NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4410 8.3349 115.4128 57.8121 64.2901 173.6096 2 K 4.0748 8.5510 124.2873 55.6866 32.6345 174.9750 3 T 4.3677 8.3664 114.0796 62.1906 70.3916 174.0872 4 N 4.5229 7.9865 120.3829 52.7575 39.8895 173.6443 5 P 4.3321 0.0000 0.0000 65.4507 31.5530 178.9300 6 R 3.9752 8.2559 117.4295 58.9907 29.9708 178.7108 7 L 4.0016 7.9922 119.7938 58.1465 42.0264 179.0102 8 S 4.2010 7.9569 115.0063 61.2965 62.6066 176.8878 9 S 4.1429 7.8123 117.7213 61.3947 62.7248 176.2080 10 L 3.9232 7.9822 123.0128 58.3199 41.7336 179.1964 11 I 3.7425 7.8374 119.5442 64.1966 36.9956 178.2665 12 A 4.0119 7.6822 121.7344 55.2852 18.0759 179.4790 13 D 4.2716 8.5239 117.8463 57.3058 40.6312 178.9844 14 L 3.9421 7.8612 118.9909 57.3947 41.9965 179.3465 15 K 4.1816 8.0591 118.7049 59.4827 31.5883 179.4064 16 S 4.1310 8.3577 113.2076 60.9899 61.8633 175.6304 17 A 4.2379 7.8849 122.8379 53.8859 18.2524 179.0859 18 A 4.3846 7.6404 119.8776 54.0024 18.8221 179.2737 19 R 4.2268 7.9714 114.6883 57.8108 30.6344 178.4296 20 S 4.4784 7.5562 113.4323 60.0745 63.9182 175.0611 21 S 4.6445 7.5636 116.3803 57.3275 64.1827 174.2950 22 G 4.2247 8.4588 107.8273 46.1099 0.0000 173.8727 23 G 3.8091 7.9902 109.1648 43.7713 0.0000 175.1316 24 A 4.6862 8.1950 124.6685 52.0569 21.2503 178.7844 25 V 3.6486 7.3346 109.4734 63.9269 31.6982 178.4457 26 W 4.7076 7.7307 118.3993 59.6121 29.0590 178.4341 27 G 3.7664 8.1509 105.0492 47.0968 0.0000 175.1574 28 D 4.4089 7.6479 119.2525 56.9272 41.1679 178.4086 29 V 3.7767 8.1862 118.8987 65.5999 31.6125 177.8625 30 A 4.0145 8.2142 120.6427 55.2572 17.9759 179.5053 31 E 3.9695 7.9305 115.8775 59.3423 29.2615 179.0743 32 R 4.1280 7.6131 117.4878 58.9227 29.9819 178.4113 33 L 3.9254 7.9709 118.2852 57.3861 41.6599 178.8230 34 E 4.1805 8.0151 117.8536 57.8635 29.6302 177.6265 35 K 4.2763 6.8689 116.5788 54.9970 33.1252 174.9708 36 P 4.3616 0.0000 0.0000 62.8339 32.0816 177.9286 37 R 3.5161 8.5450 119.7174 59.2335 30.1464 179.4862 38 R 3.9878 7.8899 113.2184 58.6424 29.5180 177.3257 39 T 4.2533 7.5408 107.0414 62.4142 69.4836 174.8711 40 H 4.4090 7.7783 119.4553 55.5541 29.4589 174.5079 41 A 4.2234 8.1810 123.1367 52.0040 19.5042 176.6514 42 E 4.7953 8.8754 122.3600 54.2745 30.8589 174.1324 43 V 4.3479 8.6582 123.9845 61.0715 33.8454 174.8326 44 N 5.2487 8.5025 124.6084 51.3590 40.6124 176.2058 45 L 4.1102 8.4525 120.5553 57.9687 41.6990 180.1623 46 G 3.7114 8.1774 105.1297 47.4631 0.0000 175.2381 47 R 4.1094 7.7755 120.8871 58.9228 30.1882 178.4895 48 I 3.8521 7.5695 119.4307 64.1352 36.9844 177.7549 49 E 3.9253 7.9709 119.5416 59.0956 29.5132 178.6530 50 R 3.8109 7.3203 116.5319 59.0717 30.2961 177.2899 51 Y 4.7958 7.4363 111.9896 57.0147 38.9798 175.5174 52 A 4.7680 7.3378 123.1850 50.6316 20.9417 176.2385 53 Q 4.6573 8.0770 116.1892 53.9211 31.5403 175.1142 54 E 4.0309 8.4815 118.3291 57.8720 30.0302 177.8755 55 D 4.5254 8.8126 119.0087 54.5845 38.8048 173.2611 56 E 4.7891 7.6073 119.5732 54.3014 31.7742 175.7145 57 T 4.2710 8.4862 124.5158 63.7318 69.9769 173.7104 58 V 4.5387 8.9498 127.0250 61.9197 33.2256 174.6105 59 V 4.7067 8.8343 128.9770 61.3370 33.3259 174.3533 60 V 4.8046 9.2563 129.4996 59.1085 32.7193 174.6387 61 P 4.6496 0.0000 0.0000 61.7476 32.3497 175.0446 62 G 4.2723 6.5295 115.1802 47.0681 0.0000 173.3780 63 K 4.9190 9.3828 126.7658 54.2593 35.5238 174.2599 64 V 4.6795 8.0515 126.1378 61.5338 33.3469 175.1378 65 L 4.8370 9.3825 128.4441 52.8370 45.1013 176.5020 66 G 4.0883 8.3891 104.4889 46.4695 0.0000 173.7216 67 S 4.5919 8.3223 116.5507 58.4222 64.6217 175.4621 68 G 3.9867 9.0655 109.5858 45.1381 0.0000 172.1417 69 V 4.2934 7.8376 117.4405 60.6088 33.3064 174.3481 70 L 4.7983 8.4383 127.8448 53.5843 43.6909 175.4158 71 Q 4.4718 9.5251 125.4831 56.8193 30.5169 177.0132 72 K 4.0810 8.1060 116.5445 56.5432 32.2605 177.0503 73 D 4.9771 8.5224 123.1925 52.7324 40.1337 174.7173 74 V 4.5169 7.9456 115.6391 59.1976 36.2344 174.3750 75 T 4.8247 8.4223 119.7998 62.4412 70.1597 173.6451 76 V 4.8218 8.9249 