NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 V 4.0936 8.0544 120.3177 61.5548 32.7866 173.5480 9 R 4.3658 8.2039 119.3296 53.8491 31.8158 173.4176 10 I 4.0564 8.4849 127.3494 61.6699 38.3125 175.5678 11 T 4.6714 8.3203 116.9477 61.5189 69.4346 174.9537 12 Q 4.1309 7.9884 120.4322 57.8153 29.5911 176.6984 13 G 4.1023 8.6196 107.5844 45.5786 0.0000 174.1839 14 T 3.7783 8.5078 117.9849 65.5081 68.6689 175.6333 15 F 5.1267 7.8036 118.8167 57.4171 39.9147 176.4982 16 S 4.5404 8.4180 115.9436 60.0086 62.8698 174.9643 17 F 4.2638 8.3438 118.0572 57.8956 39.2615 175.5253 18 L 4.6510 7.6963 120.8794 52.2215 43.1484 174.5734 19 P 4.3814 0.0000 0.0000 62.5814 31.7711 176.3759 20 D 4.4587 8.5541 120.5407 54.3762 41.0880 176.8149 21 L 4.2555 8.5205 124.8792 54.9554 42.3747 177.8434 22 T 4.2274 8.9335 114.1899 61.3312 70.9757 175.4373 23 D 4.3710 8.7731 121.9968 57.7945 40.7499 179.1214 24 E 3.9101 8.1036 119.1151 59.4734 29.8992 178.7936 25 Q 3.9471 7.6686 117.3708 58.8617 28.6375 178.7547 26 I 3.7686 8.0523 121.1509 64.1912 37.1423 178.1492 27 K 3.9018 8.2939 120.6622 59.7853 32.1210 178.9137 28 K 4.2641 7.8135 119.3298 59.0422 31.8883 179.4361 29 Q 4.0708 7.9545 118.1242 58.9137 28.4970 178.6995 30 I 3.9101 8.2643 121.2540 64.4111 37.2482 178.0630 31 D 4.3995 8.4201 119.9620 57.4804 40.7520 178.2423 32 Y 4.3102 7.9193 120.7604 60.5723 38.8633 178.0762 33 M 3.9684 8.3521 119.5328 58.5076 32.0655 178.9128 34 I 3.7742 8.1631 120.4926 64.3158 36.9849 178.6561 35 S 4.2223 8.3902 115.0965 60.5670 62.5476 175.5767 36 K 4.2844 7.4160 119.6908 54.6757 32.4089 176.3498 37 K 3.8417 7.7664 117.4656 57.3732 30.2252 175.1492 38 L 4.7620 7.6851 116.3895 53.9012 43.3289 177.5209 39 A 4.3669 8.8331 124.2011 51.7567 20.0050 176.4011 40 I 4.8015 8.6160 123.3906 59.4353 39.8418 175.1591 41 G 4.4585 9.1831 113.8291 44.3329 0.0000 171.5060 42 I 5.1356 8.3511 121.7504 59.3449 40.3612 174.4944 43 E 5.5857 9.2704 125.7684 54.9595 33.9684 174.3132 44 Y 6.3000 9.1630 118.9451 56.3116 42.0258 173.7295 45 T 4.9856 8.3210 109.1333 60.8621 72.0924 172.8669 46 N 5.1951 8.6535 117.6618 52.5963 37.6823 174.4617 47 D 4.5979 7.6345 119.0707 53.1304 41.6266 175.0428 48 I 4.0133 7.5958 124.4406 60.2352 38.1465 176.6966 49 H 4.6417 7.4918 120.0741 56.1766 30.6412 172.7472 50 P 4.3355 0.0000 0.0000 66.2244 31.0828 177.1694 51 R 4.0969 7.8638 115.1267 56.6489 30.0708 175.2688 *64 N 5.0985 8.0279 115.8954 53.3724 38.6006 173.4314 65 A 3.8395 8.2066 126.5669 53.6356 18.8096 177.1249 66 Y 4.7491 7.6595 112.3706 55.9521 38.7324 175.3155 67 W 4.6367 8.6659 124.3265 55.8837 30.7055 175.9754 68 E 4.1206 8.7575 121.6187 56.4335 29.9697 176.4746 69 I 4.3293 8.2290 124.7017 60.6201 38.5164 175.8942 70 W 4.5818 9.4332 135.0000 56.3195 29.7477 177.7048 71 G 3.6767 8.4983 119.0558 45.9327 0.0000 171.1761 72 L 4.7408 8.1487 125.0775 51.7384 44.7432 174.4260 73 P 4.1585 0.0000 0.0000 63.1083 31.4403 175.7741 74 L 4.1344 8.6150 122.7842 54.5378 41.3939 177.4012 75 F 4.1620 8.6628 123.5070 59.1618 39.5102 176.3759 76 D 4.7557 7.9876 128.5526 52.8336 40.5222 175.5889 77 V 4.3467 8.1631 123.7769 61.4124 33.0739 175.3940 78 T 4.3164 8.6185 122.9725 64.0076 70.4936 173.9756 79 D 4.8538 7.7924 121.6084 51.5216 42.5209 174.5519 80 P 4.3154 0.0000 0.0000 66.2772 30.8359 178.0925 81 A 4.0756 8.3173 119.5126 54.8452 18.3474 179.2671 82 A 3.9997 7.9921 119.3052 55.3309 18.4036 180.0949 83 V 3.6327 7.7831 116.2788 66.1140 31.6948 177.9106 84 L 4.0067 8.0822 118.8013 57.8400 41.3837 179.2298 85 F 4.1707 8.5680 120.5813 61.6337 39.2721 177.1581 86 E 4.0045 8.3133 117.6017 59.2249 29.1318 179.4513 87 I 3.5370 7.9491 120.1099 64.5162 37.2107 178.2876 88 N 4.1902 8.3947 117.3903 55.9779 38.2909 177.4343 89 A 3.7299 7.8605 122.6486 54.9951 18.4166 179.2548 90 C 2.0000 7.4916 117.2268 62.0334 31.2570 175.8971 91 R 3.7493 7.5001 118.5221 59.0790 29.6345 178.7221 92 K 3.9505 7.6783 118.2918 59.3622 32.3330 178.4729 93 A 4.1658 7.5803 119.4001 