NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3395 8.3044 118.7943 54.2678 32.4668 175.1118 2 V 3.7850 8.2822 125.8296 60.5512 30.8199 173.0838 3 K 4.4445 9.2726 127.6463 55.4857 34.3798 176.2659 4 L 5.0451 8.2317 124.0383 52.8972 45.1274 175.5575 5 M 4.5508 8.2329 117.3629 55.2291 35.3219 172.9181 6 I 4.9469 8.5560 127.2731 59.6860 39.4798 175.1330 7 I 4.6994 8.6656 126.8985 59.5729 40.7977 174.4437 8 E 4.9938 8.8274 124.4400 55.1740 31.6663 175.7769 9 G 4.1283 8.9392 109.3598 44.7520 0.0000 171.0508 10 E 4.8392 9.2275 126.7226 54.6565 31.3837 175.5062 11 V 3.9140 8.8465 128.4044 63.4826 32.4376 175.2494 12 V 4.8283 8.3837 120.1818 59.8416 35.7921 175.0405 13 S 4.7908 8.6803 117.6434 57.0379 64.8625 174.4227 14 G 4.3828 8.0646 111.7833 44.2127 0.0000 172.3972 15 L 4.1136 8.5915 118.4700 55.3707 41.7785 177.4221 16 G 3.8823 8.1666 106.4808 46.4229 0.0000 174.9824 17 E 4.1920 8.5290 122.1141 58.8748 30.3333 178.9319 18 G 3.6327 8.3944 107.7609 48.4722 0.0000 175.2921 19 R 4.0988 8.0793 114.9171 58.4901 28.9623 177.3277 20 Y 4.0526 7.6402 119.7785 60.1202 38.3049 177.5403 21 F 3.9959 8.0874 115.5924 59.3499 38.1623 177.2307 22 L 3.6803 6.5540 118.9857 56.8768 41.3181 178.9489 23 S 4.6155 7.2196 115.4019 59.6160 63.6257 175.1388 24 L 3.7768 6.8379 122.6644 53.6190 42.0874 176.2375 25 P 4.2642 0.0000 0.0000 64.3352 31.4081 176.7355 26 P 3.8755 0.0000 0.0000 65.2224 31.3339 177.9144 27 Y 3.8920 7.1685 116.1420 60.9298 37.8567 177.9980 28 K 3.9454 7.8009 118.8964 59.8516 32.1257 179.0857 29 E 3.8665 7.7882 117.9367 59.4324 29.3506 179.2683 30 I 3.6206 7.8323 118.9774 64.0976 38.0581 177.9460 31 F 4.2062 8.3569 119.0691 60.2849 38.7393 177.4248 32 K 4.6142 8.2594 120.8300 58.8793 31.7610 178.6810 33 K 3.9160 8.0842 118.6634 59.7138 32.2495 178.5774 34 I 3.9227 8.3611 119.5675 63.6151 37.2010 177.4944 35 L 4.6027 8.3412 117.2085 53.6100 42.6634 177.6843 36 G 3.9944 8.7012 106.8669 45.3820 0.0000 172.7250 37 F 4.9449 7.0878 113.3593 55.1736 41.0405 172.5053 38 E 4.8462 8.7939 121.7209 53.8946 30.4521 173.7590 39 P 5.0134 0.0000 0.0000 61.8377 32.3813 175.5663 40 Y 4.0854 8.6045 122.7800 58.1980 39.6887 177.6139 41 E 3.9379 7.3777 126.3629 53.5470 27.4982 175.4766 42 G 4.3664 6.6905 109.5644 45.2894 0.0000 170.0795 43 T 4.7841 8.3120 109.0379 59.5204 71.5539 173.3246 44 L 4.3503 8.6805 127.5279 54.2794 43.3198 175.2569 45 N 5.1662 8.6746 124.3008 52.8681 40.5046 174.2356 46 L 5.1477 8.6562 121.9203 52.8268 46.0995 175.4167 47 K 4.7256 9.2476 125.4916 55.7285 33.4747 175.6784 48 L 5.1313 8.6815 127.6020 52.8596 43.9161 176.6368 49 D 4.5618 8.8011 119.6296 55.1724 39.9236 176.2982 50 R 5.0274 7.5264 113.9973 54.3706 32.2295 174.0629 51 E 4.2149 8.6350 117.9266 57.2355 30.1635 176.3577 52 F 4.7869 9.0464 125.6900 56.3756 41.8767 173.8529 53 D 4.7552 8.0310 125.5257 52.2666 42.8585 176.0620 54 I 3.8493 8.6175 127.5271 64.0786 38.2632 177.5357 55 N 4.6399 8.3878 116.9784 55.8549 38.3666 176.0767 56 K 4.0090 8.0106 116.1604 57.5109 32.0885 176.2607 57 F 5.0398 8.1532 117.0213 55.3337 42.4942 175.8968 58 K 4.1857 8.5826 122.3746 55.9452 30.2206 176.4747 59 Y 4.8527 7.6598 121.9973 56.0233 40.6617 174.7864 60 I 4.5315 8.9180 120.4326 59.5480 39.6725 174.6572 61 E 5.0607 9.0229 128.9490 55.4389 30.5595 175.8018 62 T 4.4916 8.8589 117.8459 60.8053 70.9449 174.0365 63 E 4.1934 8.0780 120.5835 55.6125 31.0561 175.9608 64 D 4.4845 8.2780 120.3656 54.4809 41.7003 175.7985 65 F 5.0899 8.9026 120.2884 55.7123 42.6851 174.0122 66 E 4.9538 8.9832 122.3400 54.6209 31.1107 175.0145 67 F 4.7278 9.8372 130.5819 57.3667 41.0374 175.3203 68 N 3.8118 9.2453 126.9286 53.9708 35.5616 172.6597 69 G 4.2785 8.1152 111.0229 45.4390 0.0000 172.7978 70 K 4.0807 7.7603 120.5524 55.6631 32.9517 175.4969 71 R 5.0985 7.8608 120.8461 54.7801 32.4587 175.0462 72 F 4.9642 8.7476 117.4026 56.2162 43.6834 174.2087 73 F 4.7177 9.3265 121.8787 56.9502 40.0279 175.7779 74 G 4.1803 8.7228 109.1521 45.5526 0.0000 