NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.2678 8.3349 115.2896 57.8649 63.1891 172.5087 *2 K 4.1967 8.2636 116.4223 56.3868 33.6547 174.9033 3 I 5.0860 8.2394 123.8576 59.9655 39.3413 174.9331 4 S 4.7396 8.7555 119.1841 55.4822 66.8440 175.9464 5 P 5.1175 0.0000 0.0000 62.1293 30.6573 179.3804 *7 L 4.0579 8.4105 126.9012 55.0052 42.4983 177.0398 8 L 3.6001 8.2762 122.7812 58.1780 42.0949 179.0882 9 S 4.2955 7.8024 110.6332 59.9210 63.6045 174.9043 10 D 4.5075 8.0383 121.2692 55.7598 40.6630 178.2205 11 I 3.5796 7.3243 121.4662 63.8965 36.9660 177.6427 12 E 3.8752 8.0915 119.8829 59.4665 29.4025 178.8660 13 Q 3.9155 7.9063 117.3561 58.8554 28.8097 178.5323 14 V 3.5445 7.5809 119.0981 66.0287 31.5525 177.8107 15 V 3.6064 7.8176 117.8731 66.3628 31.1614 177.6707 16 E 3.9455 8.0822 117.8397 59.4379 29.1254 179.2428 17 L 3.8814 7.9918 119.2541 58.2420 42.4668 178.5946 18 E 3.8632 8.4354 118.7263 59.3239 29.2737 178.7578 19 N 4.6571 8.1551 114.6839 55.0910 38.7821 176.7947 20 K 4.1856 7.4948 118.6959 58.0527 32.4899 178.2739 21 T 3.9758 7.2552 115.1691 63.5937 69.0838 175.2351 22 W 4.9552 7.2460 120.6305 55.8470 30.1416 175.5388 23 S 4.8109 9.0458 116.7249 56.2393 65.7166 174.7310 24 E 4.1667 8.6981 119.5897 58.4208 29.1975 178.1990 25 Q 4.1593 7.5872 118.7179 57.5469 29.2675 175.7634 26 N 5.0614 8.3964 112.2620 52.3421 38.6599 174.0003 27 T 4.4950 7.5519 112.3490 60.1493 70.3899 171.2705 28 P 4.3467 0.0000 0.0000 62.7915 32.1928 176.2899 29 V 3.6702 6.8583 119.5765 61.9172 31.9981 173.9190 30 P 4.4030 0.0000 0.0000 62.5651 31.8859 175.8595 31 L 4.6674 8.0661 121.0283 52.4581 43.4392 174.9079 32 P 4.5920 0.0000 0.0000 62.6780 32.2508 176.7419 33 V 3.8191 8.3739 112.6880 62.3481 32.2625 176.2191 34 A 5.5480 8.0785 121.2267 49.9951 21.2113 176.2679 35 S 4.6602 8.3363 113.9279 55.7326 67.1624 175.3654 36 K 3.8172 8.6462 123.4189 60.1826 31.8959 178.6877 37 D 4.4206 8.0201 118.3399 57.0884 40.9029 178.3490 38 Q 4.0032 8.0658 120.2177 59.2803 28.9957 178.4258 39 I 3.9196 7.9249 120.8907 64.2242 37.1087 178.5418 40 I 3.7614 7.8367 120.8998 64.2640 36.7275 177.8590 41 Q 3.9963 7.9649 119.3608 59.4452 29.0812 178.8660 42 K 4.2080 8.0407 118.5720 59.5192 31.9663 179.0196 43 F 4.5909 8.3606 119.7179 61.5504 39.3980 176.3300 44 E 4.2656 8.7742 115.4201 56.9354 29.4292 177.0613 45 S 4.6304 7.9650 113.6933 58.0233 63.4715 174.7486 46 N 4.5319 8.5428 116.8886 53.7765 35.8488 174.7262 47 T 3.9609 7.5067 115.3919 63.8993 69.1052 173.5080 48 H 5.1704 8.1689 122.9158 54.1805 31.7537 173.7272 49 F 5.2497 8.9779 119.0324 55.8789 41.9075 174.3775 50 L 4.9598 9.6613 124.6788 53.3822 43.9316 175.8570 51 V 4.9739 8.9801 122.1761 61.0409 35.3646 173.8048 52 A 5.3759 8.9756 128.1639 50.1496 21.5593 175.5524 53 K 5.0875 8.9308 120.7056 54.7690 36.0715 176.6275 54 I 4.2931 8.4147 123.9476 60.0695 39.2451 175.6187 55 K 3.6638 8.6248 127.2926 59.2395 30.0627 175.8523 56 D 4.5133 8.1407 111.9973 55.7012 40.3111 171.8239 57 K 4.4326 7.4879 117.6724 54.0583 33.3276 175.6899 58 I 4.3510 8.2511 127.4923 61.6672 37.4895 176.1101 59 V 4.4356 9.1243 116.6941 60.7352 34.0827 175.2764 60 G 4.5463 7.7853 106.5735 45.3382 0.0000 172.7645 61 V 5.1962 8.7474 120.9279 59.9689 35.4476 173.4302 62 L 5.5058 9.8187 125.4903 52.3172 45.1336 174.5320 63 D 5.3601 8.8252 125.7323 51.7497 42.3903 174.6447 64 Y 5.4699 8.1142 118.2163 56.0349 42.2449 173.7063 65 S 4.8850 9.0539 112.9348 57.3788 66.8441 174.9204 66 S 4.5354 8.9964 116.9441 59.4850 62.4559 174.7190 67 L 3.9254 9.0525 127.2439 57.3926 42.3453 176.8239 68 Y 4.6477 7.5859 114.1488 55.3547 41.0663 173.5992 69 P 4.4974 0.0000 0.0000 63.4212 32.3714 175.9410 70 F 4.9911 6.7323 114.6361 54.5426 40.1756 174.9352 71 P 4.6048 0.0000 0.0000 65.1919 31.3398 179.0872 72 S 4.2808 8.5910 111.6725 60.4080 63.0511 174.9405 73 G 4.0891 