NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4186 8.2516 119.6883 57.4358 33.3416 173.9164 2 R 4.2644 7.7318 117.8705 53.3410 32.4771 173.7933 3 S 4.4147 8.1117 120.8238 57.8913 66.4091 174.8470 4 A 4.0090 8.4482 124.7948 55.6017 18.2938 180.3728 5 T 3.8141 7.7897 114.0063 66.8249 68.6077 176.2720 6 D 4.3037 7.8662 120.1357 57.1715 41.1651 178.2791 7 L 3.8486 7.9545 119.6425 57.4657 41.5741 179.2018 8 L 3.8877 8.0373 120.3685 58.2152 42.1034 178.4546 9 D 4.3370 7.9250 117.5724 57.4300 41.0563 177.9184 10 E 3.9132 8.1957 119.7740 59.1283 29.3854 178.6903 11 L 3.6943 7.7635 118.4395 57.8484 41.6396 179.0180 12 N 4.6614 7.8675 114.8020 55.9600 38.5125 177.2221 13 A 4.1163 7.7678 121.6984 54.3386 18.9382 178.6629 14 V 3.8714 7.1194 109.3210 61.0155 32.3995 176.2733 15 D 4.4799 8.5667 122.0570 56.8024 41.4670 175.9367 16 E 4.7319 7.6219 116.8640 54.2663 32.8440 175.6899 17 S 4.5994 8.5809 117.5438 57.6425 60.2987 173.6579 18 A 4.1342 7.9638 130.5454 55.8386 18.9843 178.8765 19 R 5.0152 7.9222 109.5858 55.5527 33.8104 174.1866 20 I 4.8237 7.7776 120.3776 59.5886 40.2654 174.0462 21 E 4.6684 9.2666 128.8628 55.0081 31.5329 174.5212 22 A 5.2729 8.3575 126.2946 50.2214 21.5123 176.0342 23 K 5.0454 9.2552 120.6372 54.9173 37.0573 176.7989 24 R 4.6378 9.0280 121.6653 54.3375 31.1853 177.5174 25 A 4.0471 8.3923 122.0213 55.3799 18.5323 180.0664 26 S 4.1373 7.9164 109.2390 60.9442 62.6197 174.4035 27 D 4.4559 7.6797 117.9140 55.5416 41.1038 175.6335 28 M 4.0107 7.5708 118.7527 56.5161 33.1075 174.6371 29 G 3.8437 8.7364 115.4068 44.5666 0.0000 174.7516 30 K 4.0508 8.6455 120.2554 59.9962 32.3425 179.3467 31 S 4.1410 8.0563 115.5796 61.5047 62.8870 176.3007 32 V 3.8040 7.6980 120.8409 66.2655 31.4438 178.1336 33 M 4.1105 7.8617 118.0080 58.4774 31.7935 178.4860 34 E 4.0336 8.4187 118.7500 59.5625 29.5874 179.5689 35 T 3.7975 7.8482 115.6195 66.4016 68.5809 176.7322 36 V 3.8018 7.6958 120.2476 66.1542 31.5788 178.1677 37 I 3.7285 7.7661 119.0636 64.2584 36.6999 178.1148 38 A 3.9827 7.4791 120.3159 54.0946 18.2162 178.6698 39 F 4.6455 7.4896 114.9248 58.8746 39.5773 178.1299 40 A 4.0249 7.9076 121.3630 54.8901 18.2829 178.1226 41 N 4.5192 7.9790 111.2201 53.9929 37.8729 175.0151 42 E 4.1511 7.6741 120.1759 55.0805 29.6152 174.6469 43 P 4.6777 0.0000 0.0000 63.4213 31.1809 176.3837 44 G 3.9051 9.3782 112.1753 45.8849 0.0000 172.9021 45 L 4.6707 7.6652 116.5759 53.7579 42.2423 175.9188 46 D 4.1176 8.0931 117.8438 55.5066 39.4890 177.6287 47 G 3.6646 8.5286 114.2717 45.5111 0.0000 173.1206 48 G 3.3737 7.5030 105.6099 44.3155 0.0000 172.7910 49 Y 5.1359 8.1550 121.8207 55.9177 40.9419 174.5999 50 L 5.0836 8.6737 124.3004 52.9772 44.4813 175.2479 51 L 5.0288 8.8980 127.5147 53.6297 43.5948 174.8818 52 L 4.8571 8.6240 127.6107 54.1815 43.8837 177.8595 53 G 4.2610 9.0134 112.4339 45.4867 0.0000 172.4841 54 V 4.7823 7.9793 118.5496 60.7833 34.2947 173.8628 55 D 4.7271 8.8580 126.2420 52.1543 44.7630 174.3268 56 W 5.6942 7.7115 117.3357 54.9083 31.4530 173.9238 57 A 4.7916 8.9121 124.0839 50.2663 21.4670 175.1138 58 I 5.3577 8.1529 122.6416 59.1279 38.6874 175.9327 59 N 4.7061 8.6345 124.7665 52.4246 39.4730 175.8716 60 D 4.4488 8.4510 118.5298 57.1749 40.9134 178.3640 61 K 4.0635 7.9660 117.2413 57.3609 32.2548 177.0005 62 G 3.7588 7.9644 106.8100 46.3960 0.0000 172.5979 63 D 4.8142 7.9634 118.2234 52.6820 43.6409 175.0963 64 T 4.7233 8.4124 121.9881 62.1450 69.9600 173.8734 65 V 4.2225 8.2772 127.9715 61.3702 33.4176 174.1147 66 Y 5.2015 9.0971 126.7815 57.2063 38.7523 175.3861 67 R 4.9703 9.1366 123.5533 53.5025 34.2598 173.2820 68 P 4.9404 0.0000 0.0000 62.9812 31.9248 176.2908 69 V 4.2293 