NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3106 8.2649 123.5821 52.0751 19.5409 179.5278 2 D 4.6624 9.1507 116.2537 53.2906 42.5049 174.0445 3 L 4.8580 8.2769 121.2178 53.4264 46.5612 175.3702 4 T 4.6562 8.1421 114.1884 60.8869 70.6423 172.2649 5 A 4.6771 8.0786 126.2660 51.4137 22.0703 175.4343 6 S 4.7074 8.0763 112.6948 57.6712 66.0393 173.2302 7 T 4.5202 7.9517 113.7534 61.2469 69.7930 172.6809 8 T 4.5584 8.4014 116.1352 59.8942 70.5980 173.4405 9 R 4.7679 8.4628 123.9920 54.3449 33.8204 174.7688 10 T 4.6234 8.2671 114.5976 61.7129 71.7160 173.5786 11 A 4.7689 8.4688 127.2166 50.5396 21.6241 175.6918 12 T 4.5408 8.3930 117.5664 61.7387 70.2941 174.0359 13 L 4.7845 8.3891 126.1406 52.9024 44.1254 176.2066 14 V 4.4458 8.1203 114.5039 59.5562 34.4333 175.0207 15 E 4.5107 8.4807 122.2508 53.9271 30.4888 174.6394 16 P 4.3782 0.0000 0.0000 62.1942 32.4365 175.5988 17 A 4.4789 8.2799 121.5277 50.9198 18.7217 176.1730 18 R 4.7215 8.3451 120.8823 55.4420 32.0075 176.3570 19 I 5.0195 8.3506 123.6209 59.7651 40.9147 174.6199 20 T 4.8494 8.8631 115.3794 60.0341 72.7767 172.4685 21 L 5.1608 8.3673 123.0333 54.1345 45.3370 174.8331 22 T 4.7891 9.2573 123.0378 61.8690 71.8413 172.3642 23 Y 5.2477 8.6849 126.2965 55.6575 42.0796 173.7451 24 K 4.4845 8.4180 128.5382 54.1006 34.2442 174.8695 25 E 3.9437 8.6479 128.9294 56.7967 30.4077 176.8685 26 G 4.1588 8.1558 112.5580 44.7625 0.0000 173.2455 27 A 4.3536 8.4362 122.3023 50.7371 19.0982 175.9536 28 P 4.3614 0.0000 0.0000 63.0050 31.8310 175.8206 29 I 4.2469 8.0044 120.5945 59.7501 38.3715 175.5585 30 T 4.2883 8.1709 116.0558 60.5377 69.9912 174.3765 31 I 3.9135 8.0470 125.6483 61.0933 38.0583 176.0045 32 M 4.3617 8.7561 127.8979 54.4642 33.4060 177.4385 *33 D 4.3961 8.7608 118.4585 56.6244 39.5758 175.2437 34 N 4.6138 8.0388 113.6668 52.7440 37.8035 175.7377 35 G 3.9616 8.3128 108.1835 45.3684 0.0000 173.7366 36 N 4.6473 7.9856 117.8618 52.3365 39.6500 174.5144 37 I 4.3638 7.6721 113.6428 59.4410 39.4326 175.0910 38 D 4.4520 8.1094 120.8615 54.1508 41.8729 175.7157 39 T 4.2400 8.0828 118.4086 62.0207 68.5829 174.0007 40 E 3.8546 8.8927 123.3438 57.0817 27.8876 174.9879 41 L 4.0922 7.4671 118.9111 54.7358 42.9991 176.6300 42 L 4.4394 8.3757 124.8697 54.6838 41.5989 176.4856 43 V 3.7584 9.3810 128.6824 65.5093 32.7711 175.6915 44 G 4.4825 7.4939 104.5926 46.8365 0.0000 171.9473 45 T 5.1550 8.1508 116.2360 61.5986 71.6824 173.4425 46 L 5.3048 9.2503 126.9355 53.4953 44.2602 175.5663 47 T 4.9076 9.1290 120.9261 61.7699 71.1184 172.8407 48 L 5.0418 9.0048 129.7145 54.1261 44.2437 175.7962 49 G 4.1397 8.9336 111.8736 45.5654 0.0000 172.7924 50 G 4.0004 8.7727 107.4103 45.5562 0.0000 173.8469 51 Y 4.3447 6.7732 116.3910 56.1140 39.1118 175.1438 52 K 4.1782 8.5543 122.2447 55.9828 33.0547 176.4188 53 T 4.1808 8.5667 122.2212 65.3796 68.6956 173.7523 54 G 4.1127 9.2568 113.3965 45.9359 0.0000 174.4137 55 T 3.8610 8.0989 117.8312 64.0772 68.9578 173.5433 56 T 5.0260 8.0415 114.9195 59.4931 71.5225 175.4690 57 S 4.2753 8.8036 117.1668 61.2723 63.2723 176.6812 58 T 4.0078 7.9108 110.4851 63.7969 68.9018 175.3940 59 S 4.3151 7.8384 115.9943 58.8150 63.6695 173.1042 60 V 4.6830 7.5638 122.7325 61.2438 33.8146 173.7685 61 N 5.2748 9.0445 126.3308 52.0012 42.1624 172.6941 62 F 5.1812 9.2441 126.3350 56.4515 40.6900 175.3009 63 T 5.2942 9.0697 114.1610 60.0851 72.4306 172.4603 64 D 5.1529 8.8057 121.1957 51.9658 42.5479 175.1045 65 A 4.0323 8.6618 120.4435 55.1983 17.2909 178.9588 66 A 3.9674 8.0494 118.6529 53.3607 18.6316 178.5831 67 G 4.0121 8.2089 102.3552 46.4076 0.0000 173.0325 68 D 4.4502 7.4891 120.2230 52.6825 41.2566 174.0077 69 P 4.5076 0.0000 0.0000 64.5401 31.6490 176.7438 70 M 3.2202 9.0893 122.2797 55.1753 30.6390 176.1016 71 Y 5.1812 7.3734 115.0493 56.1353 42.3041 174.6345 72 L 4.7652 8.8413 122.3133 53.6978 43.9676 175.5113 73 T 4.9870 8.7544 