NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3565 8.3001 120.3482 55.5261 32.9743 175.2235 2 A 4.1140 8.2735 125.9970 52.3128 19.4899 172.4745 3 V 3.9980 8.4529 117.5417 62.9317 33.2546 173.5352 4 E 4.4962 8.7692 124.4696 56.3217 33.0621 175.2178 5 Y 5.1906 8.8614 116.9416 55.8889 41.9124 174.6196 6 L 5.0954 8.7798 125.7813 53.6272 43.9920 174.9603 7 V 4.7765 9.0133 127.7866 61.6019 33.0531 175.2225 8 D 4.7151 8.2486 127.3105 51.8433 42.0627 176.9002 9 A 3.9312 8.3437 119.3151 55.6179 17.7799 179.9116 10 S 4.0497 7.9457 111.9476 61.3251 63.1337 176.3621 11 A 3.9230 8.8685 124.6810 54.8029 18.2585 179.0035 12 L 3.6043 8.4730 119.4596 58.7079 41.5140 178.6723 13 Y 3.7985 8.1451 118.8248 60.4878 38.6199 178.0018 14 A 4.1385 7.8773 121.2429 55.0492 18.6707 179.3807 15 L 4.0674 8.2983 117.6059 58.0048 41.4325 179.2414 16 A 4.4846 7.8808 118.2794 53.7251 18.2747 178.1241 17 A 4.7591 7.9920 117.9186 51.6394 20.1219 176.2033 18 H 5.0887 8.7797 116.4056 55.4876 30.3891 175.1505 19 Y 3.5232 8.6357 121.9386 60.9175 38.7527 177.9651 20 D 4.0412 7.9480 117.2576 57.0679 41.0496 178.2459 21 K 4.1390 7.5898 117.6768 57.9126 32.3175 177.6637 22 W 4.8398 6.9387 113.4823 55.9666 29.9327 176.9293 23 I 2.8831 6.2762 118.9716 63.4844 37.1099 176.5085 24 K 3.9529 7.6289 119.3789 58.1969 32.3914 176.6125 25 H 4.9256 8.8709 114.6758 54.3914 29.4898 176.4712 26 R 3.8331 8.1210 118.4528 59.4168 29.0418 177.9494 27 E 4.1819 8.2982 114.0620 57.2972 29.6417 177.5280 28 K 4.8252 8.4935 118.4624 55.4660 33.7694 175.0013 29 L 5.3199 8.5369 120.9170 53.0255 43.7064 175.5361 30 A 5.6157 9.6831 125.3861 50.2131 23.2719 174.1632 31 I 4.9767 8.6931 111.7258 59.5702 42.1259 174.2357 32 L 4.8159 8.4234 122.1240 53.5115 43.6507 178.0699 33 H 4.1972 8.7593 116.9674 58.9576 28.5060 177.7438 34 L 4.2379 8.0988 121.8618 58.5977 41.8674 178.7294 35 T 3.9878 7.7699 115.1743 66.8755 68.3565 176.2382 36 I 3.5433 7.4032 121.4166 64.5881 37.0426 178.0327 37 Y 4.1018 7.3164 116.6484 61.1725 37.9005 178.2494 38 E 3.9319 8.4553 119.2726 59.5564 29.7359 179.4654 39 A 4.2507 8.2671 120.7217 55.2111 18.4639 179.9465 40 G 3.6774 8.3411 104.3343 47.9318 0.0000 175.4840 41 N 4.5960 8.6771 119.4058 56.4706 38.8388 176.9267 42 A 3.8912 8.0769 122.2592 54.8889 18.3969 179.4397 43 L 4.1567 8.0741 119.9066 57.4481 42.2308 178.6877 44 W 4.2400 8.4095 128.4363 60.7542 30.7238 177.9774 45 K 3.1269 8.1349 118.1890 59.3051 31.5090 179.1980 46 E 3.9183 7.8333 118.5744 59.0885 29.2511 179.3156 47 A 3.9354 7.8934 120.9108 55.2287 18.2536 179.8297 48 R 3.7038 7.6476 115.6030 58.6948 29.9548 178.1457 49 L 4.5318 7.1526 116.4722 54.1882 41.8841 176.9081 50 G 3.8065 8.1893 106.9257 45.6394 0.0000 174.2266 51 R 4.2279 7.5702 120.2994 54.8283 29.5658 176.4588 52 V 3.9000 8.5981 125.9735 66.2363 31.8495 178.5034 53 D 4.6747 7.9533 119.0157 53.1230 39.3278 178.2289 54 W 4.3804 8.2130 119.9987 60.1978 28.1527 177.0466 55 A 3.2164 6.7901 120.4981 54.8324 18.2844 178.9116 56 A 3.9854 7.6718 118.4050 55.2465 18.5439 179.5154 57 A 4.0330 8.0814 119.5648 55.2662 18.4900 180.0103 58 S 4.2498 8.2289 112.6991 61.5510 63.0661 177.0333 59 R 3.9793 7.8818 121.7313 59.2478 29.7362 178.3196 60 H 4.1764 8.1410 117.7313 59.0870 29.8818 176.9632 61 L 3.8183 7.9776 122.3310 57.7007 41.8706 178.8089 62 K 3.8882 7.9805 119.5316 59.3187 31.9594 178.5113 63 K 3.8832 7.6631 118.2801 59.5823 32.4427 178.2057 64 V 4.1443 7.9257 118.5468 66.5953 31.3053 178.0379 65 L 4.1377 8.4897 118.9117 57.7351 41.1862 179.6603 66 S 4.3198 8.1632 113.4045 61.1477 63.0630 176.3005 67 S 4.3644 8.2911 117.8451 59.8395 62.9630 174.1833 68 F 4.7941 7.5842 120.1166 56.4314 40.2604 175.8701 69 K 4.4600 8.6773 120.7551 55.9034 33.8883 175.9734 70 V 4.7279 8.1545 