8.0248 108.4858 44.9648 0.0000 174.6091 74 Q 4.2263 8.1702 119.3197 58.4546 28.7105 177.0656 75 H 4.9577 8.4151 114.1877 55.8013 30.3197 174.1624 76 I 5.0894 7.9212 121.4552 59.9160 39.3351 175.0437 77 V 4.1552 8.2888 127.4403 60.5408 33.6055 174.9723 78 T 5.0901 8.8016 117.0576 60.6762 71.1761 172.0425 79 F 5.1817 7.9927 116.8627 55.8791 40.3199 173.3429 80 G 4.2952 9.0023 107.4930 44.9141 0.0000 171.7801 81 I 5.2368 8.3028 118.4266 59.7737 41.3448 173.8078 82 A 4.3393 9.1777 130.0163 50.4423 22.2512 174.9861 83 V 4.5971 8.0304 122.2686 60.5315 34.1533 175.2266 84 A 3.8910 8.7151 129.6040 52.1306 18.9171 177.6247 85 E 3.7208 9.1691 123.8777 59.7409 29.4219 179.7371 86 K 4.0638 7.9634 115.5545 58.5243 32.2348 177.9681 87 E 4.4305 7.8998 117.0338 55.2978 29.7808 176.2938 88 R 3.9714 7.1559 119.0538 56.7998 30.7534 176.8862 89 R 4.3506 8.4660 114.9046 57.3177 27.3965 177.1515 90 K 4.3882 7.8485 114.4596 56.1383 32.6941 177.3479 91 G 4.0500 8.2543 108.1293 45.5450 0.0000 175.9028 92 I 3.7895 7.8315 121.1028 64.1991 37.1320 178.1094 93 G 3.6347 8.0398 106.0649 47.9333 0.0000 175.1904 94 R 3.9961 8.4181 121.0177 59.2838 30.1250 178.2590 95 A 4.0780 8.0953 120.2621 54.8724 18.2917 179.5333 96 L 3.9414 8.1750 117.6598 58.1876 41.7244 179.8036 97 V 3.5360 8.0691 118.0743 66.1847 31.2264 177.8913 98 Q 3.9229 8.2930 119.5264 58.9979 28.9094 178.1199 99 I 3.7573 7.7961 114.1062 63.5857 37.9098 177.5717 100 F 3.9196 8.2954 122.6894 61.3914 39.0649 177.1264 101 L 3.1650 7.9215 118.3007 57.7839 41.1539 179.3602 102 N 4.3644 7.5565 114.8140 55.4879 38.4977 177.2260 103 E 4.0308 7.7243 119.8566 59.3774 29.9555 179.1134 104 V 4.0040 7.1206 110.7283 62.3350 31.6716 178.4003 105 K 3.8781 7.4545 119.7094 59.7613 32.0856 177.8529 106 S 4.1972 7.9372 111.2219 60.9092 62.5383 174.7513 107 D 4.6085 7.8555 118.7120 53.8526 41.5672 175.4261 108 Y 4.9415 7.4964 115.4474 56.3572 42.0029 174.8258 109 Q 4.5697 9.2826 119.6281 57.2172 31.1569 176.2027 110 K 5.0314 7.9150 119.1868 54.9482 36.0244 175.0142 111 V 4.8946 8.9320 127.4086 61.6385 33.6283 174.3226 112 L 5.3858 8.6935 128.8555 53.5827 45.1065 175.1659 113 I 4.6432 9.1661 118.8553 59.4689 41.5856 173.4675 114 H 5.2829 8.6729 119.9415 54.1772 30.7542 174.2171 115 V 4.4950 9.1909 123.5161 60.6105 34.4917 174.7245 116 L 4.7200 8.7568 128.0709 55.0859 42.1422 178.5757 117 S 4.3343 9.1976 118.5913 60.5003 63.1208 175.4714 118 S 4.3291 7.9885 114.6964 60.0371 63.7113 175.0053 119 N 4.6444 7.9834 122.1412 52.1184 35.7528 174.4472 120 Q 3.9812 8.0114 125.7642 58.8137 29.6261 177.1609 121 E 3.9510 8.1045 117.9515 59.1398 29.7789 178.7715 122 A 3.6693 7.8140 121.2767 54.7345 18.6239 179.2851 123 V 3.4904 7.9474 116.9619 66.4140 31.4435 178.3461 124 L 4.0472 7.6933 118.5165 57.5260 41.4946 178.7109 125 F 4.1241 8.4387 121.0614 62.0061 39.1069 176.9668 126 Y 4.0354 7.9645 116.2002 60.7495 37.5665 178.4721 127 K 4.0758 7.9463 120.1638 59.3964 32.1168 178.6485 128 K 3.9528 8.0973 118.9576 59.5449 32.2198 178.0150 129 L 4.4234 7.7311 115.5241 54.9464 41.4538 177.6374 130 G 3.9481 7.9971 107.2103 45.4527 0.0000 174.0585 131 F 4.5267 8.6786 117.7934 57.3456 39.9759 174.5095 132 D 5.0071 9.0627 121.2340 52.5746 43.2346 175.7911 133 L 3.5143 8.5407 125.2227 54.9458 41.6378 175.4447 134 E 4.3912 8.9594 128.8167 57.8935 30.7865 175.6228 135 A 4.6916 7.4056 118.5498 50.6635 23.2748 175.1332 136 R 4.7971 8.2850 118.5807 54.7811 33.0214 174.1564 137 L 4.6069 8.9955 127.5146 53.4319 43.4426 176.1153 138 T 4.4057 8.5618 121.5653 63.7398 69.2907 174.9509 139 K 4.0701 9.7086 126.5742 57.5336 30.4846 176.6552 140 Q 3.8415 8.1161 118.0273 58.1150 28.9991 177.3503 141 F 5.0095 8.2708 115.2191 55.5031 42.7512 173.4770 142 F 5.1645 8.9783 126.2646 56.4646 39.9598 175.1353 143 L 4.3102 7.9158 128.3906 53.8786 45.1754 176.9438 144 K 3.8055 