120.7136 61.9073 70.4146 173.8501 74 F 4.6335 8.6850 125.5317 55.9886 41.5808 175.0195 75 T 5.3584 8.6676 119.3701 61.3505 71.9658 174.0143 76 S 3.8523 8.8994 121.1280 58.3529 63.7433 174.0540 77 Q 4.4848 8.0347 118.4797 55.8602 28.5620 176.2102 78 D 4.6817 8.1591 115.6884 52.9191 40.0014 176.9989 79 G 3.9721 8.2855 108.8541 45.7025 0.0000 174.1127 80 N 4.4667 8.0514 115.1536 52.9413 39.0315 174.3408 81 N 4.1406 8.0142 115.3789 54.6351 37.5504 173.5474 82 H 4.6019 7.9344 113.4777 55.8417 29.9553 175.3723 83 Q 5.4965 8.9035 121.0873 54.1984 32.6499 174.2839 84 F 5.3669 8.9105 116.3150 55.4664 42.0532 173.5025 85 T 5.3326 9.0250 109.7242 60.3890 72.0423 172.9185 86 T 5.4227 8.9887 111.8236 60.1927 73.0242 172.4354 87 K 5.0657 9.1118 120.6178 55.0675 36.4474 175.2004 88 V 4.8148 8.2995 120.5765 61.2027 33.2956 174.4791 89 I 5.0446 8.9125 121.2200 59.6347 41.6877 174.9179 90 G 4.2904 9.5513 109.1967 45.4800 0.0000 170.8665 91 K 5.3492 8.7047 118.3317 54.7364 35.1159 176.8892 92 D 4.7852 9.1315 124.2403 52.2002 41.6780 176.9545 93 S 4.0687 8.6564 114.9946 62.1912 63.1165 175.6973 94 R 3.9132 7.9066 116.6782 55.8852 29.1329 179.7531 95 D 4.5272 7.9170 115.6086 55.7957 40.4440 173.8094 96 F 4.9368 7.6315 116.1962 56.6615 39.7731 174.7169 97 D 5.2011 8.7405 123.7953 54.7372 41.5307 175.5230 98 I 5.0360 9.2421 115.8309 59.6502 41.8625 173.7707 99 S 5.0970 8.4261 115.4441 56.3572 65.8039 172.0939 100 P 4.8185 0.0000 0.0000 61.8147 32.9879 175.5748 101 K 4.3354 8.5905 119.4119 56.4920 33.3410 176.7964 102 V 4.6406 8.4910 123.4319 61.5805 34.5253 175.3274 103 N 4.2368 10.4123 127.0239 54.2938 36.6478 175.4433 104 G 4.0043 9.4235 105.5688 45.2875 0.0000 173.8618 105 E 4.6294 7.4375 117.8144 54.2934 33.5845 173.7955 106 N 4.7468 8.5174 120.3899 52.7421 39.6676 174.9090 107 L 4.1226 8.5025 128.2712 57.4275 42.6506 177.2072 108 V 4.3404 7.7852 116.1186 61.2257 34.2595 175.2100 109 G 3.9229 8.8905 110.5214 45.9124 0.0000 172.9791 *110 D 4.6767 8.1084 117.8465 51.6420 40.8157 174.5889 111 D 4.5347 8.4321 117.1259 56.1208 41.6921 175.6646 112 V 4.6605 8.4832 118.0485 59.3468 36.7465 174.6704 113 V 4.1080 8.3413 122.7944 62.6705 31.8223 175.9622 114 L 4.3617 8.5741 128.2226 54.4365 42.2118 177.1963 115 A 4.1192 8.7944 124.9575 52.5754 18.9323 178.0911 116 T 3.9442 8.2855 117.9517 65.0276 69.0839 173.8189 117 G 4.0666 10.1903 120.3377 44.6912 0.0000 172.9255 118 S 4.8270 7.0743 112.6927 56.5237 66.3309 172.5855 119 Q 4.4535 9.1942 121.5765 54.4938 32.1953 173.4714 120 D 4.9851 8.4589 125.7961 53.3533 42.3776 175.7641 121 F 4.8912 9.1515 121.0960 55.6064 43.1203 173.8981 122 F 5.1975 9.0721 121.2088 55.8638 41.5079 174.9775 123 V 4.6234 9.0820 124.6150 62.1429 32.6373 174.7616 124 R 5.9546 9.1775 127.4946 53.2626 33.4000 175.8218 125 S 4.2671 8.6968 117.4309 59.0479 63.9903 172.8544 126 I 4.2276 8.6582 121.1634 60.4594 38.2321 177.8584 127 G 4.0359 6.9595 106.6366 46.6293 0.0000 170.0360 128 S 5.1949 8.5902 114.2502 56.4551 64.3171 174.7390 129 K 4.1322 8.9364 124.3251 58.1969 32.5158 178.0358 130 G 3.5522 8.1664 107.1865 46.5678 0.0000 174.8914 131 G 3.7551 7.7210 108.3894 45.2667 0.0000 172.7269 132 K 3.7874 8.5692 114.2518 57.2540 29.3725 175.9002 133 L 4.1021 7.5913 117.2437 54.7662 42.5400 177.8610 134 A 4.2875 8.2702 126.2683 51.0347 19.5421 176.8848 135 A 4.2164 8.4328 123.0406 51.7420 19.1660 178.7519 136 G 3.9253 8.0122 109.0104 45.6664 0.0000 171.8575 137 K 4.8032 8.0371 122.9131 53.8441 33.8250 170.9044 138 Y 5.3400 9.0081 122.5614 55.5247 41.0685 175.0680 139 T 5.0333 8.9378 112.5334 60.3295 72.7633 172.0855 140 D 4.7880 8.4346 119.9566 52.7551 44.5962 174.3903 141 A 4.4728 8.3781 125.8849 50.3667 20.5536 175.5198 142 V 4.5610 8.2197 122.4489 62.0172 33.6527 174.9487 143 T 4.3824 8.7902 125.2487 62.4244 70.2152 173.8156 144 V 4.1159 8.2354 126.5113 61.5687 32.9169 174.7336 145 T 4.4647 8.6576 125.9128 61.7831 