NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.8204 8.4093 118.1220 52.3480 41.0008 173.6371 2 F 4.9140 7.1307 112.3499 55.6546 41.2880 171.0862 3 M 4.7818 10.0430 120.5547 53.7083 35.9414 176.1473 4 L 5.3610 8.4826 120.6147 53.4099 44.5056 175.3368 5 T 4.8964 9.0588 115.3850 60.0534 70.9907 173.6686 6 Q 5.4520 8.8478 123.3913 52.0752 32.7702 173.5415 7 P 4.4802 0.0000 0.0000 61.9324 32.3547 175.6129 8 P 4.7698 0.0000 0.0000 65.5715 32.2806 175.8195 9 S 5.5733 7.9873 112.3521 55.9950 66.5193 173.8506 *11 V 4.1744 8.2015 119.3070 62.0191 32.7266 174.3685 12 S 5.5807 8.1952 115.1510 56.9849 66.2326 172.2859 13 E 4.7106 8.2885 119.5042 55.6228 32.8568 174.5564 14 S 4.7810 8.8103 120.2246 56.9576 64.5907 172.4227 15 P 4.3209 0.0000 0.0000 64.3891 31.4860 177.4309 16 G 3.8812 9.3123 110.5189 45.3711 0.0000 173.6368 17 K 4.4181 7.4086 119.7269 55.7826 34.6757 175.2318 18 T 5.1504 8.2405 117.1238 61.9924 70.7017 174.7958 19 V 4.4878 8.5232 124.4170 60.1219 34.9705 174.4549 20 T 4.8754 8.4153 118.6540 61.7819 71.6236 173.2523 21 I 4.5615 8.4114 126.7269 59.4932 39.5602 175.0846 22 S 5.2233 8.7241 121.7029 57.4772 65.8173 173.7798 23 C 5.3467 9.5187 121.2617 55.5629 43.5405 172.5501 24 T 5.0784 9.0274 123.9769 61.7242 70.7849 173.5408 25 R 4.8062 8.5861 127.9503 55.7229 30.2505 176.5962 26 S 4.5549 9.0218 122.1898 61.0277 63.8089 174.7640 27 S 4.4731 8.0073 112.3078 57.7280 65.4545 174.5169 27A G 3.9313 8.5862 108.3297 45.1081 0.0000 172.8904 28A S 4.4199 8.0202 113.3500 57.2675 62.8090 174.6115 28 I 3.4307 9.0131 128.0993 64.1553 37.7114 176.9079 29 A 4.1231 7.5750 119.7730 52.9040 18.6192 178.4155 30 S 4.2413 7.7361 112.2707 60.8277 63.1153 174.3855 31 N 5.0139 7.3220 115.0614 51.2977 42.6253 173.9424 32 Y 4.6086 8.4820 118.3791 58.3788 38.9582 175.0302 33 V 4.5763 9.4015 123.6141 61.4992 33.9416 174.6248 34 Q 5.1212 9.0094 126.1752 53.8902 32.4025 174.4657 35 W 5.4097 9.0112 121.0969 55.2068 33.1263 174.1042 36 Y 5.3457 9.4036 120.7580 56.3542 41.3424 174.1960 37 Q 4.6933 9.4400 124.7039 54.4536 31.7110 174.0350 38 Q 4.7759 8.7532 126.8976 54.5104 32.2407 174.3583 39 R 4.6796 8.5304 125.3147 54.3616 32.3197 174.4500 40 P 4.3873 0.0000 0.0000 64.3831 31.6437 177.2580 41 G 3.9369 9.0764 110.9617 45.4206 0.0000 172.6677 42 S 4.7695 7.6050 114.6561 56.1811 65.9262 173.7078 43 S 4.4819 8.1791 116.2067 56.8663 63.9582 172.1499 44 P 4.6767 0.0000 0.0000 63.0766 32.0595 176.0638 45 T 4.7171 9.1186 120.5678 61.7271 71.3475 173.7005 46 T 4.2004 8.9087 123.8247 64.3090 68.2953 174.4128 47 V 4.1328 8.6762 120.0192 62.1494 33.5381 176.6388 48 I 5.0870 7.6151 119.8695 59.7646 41.6764 173.9049 49 Y 5.0048 8.4173 123.1615 54.8440 41.9828 174.3968 50 E 3.0464 9.9067 117.2096 57.5177 27.6996 175.5932 51 D 5.1875 9.5953 125.4035 55.2824 40.6994 176.8899 52 N 4.9528 7.6408 109.7191 53.2407 39.0546 173.4064 53 Q 4.1772 7.9922 119.4167 54.7064 29.8847 174.8726 54 R 4.7644 8.1336 121.8268 54.2054 31.5815 174.8668 55 P 4.6773 0.0000 0.0000 61.9086 32.1774 175.6732 56 S 4.2812 8.4440 114.9488 60.1571 62.4916 174.6858 57 G 3.9508 9.0510 116.0723 45.1144 0.0000 173.1517 58 V 3.9342 7.3227 120.3325 60.9069 32.3606 174.0402 59 P 4.5496 0.0000 0.0000 62.5740 31.9077 176.6169 60 D 4.6356 8.6060 118.1104 54.5448 39.6713 177.2763 61 R 3.9632 8.0826 120.3596 59.0739 31.2661 176.2211 62 F 5.0414 8.2435 118.4351 56.2735 39.8519 175.8996 63 S 4.7238 9.0243 117.9037 56.5344 66.6500 173.1837 64 G 4.6084 8.8155 107.7021 43.9811 0.0000 171.9989 65 S 4.9020 8.5770 114.3928 57.1704 67.0051 172.9161 66 I 4.9766 8.2810 120.3214 59.6278 40.7696 174.9899 66A D 4.7712 9.2842 126.1426 52.1769 42.8738 176.1270 67A S 4.1771 8.8148 122.2294 61.1627 63.2805 177.2212 67 S 4.1430 8.0471 114.9004 60.6738 63.0568 174.8230 68 S 4.4295 8.0055 113.2308 57.2222 63.3132 173.1530 69 N 4.1656 7.9839 118.7998 55.1118 37.8500 173.1259 70 S 5.4014 8.0261 108.6916 56.2306 67.0189 172.6407 71 A 5.3667 9.0620 122.3844 50.5118 