53.3116 19.6926 177.6284 94 R 4.4087 7.8101 115.8803 54.9458 30.4608 176.6483 95 S 4.1816 8.0395 115.1351 60.7320 63.9722 175.5840 96 N 4.9096 7.5201 114.6706 52.2251 36.9287 173.6357 97 F 4.7619 7.5385 114.4870 56.7189 44.1157 175.2316 98 Y 4.5054 8.9599 118.6882 57.4439 39.2909 174.9612 99 I 5.5557 8.9045 124.5806 59.4746 41.1376 174.7035 100 K 5.0086 9.4076 124.4243 55.1472 36.5973 174.9197 101 V 4.6283 7.9198 121.3316 61.0767 33.9045 174.4984 102 V 4.7617 8.8546 127.4943 60.9372 34.8222 174.2043 103 G 4.4676 8.9713 114.0094 44.4261 0.0000 171.3098 104 F 5.3404 9.3017 128.2156 56.3855 42.4087 173.9664 105 S 5.0233 8.0245 120.0867 56.6090 64.4007 174.4351 106 S 4.7044 8.9543 122.0491 58.7615 63.2124 174.5533 107 V 3.6765 7.3122 121.3733 62.5705 31.9144 176.3704 107A R 4.1039 8.4448 127.5242 59.0060 29.7780 177.7831 107B G 3.6691 8.0380 103.8107 47.4082 0.0000 173.1592 108 I 3.9098 7.2572 120.0523 59.1959 39.1044 175.5174 109 E 3.7518 7.7112 117.6926 55.4628 27.4127 172.9903 110 S 4.3605 6.1449 111.4152 57.4926 66.7548 173.4769 111 T 4.6373 8.4296 118.4865 63.4951 68.4371 175.0399 112 I 4.4569 8.6956 118.6636 60.6844 39.0100 175.2027 113 I 4.5872 7.5110 122.2925 60.3720 41.7656 173.3344 114 S 5.1228 8.7011 123.6116 57.3997 65.7669 172.8236 115 F 5.3137 8.5506 121.9273 55.1170 41.6460 173.7966 116 I 4.4971 8.6934 121.9691 61.6153 37.4325 176.1341 117 V 4.5132 8.7466 119.2592 61.1015 33.0921 175.2219 118 N 4.8268 7.7640 118.1065 52.6528 42.2094 173.1779 119 R 4.4163 8.2645 123.7518 53.1197 32.6536 173.4903 120 P 4.1856 0.0000 0.0000 62.3150 31.8329 177.4483 121 K 4.1701 8.3784 118.6503 59.4402 32.1772 177.3546 122 H 4.6705 7.6597 117.1265 54.5984 32.7469 171.8354 123 E 4.6652 8.5022 127.9016 53.8680 30.1386 173.3455 124 P 4.3143 0.0000 0.0000 66.0236 32.2763 175.1239 125 G 4.0289 7.9717 103.0727 43.7766 0.0000 172.0600 126 F 5.0458 8.7307 117.8611 55.6428 42.9781 174.1588 127 N 4.8851 8.6232 120.4019 51.3856 40.9778 173.3805 128 L 5.1552 8.5493 126.5788 53.7032 44.6334 175.0288 129 M 4.6053 9.1596 126.7053 53.9737 34.2908 175.5270 130 R 4.1080 8.5800 122.1431 54.3574 32.2184 174.1768 131 Q 4.3425 8.4937 126.1962 54.7510 30.6531 174.3937 132 E 4.3586 8.7150 126.4661 55.5585 30.0282 175.5906 133 D 4.9265 8.6686 124.8865 53.8817 41.9046 176.4491 134 K 4.1886 8.6138 116.5782 57.4097 34.1970 176.9945 135 S 3.5480 8.6533 119.1415 60.1856 62.2076 173.2857 136 R 4.5280 8.9497 124.3942 56.7362 30.6048 175.8083 137 S 4.4609 8.2071 116.1353 58.5455 63.9247 173.3637 138 I 4.8401 8.2245 123.4222 59.3619 40.6644 174.7521 139 K 4.5508 8.5554 124.7639 54.9682 34.1932 174.8817 140 Y 5.7124 8.6156 122.0170 55.9003 40.5631 175.2387 141 T 4.7103 8.5082 118.4257 61.9412 72.1751 172.6354 142 I 4.9473 8.5621 127.0406 59.9587 39.4395 174.7670 143 H 4.9541 9.0190 126.1431 54.3280 33.6148 172.8333 144 S 4.0730 8.5096 120.4968 57.9918 63.8969 174.6529 145 Y 4.4442 8.3003 121.8102 61.4566 38.0218 178.8528 146 E 3.9138 8.0729 118.6509 59.3619 29.6190 178.3719 147 S 4.6020 7.5040 112.7147 59.1000 62.3435 174.3916 148 Y 4.5228 7.8082 118.1354 58.2218 38.3097 175.8159 149 K 4.6072 7.6913 119.9125 53.4703 34.1754 174.6602 150 P 4.3495 0.0000 0.0000 62.7181 31.6237 176.6172 151 E 3.8502 9.1134 121.6449 59.6960 29.3828 178.7449 152 D 4.5872 8.1007 114.9047 54.9911 39.7109 176.2696 153 E 4.5850 8.3251 118.8095 56.0730 30.1929 175.5805 154 R 4.1989 7.4859 118.3436 56.0532 31.2611 176.2549 155 Y 3.9553 8.2374 119.1488 58.6571 38.4127 169.6246 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 8 V 8.05 4.09 2.18 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 1.01 0.00 0.00 1.01 0.00 0.00 9 R 8.20 4.37 0.00 1.80 1.75 0.00 3.19 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.73 0.00 10 I 8.48 4.06 1.93 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.69 0.89 0.00 0.00 11 T 8.32 4.67 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 12 Q 7.99 4.13 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 