NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3357 8.3144 122.1419 55.0677 33.5038 174.0617 2 E 4.4718 8.1722 114.6374 54.2120 32.3693 174.3347 3 T 4.2325 8.7883 118.6222 61.1413 72.1249 174.8355 4 A 3.9969 8.5352 122.9958 55.2991 18.4584 179.9071 5 A 4.1106 7.9723 118.5689 55.3952 18.6174 179.6282 6 A 4.0414 7.9340 119.0574 54.9523 18.4189 179.8377 7 K 3.9152 8.3560 118.5528 59.5224 32.2161 178.8304 8 F 4.0874 8.4921 121.0531 61.3546 39.3550 176.8308 9 E 3.9561 8.2954 117.9618 59.4352 29.0558 179.3612 10 R 3.8600 7.7814 117.3547 59.6918 30.2821 178.3060 11 Q 3.8981 7.8029 116.1004 57.9125 28.9711 176.3351 12 H 4.4859 7.8073 114.5042 54.1161 31.7259 173.4270 13 M 4.7633 7.8614 118.5224 53.9633 33.2826 176.7830 14 D 4.8392 8.9240 122.9423 53.3735 41.6891 175.6557 15 S 4.4647 8.4247 116.1823 59.7501 63.9034 175.9189 16 S 4.2935 8.4169 116.7262 60.7749 62.7872 174.5574 17 T 4.6393 7.5707 108.5176 59.4782 70.6367 174.4244 18 S 4.1759 8.5516 117.8971 60.3528 63.5590 172.9874 19 A 4.0317 6.9315 121.5552 50.8808 21.5214 175.0778 20 A 3.1989 8.0698 121.8769 51.7240 17.6526 177.4938 21 S 4.1721 8.0485 117.5378 61.8579 62.8829 174.7144 22 S 4.5603 7.5983 113.3399 56.4793 65.2208 175.0553 23 S 4.1409 8.6890 114.7709 61.4868 62.8334 176.0647 24 N 4.5215 8.2104 117.8267 55.4285 38.2095 175.9306 25 Y 4.0586 8.1209 121.7877 61.5025 38.7615 177.7446 26 C 4.0637 8.8263 117.0398 60.0676 38.6420 175.9750 27 N 4.4214 8.1655 117.4837 56.4606 38.0878 177.3876 28 Q 3.8429 7.8134 118.8909 59.1640 28.8019 178.5957 29 M 3.6403 7.7404 119.9734 58.5047 31.8295 178.7132 30 M 3.9343 8.1798 119.1743 58.0279 31.9270 178.8848 31 K 4.0161 7.4684 120.6294 58.9781 32.3044 178.5899 32 S 4.0745 7.8427 112.1401 61.5398 62.2604 175.6135 33 R 4.2633 7.9161 117.2785 55.5544 29.9778 176.1560 34 N 4.2893 8.1501 115.4058 54.4978 36.0776 174.9910 35 L 4.4235 8.0293 117.3977 55.5288 42.2308 177.5162 36 T 4.9897 7.5092 109.2522 60.2720 69.2276 175.6178 37 K 4.2468 8.3881 124.1082 58.5478 33.1573 176.1622 38 D 4.8238 8.0024 115.6148 53.2085 42.5883 175.4697 39 R 3.4911 7.1543 115.3336 56.0135 30.7326 173.6156 40 C 4.8523 8.6085 116.0422 55.3504 40.0517 173.9680 41 K 4.1404 8.2789 126.4738 55.9359 32.3202 174.4914 42 P 4.6163 0.0000 0.0000 65.5051 31.9710 176.5694 43 V 5.0358 7.5622 109.2496 60.0177 35.8560 174.3562 44 N 4.7017 8.8323 119.7154 52.9199 42.6215 173.1307 45 T 4.9327 7.9482 121.2912 61.6738 71.8047 172.7788 46 F 4.7135 8.9546 124.4258 55.6079 42.1476 174.6109 47 V 4.5199 9.1029 123.4741 60.9599 33.2727 176.0526 48 H 5.9879 8.5990 129.1271 54.9101 26.7868 173.7764 49 E 4.8383 7.7793 116.4846 53.4508 34.1306 177.0179 50 S 4.3595 8.3198 114.9283 58.0702 65.0184 174.7550 51 L 3.9511 8.6247 125.0264 58.6735 41.8491 179.2518 52 A 4.0037 8.0617 119.8884 55.4356 18.0715 179.2109 53 D 4.3371 7.6583 116.3111 57.4770 41.2809 178.8669 54 V 3.8105 7.9419 118.8951 65.9909 31.5353 178.1824 55 Q 3.9167 8.4212 117.8724 58.7379 28.5487 178.3942 56 A 4.0231 8.0073 121.4826 54.7212 18.2288 179.6753 57 V 3.5675 7.5793 116.6447 65.8805 31.3167 177.0808 58 C 3.8082 7.9655 115.3489 58.2058 39.9237 174.2214 59 S 4.6178 7.3948 113.8801 57.9587 63.8152 174.8505 60 Q 4.4657 7.5231 124.6114 56.0297 27.2733 177.1429 61 K 4.1835 7.8189 129.1523 57.1207 32.9934 175.6988 62 N 4.4965 8.8029 127.4674 53.5420 39.2715 174.3210 63 V 4.5919 8.3969 118.3366 59.1608 36.8181 174.7405 64 A 4.2907 8.3711 124.9449 52.2588 19.0347 178.5497 65 C 4.7103 8.9242 120.0160 56.0469 41.1601 175.3413 66 K 3.6550 8.7284 121.7499 59.2753 31.6632 177.9356 67 N 4.5919 8.1079 113.9108 52.6243 37.5736 175.8421 68 G 3.9377 8.2720 108.8815 45.6255 0.0000 174.2652 69 Q 4.2269 8.6114 119.4580 56.1892 29.2980 176.4210 70 T 4.4421 8.2740 107.8028 61.6490 69.2696 173.9105 71 N 4.9515 7.7856 119.0632 54.0155 38.3513 174.9273 72 C 5.4515 7.3819 115.7600 56.6816 43.7243 173.0542 73 Y 5.1346 8.7731 118.5925 56.3735 42.2453 173.9008 74 Q 5.1189 9.1810 125.3751 54.1461 31.4280 174.8177 75 S 4.5105 8.4997 121.4283 58.4988 63.2593 174.2562 76 Y 4.3611 9.1110 121.8117 60.5770 37.9164 176.6743 77 S 4.8743 7.8295 114.0054 56.7729 65.0870 173.7143 78 T 4.2633 8.0730 112.2610 62.0971 69.8655 173.5280 79 M 5.0463 9.0607 121.8318 53.4912 37.0204 174.4284 80 S 4.9754 9.0939 116.5165 58.0303 63.7034 173.1319 81 I 5.1938 8.8004 119.7244 59.6173 41.7912 174.0466 82 T 5.0955 