122.9993 61.1531 32.8054 175.5429 71 L 4.3990 8.6541 128.4403 54.2168 42.4589 177.0940 72 E 4.2529 8.5967 120.0771 56.1246 30.1674 176.9352 73 D 4.5343 8.4373 121.3708 53.8660 41.5102 175.0612 74 P 4.6273 0.0000 0.0000 61.2511 32.5332 174.9059 75 P 4.3735 0.0000 0.0000 62.0378 32.6403 177.2267 76 L 4.1387 8.6254 124.7457 58.5304 41.9935 178.9211 77 D 4.4094 8.0823 118.3601 56.4182 39.2933 178.4061 78 E 3.7492 7.8132 119.4591 59.2393 29.5515 179.1331 79 V 3.2864 7.2164 118.1620 65.7051 31.3546 177.8386 80 L 4.0518 8.0064 120.2508 57.9465 41.9700 178.7834 81 R 3.8615 7.7220 118.7269 59.5335 30.0316 178.7434 82 V 3.6104 7.7029 117.3305 65.8746 31.5286 177.8338 83 A 3.9933 8.1294 120.7141 55.1713 17.9725 179.8185 84 V 3.6069 7.7831 115.9351 66.0624 31.7058 177.8867 85 E 4.1752 8.2212 117.5701 58.3829 29.4522 178.3525 86 R 4.5279 7.9023 115.1356 54.7048 31.0616 176.0079 87 G 3.8490 8.1585 106.1579 47.0345 0.0000 173.5367 88 L 4.7942 7.5770 117.7465 52.2270 44.8973 177.4546 89 T 4.2460 8.0566 110.9664 61.3163 71.0692 175.4110 90 F 3.9272 8.4452 122.9097 61.3830 38.9468 176.6216 91 Y 4.4672 7.6238 115.8925 61.4427 37.8754 178.2563 92 D 4.4375 8.7501 119.7780 57.5595 40.9164 178.7052 93 A 4.0479 8.4695 121.5208 55.1642 18.0916 179.7491 94 S 3.8715 7.7310 113.5469 62.1836 62.9734 176.4928 95 Y 4.0107 7.6582 118.5994 60.9026 37.5873 178.7067 96 A 4.0277 8.0408 121.1694 55.3387 18.5217 179.0254 97 Y 3.8456 8.2553 118.2201 60.7559 38.9240 178.3427 98 V 3.4568 8.1543 119.0415 66.0416 31.6031 177.3231 99 A 3.9334 7.9945 120.2757 55.7572 18.3668 179.5071 100 E 3.8169 8.1511 116.2600 59.4474 29.2949 179.7365 101 S 3.9401 7.9488 112.9486 60.6568 62.4556 175.3896 102 S 4.5659 8.2859 115.2989 57.4384 62.9627 174.4965 103 G 3.7790 7.3445 108.3848 46.3926 0.0000 173.7662 104 L 4.5431 7.8032 119.3181 53.0012 44.3238 176.0486 105 V 4.1949 8.0208 120.3546 61.2257 33.1554 174.5296 106 L 4.6560 8.5703 130.8364 54.9701 43.6685 175.3245 107 V 4.7886 9.1726 127.4017 61.7081 33.1752 174.2181 108 T 5.0283 8.7229 122.3181 60.4131 71.0922 173.8253 109 Q 4.3611 8.4367 125.2932 55.9001 29.5061 175.3533 110 D 4.6300 8.0537 117.6297 53.4687 41.8531 176.4474 111 R 3.8842 8.6162 127.4029 59.5015 30.0400 178.2714 112 E 3.9138 8.7155 119.0800 59.5549 29.7778 179.0546 113 L 4.0534 8.0392 118.3014 57.5159 41.4672 179.2134 114 L 3.9387 7.9709 118.2609 57.9723 41.7558 179.2115 115 A 4.1408 8.0457 119.2283 54.3382 18.3593 178.7148 116 K 4.5789 7.5458 113.8113 55.4210 32.9601 176.1604 117 T 4.5510 7.4462 117.4244 60.9843 70.1202 173.3436 118 K 3.9050 9.2337 129.2621 58.6477 32.1545 176.9534 119 G 3.9257 8.9803 115.0514 44.7194 0.0000 172.8667 120 A 4.5568 7.7669 121.8641 52.4237 19.2517 176.7970 121 I 4.8117 8.9195 113.5701 59.5076 42.2152 173.8858 122 D 5.3800 8.3360 122.0562 51.2470 41.7604 177.5543 123 V 3.5446 8.5579 117.6565 66.0485 31.2652 177.5107 124 E 3.8921 8.1721 118.4202 59.7862 29.4814 178.8882 125 T 3.9251 8.8421 115.9224 66.2731 68.3970 176.5504 126 L 3.8108 7.8594 122.5774 57.8725 42.0369 178.9374 127 L 3.9270 7.9734 118.9519 58.0029 41.3966 179.7942 128 V 3.6011 7.5136 110.8255 64.4975 31.7163 178.6744 129 R 4.0739 7.6920 117.5762 59.4142 29.7922 179.2025 130 L 3.9124 7.6656 116.8675 57.5246 41.8438 179.1531 131 A 4.1544 8.1597 120.9016 54.6541 17.9454 178.2645 132 A 4.5870 7.5436 117.6553 52.2597 19.0128 177.5128 133 Q 4.0907 7.8612 125.2071 57.9572 30.2001 174.6431 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 4.36 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.62 0.00 2 A 8.27 4.11 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 3 V 8.45 4.00 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 0.87 0.00 0.00 0.97 0.00 0.00 4 E 8.77 4.50 0.00 1.77 