13 G 8.62 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 14 T 8.51 3.78 3.26 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 0.52 0.00 0.00 15 F 7.80 5.13 0.00 3.07 2.90 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 16 S 8.42 4.54 0.00 4.00 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 17 F 8.34 4.26 0.00 2.99 3.16 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 18 L 7.70 4.65 0.00 1.88 1.63 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.38 0.00 2.04 2.01 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 20 D 8.55 4.46 0.00 2.68 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.52 4.26 0.00 1.69 1.59 0.79 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.93 4.23 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 1.20 0.00 0.00 23 D 8.77 4.37 0.00 2.72 2.81 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 24 E 8.10 3.91 0.00 1.99 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 0.00 2.38 2.34 0.00 25 Q 7.67 3.95 0.00 2.27 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 26 I 8.05 3.77 2.09 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 1.65 0.89 1.10 0.00 0.00 27 K 8.29 3.90 0.00 1.99 2.05 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.67 7.81 28 K 7.81 4.26 0.00 1.94 1.81 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.48 7.81 29 Q 7.95 4.07 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.27 1.83 0.00 30 I 8.26 3.91 2.12 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.06 0.99 0.00 0.00 31 D 8.42 4.40 0.00 2.95 2.78 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 0.00 0.00 0.00 0.00 32 Y 7.92 4.31 0.00 3.10 3.26 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 33 M 8.35 3.97 0.00 2.17 2.35 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.06 2.77 0.00 34 I 8.16 3.77 2.05 0.00 0.00 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 1.61 1.08 0.96 0.00 0.00 35 S 8.39 4.22 0.00 4.00 4.12 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 0.00 0.00 0.00 0.00 36 K 7.42 4.28 0.00 1.44 1.69 0.00 1.36 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 0.95 7.81 37 K 7.77 3.84 0.00 1.86 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.44 7.81 38 L 7.69 4.76 0.00 1.57 1.74 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.83 4.37 1.13 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 0.00 0.00 40 I 8.62 4.80 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.96 0.93 0.00 0.00 41 G 9.18 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.35 5.14 2.10 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 1.34 0.88 0.90 0.00 0.00 43 E 9.27 5.59 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 44 Y 9.16 6.30 0.00 3.13 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 45 T 8.32 4.99 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 0.99 0.00 0.00 46 N 8.65 5.20 0.00 2.81 2.35 0.00 0.00 5.74 8.06 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 47 D 7.63 4.60 0.00 2.49 2.45 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 0.00 48 I 7.60 4.01 1.69 0.00 0.00 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 0.58 0.36 0.07 0.00 0.00 49 H 7.49 4.64 0.00 3.34 3.25 0.00 5.78 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.34 0.00 2.09 2.05 0.00 3.38 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 51 R 7.86 4.10 0.00 1.98 2.01 0.00 3.29 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 *64 N 8.03 5.10 0.00 2.73 3.00 0.00 0.00 7.31 7.96 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 65 A 8.21 3.84 0.71 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 0.00 0.00 66 Y 7.66 4.75 0.00 3.05 2.94 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 67 W 8.67 4.64 0.00 3.29 3.27 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 68 E 8.76 4.12 0.00 1.16 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 69 I 8.23 4.33 2.01 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 1.26 0.50 