442 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.51 3hwc h PHE 442 Cb 1.94 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.89 3hwc h PHE 442 CO 0.01 0.00 0.00 0.39 -0.00 0.00 0.00 178.31 178.71 3hwc n GLU 443 N -2.51 0.53 -2.69 6.09 1.02 -1.26 -4.70 120.64 117.12 3hwc n GLU 443 Ca -0.00 -0.85 -0.05 0.00 -0.02 0.00 0.00 57.16 56.25 3hwc n GLU 443 Cb 0.15 -0.97 0.04 0.00 -0.02 0.00 0.00 31.44 30.65 3hwc n GLU 443 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3hwc n ASN 444 N -0.18 2.14 -0.15 1.62 5.15 -0.71 -4.89 115.26 118.24 3hwc n ASN 444 Ca 0.00 -2.35 0.15 0.00 -0.60 0.00 0.00 54.58 51.77 3hwc n ASN 444 Cb 0.12 -0.46 0.79 0.00 -0.53 0.00 0.00 39.78 39.69 3hwc n ASN 444 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 3hwc n PHE 445 N -0.59 0.01 -2.51 1.20 -1.74 -0.94 -4.82 117.46 108.07 3hwc n PHE 445 Ca 0.13 -0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.02 3hwc n PHE 445 Cb 0.83 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.83 3hwc n PHE 445 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 3hwc n ASN 446 N -0.62 0.90 -4.46 5.98 5.03 -1.26 -5.10 115.26 115.73 3hwc n ASN 446 Ca 0.22 -0.06 -0.43 0.00 0.87 0.00 0.00 54.58 55.17 3hwc n ASN 446 Cb 0.18 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 38.84 3hwc n ASN 446 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3hwc s GLY 447 N -0.62 1.99 -0.12 7.41 0.00 -1.26 -4.84 107.32 109.89 3hwc s GLY 447 Ca 0.00 -1.71 -0.06 0.00 0.00 0.00 0.00 44.72 42.95 3hwc s GLY 447 CO 0.00 0.97 0.12 2.41 0.00 0.00 0.00 173.10 176.60 3hwc n THR 448 N 5.21 -8.46 -0.26 0.90 -1.04 -1.26 -4.53 114.28 104.83 3hwc n THR 448 Ca -0.10 1.49 -0.04 0.00 -2.04 0.00 0.00 64.05 63.36 3hwc n THR 448 Cb 0.47 -5.30 0.07 0.00 -1.82 0.00 0.00 70.33 63.74 3hwc n THR 448 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3hwc h PRO 449 N 2.20 0.92 0.48 -2.82 0.11 -1.93 -1.83 132.00 129.14 3hwc h PRO 449 Ca -0.27 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 3hwc h PRO 449 Cb 0.61 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.52 3hwc h PRO 449 CO 0.01 0.61 -0.23 1.25 -0.21 0.00 0.00 178.00 179.43 3hwc h LEU 450 N 0.95 -0.55 -0.53 2.35 5.85 -1.91 -1.27 115.31 120.20 3hwc h LEU 450 Ca 0.27 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.91 3hwc h LEU 450 Cb -0.08 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3hwc h LEU 450 CO -0.07 -0.37 0.00 0.15 -0.34 0.00 0.00 178.44 177.81 3hwc h PHE 451 N -0.69 1.02 -0.51 1.25 3.04 -1.88 -0.71 116.94 118.45 3hwc h PHE 451 Ca -0.07 -0.18 0.09 0.00 3.98 0.00 0.00 57.97 61.80 3hwc h PHE 451 Cb 0.52 -0.27 -0.08 0.00 2.56 0.00 0.00 35.95 38.69 3hwc h PHE 451 CO -0.03 0.93 0.07 0.00 -2.02 0.00 0.00 178.31 177.26 3hwc h ALA 452 N 0.95 0.55 -0.67 2.41 0.00 -1.26 0.70 119.26 121.94 3hwc h ALA 452 Ca 0.15 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3hwc h ALA 452 Cb 0.53 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3hwc h ALA 452 CO 0.03 -0.34 0.16 0.28 0.00 0.00 0.00 179.25 179.38 3hwc h VAL 453 N 0.19 1.25 -0.31 0.00 2.07 -0.95 -1.77 116.25 116.72 3hwc h VAL 453 Ca 0.26 -0.94 -0.08 0.00 0.82 0.00 0.00 66.70 66.77 3hwc h VAL 453 Cb 0.37 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3hwc h VAL 453 CO -0.37 0.36 -0.10 0.15 0.02 0.00 0.00 177.57 177.62 3hwc h PHE 454 N 1.00 0.71 -0.62 1.57 3.57 0.36 -1.81 116.94 121.72 3hwc h PHE 454 Ca 0.21 -0.16 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 3hwc h PHE 454 Cb 0.35 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 3hwc h PHE 454 CO 0.03 0.82 0.26 0.00 -2.23 0.00 0.00 178.31 177.18 