NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.7001 8.2827 119.2090 53.4688 39.0906 174.3209 6 Q 3.9521 8.3908 127.5748 57.9997 29.1793 176.1093 7 I 3.7762 8.0279 120.9936 64.3891 37.6290 177.8562 8 V 3.6998 7.8753 118.6422 66.0122 31.4220 177.7588 9 S 4.1069 8.1170 112.9320 61.9583 61.7581 175.7807 10 H 4.3176 8.7082 121.1256 59.0588 29.4841 176.7980 11 F 4.0628 8.4377 122.5658 61.5278 39.3106 177.1291 12 L 3.5247 8.2746 118.6792 57.6131 41.2905 179.2655 13 S 4.1437 8.1125 113.1657 61.3482 62.0839 175.5993 14 H 4.4066 7.4304 118.0700 57.7099 29.3730 177.3172 15 R 3.7801 7.6443 120.7218 59.3495 29.7658 178.1344 16 N 4.1789 8.3122 116.7024 56.2588 38.3818 177.5793 17 V 3.5387 7.5695 119.0228 66.2310 31.8013 177.8015 18 T 3.7601 7.7293 115.5257 67.0271 68.3621 176.2378 19 N 4.3222 8.3115 118.2714 56.1683 38.3102 177.1837 20 E 3.9186 7.7701 119.8508 59.1738 30.1272 178.5869 21 L 3.9572 8.1290 119.2072 57.5928 41.7268 179.3081 22 A 3.9871 7.9803 120.7648 54.9036 18.0229 179.2421 23 E 4.2511 7.8119 118.4607 58.4275 29.7514 178.2757 24 K 4.3639 7.5287 115.7426 55.8665 32.4277 176.6868 25 I 4.2737 7.1741 121.2567 59.5130 37.1866 175.9372 26 S 4.4112 8.4316 120.4741 57.7358 63.5762 175.5072 27 K 2.8682 8.1586 119.9675 58.3147 31.8848 178.3238 28 D 4.4207 7.3170 118.2273 56.4740 41.1412 176.8286 29 H 5.0969 8.0529 115.0090 55.7444 29.3145 175.7245 30 Y 4.4704 8.3563 120.4036 61.2315 38.4331 177.9179 31 S 4.7595 8.3395 110.3783 58.5414 64.3408 174.0909 32 Y 4.2845 8.1969 124.2100 57.9813 39.6639 174.9881 33 K 4.5120 7.4672 125.0892 53.6157 35.1466 174.5073 34 P 3.9346 0.0000 0.0000 64.8409 31.7544 175.8886 35 A 4.6573 7.2414 118.7372 50.0513 22.5407 176.5472 36 E 3.9051 8.8279 118.9493 59.6439 29.4764 178.6545 37 T 4.5474 7.7322 105.7446 61.7017 70.1105 174.5188 38 S 4.7519 7.1653 123.6927 58.8024 61.2085 177.2773 *40 S 4.4993 8.4859 126.2549 58.7226 64.9407 173.6675 41 A 4.1579 8.6384 123.9533 55.5881 18.0026 179.9586 42 E 3.7538 8.4557 116.0903 59.4097 29.7371 179.0703 43 E 3.9184 8.1872 119.6040 58.9193 29.4737 179.0768 44 L 3.7700 8.0737 120.5153 58.1294 42.1702 179.2848 45 V 3.4514 7.4459 117.6881 65.9183 31.4093 177.9969 46 K 3.8409 8.2455 118.6531 59.7615 31.8704 178.7729 47 H 4.0791 8.1438 118.4003 59.2418 29.3262 177.3399 48 I 3.7212 7.6289 121.6185 64.3397 36.5905 178.5063 49 L 3.9477 7.7791 119.9954 57.9906 41.4792 179.6655 50 T 3.5768 7.7364 110.1352 64.2631 68.7845 177.0485 51 S 3.8496 8.0114 117.2175 61.1805 63.0057 176.2596 52 F 4.0144 7.9875 124.0653 61.0955 39.1288 176.5535 53 H 4.2657 8.0920 116.6278 59.0639 29.7110 176.7685 54 L 3.8461 8.0072 122.1704 58.3224 41.8306 178.9381 55 F 4.2541 7.8190 117.1900 60.5714 38.8402 177.3135 56 A 3.9924 8.3397 120.6114 55.5868 18.1180 179.5261 57 N 4.2334 8.2415 114.7667 56.2206 38.4732 177.8875 58 V 3.5388 7.6971 119.7509 66.0711 31.3899 178.2243 59 I 3.6792 7.6993 118.5355 64.0287 36.9519 178.1340 60 K 4.0628 7.8275 119.6994 59.6840 32.1919 178.5230 61 E 4.1415 8.3867 118.0332 57.1509 29.5042 178.2981 62 G 3.8981 8.1892 105.0188 45.5484 0.0000 172.3358 63 N 4.9852 7.6300 114.8232 51.1652 42.3790 173.9343 64 A 4.1440 8.2874 120.6545 52.2371 19.1950 179.6166 65 S 4.1723 7.8168 113.5623 61.0748 63.2952 174.7856 66 P 4.2437 0.0000 0.0000 64.6502 31.1975 178.1970 67 F 4.6460 7.4048 116.3896 60.2591 38.9888 176.8502 68 Q 4.0779 8.2327 121.8854 59.1929 28.6381 176.9341 69 N 4.5910 7.4914 115.4067 52.5414 38.7582 178.5165 *74 T 4.4587 8.1977 105.7440 62.2461 70.6750 170.5956 75 E 4.2674 8.1276 120.9425 56.4084 30.2100 176.1191 76 T 4.4514 8.3079 114.2220 61.9167 70.9221 174.4998 77 D 4.6271 