NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.1567 8.3449 121.7114 55.2342 30.9023 174.5115 2 I 3.5441 7.6934 117.7789 61.4639 37.7096 170.5400 3 V 3.8839 9.1256 130.1030 62.2727 32.6924 175.2064 4 L 4.6424 8.4736 127.9551 55.2134 43.2461 177.3167 5 T 4.3559 8.0371 116.4467 62.8653 72.0756 173.1269 6 Q 4.3693 9.0946 127.6609 57.6765 29.1778 175.4000 7 S 4.4180 12.0000 119.6818 59.5685 62.9109 174.7567 8 P 4.4162 0.0000 0.0000 63.5001 32.5470 176.7235 9 A 4.3358 8.5431 119.9451 52.2258 19.4640 177.3838 10 I 4.6640 6.6387 118.6155 61.4199 41.3870 173.0401 11 M 4.8845 7.3822 120.4000 54.4027 30.2846 178.5565 12 S 4.7751 8.2813 107.1374 57.6803 65.2587 174.4068 13 A 5.5852 9.4493 127.5901 48.9451 21.9885 175.4151 14 F 4.5944 9.1952 121.6966 56.7277 40.1044 173.4014 15 P 4.4267 0.0000 0.0000 64.6376 31.1626 175.1441 16 G 4.1594 9.6120 114.6900 46.0818 0.0000 174.2895 17 E 4.0088 8.6745 121.0043 56.4429 30.3621 176.8394 18 K 4.6244 8.7093 126.7138 56.3113 33.4314 176.1273 19 V 4.4515 8.3090 119.9876 60.1142 34.0516 174.9194 20 T 5.0212 8.3616 120.6938 62.0751 71.9701 173.2686 21 I 4.6304 8.2094 126.3330 60.0861 41.0313 174.1407 22 T 5.2196 8.2941 115.5040 61.4691 70.9490 171.3633 23 C 5.4219 9.5291 126.8489 57.8481 34.5999 173.0228 24 S 5.5851 9.1872 119.5441 55.3735 62.9572 173.4364 25 A 4.8418 8.7071 128.3807 51.8255 18.9713 176.8569 26 T 3.8254 8.7092 109.2553 64.7441 68.3761 177.0803 27 S 4.3561 7.5014 121.0501 56.7011 65.2670 173.0671 *29 S 5.1842 8.3545 118.0132 59.8180 63.1176 173.1084 30 V 4.2475 8.2489 125.3114 61.0775 32.7843 175.2248 31 N 4.2761 8.5663 124.9226 55.0653 38.9205 174.9079 32 Y 4.6865 7.2337 114.3595 56.3887 41.5630 175.1342 33 M 3.9917 8.7015 125.2955 55.0855 33.4297 175.1200 34 H 5.4947 8.9777 122.2552 53.9745 31.5122 173.5441 35 W 5.2785 10.2906 125.5231 55.3229 31.0230 175.5191 36 F 5.4994 10.6358 124.5300 56.0682 41.8074 174.5773 37 Q 4.4605 8.8962 121.0708 54.7169 33.3110 174.2931 38 Q 4.5452 8.4144 123.3070 54.5191 32.7742 174.3149 39 K 4.3234 8.4199 125.3173 54.5997 32.9790 175.5495 40 P 4.4613 0.0000 0.0000 63.9191 31.8134 176.7201 41 G 3.9510 9.4628 107.7983 45.6897 0.0000 173.0914 42 T 4.7346 6.9369 104.8742 59.2476 71.9720 173.8760 43 S 4.3339 8.4475 118.6375 57.5013 63.5375 172.7324 44 P 4.7244 0.0000 0.0000 63.3922 32.0404 175.7241 45 K 4.4331 9.2633 120.6411 54.2117 36.7575 174.0301 46 L 3.3115 8.1711 126.9805 55.4637 41.8713 176.1573 47 W 4.7437 9.7341 135.0000 58.6994 31.7040 175.3802 48 I 5.5566 8.1893 119.4719 58.7268 40.2569 174.4413 49 Y 5.0433 8.0111 125.0366 55.8973 40.0136 175.1680 50 S 3.5862 9.5821 109.5001 60.9944 59.5390 171.5326 51 S 4.4561 9.7954 123.9021 59.5518 62.2076 173.6615 52 S 4.6272 7.8805 108.7752 57.6268 64.1068 172.8854 53 N 4.3377 8.2800 120.4746 51.8218 38.7210 174.0150 54 L 4.0598 8.2262 123.4564 54.9165 41.8487 177.1350 55 A 4.7156 8.5012 128.3760 52.1639 18.9869 175.4340 56 S 4.3792 8.8586 108.7791 58.5741 63.6697 177.0560 57 G 3.9360 9.0646 114.8896 45.5808 0.0000 173.7120 58 V 2.7647 6.6881 111.9519 59.3485 30.3272 174.3826 59 P 4.3834 0.0000 0.0000 62.2154 31.8780 177.7365 60 A 4.0810 8.4610 122.6064 55.1282 18.6051 179.1423 61 R 3.8560 8.0247 112.2806 59.3399 29.1822 176.9410 62 F 5.9377 7.3826 114.2649 56.2192 39.8894 174.7576 63 S 4.8510 8.6832 112.5439 59.4614 65.7328 174.6806 64 G 3.6920 6.3459 107.3584 47.4022 0.0000 172.7990 65 S 4.6777 7.6582 116.6996 61.1020 67.3505 176.6595 66 G 3.7723 9.3076 107.2869 46.1130 0.0000 171.1828 67 S 3.1168 6.2841 113.6832 57.9983 65.2535 174.6350 68 G 3.8624 7.2299 110.2605 45.2901 0.0000 175.0013 69 T 4.9214 7.0489 113.1605 61.9267 70.3998 173.7551 70 S 5.8810 7.8055 114.4324 56.9727 66.0259 172.9642 71 Y 5.0238 8.8301 122.6657 57.2300 41.8376 173.6716 72 S 4.8430 8.8501 113.6303 58.3033 66.9260 173.0055 73 L 4.7987 8.2787 120.5977 53.8555 45.4220 175.0757 74 T 