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 2.14 2.40 0.00 5 Y 8.86 5.19 0.00 2.91 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 6 L 8.78 5.10 0.00 1.84 1.63 0.98 0.94 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 7 V 9.01 4.78 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 0.65 0.00 0.00 1.03 0.00 0.00 8 D 8.25 4.72 0.00 1.58 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 0.00 0.00 0.00 9 A 8.34 3.93 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 10 S 7.95 4.05 0.00 4.01 4.05 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 11 A 8.87 3.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.47 3.60 0.00 1.54 1.79 0.80 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.15 3.80 0.00 3.39 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 14 A 7.88 4.14 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 15 L 8.30 4.07 0.00 1.71 1.36 0.58 0.73 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 16 A 7.88 4.48 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 17 A 7.99 4.76 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.78 5.09 0.00 3.47 3.37 0.00 5.65 0.00 0.00 0.00 0.00 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.64 3.52 0.00 2.98 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 20 D 7.95 4.04 0.00 2.62 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 21 K 7.59 4.14 0.00 1.94 1.91 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.38 7.81 22 W 6.94 4.84 0.00 3.45 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 6.28 2.88 0.56 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.28 0.36 0.00 0.00 24 K 7.63 3.95 0.00 1.55 1.50 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 1.32 7.81 25 H 8.87 4.93 0.00 3.23 3.33 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.12 3.83 0.00 2.09 2.34 0.00 2.96 0.00 0.00 3.49 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.65 0.00 27 E 8.30 4.18 0.00 2.15 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 0.00 2.38 2.29 0.00 28 K 8.49 4.83 0.00 2.10 2.06 0.00 1.84 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.69 1.40 7.81 29 L 8.54 5.32 0.00 1.64 1.45 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.68 5.62 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 31 I 8.69 4.98 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.80 0.59 0.00 0.00 32 L 8.42 4.82 0.00 1.45 1.51 0.45 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.76 4.20 0.00 3.40 3.51 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.10 4.24 0.00 1.79 1.73 1.35 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.77 3.99 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 36 I 7.40 3.54 1.35 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.53 0.47 0.00 0.00 37 Y 7.32 4.10 0.00 3.22 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 38 E 8.46 3.93 0.00 2.06 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 2.26 2.23 0.00 39 A 8.27 4.25 1.46 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 40 G 8.34 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 41 N 8.68 4.60 0.00 2.95 3.05 0.00 0.00 7.03 8.68 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 42 A 8.08 3.89 1.03 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 43 L 8.07 4.16 0.00 2.01 1.98 1.11 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 44 W 8.41 4.24 0.00 3.48 3.54 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 45 K 8.13 3.13 0.00 1.80 1.58 0.00 1.64 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.00 1.48 7.81 46 E 7.83 3.92 0.00 2.21 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 2.32 2.48 0.00 47 A 7.89 3.