22.2779 175.6617 72 S 5.2313 9.2132 115.1428 56.6570 67.3855 172.8562 73 L 4.3165 7.6547 125.2929 53.4134 43.8504 174.9695 74 T 4.7242 8.5699 123.5110 61.7539 71.2279 173.2822 75 I 4.4525 8.2850 127.8711 59.4952 39.1747 175.4418 76 S 4.6249 8.4270 122.4473 56.1161 65.2756 173.8189 77 G 3.9032 8.3510 106.1608 45.6736 0.0000 174.3207 78 L 3.9558 7.6721 117.4641 55.2447 42.7278 177.5769 79 K 4.9456 8.8887 122.2835 54.2970 35.0191 177.5462 80 T 3.9524 8.3846 111.1999 64.5285 68.8267 176.1354 81 E 4.1524 8.1206 118.7677 58.4126 29.8404 177.5490 82 D 4.6495 8.0489 119.2126 56.4128 41.1738 176.0906 83 E 4.2569 7.8303 120.5643 57.0542 30.0126 176.2129 84 A 4.3248 8.0394 127.5578 51.9607 23.6336 174.3941 85 D 4.9995 8.0897 119.0047 54.0168 42.7057 175.7613 86 Y 5.2873 8.7980 119.7362 56.4720 41.2924 174.1863 87 Y 5.5194 9.3030 121.7105 56.4137 41.3655 172.9530 88 C 4.4181 8.9195 117.8533 54.7148 41.3660 172.1034 89 Q 4.6702 7.8075 118.4443 55.5999 32.7093 173.1146 90 S 4.2958 8.3272 119.9821 56.6880 66.1657 171.2945 91 Y 5.3530 8.4849 114.5269 56.2705 41.1387 176.4718 92 D 4.5283 8.2390 124.8504 56.1567 41.1159 177.1351 93 S 4.8380 8.8194 120.0463 58.8766 60.5876 171.3811 94 S 3.4479 7.9956 113.5756 59.8928 63.3353 173.7061 95 N 3.8496 6.7107 114.9798 51.1495 38.4328 172.6098 95A H 4.8067 8.1363 118.0939 55.2059 33.1368 173.6405 96 V 4.0619 8.6391 115.5743 61.0439 32.7702 175.6889 97 V 4.2169 8.1668 124.1865 61.0898 34.0022 174.0935 98 F 4.9643 8.7589 126.5230 55.6965 40.7009 176.0622 99 G 4.1532 9.0101 110.9959 45.7896 0.0000 174.0285 100 G 3.8507 8.8067 108.5643 46.6359 0.0000 174.8877 101 G 3.7846 8.3136 107.4350 45.0599 0.0000 173.0714 102 T 4.8880 8.5146 118.3104 60.2545 71.8331 173.0257 103 K 4.5390 9.0252 129.2184 55.6868 33.3023 175.0090 104 L 5.0254 8.9854 130.5835 53.9880 44.0382 174.8872 105 T 4.8814 8.5826 123.4740 61.9035 70.8664 173.6709 106 V 4.4554 8.6574 127.2593 61.4677 32.4666 175.7568 107 L 4.2833 8.7466 127.8467 55.0644 41.1111 177.0742 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 N 8.41 4.82 0.00 2.63 2.87 0.00 0.00 6.72 6.56 0.00 0.00 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 F 7.13 4.91 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 3 M 10.04 4.78 0.00 2.01 2.05 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 4 L 8.48 5.36 0.00 1.62 1.60 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.06 4.90 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 6 Q 8.85 5.45 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.97 0.00 0.00 0.00 0.00 0.00 2.59 2.26 0.00 7 P 0.00 4.48 0.00 2.24 2.21 0.00 3.90 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 2.12 1.99 0.00 8 P 0.00 4.77 0.00 2.16 2.38 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 9 S 7.99 5.57 0.00 3.87 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 *11 V 8.20 4.17 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 0.73 0.00 0.00 0.89 0.00 0.00 12 S 8.20 5.58 0.00 3.88 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 13 E 8.29 4.71 0.00 2.02 1.71 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 2.33 2.31 0.00 14 S 8.81 4.78 0.00 3.78 3.74 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 15 P 0.00 4.32 0.00 2.02 1.99 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 16 G 9.31 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 K 7.41 4.42 0.00 1.71 1.72 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.64 7.81 18 T 8.24 5.15 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 1.15 0.00 0.00 19 V 8.52 4.49 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 0.53 0.00 0.00 0.84 0.00 0.00 20 T 8.42 4.88 4.16 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 0.00 0.00 0.00 1.11 0.00 0.00 21 I 8.41 4.56 1.56 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.51 1.11 0.00 0.00 22 S 8.72 5.22 0.00 3.98 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 23 C 9.52 5.35 0.00 3.06 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 