127.8645 61.1957 33.8326 174.2176 77 A 5.9400 9.9769 130.0409 49.5944 21.5930 175.0447 78 A 4.9437 8.3482 122.6154 49.7652 22.8958 176.8352 79 V 3.6303 8.3028 118.9018 66.1283 32.1504 175.6313 80 D 4.7595 7.3825 117.1318 53.2832 44.5574 174.0566 81 F 5.4526 8.6427 120.3908 55.5136 42.9772 175.0661 82 S 4.4363 8.8992 116.8278 57.7321 64.1572 175.4412 83 G 3.7143 8.8661 107.3410 48.4634 0.0000 176.0370 84 T 4.1035 7.9066 117.0929 65.9684 68.6146 176.8439 85 A 4.0097 7.9359 122.7528 55.3399 18.5038 179.2880 86 E 3.6489 8.3709 117.7378 59.5627 29.4514 179.3245 87 T 3.8828 7.5643 114.4306 66.5798 68.4499 177.1920 88 K 3.9833 8.1766 119.1902 59.0010 32.1769 179.3779 89 I 3.9494 7.8892 120.4759 64.3956 37.0575 178.0115 90 D 4.2066 7.5053 118.9272 56.4901 40.5696 178.7565 91 Q 4.1111 7.4859 117.8640 58.5437 28.8663 177.4229 92 V 4.2983 7.7923 111.9444 62.2322 34.3710 175.0309 93 G 4.4132 8.5638 109.6175 44.5063 0.0000 174.1776 94 E 4.9443 9.8673 126.5610 54.4074 33.2604 172.5411 95 A 4.7585 8.9860 129.4812 50.5167 20.2225 176.5078 96 V 4.5718 8.9296 122.9768 60.8354 35.4581 175.2564 97 S 4.8548 8.6365 120.7725 57.6976 64.1911 175.0395 98 L 4.0010 8.4810 124.0641 58.1310 41.3236 179.3507 99 E 4.0081 7.8169 117.3162 59.0212 29.2975 179.1664 100 Q 3.8398 8.0922 118.1174 58.8582 29.0054 178.2494 101 A 4.1798 7.9704 120.9782 55.0108 18.0449 179.5522 102 I 2.9531 6.6701 116.4939 64.0088 37.2611 177.7195 103 E 4.0450 7.2638 119.0477 59.0850 29.5358 178.1548 104 N 4.6420 8.4310 116.3484 54.8608 40.3258 175.2571 105 N 5.1457 8.1795 118.1106 51.3619 39.0922 172.8884 106 P 4.6327 0.0000 0.0000 65.1422 31.9852 178.6123 107 E 4.0782 8.4951 118.7216 57.1988 29.7914 176.8005 108 G 3.2176 8.1128 106.7732 46.3087 0.0000 173.6820 109 S 4.4626 8.3971 112.6578 57.7344 65.6123 173.5962 110 H 4.0056 8.4354 117.2145 56.7352 25.7012 174.2988 111 V 4.8293 7.1382 116.2612 59.9165 35.0687 176.3688 112 R 4.4690 9.0932 125.0905 54.4033 32.0941 174.7997 113 V 4.3397 8.3673 127.3878 62.7101 32.0265 175.0531 114 I 4.7536 8.8014 128.8787 59.3543 40.5727 176.1611 115 R 4.1804 8.3891 121.7618 56.4321 29.5074 174.8085 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 S 8.33 4.44 0.00 3.99 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.55 4.07 0.00 1.86 1.79 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.45 1.45 7.81 3 T 8.37 4.37 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 4 N 7.99 4.52 0.00 2.80 2.69 0.00 0.00 7.25 7.71 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 5 P 0.00 4.33 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.26 3.98 0.00 2.00 1.97 0.00 3.12 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 7 L 7.99 4.00 0.00 1.76 1.82 0.93 1.03 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 S 7.96 4.20 0.00 4.05 3.89 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 9 S 7.81 4.14 0.00 4.01 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 10 L 7.98 3.92 0.00 1.81 1.90 0.90 0.96 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 11 I 7.84 3.74 1.87 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 1.46 0.67 0.92 0.00 0.00 12 A 7.68 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 13 D 8.52 4.27 0.00 2.73 2.63 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 14 L 7.86 3.94 0.00 1.82 1.99 0.95 0.84 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 15 K 8.06 4.18 0.00 2.01 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.58 7.81 16 S 8.36 4.13 0.00 3.97 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 17 A 7.88 4.24 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 18 A 7.64 4.38 1.50 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 0.00 0.00 19 R 7.97 4.23 0.00 1.81 2.01 0.00 3.29 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 20 S 7.56 4.48 0.00 3.93 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.56 4.64 0.00 4.28 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.46 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 0.00 0.00 0.00 0.00 23 G 7.99 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 