NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9707 8.3549 108.0254 46.5338 0.0000 172.5471 4 M 4.6446 8.5837 126.5515 52.0415 35.1192 173.6289 5 R 4.5223 8.5702 123.2834 55.8859 32.4745 174.7756 6 V 4.8177 8.5844 125.8679 61.3605 34.7537 173.6434 7 Y 4.8447 9.0508 126.7674 57.3720 39.3535 174.5445 8 L 5.3410 9.3286 124.8067 52.9613 45.1016 175.8607 9 G 4.6646 9.0217 108.8442 44.7943 0.0000 171.2181 10 A 5.7367 9.0006 123.4959 50.9503 23.5874 176.4741 11 D 4.6231 8.5777 120.1255 52.3118 41.7193 176.5480 12 H 4.1155 9.0675 114.4899 59.1365 27.7957 177.1855 13 A 4.3326 7.9364 121.7891 53.6016 18.5850 178.4617 14 G 4.0088 7.9083 102.1257 44.5951 0.0000 174.6724 15 Y 4.0346 7.7027 123.2445 60.6501 38.7568 177.6945 16 E 3.7246 8.2375 119.7544 59.0640 29.8023 178.3104 17 L 3.8839 7.8015 119.9624 57.8484 42.2043 178.3206 18 K 3.7580 8.1485 119.8936 59.9838 32.1570 178.6716 19 Q 3.9141 7.6757 117.8137 58.9007 28.5354 179.0058 20 R 3.9331 7.7270 119.0242 59.2044 30.0813 179.1902 21 I 3.7653 8.0331 120.0943 64.2653 37.1052 178.3580 22 I 3.6780 8.1019 121.1750 64.4218 36.9173 178.0950 23 E 3.8996 8.0443 119.5732 59.5190 29.5371 178.1467 24 H 4.1152 8.2978 118.2649 59.3701 29.7975 177.1132 25 L 3.9981 8.4459 121.0121 57.6780 41.4592 179.5343 26 K 3.8933 8.1032 118.3260 59.8190 31.8405 179.3539 27 Q 4.0858 8.0782 116.9538 58.3598 28.5645 178.1204 28 T 4.4817 7.6053 108.4420 61.2311 69.2180 175.2614 29 G 3.7467 7.8694 107.9131 46.0147 0.0000 173.0266 30 H 4.7915 7.9553 116.5940 53.9743 31.8236 174.4834 31 E 4.6074 9.2893 120.8044 53.7276 30.1888 172.2301 32 P 4.9075 0.0000 0.0000 62.1249 33.0275 175.8377 33 I 4.4183 8.8688 123.6373 59.4641 40.1317 174.1171 34 D 4.9385 8.8080 127.9240 53.9805 41.3184 175.6021 35 C 4.4811 9.4398 124.0927 59.9351 28.8993 174.8328 36 G 4.0075 9.3405 105.8179 44.6031 0.0000 173.0269 37 A 3.9173 7.2999 122.4917 51.9170 18.6363 178.1802 38 L 4.4805 8.4037 120.7658 55.8285 42.4535 176.7435 39 R 4.5151 7.2299 112.4094 53.2812 32.4905 173.8406 40 Y 3.3548 7.5662 119.8250 57.3540 39.0101 174.6541 41 D 4.2525 7.6868 125.6266 51.9169 42.9556 175.1169 42 A 3.3236 8.1763 130.6503 54.7055 18.2813 177.5537 43 D 4.6639 7.8470 112.9049 53.9925 41.5978 176.5122 44 D 4.6121 7.9998 119.5670 53.2533 40.0394 175.2843 45 D 4.9690 8.3786 119.7678 52.2584 43.0516 176.5463 46 Y 4.5751 8.7049 123.5246 59.7626 37.8207 176.5625 47 P 4.2625 0.0000 0.0000 65.4786 31.4337 178.0664 48 A 3.8515 7.7056 118.6450 55.3503 18.1907 179.5776 49 F 4.3143 7.5534 115.5690 60.8500 38.9697 177.6523 50 C 4.2798 8.1234 116.5959 62.8174 28.0606 176.1115 51 I 3.6863 8.2674 121.6611 64.1844 36.6699 178.2947 52 A 3.9125 8.1663 121.3199 55.2071 18.3006 179.5912 53 A 3.9642 8.1283 119.0268 55.2071 18.4502 179.7891 54 A 3.9429 8.3453 119.6032 55.5568 18.5642 179.9041 55 T 3.7584 8.3524 114.5902 67.0330 68.3308 177.1323 56 R 3.6936 7.6364 118.4538 59.0923 30.2868 179.1304 57 T 4.1588 7.5723 116.9595 66.2185 68.3283 176.9575 58 V 3.5911 7.6524 118.4614 65.8321 31.6108 177.3258 59 A 4.3463 7.7379 118.3273 52.5448 19.7297 177.1001 60 D 4.8065 7.5631 117.2881 51.0074 41.1157 172.7159 61 P 4.5735 0.0000 0.0000 63.2501 32.2228 176.8130 62 G 4.0158 8.9238 110.4344 45.1986 0.0000 173.8706 63 S 4.6833 7.8983 114.4618 58.1730 64.9509 172.9442 64 L 5.1842 8.9528 119.7491 53.0684 46.1583 175.7115 65 G 4.7047 9.7674 106.1643 44.9816 0.0000 171.8405 66 I 5.2179 8.9936 121.4667 59.4266 41.3712 174.8090 67 V 5.1343 8.8584 120.0700 59.5413 35.2928 174.7577 68 L 5.3354 8.2913 123.2555 52.2938 45.8517 176.0818 69 G 4.3594 7.6384 108.6037 45.5254 0.0000 172.3439 70 G 3.8020 9.1476 106.2934 49.1628 0.0000 176.1611 71 S 4.3209 8.1141 115.4094 57.6220 64.2849 175.4468 72 G 