8.8832 119.0893 62.0010 72.1181 172.7465 83 D 5.0192 9.5426 127.1315 53.2858 43.0674 174.7051 84 C 5.5539 9.2694 121.5909 55.2915 41.0263 172.9678 85 R 5.3453 8.8800 123.5418 54.0836 33.3433 173.8976 86 E 4.1338 8.6210 127.1070 57.2448 30.5177 176.2926 87 T 4.4302 8.1681 115.8934 59.8465 71.3977 175.9005 88 G 3.6052 8.6265 110.6863 48.4631 0.0000 175.2233 89 S 4.1472 7.4211 112.9093 59.5863 63.2165 174.1928 90 S 4.1251 7.4852 116.3975 58.5224 62.2450 173.5253 91 K 4.5024 8.7793 127.4160 54.3737 34.9778 175.5299 92 Y 4.2877 8.7418 125.6537 57.3742 39.1188 173.9937 93 P 3.1990 0.0000 0.0000 62.9836 32.0806 176.9692 94 N 4.6351 8.1584 120.0772 52.1333 36.9741 173.1699 95 C 4.6875 7.9265 117.2608 56.5603 37.7984 173.2046 96 A 5.0980 8.8050 124.9173 50.4474 21.9978 174.5994 97 Y 5.1211 9.2142 117.7357 56.1252 42.7635 174.6655 98 K 4.5892 9.5748 124.0767 55.2160 34.2297 175.2262 99 T 4.9057 8.6063 124.4971 63.3733 69.8336 174.5394 100 T 4.5876 8.8566 122.2486 62.1553 72.5981 172.7845 101 Q 4.9664 8.6896 127.6460 55.2799 30.9355 174.0102 102 A 4.4950 8.3678 125.0062 51.5997 23.7346 174.8235 103 N 5.6961 8.6676 115.8210 50.8959 40.9641 174.3218 104 K 4.7323 8.3112 121.9487 54.8919 37.6311 175.2037 105 H 4.9067 9.5777 118.7590 55.5734 30.2158 175.0656 106 I 4.8735 8.2810 114.3896 59.2813 40.9694 174.3750 107 I 4.9926 8.2065 124.0943 59.7123 40.2228 175.0677 108 V 4.7439 8.5511 119.2516 59.3631 36.0115 174.4188 109 A 5.0336 8.7984 125.0612 51.0548 20.7122 175.7093 110 C 5.2607 8.5932 118.7306 55.2479 38.8152 173.1711 111 E 4.6944 8.5428 118.1028 56.3716 32.9299 175.0054 112 G 4.1288 9.7528 106.4002 44.6831 0.0000 171.8120 113 N 4.7111 8.1471 116.2112 50.7713 40.2692 172.2815 114 P 4.3675 0.0000 0.0000 62.6294 32.0212 175.6805 115 Y 4.8160 8.2731 120.7643 56.9026 38.8209 174.6142 116 V 4.4694 8.1187 119.4001 58.3840 36.5174 173.4923 117 P 4.4160 0.0000 0.0000 62.8368 31.1088 176.9241 118 V 4.4338 8.3452 116.0870 61.2492 33.8403 175.2814 119 H 4.9921 7.7019 119.2786 55.0407 33.3330 171.7507 120 F 4.6435 8.9107 128.2031 57.8490 39.6128 174.0823 121 D 4.5714 8.4906 126.4231 55.6641 42.0884 175.6572 122 A 4.6318 6.6364 117.2431 51.3285 22.7156 174.4552 123 S 5.0861 8.5996 112.6953 56.9056 66.4099 174.7339 124 V 4.1520 8.8764 114.8724 61.7703 32.6926 175.1935 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 K 8.31 4.34 0.00 1.79 1.72 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 2 E 8.17 4.47 0.00 1.97 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 2.22 2.38 0.00 3 T 8.79 4.23 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 4 A 8.54 4.00 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 5 A 7.97 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 6 A 7.93 4.04 1.38 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 7 K 8.36 3.92 0.00 1.97 2.09 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 8 F 8.49 4.09 0.00 3.18 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 9 E 8.30 3.96 0.00 2.31 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 2.49 2.71 0.00 10 R 7.78 3.86 0.00 1.81 2.08 0.00 3.37 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 11 Q 7.80 3.90 0.00 1.44 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.50 0.00 0.00 0.00 0.00 0.00 2.24 2.52 0.00 12 H 7.81 4.49 0.00 1.88 2.63 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.86 4.76 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.66 0.00 14 D 8.92 4.84 0.00 2.82 2.59 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 0.00 0.00 0.00 0.00 15 S 8.42 4.46 0.00 3.94 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 16 S 8.42 4.29 0.00 3.99 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 17 T 7.57 4.64 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 1.21 0.00 0.00 18 S 8.55 4.18 0.00 3.97 4.01 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 19 A 6.93 4.03 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 20 A 8.07 3.