8.2327 112.3235 60.1841 35.0726 176.5108 70 G 3.8573 8.3821 107.5645 44.7995 0.0000 172.0544 71 L 4.6984 7.8911 118.4002 52.1146 43.1470 175.8503 72 P 4.2756 0.0000 0.0000 65.3439 31.6991 176.4263 73 D 4.4647 7.7349 117.4578 50.8820 42.9225 173.1832 74 P 4.2336 0.0000 0.0000 65.6272 31.5117 177.8225 75 D 4.3758 7.9829 115.8207 57.3773 41.2393 177.9304 76 K 3.9354 8.1797 119.9429 59.4733 32.1410 178.8163 77 V 3.5766 7.6980 118.1197 66.0853 31.1942 177.8711 78 Q 4.0286 7.7945 117.8926 58.9481 28.9208 178.5013 79 R 3.9640 7.9941 119.2692 59.3512 30.1538 178.5644 80 D 4.3751 8.3221 118.9541 57.4720 40.8662 178.8138 81 L 3.9621 8.0056 120.4370 57.8546 42.0113 178.8498 82 A 3.9995 7.7907 120.8594 55.0472 18.3349 179.5206 83 S 4.0189 7.9481 111.1512 61.5440 62.4145 176.1364 84 Q 3.9914 8.3125 121.0706 59.4616 28.5662 178.8003 85 C 4.1390 8.2462 118.3923 61.4719 31.3317 175.0550 86 A 4.1151 7.6152 121.2871 54.3908 18.7185 178.6212 87 S 4.3553 7.8938 110.0852 60.9556 63.0680 175.9714 88 M 4.1771 8.2201 121.6124 57.2939 31.7923 176.8684 89 L 4.2970 7.1083 117.1774 53.4856 42.9202 176.5540 90 N 4.2061 7.8099 118.6448 55.0556 37.1496 175.6071 91 V 4.2368 7.1786 109.4054 58.7412 34.5555 175.2255 92 A 4.1834 8.3086 123.5676 51.8342 18.2473 176.4033 93 L 4.4109 8.1598 123.8482 54.4260 43.6024 175.8870 94 R 4.5233 8.4988 127.3315 54.2131 30.8264 173.5235 95 P 4.4526 0.0000 0.0000 62.2147 32.6584 175.8198 96 E 4.2524 9.0460 126.0014 56.3576 29.9159 174.6126 97 M 5.7756 8.4848 126.1543 52.8089 34.5379 175.4431 98 Q 4.5396 8.4570 123.0988 54.2919 33.1450 173.4991 99 L 4.8997 8.6011 126.1046 54.0996 42.6818 175.8587 100 E 4.7187 9.0129 123.7163 54.5091 33.1266 175.0549 101 Q 4.8608 8.7345 123.3135 54.7434 30.3652 175.3518 102 V 4.1609 8.7449 124.4082 61.6861 33.0546 175.3721 103 G 3.7261 9.8390 116.2865 46.6530 0.0000 173.7181 104 G 3.9138 8.5995 105.2918 44.9166 0.0000 173.9270 105 K 4.5141 7.8142 119.3908 54.6711 34.2608 175.2220 106 T 4.7089 8.3247 119.6467 62.3685 70.1672 173.9370 107 L 5.0951 8.7866 126.3355 52.8013 45.7737 175.2381 108 L 5.0378 8.5841 122.4745 53.3573 44.5733 175.7050 109 V 3.9935 8.7681 128.1534 62.4688 32.4504 175.4253 110 V 4.0832 8.6799 130.5849 61.8112 32.2029 173.9430 111 Y 4.2833 8.9377 130.9292 56.8576 40.0001 174.3986 112 V 3.9795 7.7722 128.7955 60.3411 32.3194 173.3580 113 P 4.3978 0.0000 0.0000 61.7528 32.6511 175.6407 114 E 4.1389 8.4969 121.5569 55.8160 30.5469 176.3664 115 A 4.2141 8.5599 129.4124 51.7945 19.3580 176.3228 116 D 4.5876 8.3860 119.4187 53.8108 42.2745 177.5253 117 V 3.5634 8.3639 119.8474 66.2747 31.6565 177.2835 118 T 3.9843 8.1790 108.7714 64.3421 68.6457 174.6358 119 H 4.8677 7.3318 119.4980 52.0047 28.6997 176.1291 120 K 4.1516 9.2114 128.9790 58.1738 31.5387 179.4860 121 P 4.0227 0.0000 0.0000 65.5597 27.1873 176.0288 122 I 4.0439 7.3066 123.0721 60.2066 35.7255 175.0202 123 Y 4.5528 7.3827 121.7093 55.3731 39.7478 175.8015 124 K 4.2788 8.4913 123.3370 56.3560 32.9641 176.3872 125 K 4.5207 8.2360 125.2258 56.4051 32.0570 176.1943 126 A 4.6582 7.5415 120.2132 50.5612 22.2630 176.7780 127 T 3.8418 8.6355 116.4169 63.8765 68.3101 175.1501 128 G 4.8394 8.0175 127.0700 45.6271 0.0000 170.3067 129 L 4.2066 8.0061 128.8468 52.6551 42.4555 174.6697 130 P 4.3225 0.0000 0.0000 62.6092 31.4463 175.8604 131 G 3.8968 9.6437 112.9489 43.5635 0.0000 172.4283 132 G 4.3042 7.6190 109.0297 43.3308 0.0000 171.4603 133 A 4.5997 7.5507 119.9491 51.9605 20.9579 175.6686 134 Y 4.7971 7.0842 109.8427 56.2555 40.1683 173.2221 135 R 4.3688 8.4241 121.4828 53.9064 32.1591 175.6533 136 R 4.0181 8.4871 125.4493 56.4362 30.4396 175.6307 137 I 3.9009 8.4901 126.2810 60.8323 