70.6507 173.6192 146 V 4.5776 8.3188 126.5606 61.3254 33.4207 175.2962 147 S 4.6079 8.8979 125.7598 56.7894 62.8260 173.7193 148 N 4.4468 8.5248 122.5885 52.7856 39.0929 175.7370 149 Q 4.1719 8.7166 120.4801 56.4327 28.7446 176.4160 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.26 4.31 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 D 9.15 4.66 0.00 2.76 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.28 4.86 0.00 1.56 1.50 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.14 4.66 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 5 A 8.08 4.68 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.08 4.71 0.00 3.93 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.95 4.52 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 8 T 8.40 4.56 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 9 R 8.46 4.77 0.00 1.77 1.84 0.00 3.31 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 10 T 8.27 4.62 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 11 A 8.47 4.77 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.39 4.54 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 13 L 8.39 4.78 0.00 1.61 1.56 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.12 4.45 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 15 E 8.48 4.51 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 16 P 0.00 4.38 0.00 2.16 2.07 0.00 3.48 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 17 A 8.28 4.48 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.35 4.72 0.00 1.83 1.85 0.00 3.13 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 19 I 8.35 5.02 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.89 0.95 0.00 0.00 20 T 8.86 4.85 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 21 L 8.37 5.16 0.00 1.66 1.58 1.14 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 22 T 9.26 4.79 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 23 Y 8.68 5.25 0.00 3.05 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.42 4.48 0.00 1.74 1.51 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.23 1.27 7.81 25 E 8.65 3.94 0.00 1.99 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 26 G 8.16 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.44 4.35 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.36 0.00 2.18 2.08 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 29 I 8.00 4.25 1.69 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.52 0.64 0.00 0.00 30 T 8.17 4.29 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 31 I 8.05 3.91 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.48 0.91 0.00 0.00 32 M 8.76 4.36 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.43 0.00 *33 D 8.76 4.40 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.04 4.61 0.00 2.79 2.94 0.00 0.00 6.31 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.31 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.99 4.65 0.00 2.77 2.68 0.00 0.00 6.61 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.67 4.36 1.61 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.34 0.63 0.00 0.00 38 D 8.11 4.45 0.00 2.57 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.08 4.24 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 40 E 8.89 3.85 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 41 L 7.47 4.09 0.00 1.57 1.52 0.81 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.38 4.44 0.00 1.63 1.62 1.12 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 43 V 9.38 3.76 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.95 0.00 0.00 44 G 7.49 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.15 5.15 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 46 L 9.25 5.30 0.00 1.85 1.87 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 47 T 9.13 4.91 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 48 L 9.00 5.04 0.00 2.07 1.80 