1.05 0.00 0.00 70 W 9.43 4.58 0.00 3.62 3.27 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 71 G 8.50 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.74 0.00 1.54 1.54 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.16 0.00 1.42 1.80 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 74 L 8.61 4.13 0.00 1.71 1.65 1.01 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.66 4.16 0.00 3.12 3.08 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 0.00 0.00 0.00 0.00 76 D 7.99 4.76 0.00 2.72 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 77 V 8.16 4.35 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 0.86 0.00 0.00 0.96 0.00 0.00 78 T 8.62 4.32 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 1.23 0.00 0.00 79 D 7.79 4.85 0.00 2.74 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.34 2.36 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 81 A 8.32 4.08 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.78 3.63 2.27 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 1.19 0.00 0.00 0.99 0.00 0.00 84 L 8.08 4.01 0.00 1.97 1.80 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.57 4.17 0.00 3.22 3.35 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 86 E 8.31 4.00 0.00 2.33 2.20 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 2.72 2.67 0.00 87 I 7.95 3.54 2.00 0.00 0.00 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 1.48 0.87 0.86 0.00 0.00 88 N 8.39 4.19 0.00 2.81 2.74 0.00 0.00 6.97 7.08 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 89 A 7.86 3.73 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 90 C 7.49 2.00 0.00 1.62 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.50 3.75 0.00 1.80 1.85 0.00 3.12 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 92 K 7.68 3.95 0.00 1.82 1.83 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.53 7.81 93 A 7.58 4.17 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 94 R 7.81 4.41 0.00 1.23 0.98 0.00 2.21 0.00 0.00 2.49 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.50 0.00 95 S 8.04 4.18 0.00 3.85 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 96 N 7.52 4.91 0.00 2.98 2.85 0.00 0.00 6.77 7.31 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 97 F 7.54 4.76 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.96 4.51 0.00 2.78 3.01 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 99 I 8.90 5.56 1.90 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.88 0.95 0.00 0.00 100 K 9.41 5.01 0.00 1.64 1.70 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.88 1.01 7.81 101 V 7.92 4.63 0.91 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 0.81 0.00 0.00 0.70 0.00 0.00 102 V 8.85 4.76 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 1.01 0.00 0.00 0.77 0.00 0.00 103 G 8.97 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.30 5.34 0.00 3.05 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 0.00 105 S 8.02 5.02 0.00 3.79 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.95 4.70 0.00 4.01 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 0.00 107 V 7.31 3.68 2.04 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 0.99 0.00 0.00 0.92 0.00 0.00 107A R 8.44 4.10 0.00 1.80 1.98 0.00 3.11 0.00 0.00 3.89 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 107B G 8.04 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 0.00 0.00 0.00 108 I 7.26 3.91 1.87 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 1.23 0.47 0.78 0.00 0.00 109 E 7.71 3.75 0.00 2.11 2.03 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 2.38 2.44 0.00 110 S 6.14 4.36 0.00 3.86 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.43 4.64 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 1.29 0.00 0.00 112 I 8.70 4.46 1.89 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 1.09 0.71 0.83 0.00 0.00 113 I 7.51 4.59 2.07 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 1.59 1.20 1.15 0.00 0.00 114 S 8.70 