172.7383 75 V 4.8479 8.6516 112.0939 59.2462 35.9457 175.5663 76 K 4.8717 8.6142 122.3244 55.9706 33.7059 176.2421 77 V 5.0029 9.2025 123.3430 61.2371 35.5391 174.3218 78 L 4.9085 8.8608 128.6066 52.9413 44.7948 173.5330 79 P 5.1148 0.0000 0.0000 62.8445 32.3065 175.8321 80 I 4.7426 8.7529 115.4025 59.8803 41.8416 173.3347 81 K 4.9672 8.7467 122.1372 55.0232 34.4621 175.8293 82 I 4.5098 8.9270 126.2119 59.9524 38.8360 175.1184 83 L 5.0661 8.6892 129.2946 52.9226 42.4691 176.0953 84 I 4.2080 7.9141 126.1037 59.1774 38.7584 176.0947 85 G 3.8756 8.7920 119.9947 46.1211 0.0000 174.1074 86 N 4.4334 8.8602 118.9761 55.1144 37.8225 175.9924 87 K 4.2607 7.7197 118.7823 55.8475 32.9329 176.0664 88 K 4.6540 8.2269 120.0224 54.8403 34.0501 175.5184 89 I 4.2604 8.6445 126.7684 60.1151 39.0733 175.1197 90 D 4.7516 8.5517 125.8314 54.5373 41.7996 176.1517 91 G 4.3024 8.7529 108.6864 46.1766 0.0000 171.2666 92 A 5.2684 8.6543 119.7399 50.6602 23.3544 176.0803 93 I 4.5249 8.8346 121.5146 60.7634 38.7898 175.5132 94 V 4.9890 8.5868 119.7087 59.5105 34.6446 175.2818 95 V 4.4393 8.8209 125.5106 60.5455 33.5522 173.5673 96 P 4.7787 0.0000 0.0000 61.2590 32.8116 176.1516 97 K 3.9988 8.5565 119.8015 58.5132 32.2463 177.1044 98 K 4.5276 7.5831 116.1020 54.6182 34.9148 175.4041 99 T 4.5427 7.8646 116.3791 60.8369 70.1778 173.4214 100 Y 3.9757 8.7196 126.5926 60.5687 38.2982 175.9649 101 H 4.6547 7.7779 114.6960 54.4224 30.0207 174.7878 102 S 4.4546 8.3491 115.2718 57.9785 63.8436 174.6581 103 S 4.5316 8.5807 112.7638 59.2207 62.8836 174.8020 104 E 4.5673 8.1351 120.1675 56.8663 30.7911 175.3513 105 I 4.7499 7.4821 121.4535 59.8297 38.4473 175.2865 106 I 4.4774 8.3358 119.9110 59.0406 40.9530 174.0162 107 E 4.9359 8.5103 122.7654 54.9799 31.7491 174.7568 108 I 4.9171 8.7122 125.8463 59.4786 39.9624 174.7999 109 I 4.8955 8.7184 119.3078 59.5121 40.9239 174.0468 110 A 4.5047 8.1826 123.1087 50.4945 22.1913 175.5954 111 P 4.3305 0.0000 0.0000 64.8642 31.5056 177.0299 112 M 4.7062 7.3694 112.7436 52.2657 34.0387 175.5343 113 K 3.1997 8.0056 119.9595 56.6992 32.8106 177.3397 114 L 4.2379 8.2161 128.3285 57.5985 41.5840 179.4591 115 R 3.9110 7.8539 117.7288 59.2460 29.5377 178.4833 116 E 3.8317 7.8905 118.2382 59.3607 29.7006 177.9709 117 Q 4.0796 7.7228 116.1319 57.1217 29.1144 175.9374 118 F 4.6263 7.6007 115.1800 56.9143 41.4589 174.3837 119 N 4.1012 7.6482 116.5826 54.4078 37.4472 174.2238 120 L 4.6342 8.0332 117.8745 53.5891 43.5224 177.1912 121 K 4.6763 9.4916 122.5090 54.3504 35.2537 175.3498 122 D 4.6824 8.4374 119.6354 56.3864 41.1593 176.8285 123 G 4.1431 9.1350 111.5587 44.9685 0.0000 173.9707 124 D 4.4902 7.8772 119.7782 54.5130 42.0143 175.6124 125 V 4.8486 8.3001 122.4162 61.3183 33.2298 174.6078 126 I 4.6834 8.6820 120.4341 59.0240 41.5145 173.9687 127 K 5.2141 8.3788 121.0060 54.4758 35.3517 175.6965 128 I 4.9462 8.6216 116.5070 58.9588 41.1836 173.8674 129 L 5.1881 9.1184 125.7940 53.3835 44.8077 174.9853 130 I 4.8228 8.7453 126.5948 59.4301 39.8900 174.8884 131 K 4.1549 8.9891 128.6319 56.3541 33.5790 178.0556 132 G 4.1011 8.4513 114.0787 45.7049 0.0000 170.6190 133 D 4.6955 8.0633 115.5165 52.2085 41.6629 174.3279 134 K 3.9894 8.6517 118.8495 59.3302 32.2196 177.2802 135 D 5.0421 7.3785 118.1524 53.1859 41.4376 176.1133 136 E 4.2403 7.8780 123.7305 56.9239 30.5869 175.4956 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 8.30 4.34 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 V 8.28 3.79 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 0.94 0.00 0.00 3 K 9.27 4.44 0.00 1.84 1.74 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 4 L 8.23 5.05 0.00 1.53 1.63 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 5 M 8.23 4.55 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.70 0.00 6 I 8.56 4.95 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.78 0.97 0.00 0.00 7 I 8.67 4.70 1.89 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.85 0.94 0.00 0.00 8 E 