3.9571 8.1628 109.2228 45.6116 0.0000 175.0634 73 N 4.3946 8.2824 117.8769 56.2304 38.5622 177.3888 74 G 3.2005 7.7729 106.5943 47.6613 0.0000 175.4196 75 E 4.0848 7.7111 120.3788 59.1748 29.6241 179.0915 76 Q 4.0322 8.0851 117.7806 59.2002 28.3868 178.5691 77 I 3.6757 7.6408 120.6773 64.2165 37.3751 177.9263 78 A 4.1937 8.2608 121.2521 55.1639 18.2319 179.5610 79 A 4.0050 8.2443 119.3433 55.3393 18.2737 179.4177 80 N 4.4942 8.3393 113.7119 55.5123 38.6619 177.1225 81 K 4.2534 7.7083 119.0709 57.0844 32.6460 177.3450 82 V 3.7224 7.4407 120.9683 61.5293 31.8813 173.4940 83 P 5.2096 0.0000 0.0000 63.8093 31.4735 176.7147 84 G 3.9071 9.0425 111.8356 45.0943 0.0000 173.3992 85 A 4.2536 7.5346 122.7023 51.6204 19.3784 177.0751 86 R 4.6269 9.3103 120.8804 54.6365 33.4720 174.3149 87 C 5.1292 9.6411 125.7894 57.4279 33.2735 173.5075 88 A 4.4070 8.5490 128.4718 51.3980 20.1118 175.5046 89 L 4.8107 8.4285 121.4114 53.8880 43.2262 175.5977 90 A 4.6353 8.7916 129.7334 50.0732 19.8626 176.2248 91 W 4.8024 8.0460 118.2305 56.0505 29.1118 175.6739 92 S 4.3935 6.9330 112.9286 56.4902 65.8630 175.8188 93 V 3.4608 7.9717 121.4392 66.0845 31.1690 177.6100 94 Q 3.8480 7.8325 118.9787 59.5277 28.9217 178.4419 95 T 3.7214 7.4039 110.3180 64.4013 68.2281 176.4639 96 A 3.9478 7.8404 123.4450 54.8362 18.3471 179.4240 97 A 3.9719 8.1463 119.3941 55.5111 18.4567 179.9583 98 L 3.8623 8.2713 117.6152 57.6273 41.5015 179.5427 99 A 4.0270 8.1209 120.9041 55.2551 18.1795 179.9606 100 R 3.9075 7.8043 115.5868 59.4505 30.1480 178.8455 101 E 4.2297 8.6097 119.3084 59.4695 29.4584 178.1314 102 H 4.2024 8.4945 114.5024 57.3082 29.7280 175.9380 103 N 4.6414 8.1408 114.0401 52.4455 39.2276 174.1060 104 N 3.8328 7.7246 116.0547 53.7977 37.8245 174.2078 105 A 4.1772 8.0878 120.2461 52.3468 19.0001 178.5753 106 Q 4.3550 8.7352 122.2586 57.8540 30.3322 175.9086 107 L 6.1855 8.4023 118.5133 51.6765 46.2755 175.5754 108 I 4.8105 7.7200 113.8739 59.0052 41.0955 174.3406 109 G 4.2656 9.0617 111.6809 45.3426 0.0000 172.6824 110 I 4.9145 8.5868 123.5863 59.0397 41.6175 174.8748 111 G 4.0472 8.7807 113.6756 45.4689 0.0000 174.6776 112 G 3.8531 9.3935 114.8015 48.1790 0.0000 174.2213 113 R 4.5891 8.1425 118.1733 56.3300 30.2975 176.6075 114 M 4.4701 7.7243 117.1908 55.4654 33.8202 175.5416 115 H 5.1565 7.6991 113.8331 52.9907 33.1000 173.5344 116 T 4.1935 8.9185 112.7832 61.2515 70.6037 175.9728 117 V 3.5220 8.2551 120.3944 66.1549 31.5739 177.6172 118 A 3.9605 8.0656 119.9379 55.5234 18.1495 179.3294 119 E 3.8894 8.3384 116.5499 59.3486 29.4300 179.5126 120 A 3.9138 8.0559 120.7626 55.2490 18.4485 179.7234 121 L 3.8263 8.1962 117.6162 57.7327 41.5846 179.6057 122 A 3.9899 7.9676 120.8003 55.1543 18.3031 179.7206 123 I 3.5743 7.7737 118.2428 64.5099 37.1929 178.7718 124 V 3.6818 7.9988 119.2039 66.1481 31.2722 177.7350 125 D 4.3818 8.5550 118.7285 57.3595 40.6931 178.6107 126 A 3.9992 8.0201 121.2251 55.1417 18.1585 179.4441 127 F 4.2234 8.0615 117.9597 61.5603 39.6504 177.3093 128 V 3.5648 7.8663 109.5651 62.5487 31.6157 176.7558 129 T 4.3875 7.4191 106.8571 61.7253 70.3306 174.6407 130 T 4.1602 7.7010 120.3688 62.1665 68.7589 172.8475 131 P 4.4988 0.0000 0.0000 61.4828 32.3511 175.9392 132 W 4.8178 8.8375 130.1781 58.0891 30.8429 176.3936 133 S 3.9175 8.3722 121.0382 59.2043 62.6980 175.1901 134 K 2.6240 5.6600 116.7762 56.3851 29.5927 175.8132 135 A 3.9557 6.7166 121.5291 51.6864 20.0478 178.6844 136 Q 3.9055 8.6517 124.3914 59.5875 29.1172 179.6995 137 R 3.9556 7.8128 116.3040 59.5534 29.4716 178.3949 138 H 4.4369 7.9799 116.5267 58.7688 28.7936 177.3554 139 Q 4.2179 8.4398 121.5414 59.0675 28.8626 178.2597 140 R 3.9099 8.2461 119.8498 59.5444 30.1858 178.7374 141 R 