24 T 9.03 5.08 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 1.29 0.00 0.00 25 R 8.59 4.81 0.00 1.70 1.71 0.00 2.42 0.00 0.00 2.95 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.15 0.00 26 S 9.02 4.55 0.00 3.99 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 27 S 8.01 4.47 0.00 3.97 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 27A G 8.59 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 28A S 8.02 4.42 0.00 3.81 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 28 I 9.01 3.43 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.03 0.89 0.00 0.00 29 A 7.57 4.12 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 30 S 7.74 4.24 0.00 3.88 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 31 N 7.32 5.01 0.00 2.58 2.85 0.00 0.00 7.04 7.34 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 32 Y 8.48 4.61 0.00 3.19 3.06 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 0.00 0.00 0.00 33 V 9.40 4.58 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 0.49 0.00 0.00 0.91 0.00 0.00 34 Q 9.01 5.12 0.00 2.01 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 35 W 9.01 5.41 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 36 Y 9.40 5.35 0.00 3.22 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 37 Q 9.44 4.69 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.07 1.75 0.00 38 Q 8.75 4.78 0.00 2.25 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.66 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 39 R 8.53 4.68 0.00 1.80 1.82 0.00 3.20 0.00 0.00 3.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 40 P 0.00 4.39 0.00 2.04 2.01 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 41 G 9.08 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 42 S 7.60 4.77 0.00 4.00 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 43 S 8.18 4.48 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 44 P 0.00 4.68 0.00 1.77 1.98 0.00 3.52 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 45 T 9.12 4.72 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 1.21 0.00 0.00 46 T 8.91 4.20 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 1.27 0.00 0.00 47 V 8.68 4.13 1.78 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 0.28 0.00 0.00 1.18 0.00 0.00 48 I 7.62 5.09 2.20 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 1.47 1.08 1.04 0.00 0.00 49 Y 8.42 5.00 0.00 2.99 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 50 E 9.91 3.05 0.00 1.63 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 1.47 1.91 0.00 51 D 9.60 5.19 0.00 2.94 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 52 N 7.64 4.95 0.00 2.78 2.94 0.00 0.00 5.97 7.39 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 53 Q 7.99 4.18 0.00 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.91 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 54 R 8.13 4.76 0.00 1.79 1.88 0.00 3.50 0.00 0.00 3.58 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 55 P 0.00 4.68 0.00 2.23 2.03 0.00 3.71 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 56 S 8.44 4.28 0.00 3.85 3.80 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 57 G 9.05 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 0.00 0.00 0.00 58 V 7.32 3.93 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 0.69 0.00 0.00 0.84 0.00 0.00 59 P 0.00 4.55 0.00 2.39 2.25 0.00 3.76 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.11 0.00 60 D 8.61 4.64 0.00 2.80 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 61 R 8.08 3.96 0.00 1.66 1.93 0.00 3.22 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 62 F 8.24 5.04 0.00 3.00 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 63 S 9.02 4.72 0.00 3.80 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 64 G 8.82 4.61 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 65 S 8.58 4.90 0.00 3.88 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 66 I 8.28 4.98 1.91 