5.1519 8.8059 117.9810 62.7633 73.4653 173.7191 75 I 4.8630 9.4435 125.0392 60.3628 39.3419 176.8134 76 S 3.9681 9.0774 122.1641 58.9957 64.0200 175.0258 77 R 5.0928 9.3507 124.2661 56.0382 32.0813 174.1765 78 M 4.6905 9.0437 121.4399 55.2840 32.8754 174.9600 79 E 4.8406 9.3868 119.8435 56.6824 31.0219 177.0261 80 A 4.4088 8.6516 123.8767 55.5099 19.7580 181.4213 81 E 4.2976 8.0554 112.5677 56.6090 28.9647 177.5401 82 D 4.9261 8.0812 119.5402 56.6993 44.0546 177.1683 83 A 4.9808 8.0856 121.1598 52.2705 16.0558 174.9412 84 A 4.8056 7.4889 123.8386 49.8544 23.6356 175.5859 85 T 4.5559 7.6091 110.6732 62.0560 71.9092 173.4600 86 Y 4.8572 8.1071 121.4523 56.3234 41.6206 174.4688 87 Y 5.5509 9.3120 120.5901 56.3820 41.6339 175.3085 88 C 3.2760 10.3248 120.8320 57.6573 31.8578 172.4162 89 Q 4.3332 7.5636 116.4764 55.2835 32.4655 172.4550 90 Q 4.4805 8.4837 128.6650 55.2166 29.7503 175.3029 91 R 4.5026 8.3823 122.5626 55.9487 31.8863 176.3963 92 S 4.1285 8.0079 113.1286 61.9204 63.0555 174.8130 93 S 4.3608 7.6008 113.3369 58.2142 63.1584 173.4852 94 Y 4.9872 8.4981 123.6058 59.9132 39.3697 175.3616 95 P 4.3456 0.0000 0.0000 68.1250 30.4505 177.9842 96 I 3.4900 12.0000 116.3788 57.4509 35.4295 175.1466 97 T 4.6010 8.3325 119.1356 60.0656 70.3101 173.7688 98 F 4.2808 8.8880 127.3163 56.3330 40.1115 177.2070 99 G 3.8583 8.7680 111.4714 46.8185 0.0000 172.8122 100 S 4.6847 10.4067 112.3435 57.3367 65.8427 173.4449 101 G 4.1009 7.5362 124.1854 44.5928 0.0000 171.2735 102 T 4.4580 7.7603 123.7408 62.0274 68.7255 172.0991 103 K 4.2157 8.6413 126.8934 56.1576 33.4102 175.3514 104 L 4.4756 9.8626 132.6553 55.0159 42.7333 175.1583 105 E 4.9101 8.8191 126.2030 54.3640 32.8533 174.0183 106 I 4.6207 8.1309 126.3741 59.0402 39.6480 174.7193 107 K 4.1535 8.1103 127.0318 54.4562 34.8215 175.1142 108 R 4.9121 7.6577 122.9606 54.5590 33.9495 173.5843 109 A 4.4465 8.6511 124.2413 51.9289 19.2048 176.0897 110 D 4.8739 8.4686 118.8394 52.7607 42.4983 177.0770 111 A 4.3126 8.4509 125.5589 52.3298 19.2989 175.5391 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 Q 8.34 4.16 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.02 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 2 I 7.69 3.54 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.75 0.92 0.00 0.00 3 V 9.13 3.88 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 0.97 0.00 0.00 0.98 0.00 0.00 4 L 8.47 4.64 0.00 1.61 1.55 0.75 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.04 4.36 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 1.25 0.00 0.00 6 Q 9.09 4.37 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.99 0.00 0.00 0.00 0.00 0.00 2.46 2.82 0.00 7 S 12.00 4.42 0.00 4.05 3.72 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 0.00 0.00 0.00 8 P 0.00 4.42 0.00 2.21 2.12 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 9 A 8.54 4.34 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 6.64 4.66 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.04 0.92 0.00 0.00 11 M 7.38 4.88 0.00 2.17 1.10 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 2.50 2.50 0.00 12 S 8.28 4.78 0.00 3.83 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 9.45 5.59 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 14 F 9.20 4.59 0.00 3.15 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.43 0.00 1.97 1.97 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 16 G 9.61 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 17 E 8.67 4.01 0.00 2.12 1.97 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 2.42 2.57 0.00 18 K 8.71 4.62 0.00 1.91 1.69 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.69 7.81 19 V 8.31 4.45 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 1.02 0.00 0.00 20 T 8.36 5.02 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 1.21 0.00 0.00 21 I 8.21 4.63 1.64 