8.83 4.99 0.00 1.84 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 0.00 2.22 2.29 0.00 9 G 8.94 4.13 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 0.00 10 E 9.23 4.84 0.00 2.01 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 2.24 2.39 0.00 11 V 8.85 3.91 2.19 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 0.75 0.00 0.00 0.95 0.00 0.00 12 V 8.38 4.83 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 0.78 0.00 0.00 0.95 0.00 0.00 13 S 8.68 4.79 0.00 3.84 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 14 G 8.06 4.38 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 0.00 15 L 8.59 4.11 0.00 1.68 1.71 0.84 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.17 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 0.00 0.00 0.00 17 E 8.53 4.19 0.00 2.18 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 0.00 2.52 2.57 0.00 18 G 8.39 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 0.00 0.00 0.00 19 R 8.08 4.10 0.00 1.96 2.10 0.00 2.79 0.00 0.00 3.86 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 20 Y 7.64 4.05 0.00 3.27 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 21 F 8.09 4.00 0.00 3.12 3.40 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 22 L 6.55 3.68 0.00 1.26 1.41 0.65 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.22 4.62 0.00 3.88 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 24 L 6.84 3.78 0.00 1.45 0.88 0.34 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.26 0.00 2.13 2.19 0.00 2.46 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.03 0.00 26 P 0.00 3.88 0.00 0.49 1.61 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.25 0.00 27 Y 7.17 3.89 0.00 3.18 3.22 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 0.00 28 K 7.80 3.95 0.00 1.92 1.86 0.00 1.59 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.52 7.81 29 E 7.79 3.87 0.00 2.04 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 0.00 2.26 2.40 0.00 30 I 7.83 3.62 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.16 0.58 0.00 0.00 31 F 8.36 4.21 0.00 3.12 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 32 K 8.26 4.61 0.00 2.04 1.91 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.33 7.81 33 K 8.08 3.92 0.00 1.84 1.97 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 34 I 8.36 3.92 1.93 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 1.54 0.80 0.98 0.00 0.00 35 L 8.34 4.60 0.00 1.01 1.29 0.73 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.70 3.99 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 0.00 0.00 0.00 37 F 7.09 4.94 0.00 3.21 3.15 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 38 E 8.79 4.85 0.00 1.99 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 2.23 2.32 0.00 39 P 0.00 5.01 0.00 1.99 2.06 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 40 Y 8.60 4.09 0.00 2.98 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 41 E 7.38 3.94 0.00 1.51 1.55 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 2.13 1.98 0.00 42 G 6.69 4.37 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 43 T 8.31 4.78 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 1.24 0.00 0.00 44 L 8.68 4.35 0.00 1.74 1.54 0.88 0.37 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 45 N 8.67 5.17 0.00 2.93 2.65 0.00 0.00 6.84 6.74 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 46 L 8.66 5.15 0.00 1.43 1.43 0.82 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.25 4.73 0.00 1.77 1.65 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.41 7.81 48 L 8.68 5.13 0.00 1.60 1.59 0.92 0.98 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 49 D 8.80 4.56 0.00 2.78 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 50 R 7.53 5.03 0.00 1.92 1.92 0.00 2.72 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 51 E 8.63 4.21 0.00 1.91 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 2.37 2.38 0.00 52 F 9.05 4.79 0.00 3.05 2.96 