5.12 0.00 3.77 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 0.00 115 F 8.55 5.31 0.00 3.24 3.01 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 0.00 116 I 8.69 4.50 2.06 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.03 1.20 0.00 0.00 117 V 8.75 4.51 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 0.69 0.00 0.00 0.93 0.00 0.00 118 N 7.76 4.83 0.00 2.68 2.57 0.00 0.00 6.91 7.65 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 0.00 119 R 8.26 4.42 0.00 1.51 1.43 0.00 3.34 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 120 P 0.00 4.19 0.00 1.81 1.56 0.00 2.20 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.44 0.00 121 K 8.38 4.17 0.00 1.76 1.92 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.39 7.81 122 H 7.66 4.67 0.00 3.10 3.17 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.50 4.67 0.00 2.03 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 0.00 2.34 2.42 0.00 124 P 0.00 4.31 0.00 2.15 2.10 0.00 3.81 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 125 G 7.97 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 0.00 0.00 0.00 126 F 8.73 5.05 0.00 2.81 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 N 8.62 4.89 0.00 2.01 2.65 0.00 0.00 6.50 6.22 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 0.00 128 L 8.55 5.16 0.00 1.71 1.61 0.98 1.00 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 0.00 129 M 9.16 4.61 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.73 0.00 130 R 8.58 4.11 0.00 1.61 1.71 0.00 3.24 0.00 0.00 3.19 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 131 Q 8.49 4.34 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 7.02 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 132 E 8.72 4.36 0.00 1.86 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 133 D 8.67 4.93 0.00 2.51 2.35 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 0.00 134 K 8.61 4.19 0.00 1.85 1.71 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.45 7.81 135 S 8.65 3.55 0.00 3.96 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.95 4.53 0.00 1.78 1.93 0.00 3.37 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 137 S 8.21 4.46 0.00 3.89 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 0.00 138 I 8.22 4.84 1.44 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.67 0.10 0.00 0.00 139 K 8.56 4.55 0.00 1.58 1.68 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.50 7.81 140 Y 8.62 5.71 0.00 2.80 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 0.00 141 T 8.51 4.71 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 1.26 0.00 0.00 142 I 8.56 4.95 1.82 0.00 0.00 0.68 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 0.56 0.66 0.00 0.00 143 H 9.02 4.95 0.00 3.10 2.93 0.00 5.59 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.51 4.07 0.00 3.64 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 8.30 4.44 0.00 3.08 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 0.00 146 E 8.07 3.91 0.00 1.56 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 2.08 1.47 0.00 147 S 7.50 4.60 0.00 3.60 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 0.00 148 Y 7.81 4.52 0.00 3.22 2.94 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 0.00 149 K 7.69 4.61 0.00 1.78 1.68 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.36 7.81 150 P 0.00 4.35 0.00 2.39 2.20 0.00 3.73 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 2.16 1.97 0.00 151 E 9.11 3.85 0.00 2.04 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 0.00 2.49 2.47 0.00 152 D 8.10 4.59 0.00 2.86 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 0.00 153 E 8.33 4.59 0.00 2.02 1.93 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 2.22 2.23 0.00 154 R 7.49 4.20 0.00 1.61 1.34 0.00 3.16 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 155 Y 8.24 3.96 0.00 3.11 2.79 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 * Residues marked with a * may have inaccurate shift predictions.