37.9519 174.4648 138 G 3.7562 8.0583 118.7485 46.1083 0.0000 173.0952 139 S 4.5532 7.7517 116.1561 56.3483 65.0760 173.9402 140 S 4.8644 8.2623 116.9279 56.8756 64.4911 172.6463 141 D 4.7592 8.2498 122.9147 53.5945 43.8482 175.0223 142 Q 4.6172 8.4591 124.6147 56.3495 30.3558 175.8530 143 R 4.1473 8.0713 118.5111 55.2292 27.8725 173.1273 144 C 4.4596 7.9877 119.7267 57.1271 32.8266 173.0567 145 V 4.4645 8.1381 120.4184 59.2500 33.7953 174.9892 146 L 4.8119 8.0464 122.9409 54.1368 42.8582 175.5815 147 E 4.6012 8.2737 119.3781 55.8220 32.6610 174.9527 148 H 4.6361 8.5590 124.2753 55.3176 28.8562 176.5702 149 H 4.2252 7.7151 115.8428 57.3142 26.8606 172.5608 150 H 4.7517 8.4618 125.8486 54.8730 31.1574 173.5822 151 H 4.8984 8.2777 122.4021 54.5429 30.1821 173.8659 152 H 4.9192 8.4078 120.0581 54.9804 33.0647 172.7181 153 H 4.3880 7.8721 118.9298 55.8951 28.3789 173.0829 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 M 8.25 4.42 0.00 1.77 1.40 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 2 R 7.73 4.26 0.00 1.60 1.33 0.00 3.11 0.00 0.00 2.62 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.51 0.00 3 S 8.11 4.41 0.00 4.06 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 4 A 8.45 4.01 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 5 T 7.79 3.81 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 1.21 0.00 0.00 6 D 7.87 4.30 0.00 2.60 2.67 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 7 L 7.95 3.85 0.00 1.83 1.61 0.92 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.04 3.89 0.00 1.92 1.84 1.08 1.05 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 9 D 7.93 4.34 0.00 2.93 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 10 E 8.20 3.91 0.00 2.17 1.99 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 2.20 2.31 0.00 11 L 7.76 3.69 0.00 1.45 0.49 0.73 0.90 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 12 N 7.87 4.66 0.00 2.92 2.95 0.00 0.00 7.10 8.52 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 13 A 7.77 4.12 1.42 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 0.00 0.00 14 V 7.12 3.87 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 0.74 0.00 0.00 0.98 0.00 0.00 15 D 8.57 4.48 0.00 2.62 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 16 E 7.62 4.73 0.00 1.90 1.73 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 2.17 2.27 0.00 17 S 8.58 4.60 0.00 4.13 3.83 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 18 A 7.96 4.13 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 19 R 7.92 5.02 0.00 1.74 1.86 0.00 3.49 0.00 0.00 3.70 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 20 I 7.78 4.82 1.83 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.33 0.87 0.00 0.00 21 E 9.27 4.67 0.00 2.26 1.94 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 2.35 2.38 0.00 22 A 8.36 5.27 1.11 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 23 K 9.26 5.05 0.00 1.79 1.77 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.54 7.81 24 R 9.03 4.64 0.00 1.79 1.69 0.00 2.47 0.00 0.00 3.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.08 0.00 25 A 8.39 4.05 1.29 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 26 S 7.92 4.14 0.00 3.82 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 27 D 7.68 4.46 0.00 2.76 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 28 M 7.57 4.01 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.67 0.00 29 G 8.74 3.84 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 0.00 0.00 0.00 30 K 8.65 4.05 0.00 2.16 2.10 0.00 1.53 0.00 0.00 1.83 0.00 0.00 3.19 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.55 7.81 31 S 8.06 4.14 0.00 4.15 