8.9190 124.1209 57.7394 28.8557 176.2407 145 G 3.6825 7.3270 102.4486 45.9373 0.0000 173.1100 146 Q 4.5843 6.7258 117.6528 53.7733 31.4281 174.2615 147 Y 4.7881 8.5939 119.0484 57.5539 38.7956 174.9555 148 V 4.4958 9.7224 126.0479 61.3977 34.0512 174.8781 149 D 5.1896 8.9285 126.7359 53.6986 43.2761 174.8414 150 D 5.2080 8.9870 120.8804 52.9056 43.1537 174.8198 151 L 5.0186 9.3852 127.2129 53.3529 44.0948 175.6694 152 I 4.6657 8.5651 125.2401 60.0235 39.1574 174.2148 153 Y 5.2289 9.0553 125.9828 56.3350 40.5824 175.1726 154 S 5.4698 9.3707 116.8221 57.2592 67.6795 171.9938 155 Y 4.5402 8.9513 120.4869 56.0115 42.3376 173.3271 156 D 4.8260 8.2928 126.6005 53.6508 41.2861 176.3791 157 L 4.0708 8.8200 127.9315 56.3106 42.5600 177.5562 158 E 5.3399 8.4173 121.4690 57.3103 29.0703 175.3145 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 0 S 8.33 4.27 0.00 3.85 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 *2 K 8.26 4.20 0.00 1.79 1.76 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.49 7.81 3 I 8.24 5.09 1.90 0.00 0.00 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 1.44 0.59 0.97 0.00 0.00 4 S 8.76 4.74 0.00 3.89 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 5 P 0.00 5.12 0.00 2.13 1.39 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 *7 L 8.41 4.06 0.00 1.75 1.62 0.90 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.28 3.60 0.00 1.69 1.62 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.80 4.30 0.00 3.98 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 10 D 8.04 4.51 0.00 2.77 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 11 I 7.32 3.58 1.80 0.00 0.00 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 1.01 0.47 0.80 0.00 0.00 12 E 8.09 3.88 0.00 2.03 1.91 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 2.35 2.45 0.00 13 Q 7.91 3.92 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.65 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 14 V 7.58 3.54 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 1.15 0.00 0.00 0.92 0.00 0.00 15 V 7.82 3.61 2.24 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 0.99 0.00 0.00 0.95 0.00 0.00 16 E 8.08 3.95 0.00 2.17 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 2.32 2.45 0.00 17 L 7.99 3.88 0.00 1.53 1.89 0.78 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.44 3.86 0.00 2.31 2.36 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 2.70 2.47 0.00 19 N 8.16 4.66 0.00 2.82 2.90 0.00 0.00 7.06 6.94 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 20 K 7.49 4.19 0.00 1.71 1.77 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.55 7.81 21 T 7.26 3.98 3.34 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 0.47 0.00 0.00 22 W 7.25 4.96 0.00 3.26 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 23 S 9.05 4.81 0.00 3.95 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 24 E 8.70 4.17 0.00 1.94 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 0.00 2.28 2.28 0.00 25 Q 7.59 4.16 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 26 N 8.40 5.06 0.00 3.05 2.94 0.00 0.00 6.65 7.81 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 27 T 7.55 4.50 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 1.23 0.00 0.00 28 P 0.00 4.35 0.00 1.44 1.04 0.00 3.21 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.99 0.00 29 V 6.86 3.67 1.91 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 0.67 0.00 0.00 0.71 0.00 0.00 30 P 0.00 4.40 0.00 2.05 1.95 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 31 L 8.07 4.67 0.00 1.63 1.60 0.94 1.10 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 32 P 0.00 4.59 0.00 2.18 2.07 0.00 3.49 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 1.99 2.11 0.00 33 V 8.37 3.82 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 0.55 0.00 0.00 0.66 