3.9654 8.1391 117.7987 59.3829 29.9954 179.0897 142 I 3.7246 8.1511 119.8320 64.5438 37.0383 178.2347 143 D 4.3810 8.5021 119.9778 57.3081 40.6242 178.8410 144 I 3.7152 7.9549 120.3685 64.3806 37.0733 178.2326 145 L 4.0246 7.9831 120.8667 58.0688 41.9069 178.7181 146 A 3.9727 8.3664 121.1305 55.2213 18.4303 179.2411 147 E 3.8620 8.4311 117.8457 59.5129 29.6380 178.3291 148 Y 4.0327 8.0767 119.6411 60.7612 38.8597 177.7955 149 E 3.2374 8.4544 120.3390 58.9110 29.4135 178.8491 150 R 3.8413 7.6622 118.6311 58.7466 30.2934 177.5949 151 T 4.3659 7.4253 106.1646 60.6262 70.2182 173.9496 152 H 2.9105 7.7953 117.6608 56.0650 27.0318 174.0666 153 E 4.4427 7.8171 118.7221 54.4172 29.7163 176.3209 154 A 4.0864 8.8441 127.9670 51.7062 18.8205 175.3095 155 P 4.5497 0.0000 0.0000 61.4258 32.3498 174.6280 156 P 4.3953 0.0000 0.0000 62.9498 31.9089 176.2526 157 V 4.1175 7.9918 113.7360 59.4397 32.8317 174.3770 158 P 4.1233 0.0000 0.0000 63.1511 31.8466 176.6649 *159 G 3.7274 8.5177 108.7756 45.9483 0.0000 172.6629 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 3 G 8.35 3.97 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 0.00 0.00 0.00 4 M 8.58 4.64 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 5 R 8.57 4.52 0.00 1.82 1.73 0.00 3.26 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.32 0.00 6 V 8.58 4.82 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 1.03 0.00 0.00 0.90 0.00 0.00 7 Y 9.05 4.84 0.00 3.08 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 8 L 9.33 5.34 0.00 1.60 1.55 0.99 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 9 G 9.02 4.66 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 0.00 0.00 0.00 10 A 9.00 5.74 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 11 D 8.58 4.62 0.00 3.16 3.07 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 0.00 0.00 0.00 12 H 9.07 4.12 0.00 2.76 3.37 0.00 5.26 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.94 4.33 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 14 G 7.91 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 0.00 0.00 0.00 15 Y 7.70 4.03 0.00 3.17 3.28 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 16 E 8.24 3.72 0.00 2.16 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 2.34 2.36 0.00 17 L 7.80 3.88 0.00 1.78 1.77 0.90 0.56 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 18 K 8.15 3.76 0.00 1.87 1.84 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.47 7.81 19 Q 7.68 3.91 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 1.55 2.05 0.00 20 R 7.73 3.93 0.00 1.95 1.94 0.00 3.09 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 21 I 8.03 3.77 1.99 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 1.51 0.65 0.93 0.00 0.00 22 I 8.10 3.68 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.03 0.90 0.00 0.00 23 E 8.04 3.90 0.00 2.10 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 0.00 2.30 2.36 0.00 24 H 8.30 4.12 0.00 3.36 3.47 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.45 4.00 0.00 1.89 1.72 0.94 1.14 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 26 K 8.10 3.89 0.00 1.99 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.65 7.81 27 Q 8.08 4.09 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.22 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 28 T 7.61 4.48 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 1.05 0.00 0.00 29 G 7.87 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.96 4.79 0.00 3.11 3.41 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 9.29 4.61 0.00 1.91 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 2.10 2.16 0.00 32 P 0.00 4.91 0.00 2.10 2.01 0.00 3.73 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 