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 0.00 32 V 7.70 3.80 2.24 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 1.04 0.00 0.00 1.08 0.00 0.00 33 M 7.86 4.11 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.84 0.00 34 E 8.42 4.03 0.00 1.97 1.98 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 0.00 2.55 2.50 0.00 35 T 7.85 3.80 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 1.30 0.00 0.00 36 V 7.70 3.80 2.26 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 1.01 0.00 0.00 1.08 0.00 0.00 37 I 7.77 3.73 1.99 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 1.45 0.89 0.91 0.00 0.00 38 A 7.48 3.98 1.01 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 39 F 7.49 4.65 0.00 3.16 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 40 A 7.91 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 7.98 4.52 0.00 2.88 2.95 0.00 0.00 7.03 7.73 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 42 E 7.67 4.15 0.00 2.15 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 2.47 2.53 0.00 43 P 0.00 4.68 0.00 2.01 2.00 0.00 3.74 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 44 G 9.38 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 0.00 0.00 0.00 45 L 7.67 4.67 0.00 1.67 1.72 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.09 4.12 0.00 2.71 2.74 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 0.00 0.00 0.00 47 G 8.53 3.66 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 0.00 0.00 0.00 48 G 7.50 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.16 5.14 0.00 2.82 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.67 5.08 0.00 1.69 1.65 1.01 0.47 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 51 L 8.90 5.03 0.00 1.79 1.59 1.01 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.62 4.86 0.00 1.75 1.61 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 53 G 9.01 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 0.00 0.00 0.00 0.00 54 V 7.98 4.78 2.47 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 1.42 0.00 0.00 1.09 0.00 0.00 55 D 8.86 4.73 0.00 2.60 2.38 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 56 W 7.71 5.69 0.00 2.80 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 57 A 8.91 4.79 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 58 I 8.15 5.36 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.38 0.92 0.00 0.00 59 N 8.63 4.71 0.00 2.75 2.75 0.00 0.00 7.21 8.05 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 60 D 8.45 4.45 0.00 2.66 2.74 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 0.00 0.00 0.00 61 K 7.97 4.06 0.00 1.74 1.87 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.44 7.81 62 G 7.96 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 63 D 7.96 4.81 0.00 2.81 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.41 4.72 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 0.50 0.00 0.00 65 V 8.28 4.22 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 0.99 0.00 0.00 0.93 0.00 0.00 66 Y 9.10 5.20 0.00 3.11 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 67 R 9.14 4.97 0.00 1.75 1.81 0.00 3.13 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 68 P 0.00 4.94 0.00 2.19 2.07 0.00 3.74 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 1.99 2.02 0.00 69 V 8.23 4.23 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 0.68 0.00 0.00 0.93 0.00 0.00 70 G 8.38 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 71 L 7.89 4.70 0.00 1.66 1.60 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.28 0.00 2.17 2.18 0.00 3.