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.93 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.77 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 6.77 4.34 0.00 3.09 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.55 4.18 0.00 1.86 1.79 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.49 7.81 53 T 8.57 4.18 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 54 G 9.26 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.10 3.86 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 56 T 8.04 5.03 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 57 S 8.80 4.28 0.00 4.27 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.91 4.01 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 59 S 7.84 4.32 0.00 4.17 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.56 4.68 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.90 0.00 0.00 61 N 9.04 5.27 0.00 2.75 2.52 0.00 0.00 6.74 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 9.24 5.18 0.00 2.93 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 9.07 5.29 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 64 D 8.81 5.15 0.00 2.63 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.66 4.03 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.05 3.97 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.21 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 7.49 4.45 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.51 0.00 2.04 1.94 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 70 M 9.09 3.22 0.00 1.49 1.34 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 71 Y 7.37 5.18 0.00 2.85 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.84 4.77 0.00 1.70 1.63 0.86 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.75 4.99 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 74 F 8.69 4.63 0.00 1.54 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.67 5.36 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 76 S 8.90 3.85 0.00 3.62 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.03 4.48 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 78 D 8.16 4.68 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.29 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.05 4.47 0.00 2.91 2.78 0.00 0.00 6.92 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 N 8.01 4.14 0.00 2.80 2.81 0.00 0.00 7.07 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.93 4.60 0.00 3.38 3.52 0.00 5.80 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.90 5.50 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 84 F 8.91 5.37 0.00 3.25 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 9.03 5.33 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 86 T 8.99 5.42 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 87 K 9.11 5.07 0.00 1.89 2.13 0.00 1.33 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.43 7.81 88 V 8.30 4.81 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.58 0.00 0.00 89 I 8.91 5.04 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.30 0.98 0.00 0.00 90 G 9.55 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.70 5.35 0.00 1.69 1.73 0.00 1.95 0.00 0.00 1.85 0.00 0.00 2.79 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.37 7.81 92 D 9.13 4.79 0.00 2.89 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.66 4.07 0.00 3.98 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 7.91 3.91 0.00 1.85 1.86 0.00 3.36 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.18 0.00 95 D 7.92 4.53 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 F 7.63 4.94 0.00 3.49 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.74 5.20 0.00 2.64 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 9.24 5.04 2.