24 A 8.19 4.69 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 25 V 7.33 3.65 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 -0.16 0.00 0.00 26 W 7.73 4.71 0.00 3.37 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.15 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.65 4.41 0.00 3.12 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 29 V 8.19 3.78 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 1.10 0.00 0.00 1.11 0.00 0.00 30 A 8.21 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.93 3.97 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 2.35 2.41 0.00 32 R 7.61 4.13 0.00 1.99 2.04 0.00 3.33 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 33 L 7.97 3.93 0.00 1.64 1.69 0.90 0.72 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 34 E 8.02 4.18 0.00 2.12 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 2.36 2.52 0.00 35 K 6.87 4.28 0.00 2.07 1.77 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.62 7.81 36 P 0.00 4.36 0.00 2.15 1.96 0.00 3.61 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 2.11 2.12 0.00 37 R 8.55 3.52 0.00 1.79 1.90 0.00 3.10 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 38 R 7.89 3.99 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 39 T 7.54 4.25 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 1.21 0.00 0.00 40 H 7.78 4.41 0.00 3.28 3.25 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.18 4.22 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 42 E 8.88 4.80 0.00 1.82 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 0.00 2.19 2.26 0.00 43 V 8.66 4.35 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 1.00 0.00 0.00 0.94 0.00 0.00 44 N 8.50 5.25 0.00 2.70 2.95 0.00 0.00 7.63 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 45 L 8.45 4.11 0.00 1.80 1.74 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.18 3.71 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 0.00 47 R 7.78 4.11 0.00 1.88 2.09 0.00 3.20 0.00 0.00 3.40 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 48 I 7.57 3.85 2.02 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 1.58 0.44 0.96 0.00 0.00 49 E 7.97 3.93 0.00 2.01 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 2.29 2.31 0.00 50 R 7.32 3.81 0.00 1.75 1.37 0.00 2.34 0.00 0.00 2.83 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.32 0.00 51 Y 7.44 4.80 0.00 3.04 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 52 A 7.34 4.77 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 53 Q 8.08 4.66 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 54 E 8.48 4.03 0.00 2.06 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 2.58 2.34 0.00 55 D 8.81 4.53 0.00 2.84 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.61 4.79 0.00 1.99 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 0.00 2.22 2.27 0.00 57 T 8.49 4.27 4.31 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 1.36 0.00 0.00 58 V 8.95 4.54 2.16 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 0.97 0.00 0.00 0.99 0.00 0.00 59 V 8.83 4.71 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 1.16 0.00 0.00 60 V 9.26 4.80 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 1.00 0.00 0.00 0.94 0.00 0.00 61 P 0.00 4.65 0.00 2.23 2.22 0.00 3.97 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 62 G 6.53 4.27 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 0.00 63 K 9.38 4.92 0.00 1.71 1.58 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.31 7.81 64 V 8.05 4.68 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 1.08 0.00 0.00 0.76 0.00 0.00 65 L 9.38 4.84 0.00 1.78 1.58 0.93 0.08 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 66 G 8.39 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 0.00 0.00 0.00 67 S 8.32 4.59 0.00 3.91 3.79 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 68 G 9.07 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 69 V 7.84 4.29 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 0.83 0.00 0.00 0.93 0.00 0.00 70 L 8.44 4.80 