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.05 4.17 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.60 4.56 0.00 4.00 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 23 S 8.69 4.14 0.00 4.03 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 24 N 8.21 4.52 0.00 2.78 2.91 0.00 0.00 6.75 7.48 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 25 Y 8.12 4.06 0.00 3.12 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 26 C 8.83 4.06 0.00 3.11 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 N 8.17 4.42 0.00 2.90 2.90 0.00 0.00 7.15 7.74 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 28 Q 7.81 3.84 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 29 M 7.74 3.64 0.00 0.79 1.13 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.70 0.00 30 M 8.18 3.93 0.00 1.60 1.83 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.31 0.00 31 K 7.47 4.02 0.00 2.02 1.87 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.29 7.81 32 S 7.84 4.07 0.00 3.99 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 33 R 7.92 4.26 0.00 1.94 2.05 0.00 3.68 0.00 0.00 3.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.09 0.00 34 N 8.15 4.29 0.00 2.84 2.93 0.00 0.00 6.91 7.43 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 35 L 8.03 4.42 0.00 1.80 1.63 0.80 0.36 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 36 T 7.51 4.99 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 1.44 0.00 0.00 37 K 8.39 4.25 0.00 1.77 1.90 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.49 7.81 38 D 8.00 4.82 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.15 3.49 0.00 1.84 1.80 0.00 2.88 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.40 0.00 40 C 8.61 4.85 0.00 3.16 3.29 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 41 K 8.28 4.14 0.00 1.88 1.78 0.00 1.78 0.00 0.00 1.63 0.00 0.00 3.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.44 7.81 42 P 0.00 4.62 0.00 2.16 2.13 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 43 V 7.56 5.04 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 0.74 0.00 0.00 0.96 0.00 0.00 44 N 8.83 4.70 0.00 2.65 2.37 0.00 0.00 7.14 6.81 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 45 T 7.95 4.93 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 0.84 0.00 0.00 46 F 8.95 4.71 0.00 2.96 2.87 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 47 V 9.10 4.52 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 1.00 0.00 0.00 48 H 8.60 5.99 0.00 3.05 3.46 0.00 5.61 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.78 4.84 0.00 1.96 1.86 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 2.25 2.25 0.00 50 S 8.32 4.36 0.00 4.07 4.02 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 51 L 8.62 3.95 0.00 1.82 1.76 1.01 0.96 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 52 A 8.06 4.00 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 53 D 7.66 4.34 0.00 2.80 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 54 V 7.94 3.81 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 1.22 0.00 0.00 1.04 0.00 0.00 55 Q 8.42 3.92 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 56 A 8.01 4.02 1.43 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 0.00 0.00 0.00 57 V 7.58 3.57 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 1.07 0.00 0.00 0.95 0.00 0.00 58 C 7.97 3.81 0.00 2.90 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 59 S 7.39 4.62 0.00 3.96 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 60 Q 7.52 4.47 0.00 1.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 61 K 7.82 4.18 0.00 1.64 1.65 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.46 7.81 62 N 8.80 4.50 0.00 2.81 2.67 0.00 0.00 7.00 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 63 V 8.40 4.59 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 0.65 0.00 0.00 0.79 0.00 0.00 64 A 8.37 4.29 1.19 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 0.00 0.00 65 C 8.92 4.71 0.00 3.07 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.73 3.66 0.00 1.76 1.88 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.59 7.81 67 N 8.11 4.59 0.00 2.81 2.89 0.00 0.00 6.25 7.00 0.00 0.00 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 8.27 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 0.00 0.00 0.00 69 Q 8.61 4.23 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 70 T 8.27 4.44 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 1.17 0.00 0.00 71 N 7.79 4.95 0.00 3.08 3.16 0.00 0.00 6.03 7.68 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 72 C 7.38 5.45 0.00 2.86 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 73 Y 8.77 5.13 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 9.18 5.12 0.00 1.99 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 