1.96 2.17 0.00 33 I 8.87 4.42 1.53 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 1.02 0.45 1.05 0.00 0.00 34 D 8.81 4.94 0.00 2.71 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 35 C 9.44 4.48 0.00 3.15 3.10 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 36 G 9.34 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 0.00 0.00 0.00 37 A 7.30 3.92 0.83 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 0.00 0.00 38 L 8.40 4.48 0.00 1.70 1.80 0.99 0.95 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 39 R 7.23 4.52 0.00 1.76 1.83 0.00 2.62 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.00 40 Y 7.57 3.35 0.00 2.61 2.73 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 0.00 0.00 0.00 41 D 7.69 4.25 0.00 2.58 2.46 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 42 A 8.18 3.32 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 43 D 7.85 4.66 0.00 2.63 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 44 D 8.00 4.61 0.00 2.95 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 45 D 8.38 4.97 0.00 2.54 2.42 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 46 Y 8.70 4.58 0.00 3.33 3.47 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 47 P 0.00 4.26 0.00 1.96 2.02 0.00 3.19 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.48 0.00 48 A 7.71 3.85 0.89 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 0.00 0.00 49 F 7.55 4.31 0.00 3.26 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 50 C 8.12 4.28 0.00 3.19 3.07 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 0.00 0.00 0.00 51 I 8.27 3.69 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.65 0.89 0.00 0.00 52 A 8.17 3.91 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 53 A 8.13 3.96 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 54 A 8.35 3.94 1.41 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 55 T 8.35 3.76 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 1.16 0.00 0.00 56 R 7.64 3.69 0.00 1.16 0.79 0.00 3.13 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 57 T 7.57 4.16 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 1.28 0.00 0.00 58 V 7.65 3.59 2.05 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 0.85 0.00 0.00 0.96 0.00 0.00 59 A 7.74 4.35 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 60 D 7.56 4.81 0.00 2.88 2.76 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 61 P 0.00 4.57 0.00 2.10 1.98 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 62 G 8.92 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 0.00 0.00 0.00 63 S 7.90 4.68 0.00 4.22 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 64 L 8.95 5.18 0.00 1.58 1.76 0.37 0.73 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 65 G 9.77 4.70 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 0.00 0.00 0.00 66 I 8.99 5.22 1.89 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 1.08 1.17 0.83 0.00 0.00 67 V 8.86 5.13 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 0.79 0.00 0.00 0.98 0.00 0.00 68 L 8.29 5.34 0.00 1.52 1.49 0.95 0.51 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 69 G 7.64 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 0.00 0.00 0.00 0.00 70 G 9.15 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 0.00 0.00 0.00 71 S 8.11 4.32 0.00 3.93 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 72 G 8.16 3.96 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 0.00 0.00 0.00 73 N 8.28 4.39 0.00 2.69 2.81 0.00 0.00 6.74 6.91 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 74 G 7.77 3.20 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 0.00 0.00 0.00 0.00 75 E 7.71 4.08 0.00 2.17 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 