0.00 1.59 1.53 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.53 4.47 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 72 K 8.11 4.08 0.00 1.75 1.76 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.77 7.81 73 D 8.52 4.98 0.00 2.81 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 4.52 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 0.79 0.00 0.00 1.01 0.00 0.00 75 T 8.42 4.82 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 1.27 0.00 0.00 76 V 8.92 4.82 2.34 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 1.14 0.00 0.00 1.03 0.00 0.00 77 A 9.98 5.94 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 78 A 8.35 4.94 0.55 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 0.00 0.00 0.00 0.00 0.00 79 V 8.30 3.63 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 0.71 0.00 0.00 0.88 0.00 0.00 80 D 7.38 4.76 0.00 2.69 2.39 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 81 F 8.64 5.45 0.00 2.90 2.92 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 82 S 8.90 4.44 0.00 3.96 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 83 G 8.87 3.71 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 0.00 84 T 7.91 4.10 4.27 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 1.23 0.00 0.00 85 A 7.94 4.01 1.58 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 86 E 8.37 3.65 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 2.18 2.02 0.00 87 T 7.56 3.88 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 88 K 8.18 3.98 0.00 1.92 1.88 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.58 7.81 89 I 7.89 3.95 1.79 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.11 0.94 0.00 0.00 90 D 7.51 4.21 0.00 2.64 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 Q 7.49 4.11 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 92 V 7.79 4.30 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 0.80 0.00 0.00 1.06 0.00 0.00 93 G 8.56 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 94 E 9.87 4.94 0.00 1.98 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 2.15 2.22 0.00 95 A 8.99 4.76 0.51 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 0.00 0.00 96 V 8.93 4.57 2.14 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 1.06 0.00 0.00 0.99 0.00 0.00 97 S 8.64 4.85 0.00 4.12 4.04 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 98 L 8.48 4.00 0.00 2.02 1.67 1.08 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.82 4.01 0.00 2.11 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 2.29 2.33 0.00 100 Q 8.09 3.84 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 7.97 4.18 1.40 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 0.00 0.00 102 I 6.67 2.95 1.66 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 -0.28 0.60 0.00 0.00 103 E 7.26 4.05 0.00 1.74 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 0.00 2.30 2.31 0.00 104 N 8.43 4.64 0.00 2.74 2.90 0.00 0.00 6.71 7.63 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 0.00 105 N 8.18 5.15 0.00 2.91 3.10 0.00 0.00 6.88 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 0.00 106 P 0.00 4.63 0.00 2.29 2.29 0.00 3.90 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 107 E 8.50 4.08 0.00 2.17 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 2.43 2.41 0.00 108 G 8.11 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 0.00 0.00 0.00 109 S 8.40 4.46 0.00 3.96 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 0.00 110 H 8.44 4.01 0.00 3.34 3.34 0.00 5.56 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.14 4.83 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 0.41 0.00 0.00 0.87 0.00 0.00 112 R 9.09 4.47 0.00 2.00 1.83 0.00 3.12 0.00 0.00 3.07 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 113 V 8.37 4.34 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 0.85 0.00 0.00 0.85 0.00 0.00 114 I 8.80 4.75 1.91 0.00 0.00 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 1.32 1.25 0.99 0.00 0.00 115 R 8.39 4.18 0.00 1.84 1.81 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00