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 1.31 1.02 0.98 0.00 0.00 66A D 9.28 4.77 0.00 2.73 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 67A S 8.81 4.18 0.00 4.03 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 67 S 8.05 4.14 0.00 4.00 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 68 S 8.01 4.43 0.00 3.96 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 69 N 7.98 4.17 0.00 2.99 2.84 0.00 0.00 6.68 6.92 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 70 S 8.03 5.40 0.00 4.08 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 71 A 9.06 5.37 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.21 5.23 0.00 3.71 3.62 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 73 L 7.65 4.32 0.00 0.27 0.13 0.64 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.57 4.72 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 1.07 0.00 0.00 75 I 8.28 4.45 1.49 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.23 0.17 0.00 0.00 76 S 8.43 4.62 0.00 3.78 3.74 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 77 G 8.35 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 78 L 7.67 3.96 0.00 1.75 1.60 0.92 0.73 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 79 K 8.89 4.95 0.00 1.81 1.69 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.48 7.81 80 T 8.38 3.95 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 1.22 0.00 0.00 81 E 8.12 4.15 0.00 2.15 2.17 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 2.34 2.42 0.00 82 D 8.05 4.65 0.00 2.89 2.91 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 83 E 7.83 4.26 0.00 1.97 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 0.00 2.36 2.52 0.00 84 A 8.04 4.32 1.09 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 85 D 8.09 5.00 0.00 2.67 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 0.00 0.00 0.00 86 Y 8.80 5.29 0.00 2.99 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 87 Y 9.30 5.52 0.00 3.35 3.17 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 88 C 8.92 4.42 0.00 1.92 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 0.00 0.00 0.00 89 Q 7.81 4.67 0.00 1.62 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.49 0.00 0.00 0.00 0.00 0.00 1.63 1.16 0.00 90 S 8.33 4.30 0.00 3.85 3.80 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 91 Y 8.48 5.35 0.00 3.04 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 92 D 8.24 4.53 0.00 2.91 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 93 S 8.82 4.84 0.00 4.08 4.55 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 94 S 8.00 3.45 0.00 3.88 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 0.00 95 N 6.71 3.85 0.00 2.74 2.85 0.00 0.00 6.90 7.89 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 95A H 8.14 4.81 0.00 3.37 3.08 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.64 4.06 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 0.73 0.00 0.00 0.77 0.00 0.00 97 V 8.17 4.22 1.76 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 0.76 0.00 0.00 0.27 0.00 0.00 98 F 8.76 4.96 0.00 2.90 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 99 G 9.01 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 0.00 0.00 0.00 0.00 100 G 8.81 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 0.00 101 G 8.31 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 0.00 102 T 8.51 4.89 4.36 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 1.29 0.00 0.00 103 K 9.03 4.54 0.00 2.03 1.84 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.45 7.81 104 L 8.99 5.03 0.00 1.91 1.96 0.89 0.44 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 0.00 105 T 8.58 4.88 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 0.00 106 V 8.66 4.46 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 0.75 0.00 0.00 1.03 0.00 0.00 107 L 8.75 4.28 0.00 1.54 1.56 0.91 0.71 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 * Residues marked with a * may have inaccurate shift predictions.