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.13 1.02 0.00 0.00 99 S 8.43 5.10 0.00 3.89 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.82 0.00 2.08 1.67 0.00 3.78 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.07 0.00 101 K 8.59 4.34 0.00 1.93 1.85 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.37 7.81 102 V 8.49 4.64 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.80 0.00 0.00 103 N 10.41 4.24 0.00 2.89 2.82 0.00 0.00 7.27 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 9.42 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.44 4.63 0.00 1.85 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.17 0.00 106 N 8.52 4.75 0.00 2.63 2.70 0.00 0.00 6.99 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.50 4.12 0.00 1.48 1.63 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.79 4.34 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.96 0.00 0.00 109 G 8.89 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *110 D 8.11 4.68 0.00 2.71 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.43 4.53 0.00 2.62 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.48 4.66 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.99 0.00 0.00 113 V 8.34 4.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.94 0.00 0.00 114 L 8.57 4.36 0.00 1.33 1.45 0.46 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.79 4.12 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.29 3.94 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 117 G 10.19 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 7.07 4.83 0.00 3.93 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 9.19 4.45 0.00 2.12 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.93 0.00 0.00 0.00 0.00 0.00 1.49 1.30 0.00 120 D 8.46 4.99 0.00 2.39 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 9.15 4.89 0.00 2.88 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 F 9.07 5.20 0.00 3.11 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 9.08 4.62 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.03 0.00 0.00 124 R 9.18 5.95 0.00 1.80 1.82 0.00 3.59 0.00 0.00 3.46 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 125 S 8.70 4.27 0.00 3.79 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 8.66 4.23 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.71 0.82 0.00 0.00 127 G 6.96 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 S 8.59 5.19 0.00 4.05 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.94 4.13 0.00 1.71 1.86 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.42 7.81 130 G 8.17 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.72 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.57 3.79 0.00 1.89 1.84 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.46 7.81 133 L 7.59 4.10 0.00 1.60 1.62 0.65 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.27 4.29 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.43 4.22 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.01 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 8.04 4.80 0.00 1.45 1.69 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.02 7.81 138 Y 9.01 5.34 0.00 3.01 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 T 8.94 5.03 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 140 D 8.43 4.79 0.00 1.58 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.38 4.47 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.22 4.56 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.85 0.00 0.00 143 T 8.79 4.38 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 144 V 8.24 4.12 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.68 0.00 0.00 145 T 8.66 4.46 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 146 V 8.32 4.58 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.86 0.00 0.00 147 S 8.90 4.61 0.00 3.72 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 8.52 4.45 0.00 2.72 2.77 0.00 0.00 7.18 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 8.72 4.17 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.