2.47 2.48 0.00 76 Q 8.09 4.03 0.00 2.49 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.71 0.00 77 I 7.64 3.68 2.07 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 1.47 0.61 0.97 0.00 0.00 78 A 8.26 4.19 1.49 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 0.00 0.00 79 A 8.24 4.01 1.41 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 80 N 8.34 4.49 0.00 2.96 2.92 0.00 0.00 7.10 8.40 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 81 K 7.71 4.25 0.00 1.83 1.88 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.72 1.61 7.81 82 V 7.44 3.72 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 0.97 0.00 0.00 0.93 0.00 0.00 83 P 0.00 5.21 0.00 2.06 1.99 0.00 3.78 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 84 G 9.04 3.91 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 0.00 0.00 0.00 85 A 7.53 4.25 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 86 R 9.31 4.63 0.00 1.79 1.80 0.00 3.07 0.00 0.00 3.03 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 87 C 9.64 5.13 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 88 A 8.55 4.41 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 89 L 8.43 4.81 0.00 1.68 1.70 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.79 4.64 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 91 W 8.05 4.80 0.00 3.60 3.14 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 92 S 6.93 4.39 0.00 3.68 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.97 3.46 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 1.06 0.00 0.00 0.95 0.00 0.00 94 Q 7.83 3.85 0.00 2.01 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 95 T 7.40 3.72 3.98 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 0.00 0.00 0.00 0.67 0.00 0.00 96 A 7.84 3.95 1.41 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 97 A 8.15 3.97 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 98 L 8.27 3.86 0.00 1.60 1.62 0.86 0.64 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 99 A 8.12 4.03 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 0.00 100 R 7.80 3.91 0.00 2.08 2.12 0.00 3.50 0.00 0.00 2.55 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 101 E 8.61 4.23 0.00 2.20 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 2.40 2.40 0.00 102 H 8.49 4.20 0.00 3.26 3.26 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.14 4.64 0.00 2.92 2.84 0.00 0.00 7.06 8.00 0.00 0.00 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 N 7.72 3.83 0.00 1.44 1.92 0.00 0.00 7.09 7.83 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 0.00 105 A 8.09 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 0.00 106 Q 8.74 4.36 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 107 L 8.40 6.19 0.00 1.56 1.50 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 108 I 7.72 4.81 1.53 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.25 0.56 0.00 0.00 109 G 9.06 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 0.00 110 I 8.59 4.91 1.85 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 1.08 1.02 0.93 0.00 0.00 111 G 8.78 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 0.00 0.00 0.00 112 G 9.39 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 0.00 113 R 8.14 4.59 0.00 1.93 1.95 0.00 3.13 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 114 M 7.72 4.47 0.00 1.74 1.92 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.74 0.00 115 H 7.70 5.16 0.00 3.10 3.15 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.92 4.19 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 1.25 0.00 0.00 117 V 8.26 3.52 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 1.10 0.00 0.00 0.92 0.00 0.00 118 A 8.07 3.96 