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 D 8.03 4.76 0.00 2.76 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 54 I 8.62 3.85 2.08 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 1.51 1.64 0.74 0.00 0.00 55 N 8.39 4.64 0.00 2.92 2.97 0.00 0.00 7.05 7.13 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 56 K 8.01 4.01 0.00 1.34 1.21 0.00 1.46 0.00 0.00 1.47 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.27 7.81 57 F 8.15 5.04 0.00 3.17 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 58 K 8.58 4.19 0.00 1.94 1.80 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.51 7.81 59 Y 7.66 4.85 0.00 3.15 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 60 I 8.92 4.53 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.79 0.98 0.00 0.00 61 E 9.02 5.06 0.00 2.29 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 2.30 2.38 0.00 62 T 8.86 4.49 4.13 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 1.20 0.00 0.00 63 E 8.08 4.19 0.00 1.73 1.82 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 1.98 1.54 0.00 64 D 8.28 4.48 0.00 2.38 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 0.00 0.00 0.00 0.00 65 F 8.90 5.09 0.00 2.90 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 66 E 8.98 4.95 0.00 1.98 1.91 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 2.21 2.38 0.00 67 F 9.84 4.73 0.00 3.01 3.40 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 68 N 9.25 3.81 0.00 2.57 2.74 0.00 0.00 7.36 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 69 G 8.12 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 0.00 0.00 0.00 70 K 7.76 4.08 0.00 1.82 1.78 0.00 1.68 0.00 0.00 1.96 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.80 1.20 7.81 71 R 7.86 5.10 0.00 1.80 1.97 0.00 2.42 0.00 0.00 2.86 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.38 0.00 72 F 8.75 4.96 0.00 3.14 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 73 F 9.33 4.72 0.00 2.96 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 74 G 8.72 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 0.00 0.00 0.00 0.00 75 V 8.65 4.85 2.28 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 0.64 0.00 0.00 1.22 0.00 0.00 76 K 8.61 4.87 0.00 1.59 1.43 0.00 1.22 0.00 0.00 0.61 0.00 0.00 2.60 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.23 1.25 7.81 77 V 9.20 5.00 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 1.32 0.00 0.00 1.25 0.00 0.00 78 L 8.86 4.91 0.00 1.90 1.52 1.05 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 5.11 0.00 2.04 2.05 0.00 3.80 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 2.09 2.16 0.00 80 I 8.75 4.74 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.62 0.94 0.00 0.00 81 K 8.75 4.97 0.00 1.78 1.72 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.56 7.81 82 I 8.93 4.51 1.70 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 1.13 0.63 0.71 0.00 0.00 83 L 8.69 5.07 0.00 1.52 1.58 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.91 4.21 1.29 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.61 0.79 0.00 0.00 85 G 8.79 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 0.00 0.00 0.00 86 N 8.86 4.43 0.00 2.83 2.98 0.00 0.00 5.90 7.13 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 87 K 7.72 4.26 0.00 1.99 1.82 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.55 7.81 88 K 8.23 4.65 0.00 1.57 1.71 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.41 7.81 89 I 8.64 4.26 1.72 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.81 0.78 0.00 0.00 90 D 8.55 4.75 0.00 2.49 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 91 G 8.75 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 92 A 8.65 5.27 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 93 I 8.83 4.52 1.82 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.48 0.74 0.00 0.00 94 V 8.59 4.99 2.28 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 0.68 0.00 0.00 1.04 0.00 0.00 95 V 8.82 4.44 2.09 