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.65 3.70 0.00 1.35 1.65 0.00 3.19 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.74 0.00 49 L 7.15 4.53 0.00 1.73 1.60 0.82 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.19 3.81 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 0.00 0.00 0.00 51 R 7.57 4.23 0.00 1.98 2.00 0.00 3.47 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 52 V 8.60 3.90 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 0.89 0.00 0.00 0.97 0.00 0.00 53 D 7.95 4.67 0.00 2.87 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 54 W 8.21 4.38 0.00 3.64 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 6.79 3.22 0.58 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 0.00 0.00 56 A 7.67 3.99 1.25 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 0.00 0.00 57 A 8.08 4.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.23 4.25 0.00 4.25 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 7.88 3.98 0.00 2.11 2.00 0.00 3.10 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 1.65 1.63 0.00 60 H 8.14 4.18 0.00 3.17 3.44 0.00 5.87 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.98 3.82 0.00 1.95 1.74 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.98 3.89 0.00 2.05 1.98 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 63 K 7.66 3.88 0.00 1.79 1.93 0.00 1.51 0.00 0.00 1.47 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.44 7.81 64 V 7.93 4.14 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 1.29 0.00 0.00 0.98 0.00 0.00 65 L 8.49 4.14 0.00 1.88 1.72 0.87 0.54 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 66 S 8.16 4.32 0.00 4.10 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 67 S 8.29 4.36 0.00 4.26 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.58 4.79 0.00 2.84 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 69 K 8.68 4.46 0.00 1.82 1.76 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.42 7.81 70 V 8.15 4.73 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 0.47 0.00 0.00 0.94 0.00 0.00 71 L 8.65 4.40 0.00 1.56 1.59 0.94 1.26 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 72 E 8.60 4.25 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 2.36 2.36 0.00 73 D 8.44 4.53 0.00 2.71 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 74 P 0.00 4.63 0.00 1.95 2.12 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 75 P 0.00 4.37 0.00 2.01 1.93 0.00 3.33 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 76 L 8.63 4.14 0.00 1.75 1.68 0.77 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.08 4.41 0.00 2.88 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 78 E 7.81 3.75 0.00 1.25 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 2.25 2.08 0.00 79 V 7.22 3.29 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.65 0.00 0.00 80 L 8.01 4.05 0.00 2.12 1.68 0.93 0.83 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 81 R 7.72 3.86 0.00 2.00 2.03 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 82 V 7.70 3.61 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 0.98 0.00 0.00 1.05 0.00 0.00 83 A 8.13 3.99 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 84 V 7.78 3.61 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 0.87 0.00 0.00 1.02 0.00 0.00 85 E 8.22 4.18 0.00 2.13 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 2.35 2.35 0.00 86 R 7.90 4.53 0.00 1.79 1.95 0.00 3.29 0.00 0.00 3.36 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 87 G 8.16 3.85 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 0.00 0.00 0.00 88 L 7.58 4.79 0.00 1.64 1.59 0.94 0.88 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 89 T 8.06 4.25 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 1.28 0.00 0.00 90 F 8.45 3.93 0.00 2.99 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 