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.70 1.19 0.00 0.00 22 T 8.29 5.22 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 23 C 9.53 5.42 0.00 2.83 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 9.19 5.59 0.00 3.91 3.87 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 25 A 8.71 4.84 1.27 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 0.00 0.00 26 T 8.71 3.83 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 1.28 0.00 0.00 27 S 7.50 4.36 0.00 3.90 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 *29 S 8.35 5.18 0.00 3.89 3.88 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 30 V 8.25 4.25 1.92 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 0.26 0.00 0.00 0.78 0.00 0.00 31 N 8.57 4.28 0.00 2.76 2.39 0.00 0.00 6.83 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.23 4.69 0.00 2.94 2.85 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 0.00 0.00 0.00 0.00 33 M 8.70 3.99 0.00 2.47 2.19 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.20 0.00 34 H 8.98 5.49 0.00 3.34 3.46 0.00 5.61 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 10.29 5.28 0.00 3.37 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 F 10.64 5.50 0.00 3.24 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.90 4.46 0.00 1.18 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.00 38 Q 8.41 4.55 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 39 K 8.42 4.32 0.00 1.59 1.69 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.31 7.81 40 P 0.00 4.46 0.00 2.01 1.97 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 41 G 9.46 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 6.94 4.73 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 1.27 0.00 0.00 43 S 8.45 4.33 0.00 3.92 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 44 P 0.00 4.72 0.00 2.46 2.24 0.00 3.75 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 1.95 1.88 0.00 45 K 9.26 4.43 0.00 1.68 1.72 0.00 1.53 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.42 7.81 46 L 8.17 3.31 0.00 1.33 1.60 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 47 W 9.73 4.74 0.00 3.45 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.19 5.56 2.07 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.07 1.00 0.00 0.00 49 Y 8.01 5.04 0.00 3.34 3.25 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 0.00 50 S 9.58 3.59 0.00 4.11 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.80 4.46 0.00 4.52 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 0.00 52 S 7.88 4.63 0.00 3.94 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 53 N 8.28 4.34 0.00 1.64 1.61 0.00 0.00 7.02 6.48 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 54 L 8.23 4.06 0.00 1.40 1.50 0.87 0.79 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 55 A 8.50 4.72 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 56 S 8.86 4.38 0.00 3.94 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.06 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 0.00 0.00 0.00 58 V 6.69 2.76 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.59 0.00 0.00 59 P 0.00 4.38 0.00 2.13 2.02 0.00 3.93 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.26 0.00 60 A 8.46 4.08 1.24 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 0.00 0.00 61 R 8.02 3.86 0.00 1.54 2.04 0.00 2.92 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.06 0.00 62 F 7.38 5.94 0.00 3.27 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 63 S 8.68 4.85 0.00 4.07 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 64 G 6.35 3.69 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 0.00 0.00 0.00 65 S 7.66 4.68 0.00 3.96 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.31 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 6.28 3.12 0.00 3.72 3.56 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 68 G 7.23 