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 0.00 119 E 8.34 3.89 0.00 2.24 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 2.35 2.34 0.00 120 A 8.06 3.91 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 0.00 121 L 8.20 3.83 0.00 1.57 1.43 0.78 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.97 3.99 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 0.00 123 I 7.77 3.57 1.97 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.62 0.82 0.00 0.00 124 V 8.00 3.68 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 1.12 0.00 0.00 0.97 0.00 0.00 125 D 8.55 4.38 0.00 2.88 2.73 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 0.00 0.00 0.00 126 A 8.02 4.00 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 0.00 127 F 8.06 4.22 0.00 2.94 3.30 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 0.00 128 V 7.87 3.56 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 0.81 0.00 0.00 0.87 0.00 0.00 129 T 7.42 4.39 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 1.28 0.00 0.00 130 T 7.70 4.16 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 1.30 0.00 0.00 131 P 0.00 4.50 0.00 2.19 2.07 0.00 3.79 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 1.98 1.95 0.00 132 W 8.84 4.82 0.00 3.28 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 0.00 133 S 8.37 3.92 0.00 3.78 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 0.00 134 K 5.66 2.62 0.00 1.56 1.65 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.67 0.98 7.81 135 A 6.72 3.96 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 0.00 136 Q 8.65 3.91 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 137 R 7.81 3.96 0.00 2.05 2.12 0.00 2.96 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 138 H 7.98 4.44 0.00 3.59 3.96 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.44 4.22 0.00 2.44 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 140 R 8.25 3.91 0.00 2.04 2.12 0.00 3.17 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 141 R 8.14 3.97 0.00 2.12 2.02 0.00 3.37 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 142 I 8.15 3.72 1.90 0.00 0.00 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 1.45 0.89 0.84 0.00 0.00 143 D 8.50 4.38 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 I 7.95 3.72 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.78 0.94 0.00 0.00 145 L 7.98 4.02 0.00 1.81 1.84 1.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.37 3.97 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 0.00 147 E 8.43 3.86 0.00 2.18 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 0.00 2.33 2.39 0.00 148 Y 8.08 4.03 0.00 3.08 3.14 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 0.00 149 E 8.45 3.24 0.00 2.15 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 2.25 2.25 0.00 150 R 7.66 3.84 0.00 1.93 2.06 0.00 3.25 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 1.60 1.60 0.00 151 T 7.43 4.37 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 1.22 0.00 0.00 152 H 7.80 2.91 0.00 3.08 3.26 0.00 5.84 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 7.82 4.44 0.00 2.01 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 2.31 2.25 0.00 154 A 8.84 4.09 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 0.00 155 P 0.00 4.55 0.00 2.21 2.11 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 156 P 0.00 4.40 0.00 2.20 2.10 0.00 3.77 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 2.00 2.00 0.00 157 V 7.99 4.12 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 0.72 0.00 0.00 0.93 0.00 0.00 158 P 0.00 4.12 0.00 2.03 2.02 0.00 3.70 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 2.04 2.12 0.00 *159 G 8.52 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.