91 Y 7.62 4.47 0.00 3.20 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 92 D 8.75 4.44 0.00 2.89 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 93 A 8.47 4.05 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 7.73 3.87 0.00 3.94 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 95 Y 7.66 4.01 0.00 3.04 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 96 A 8.04 4.03 1.37 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 97 Y 8.26 3.85 0.00 3.04 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 98 V 8.15 3.46 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 0.84 0.00 0.00 1.00 0.00 0.00 99 A 7.99 3.93 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 0.00 100 E 8.15 3.82 0.00 1.96 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 2.30 2.48 0.00 101 S 7.95 3.94 0.00 2.90 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 0.00 102 S 8.29 4.57 0.00 3.84 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 0.00 103 G 7.34 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 0.00 0.00 0.00 104 L 7.80 4.54 0.00 1.50 1.69 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.02 4.19 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.77 0.00 0.00 106 L 8.57 4.66 0.00 1.82 1.57 0.96 0.93 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 0.00 107 V 9.17 4.79 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 0.88 0.00 0.00 1.02 0.00 0.00 108 T 8.72 5.03 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 109 Q 8.44 4.36 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 110 D 8.05 4.63 0.00 2.69 2.49 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 0.00 111 R 8.62 3.88 0.00 1.85 1.99 0.00 3.35 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 112 E 8.72 3.91 0.00 2.04 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 0.00 2.32 2.41 0.00 113 L 8.04 4.05 0.00 1.83 1.69 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.97 3.94 0.00 1.80 1.73 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.05 4.14 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 0.00 116 K 7.55 4.58 0.00 1.78 1.85 0.00 1.66 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.54 7.81 117 T 7.45 4.55 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 118 K 9.23 3.91 0.00 1.65 1.82 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.40 7.81 119 G 8.98 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.77 4.56 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 0.00 121 I 8.92 4.81 1.90 0.00 0.00 1.00 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 1.13 1.03 0.00 0.00 122 D 8.34 5.38 0.00 3.05 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 0.00 123 V 8.56 3.54 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 1.01 0.00 0.00 0.95 0.00 0.00 124 E 8.17 3.89 0.00 2.08 2.13 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 2.37 2.40 0.00 125 T 8.84 3.93 4.39 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 1.23 0.00 0.00 126 L 7.86 3.81 0.00 1.60 1.73 -0.03 0.15 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 0.00 127 L 7.97 3.93 0.00 1.85 1.67 0.83 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.51 3.60 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 0.77 0.00 0.00 0.94 0.00 0.00 129 R 7.69 4.07 0.00 1.97 2.02 0.00 3.29 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.96 0.00 130 L 7.67 3.91 0.00 1.59 1.28 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 131 A 8.16 4.15 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 0.00 132 A 7.54 4.59 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 0.00 133 Q 7.86 4.09 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.49 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00