0.00 0.00 34 A 8.08 5.55 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 35 S 8.34 4.66 0.00 4.01 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 36 K 8.65 3.82 0.00 1.82 1.85 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.51 7.81 37 D 8.02 4.42 0.00 2.73 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 38 Q 8.07 4.00 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 39 I 7.92 3.92 1.94 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 1.72 0.69 0.63 0.00 0.00 40 I 7.84 3.76 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.74 0.97 0.00 0.00 41 Q 7.96 4.00 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 42 K 8.04 4.21 0.00 2.36 2.10 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.61 7.81 43 F 8.36 4.59 0.00 2.93 3.26 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 44 E 8.77 4.27 0.00 2.08 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 0.00 2.36 2.60 0.00 45 S 7.96 4.63 0.00 3.93 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 46 N 8.54 4.53 0.00 2.82 3.20 0.00 0.00 7.15 7.54 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 47 T 7.51 3.96 4.37 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 0.82 0.00 0.00 48 H 8.17 5.17 0.00 2.07 3.04 0.00 5.55 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 49 F 8.98 5.25 0.00 2.82 2.98 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 0.00 50 L 9.66 4.96 0.00 1.70 1.68 1.10 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.98 4.97 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 0.97 0.00 0.00 0.97 0.00 0.00 52 A 8.98 5.38 1.22 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 53 K 8.93 5.09 0.00 1.60 1.71 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.38 7.81 54 I 8.41 4.29 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.59 0.90 0.00 0.00 55 K 8.62 3.66 0.00 2.10 2.12 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.40 7.81 56 D 8.14 4.51 0.00 2.75 2.69 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 0.00 0.00 0.00 0.00 57 K 7.49 4.43 0.00 1.82 1.88 0.00 1.55 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.34 1.41 7.81 58 I 8.25 4.35 1.84 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 1.36 0.89 0.95 0.00 0.00 59 V 9.12 4.44 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 0.72 0.00 0.00 0.94 0.00 0.00 60 G 7.79 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 0.00 0.00 0.00 61 V 8.75 5.20 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 0.75 0.00 0.00 1.18 0.00 0.00 62 L 9.82 5.51 0.00 1.70 1.59 0.56 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.83 5.36 0.00 1.76 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 0.00 0.00 0.00 0.00 64 Y 8.11 5.47 0.00 3.35 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 65 S 9.05 4.89 0.00 3.81 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 66 S 9.00 4.54 0.00 3.87 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 L 9.05 3.93 0.00 1.43 1.39 0.64 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.59 4.65 0.00 2.30 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 69 P 0.00 4.50 0.00 2.24 2.19 0.00 3.33 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 2.08 2.09 0.00 70 F 6.73 4.99 0.00 3.29 3.26 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 71 P 0.00 4.60 0.00 2.28 2.20 0.00 4.07 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 72 S 8.59 4.28 0.00 4.05 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 73 G 8.02 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 74 Q 8.17 4.23 0.00 2.33 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.81 0.00 0.00 0.00 0.00 0.00 2.65 2.38 0.00 75 H 8.42 4.96 0.00 3.33 3.62 0.00 5.41 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.92 5.09 1.93 0.00 0.00 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 1.23 0.43 