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 73 D 7.73 4.46 0.00 2.66 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 74 P 0.00 4.23 0.00 2.19 2.10 0.00 3.65 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 2.12 2.16 0.00 75 D 7.98 4.38 0.00 2.77 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 76 K 8.18 3.94 0.00 2.03 1.81 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.45 7.81 77 V 7.70 3.58 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 1.05 0.00 0.00 1.02 0.00 0.00 78 Q 7.79 4.03 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.63 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 79 R 7.99 3.96 0.00 2.04 1.96 0.00 3.37 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 80 D 8.32 4.38 0.00 2.74 2.73 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 0.00 81 L 8.01 3.96 0.00 1.96 1.68 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.79 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 S 7.95 4.02 0.00 3.93 4.08 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 84 Q 8.31 3.99 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 85 C 8.25 4.14 0.00 3.12 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 86 A 7.62 4.12 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 87 S 7.89 4.36 0.00 3.89 3.98 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 0.00 0.00 0.00 0.00 88 M 8.22 4.18 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.58 0.00 89 L 7.11 4.30 0.00 1.74 1.49 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 90 N 7.81 4.21 0.00 2.35 1.90 0.00 0.00 6.26 7.38 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 91 V 7.18 4.24 2.01 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 0.73 0.00 0.00 0.87 0.00 0.00 92 A 8.31 4.18 1.21 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 0.00 0.00 0.00 93 L 8.16 4.41 0.00 1.61 1.64 0.90 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.50 4.52 0.00 1.85 1.83 0.00 3.29 0.00 0.00 3.29 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 95 P 0.00 4.45 0.00 2.13 2.03 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 96 E 9.05 4.25 0.00 2.29 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 0.00 2.37 2.40 0.00 97 M 8.48 5.78 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.38 0.00 98 Q 8.46 4.54 0.00 2.13 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.97 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 99 L 8.60 4.90 0.00 1.56 1.60 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 100 E 9.01 4.72 0.00 1.85 1.79 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 2.21 2.39 0.00 101 Q 8.73 4.86 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 102 V 8.74 4.16 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 0.95 0.00 0.00 0.96 0.00 0.00 103 G 9.84 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 0.00 0.00 0.00 0.00 104 G 8.60 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 0.00 0.00 0.00 105 K 7.81 4.51 0.00 1.91 1.71 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.59 7.81 106 T 8.32 4.71 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 0.00 107 L 8.79 5.10 0.00 1.77 1.58 0.94 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.58 5.04 0.00 1.76 1.54 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.77 3.99 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 1.11 0.00 0.00 1.02 0.00 0.00 110 V 8.68 4.08 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 0.96 0.00 0.00 1.01 0.00 0.00 111 Y 8.94 4.28 0.00 3.05 2.98 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 0.00 0.00 0.00 0.00 112 V 7.77 3.98 1.89 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 0.98 0.00 0.00 0.87 0.00 0.00 113 P 0.00 4.40 0.00 2.02 1.88 0.00 3.61 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 