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 0.00 0.00 0.00 69 T 7.05 4.92 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 70 S 7.81 5.88 0.00 3.81 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 8.83 5.02 0.00 3.19 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.85 4.84 0.00 3.83 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 73 L 8.28 4.80 0.00 0.27 0.79 0.71 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.81 5.15 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 1.26 0.00 0.00 75 I 9.44 4.86 1.80 0.00 0.00 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 1.82 0.87 0.44 0.00 0.00 76 S 9.08 3.97 0.00 3.72 3.88 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 77 R 9.35 5.09 0.00 1.97 2.14 0.00 3.05 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.30 0.00 78 M 9.04 4.69 0.00 2.11 2.30 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 2.65 2.55 0.00 79 E 9.39 4.84 0.00 2.17 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 80 A 8.65 4.41 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.06 4.30 0.00 2.24 2.15 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 2.33 2.36 0.00 82 D 8.08 4.93 0.00 2.69 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.09 4.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 7.49 4.81 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.61 4.56 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 86 Y 8.11 4.86 0.00 3.18 3.05 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 0.00 0.00 0.00 0.00 87 Y 9.31 5.55 0.00 3.18 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 88 C 10.32 3.28 0.00 1.94 1.18 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 0.00 89 Q 7.56 4.33 0.00 1.84 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.92 0.00 0.00 0.00 0.00 0.00 1.27 1.16 0.00 90 Q 8.48 4.48 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.51 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 91 R 8.38 4.50 0.00 1.74 1.89 0.00 3.26 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 92 S 8.01 4.13 0.00 3.83 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 93 S 7.60 4.36 0.00 3.82 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.50 4.99 0.00 2.99 2.86 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 95 P 0.00 4.35 0.00 2.06 1.97 0.00 4.06 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 96 I 12.00 3.49 1.86 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 1.40 0.93 0.80 0.00 0.00 97 T 8.33 4.60 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 1.33 0.00 0.00 98 F 8.89 4.28 0.00 2.71 2.71 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 99 G 8.77 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 0.00 0.00 0.00 100 S 10.41 4.68 0.00 3.99 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 0.00 101 G 7.54 4.10 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 0.00 102 T 7.76 4.46 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 103 K 8.64 4.22 0.00 1.77 1.73 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.72 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.51 7.81 104 L 9.86 4.48 0.00 2.11 2.22 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.82 4.91 0.00 2.00 1.76 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 2.24 2.25 0.00 106 I 8.13 4.62 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.85 0.85 0.00 0.00 107 K 8.11 4.15 0.00 0.79 0.74 0.00 1.83 0.00 0.00 2.10 0.00 0.00 2.73 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.11 1.33 7.81 108 R 7.66 4.91 0.00 1.73 1.66 0.00 3.24 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 109 A 8.65 4.45 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 4.87 0.00 2.70 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 0.00 111 A 8.45 4.31 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 * Residues marked with a * may have inaccurate shift predictions.