0.97 0.00 0.00 77 V 8.29 4.16 0.67 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 0.50 0.00 0.00 0.86 0.00 0.00 78 T 8.80 5.09 4.14 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 1.18 0.00 0.00 79 F 7.99 5.18 0.00 2.87 2.48 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 80 G 9.00 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 0.00 0.00 0.00 0.00 81 I 8.30 5.24 2.14 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 1.27 0.93 1.07 0.00 0.00 82 A 9.18 4.34 0.82 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 0.00 0.00 83 V 8.03 4.60 1.87 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 0.77 0.00 0.00 0.79 0.00 0.00 84 A 8.72 3.89 1.17 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 0.00 0.00 85 E 9.17 3.72 0.00 1.93 1.91 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 2.33 2.37 0.00 86 K 7.96 4.06 0.00 1.72 1.82 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.48 7.81 87 E 7.90 4.43 0.00 1.95 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 2.23 2.43 0.00 88 R 7.16 3.97 0.00 1.89 1.76 0.00 3.14 0.00 0.00 3.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 89 R 8.47 4.35 0.00 1.93 2.01 0.00 3.31 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 90 K 7.85 4.39 0.00 1.60 1.78 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.64 7.81 91 G 8.25 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 92 I 7.83 3.79 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 1.57 0.55 0.90 0.00 0.00 93 G 8.04 3.63 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 0.00 0.00 0.00 94 R 8.42 4.00 0.00 2.03 2.22 0.00 3.21 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 95 A 8.10 4.08 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 96 L 8.18 3.94 0.00 2.04 1.79 0.98 0.73 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 97 V 8.07 3.54 2.30 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 1.21 0.00 0.00 1.15 0.00 0.00 98 Q 8.29 3.92 0.00 2.46 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 99 I 7.80 3.76 1.89 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 1.47 0.93 1.02 0.00 0.00 100 F 8.30 3.92 0.00 2.90 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 0.00 101 L 7.92 3.16 0.00 1.61 1.36 0.46 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 102 N 7.56 4.36 0.00 2.67 2.81 0.00 0.00 7.09 8.44 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 0.00 103 E 7.72 4.03 0.00 1.81 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 2.50 2.61 0.00 104 V 7.12 4.00 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 0.26 0.00 0.00 0.20 0.00 0.00 105 K 7.45 3.88 0.00 1.79 1.80 0.00 1.76 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.43 7.81 106 S 7.94 4.20 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 0.00 107 D 7.86 4.61 0.00 2.51 2.29 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 0.00 108 Y 7.50 4.94 0.00 2.87 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 0.00 109 Q 9.28 4.57 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 110 K 7.91 5.03 0.00 1.87 1.65 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.50 7.81 111 V 8.93 4.89 2.38 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 1.52 0.00 0.00 0.99 0.00 0.00 112 L 8.69 5.39 0.00 1.70 1.47 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 113 I 9.17 4.64 1.46 0.00 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.87 0.18 0.00 0.00 114 H 8.67 5.28 0.00 2.99 3.46 0.00 5.64 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 0.00 115 V 9.19 4.49 2.33 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 1.11 0.00 0.00 1.00 0.00 0.00 116 L 8.76 4.72 0.00 1.69 1.64 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 117 S 9.20 4.33 0.00 4.04 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 0.00 118 S 7.99 4.33 0.00 4.16 