114 E 8.50 4.14 0.00 2.12 1.83 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 2.36 2.44 0.00 115 A 8.56 4.21 1.30 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 0.00 0.00 0.00 116 D 8.39 4.59 0.00 2.81 2.77 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 0.00 117 V 8.36 3.56 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 0.95 0.00 0.00 0.92 0.00 0.00 118 T 8.18 3.98 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 1.20 0.00 0.00 119 H 7.33 4.87 0.00 3.21 3.32 0.00 5.55 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 9.21 4.15 0.00 1.87 1.71 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.63 1.67 7.81 121 P 0.00 4.02 0.00 2.23 2.39 0.00 3.87 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 122 I 7.31 4.04 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.74 0.87 0.00 0.00 123 Y 7.38 4.55 0.00 3.08 3.04 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 0.00 124 K 8.49 4.28 0.00 1.75 1.80 0.00 1.66 0.00 0.00 1.90 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.76 7.81 125 K 8.24 4.52 0.00 1.76 1.84 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.32 7.81 126 A 7.54 4.66 1.21 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 0.00 0.00 0.00 127 T 8.64 3.84 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 1.22 0.00 0.00 128 G 8.02 4.84 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 0.00 0.00 0.00 129 L 8.01 4.21 0.00 1.60 1.60 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.32 0.00 2.20 2.06 0.00 3.82 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 131 G 9.64 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 0.00 0.00 0.00 132 G 7.62 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 0.00 0.00 0.00 0.00 133 A 7.55 4.60 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 0.00 134 Y 7.08 4.80 0.00 3.12 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.42 4.37 0.00 1.71 1.86 0.00 3.52 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 136 R 8.49 4.02 0.00 1.84 1.86 0.00 3.31 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 137 I 8.49 3.90 1.94 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 1.39 0.98 0.96 0.00 0.00 138 G 8.06 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 0.00 139 S 7.75 4.55 0.00 3.98 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 0.00 140 S 8.26 4.86 0.00 3.85 3.78 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 0.00 141 D 8.25 4.76 0.00 2.65 2.68 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 0.00 142 Q 8.46 4.62 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.26 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 143 R 8.07 4.15 0.00 1.85 1.99 0.00 3.43 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 144 C 7.99 4.46 0.00 2.93 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 0.00 145 V 8.14 4.46 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 0.88 0.00 0.00 0.89 0.00 0.00 146 L 8.05 4.81 0.00 1.70 1.62 0.93 0.54 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 0.00 147 E 8.27 4.60 0.00 1.93 1.90 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 2.32 2.27 0.00 148 H 8.56 4.64 0.00 3.24 3.33 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 H 7.72 4.23 0.00 3.28 3.50 0.00 5.50 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 H 8.46 4.75 0.00 3.22 3.24 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 H 8.28 4.90 0.00 3.29 3.27 0.00 5.54 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 H 8.41 4.92 0.00 3.10 3.18 0.00 5.69 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 0.00 153 H 7.87 4.39 0.00 3.19 3.14 0.00 5.61 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