3hwc h ALA 455 N 0.78 1.28 -0.36 2.41 0.00 0.42 -2.40 119.26 121.40 3hwc h ALA 455 Ca 0.08 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3hwc h ALA 455 Cb 0.61 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3hwc h ALA 455 CO 0.04 0.53 -0.34 0.00 0.00 0.00 0.00 179.25 179.48 3hwc h ALA 456 N 1.39 0.72 -0.33 0.00 0.00 -1.19 -3.20 119.26 116.66 3hwc h ALA 456 Ca 0.21 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 3hwc h ALA 456 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3hwc h ALA 456 CO -0.02 0.66 -0.31 1.79 0.00 0.00 0.00 179.25 181.37 3hwc h THR 457 N 0.67 1.28 0.00 0.00 1.35 -1.04 -2.84 112.91 112.34 3hwc h THR 457 Ca 0.07 -1.45 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 3hwc h THR 457 Cb 0.90 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 3hwc h THR 457 CO 0.08 0.47 0.00 1.15 -0.25 0.00 0.00 175.52 176.97 3hwc n MET 458 N -4.07 0.24 0.00 4.72 0.00 -0.93 0.58 117.12 117.66 3hwc n MET 458 Ca -0.01 0.09 0.13 0.00 0.00 0.00 0.00 57.70 57.91 3hwc n MET 458 Cb 0.48 -1.50 0.35 0.00 0.00 0.00 0.00 33.22 32.55 3hwc n MET 458 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 3hwc n THR 459 N -1.33 0.00 -0.01 3.17 -2.24 -1.08 -4.30 114.28 108.49 3hwc n THR 459 Ca 0.09 -0.18 -0.01 0.00 -2.27 0.00 0.00 64.05 61.68 3hwc n THR 459 Cb 0.19 0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 68.94 3hwc n THR 459 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hwc n ARG 460 N -0.37 3.52 -4.12 -0.78 1.74 0.55 -4.98 116.66 112.22 3hwc n ARG 460 Ca 0.13 -0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.09 3hwc n ARG 460 Cb 0.37 -1.06 -0.07 0.00 -1.02 0.00 0.00 32.46 30.68 3hwc n ARG 460 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 3hwc s ASP 461 N -3.32 0.41 -0.53 0.55 1.47 0.20 -5.11 116.67 110.34 3hwc s ASP 461 Ca -0.01 -1.31 -0.24 0.00 1.18 0.00 0.00 52.55 52.17 3hwc s ASP 461 Cb 0.01 0.53 0.04 0.00 -0.34 0.00 0.00 42.92 43.15 3hwc s ASP 461 CO 0.10 -1.06 0.91 -0.62 0.68 0.00 0.00 175.17 175.18 3hwc s ASP 462 N -3.16 6.36 -0.33 2.11 -1.08 -1.26 -4.05 116.67 115.26 3hwc s ASP 462 Ca 0.32 -0.29 0.09 0.00 -0.52 0.00 0.00 52.55 52.16 3hwc s ASP 462 Cb 0.03 -2.43 0.72 0.00 -1.46 0.00 0.00 42.92 39.78 3hwc s ASP 462 CO 0.15 -1.15 1.80 0.23 0.52 0.00 0.00 175.17 176.71 3hwc n MET 463 N 7.27 3.42 -2.33 4.34 2.81 -1.26 -4.15 117.12 127.23 3hwc n MET 463 Ca 0.02 -3.08 -0.12 0.00 -1.81 0.00 0.00 57.70 52.71 3hwc n MET 463 Cb 0.48 -2.18 0.03 0.00 -0.71 0.00 0.00 33.22 30.83 3hwc n MET 463 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3hwc n SER 464 N -0.35 1.44 0.25 7.83 3.41 -1.26 -4.95 113.62 120.00 3hwc n SER 464 Ca 0.42 -1.92 0.17 0.00 -0.26 0.00 0.00 58.87 57.28 3hwc n SER 464 Cb 1.40 -0.17 0.76 0.00 -0.26 0.00 0.00 64.21 65.94 3hwc n SER 464 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwc h ALA 465 N 0.42 1.00 0.00 7.33 0.00 -1.96 -1.11 119.26 124.94 3hwc h ALA 465 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hwc h ALA 465 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3hwc h ALA 465 CO 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 179.25 179.16 3hwc n ALA 466 N -2.00 2.74 -1.89 0.00 0.00 -1.26 -4.06 120.51 114.04 3hwc n ALA 466 Ca -0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 3hwc n ALA 466 Cb 0.22 -1.29 0.08 0.00 0.00 0.00 0.00 19.45 18.45 3hwc n ALA 466 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hwc n GLY 467 N 1.38 -0.39 0.31 0.00 0.00 -0.42 -4.92 105.19 101.15 3hwc n GLY 467 Ca 0.05 -1.83 0.16 0.00 0.00 0.00 0.00 46.02 44.40 3hwc n GLY 467 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hwc