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 0.00 119 N 7.98 4.64 0.00 2.86 2.86 0.00 0.00 6.65 6.99 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 0.00 120 Q 8.01 3.98 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.70 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 121 E 8.10 3.95 0.00 2.08 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 0.00 2.26 2.19 0.00 122 A 7.81 3.67 1.33 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 0.00 0.00 123 V 7.95 3.49 2.29 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 1.15 0.00 0.00 1.07 0.00 0.00 124 L 7.69 4.05 0.00 1.83 1.72 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.44 4.12 0.00 2.92 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 0.00 126 Y 7.96 4.04 0.00 2.50 2.35 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 0.00 127 K 7.95 4.08 0.00 2.13 2.00 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.59 7.81 128 K 8.10 3.95 0.00 1.92 1.97 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.53 7.81 129 L 7.73 4.42 0.00 1.67 1.90 0.80 -0.14 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 0.00 130 G 8.00 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 0.00 131 F 8.68 4.53 0.00 3.22 3.31 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 0.00 132 D 9.06 5.01 0.00 2.60 2.56 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 0.00 0.00 0.00 0.00 133 L 8.54 3.51 0.00 1.34 1.48 0.14 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.96 4.39 0.00 1.95 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 2.24 2.23 0.00 135 A 7.41 4.69 1.17 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 0.00 0.00 136 R 8.28 4.80 0.00 1.74 1.75 0.00 3.24 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 137 L 9.00 4.61 0.00 1.57 1.53 0.94 0.50 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 0.00 138 T 8.56 4.41 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 1.18 0.00 0.00 139 K 9.71 4.07 0.00 1.76 1.87 0.00 1.44 0.00 0.00 1.40 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.38 7.81 140 Q 8.12 3.84 0.00 1.54 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.07 0.00 141 F 8.27 5.01 0.00 3.10 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 0.00 142 F 8.98 5.16 0.00 2.70 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 0.00 143 L 7.92 4.31 0.00 1.56 1.37 0.85 0.57 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 0.00 144 K 8.92 3.81 0.00 1.75 1.77 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.32 7.81 145 G 7.33 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 0.00 146 Q 6.73 4.58 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.88 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 147 Y 8.59 4.79 0.00 3.03 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 0.00 148 V 9.72 4.50 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 1.08 0.00 0.00 1.01 0.00 0.00 149 D 8.93 5.19 0.00 2.73 2.68 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 0.00 150 D 8.99 5.21 0.00 2.91 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 0.00 151 L 9.39 5.02 0.00 1.90 1.56 1.10 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.57 4.67 1.78 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 0.98 0.60 0.87 0.00 0.00 153 Y 9.06 5.23 0.00 2.65 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 0.00 154 S 9.37 5.47 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 0.00 155 Y 8.95 4.54 0.00 2.44 2.55 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 0.00 156 D 8.29 4.83 0.00 2.69 2.43 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 0.00 157 L 8.82 4.07 0.00 1.78 1.80 0.84 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 158 E 8.42 5.34 0.00 2.03 2.23 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 2.13 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.