75 S 8.50 4.51 0.00 3.94 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 76 Y 9.11 4.36 0.00 3.03 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 77 S 7.83 4.87 0.00 3.90 3.82 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 78 T 8.07 4.26 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 1.07 0.00 0.00 79 M 9.06 5.05 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 80 S 9.09 4.98 0.00 3.94 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 81 I 8.80 5.19 1.93 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 1.28 0.77 0.99 0.00 0.00 82 T 8.88 5.10 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 1.33 0.00 0.00 83 D 9.54 5.02 0.00 2.60 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 84 C 9.27 5.55 0.00 2.94 2.87 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 85 R 8.88 5.35 0.00 1.96 1.79 0.00 3.16 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 86 E 8.62 4.13 0.00 1.90 1.80 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 2.23 2.10 0.00 87 T 8.17 4.43 4.21 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 1.19 0.00 0.00 88 G 8.63 3.61 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 0.00 0.00 0.00 89 S 7.42 4.15 0.00 3.79 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 90 S 7.49 4.13 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 91 K 8.78 4.50 0.00 1.76 1.65 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.49 7.81 92 Y 8.74 4.29 0.00 2.92 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 93 P 0.00 3.20 0.00 1.79 1.33 0.00 3.67 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 94 N 8.16 4.64 0.00 2.85 2.75 0.00 0.00 7.00 7.55 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 95 C 7.93 4.69 0.00 3.12 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.81 5.10 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 97 Y 9.21 5.12 0.00 2.83 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 98 K 9.57 4.59 0.00 1.80 1.83 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.43 7.81 99 T 8.61 4.91 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 1.35 0.00 0.00 100 T 8.86 4.59 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 1.23 0.00 0.00 101 Q 8.69 4.97 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 102 A 8.37 4.50 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 0.00 103 N 8.67 5.70 0.00 2.57 2.74 0.00 0.00 7.04 7.61 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 0.00 104 K 8.31 4.73 0.00 1.70 1.83 0.00 1.70 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 105 H 9.58 4.91 0.00 3.12 3.21 0.00 5.57 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 0.00 106 I 8.28 4.87 1.91 0.00 0.00 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 1.27 0.89 1.12 0.00 0.00 107 I 8.21 4.99 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.51 0.82 0.00 0.00 108 V 8.55 4.74 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 0.71 0.00 0.00 0.81 0.00 0.00 109 A 8.80 5.03 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 0.00 110 C 8.59 5.26 0.00 1.93 1.72 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.54 4.69 0.00 2.08 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 2.13 2.23 0.00 112 G 9.75 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 0.00 113 N 8.15 4.71 0.00 2.63 2.71 0.00 0.00 6.90 7.69 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 0.00 114 P 0.00 4.37 0.00 2.24 2.06 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 115 Y 8.27 4.82 0.00 2.80 2.88 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 0.00 116 V 8.12 4.47 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 0.86 0.00 0.00 117 P 0.00 4.42 0.00 0.61 1.14 0.00 3.38 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 118 V 8.35 4.43 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 0.63 0.00 0.00 0.96 0.00 0.00 119 H 7.70 4.99 0.00 3.31 3.09 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.91 4.64 0.00 2.73 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 0.00 121 D 8.49 4.57 0.00 2.56 2.53 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 0.00 122 A 6.64 4.63 1.15 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 0.00 0.00 123 S 8.60 5.09 0.00 4.07 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 0.00 124 V 8.88 4.15 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 0.74 0.00 0.00 0.93 0.00 0.00