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 1.02 0.00 0.00 1.02 0.00 0.00 96 P 0.00 4.78 0.00 2.11 1.83 0.00 3.84 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 97 K 8.56 4.00 0.00 1.66 1.63 0.00 1.47 0.00 0.00 1.09 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.37 7.81 98 K 7.58 4.53 0.00 1.59 1.50 0.00 1.45 0.00 0.00 1.45 0.00 0.00 2.68 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.14 1.17 7.81 99 T 7.86 4.54 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 1.14 0.00 0.00 100 Y 8.72 3.98 0.00 3.04 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 0.00 101 H 7.78 4.65 0.00 3.27 3.37 0.00 5.53 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.35 4.45 0.00 4.06 4.09 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 0.00 103 S 8.58 4.53 0.00 4.09 4.17 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 0.00 104 E 8.14 4.57 0.00 1.96 2.22 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 2.38 2.31 0.00 105 I 7.48 4.75 1.75 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 1.29 0.79 0.73 0.00 0.00 106 I 8.34 4.48 1.50 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.53 0.37 0.00 0.00 107 E 8.51 4.94 0.00 2.15 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 2.48 2.36 0.00 108 I 8.71 4.92 1.90 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.84 0.84 0.00 0.00 109 I 8.72 4.90 1.76 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.92 0.73 0.00 0.00 110 A 8.18 4.50 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 0.00 111 P 0.00 4.33 0.00 1.85 1.92 0.00 3.23 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.58 0.00 112 M 7.37 4.71 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.46 0.00 113 K 8.01 3.20 0.00 0.79 1.35 0.00 1.38 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.20 0.92 7.81 114 L 8.22 4.24 0.00 1.66 1.65 0.82 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.85 3.91 0.00 1.77 1.94 0.00 3.09 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.65 0.00 116 E 7.89 3.83 0.00 1.92 1.95 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 2.29 2.30 0.00 117 Q 7.72 4.08 0.00 2.08 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.99 0.00 0.00 0.00 0.00 0.00 1.96 2.18 0.00 118 F 7.60 4.63 0.00 3.11 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 0.00 119 N 7.65 4.10 0.00 2.78 2.79 0.00 0.00 7.05 7.66 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 0.00 120 L 8.03 4.63 0.00 1.66 1.56 0.85 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 0.00 121 K 9.49 4.68 0.00 1.85 1.87 0.00 1.33 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.43 7.81 122 D 8.44 4.68 0.00 2.66 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 0.00 123 G 9.14 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 0.00 124 D 7.88 4.49 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.30 4.85 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 0.84 0.00 0.00 0.92 0.00 0.00 126 I 8.68 4.68 1.75 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 1.15 0.98 0.82 0.00 0.00 127 K 8.38 5.21 0.00 1.60 1.68 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.31 7.81 128 I 8.62 4.95 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.68 0.81 0.00 0.00 129 L 9.12 5.19 0.00 1.69 1.64 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 130 I 8.75 4.82 1.98 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 1.03 0.83 0.91 0.00 0.00 131 K 8.99 4.15 0.00 1.81 1.74 0.00 1.96 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 132 G 8.45 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 0.00 133 D 8.06 4.70 0.00 2.59 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 0.00 134 K 8.65 3.99 0.00 1.74 1.82 0.00 1.73 0.00 0.00 1.92 0.00 0.00 2.70 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.45 7.81 135 D 7.38 5.04 0.00 2.79 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 0.00 136 E 7.88 4.24 0.00 1.99 1.77 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 2.31 2.39 0.00