h THR 468 N -0.97 0.45 0.00 2.61 1.35 -1.81 -2.09 112.91 112.45 3hwc h THR 468 Ca -0.19 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 3hwc h THR 468 Cb 0.58 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 3hwc h THR 468 CO 0.16 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.21 3hwc n TYR 469 N -3.74 0.39 0.17 4.73 4.02 -1.26 -3.55 117.16 117.92 3hwc n TYR 469 Ca -0.02 0.11 0.12 0.00 -0.01 0.00 0.00 57.90 58.10 3hwc n TYR 469 Cb 0.12 -0.68 0.03 0.00 -0.02 0.00 0.00 39.34 38.78 3hwc n TYR 469 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3hwc h GLY 470 N 4.78 0.00 0.88 2.72 0.00 -1.52 -3.40 103.07 106.53 3hwc h GLY 470 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3hwc h GLY 470 CO 0.00 0.00 -0.11 1.70 0.00 0.00 0.00 176.54 178.13 3hwc h LYS 471 N 0.00 -0.30 -0.27 4.80 3.64 -1.69 -0.29 116.57 122.46 3hwc h LYS 471 Ca 0.00 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 3hwc h LYS 471 Cb 0.97 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 3hwc h LYS 471 CO 0.00 -0.11 -0.15 0.35 -2.27 0.00 0.00 179.45 177.26 3hwc h PHE 472 N -0.43 0.67 -0.51 1.91 -0.00 -1.80 -2.14 116.94 114.63 3hwc h PHE 472 Ca -0.03 -0.17 -0.11 0.00 -0.00 0.00 0.00 57.97 57.65 3hwc h PHE 472 Cb 0.33 -0.15 -0.02 0.00 -0.00 0.00 0.00 35.95 36.11 3hwc h PHE 472 CO -0.03 0.84 -0.12 0.00 -0.00 0.00 0.00 178.31 179.01 3hwc h ALA 473 N 0.73 0.70 0.13 2.41 0.00 -1.76 -1.90 119.26 119.56 3hwc h ALA 473 Ca 0.06 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.63 3hwc h ALA 473 Cb 0.68 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3hwc h ALA 473 CO 0.04 0.62 -0.21 0.77 0.00 0.00 0.00 179.25 180.47 3hwc h SER 474 N 0.84 -0.58 -0.32 0.00 0.02 -1.03 -0.40 113.55 112.09 3hwc h SER 474 Ca 0.13 0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.22 3hwc h SER 474 Cb 0.68 0.21 -0.07 0.00 0.14 0.00 0.00 62.40 63.36 3hwc h SER 474 CO 0.05 -0.30 -0.17 -0.61 -1.14 0.00 0.00 176.83 174.67 3hwc h GLN 475 N -0.40 -0.12 -0.13 3.45 4.15 -1.32 0.49 115.11 121.22 3hwc h GLN 475 Ca 0.02 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 3hwc h GLN 475 Cb 0.41 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 3hwc h GLN 475 CO -0.10 -0.08 0.01 0.28 -1.93 0.00 0.00 178.83 177.01 3hwc h VAL 476 N -0.12 1.08 -0.01 2.39 2.07 -1.00 -1.70 116.25 118.95 3hwc h VAL 476 Ca 0.16 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3hwc h VAL 476 Cb 0.37 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3hwc h VAL 476 CO -0.39 0.10 -0.05 0.00 0.02 0.00 0.00 177.57 177.25 3hwc n GLY 478 N 1.21 0.04 3.60 0.00 0.00 -0.52 -5.03 105.19 104.50 3hwc n GLY 478 Ca 0.18 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 3hwc n GLY 478 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hwc s ILE 479 N -2.56 3.97 0.34 -0.61 1.01 0.05 -5.02 121.20 118.37 3hwc s ILE 479 Ca 0.04 -0.37 -0.29 0.00 0.00 0.00 0.00 60.65 60.03 3hwc s ILE 479 Cb -0.02 -2.66 -0.10 0.00 0.01 0.00 0.00 42.46 39.69 3hwc s ILE 479 CO 0.05 0.58 1.35 -0.70 0.00 0.00 0.00 174.94 176.23 3hwc s GLU 480 N -0.62 4.30 -0.09 2.79 2.12 -1.26 -3.96 118.70 121.98 3hwc s GLU 480 Ca 0.10 2.30 0.04 0.00 0.36 0.00 0.00 54.97 57.76 3hwc s GLU 480 Cb -0.12 -3.05 -0.01 0.00 0.26 0.00 0.00 34.13 31.21 3hwc s GLU 480 CO 0.02 -0.28 -0.21 0.12 -0.54 0.00 0.00 175.26 174.37 3hwc s PHE 481 N -1.05 2.59 0.00 5.30 5.36 -1.26 -5.00 117.98 123.91 3hwc s PHE 481 Ca 0.50 -0.82 0.00 0.00 -0.96 0.00 0.00 56.93 55.66 3hwc s PHE 481 Cb -0.41 -1.70 0.00 0.00 -0.34 0.00 0.00 43.02 40.56 3hwc s PHE 481 CO 0.54 -0.28 0.00 0.41 -1.46 0.00 0.00 175.22 174.43