8.5333 123.0176 54.0918 41.9144 176.6396 78 L 3.9576 9.0681 128.3624 57.9348 41.4619 179.3574 79 N 4.3764 8.5227 116.6992 56.0118 38.3696 177.7060 80 V 3.6454 7.9010 119.3801 65.6963 31.6835 177.8197 81 L 4.0172 8.1687 118.6682 57.8668 41.5638 179.2995 82 A 4.0367 8.2125 120.6709 55.0720 18.3222 179.5970 83 K 3.8907 7.9634 117.6553 59.9584 32.3156 179.1443 84 T 3.8058 8.1485 116.2104 67.0610 68.3980 176.4107 85 Y 4.1258 8.3060 118.7353 61.0501 37.7494 178.6050 86 T 4.0645 8.1893 116.9242 66.7301 68.6023 176.4632 87 E 4.0152 8.2335 120.4693 59.5682 29.3801 179.7396 88 K 4.0597 8.1147 118.4007 59.6555 32.0005 179.7087 89 T 3.9677 8.2717 116.1734 66.5349 68.4216 176.8932 90 V 3.5880 8.2586 120.3640 66.1371 31.3369 177.8419 91 A 4.1267 7.8000 119.0567 55.2130 18.3032 179.5143 92 I 3.8442 7.5866 118.3796 64.6267 37.1475 178.6948 93 L 4.0117 8.2527 120.2023 57.7455 41.1578 179.2781 94 E 4.0010 8.5854 118.2271 59.3302 29.4947 178.7162 95 Q 4.3737 7.6393 115.7436 55.5352 29.2902 176.1351 96 L 4.2700 7.0985 121.7237 54.8460 42.1454 177.5047 97 T 4.4975 9.3001 115.1697 60.4444 71.8628 175.7808 98 E 4.0211 8.5799 120.9333 59.2307 29.4966 179.3230 99 E 3.9005 8.1070 119.2328 59.4959 29.6091 178.7388 100 Q 4.0311 7.6734 116.2442 58.8980 28.9203 178.4868 101 L 4.1530 7.9764 120.1865 57.7892 41.4699 179.1417 102 D 4.3643 8.2302 118.4593 55.9727 41.4509 177.3006 103 R 4.2560 7.3576 115.6946 55.7994 31.1382 175.9883 104 E 4.5945 8.6436 120.7748 56.3722 30.6372 176.0480 105 I 4.2454 9.2350 129.1868 60.7960 38.7768 176.7976 106 D 4.6685 8.3818 127.8566 52.6109 41.0999 171.0576 *110 A 4.3838 8.1698 118.3776 53.6076 20.5863 178.4599 *111 F 4.5081 8.1248 113.1269 55.7647 40.2229 179.3847 112 G 4.1930 8.6600 106.5725 45.3593 0.0000 174.0251 113 R 4.6787 6.8971 116.6101 55.4741 30.2456 174.6265 114 K 4.6312 8.2946 115.2686 55.9762 35.0140 175.1490 115 V 4.6909 8.2120 125.0406 60.2655 35.1522 174.2788 116 T 4.8901 8.0604 113.4134 61.0108 69.9254 175.5458 117 G 3.6121 8.8334 109.8647 47.9628 0.0000 175.9213 118 R 3.8637 8.3352 121.0359 59.3363 30.2726 178.5728 119 A 3.9671 7.9903 120.5264 55.0059 18.3477 179.3895 120 L 3.7615 8.0714 119.0127 57.8031 41.8580 179.0292 121 L 3.7242 7.5558 119.8354 58.0160 42.1493 178.3082 122 Q 4.0727 7.6565 118.2342 59.1553 29.3513 177.7088 123 L 3.9737 7.6248 120.6835 57.7840 41.9990 179.0278 124 A 3.3264 7.0891 117.9537 52.5327 17.8880 178.8689 *126 E 4.2619 8.1828 122.6016 58.1875 31.9502 177.9899 127 H 4.1843 8.2224 117.9744 59.1626 29.7696 176.9319 128 E 4.1012 8.2842 120.6995 59.4710 29.5140 178.9377 129 I 3.7215 7.7383 119.3706 64.5170 37.2487 177.3839 130 H 4.0358 8.5580 119.4728 60.0215 29.5946 177.0539 131 H 4.1603 8.2954 117.6447 58.5059 28.4153 177.8182 132 K 4.0173 8.5199 122.1056 59.2524 31.7881 178.8028 133 G 3.7676 8.0225 105.2550 48.0570 0.0000 174.8773 134 N 4.5542 7.9251 118.9547 56.1517 38.6880 177.2795 135 L 3.7341 8.1123 121.6123 58.0260 42.0168 178.9101 136 F 3.9422 8.5782 118.1786 60.5690 38.8571 177.8107 137 V 3.7369 8.0843 117.6535 66.0435 31.1373 177.4138 138 Y 4.2303 8.4579 115.1324 61.4709 37.6333 178.6492 139 V 3.7986 8.0521 118.7777 65.8636 31.4063 177.8638 140 R 4.7721 7.7440 118.8142 58.7755 30.5021 179.9785 141 E 4.2809 8.1440 119.2617 55.6904 28.5760 178.0846 *143 G 3.7082 7.9365 106.5025 45.1028 0.0000 172.6566 144 H 4.6764 7.7379 118.4448 54.9683 29.0925 175.7038 145 T 4.5479 8.5495 113.7796 61.4774 70.2799 174.8641 146 E 4.5107 7.9761 122.5849 54.6553 28.4118 174.4815 147 L 4.7725 7.7553 121.4213 51.7156 44.2051 174.9861 148 P 4.5728 0.0000 0.0000 62.3523 31.8807 176.0132 149 F 4.4870 8.6748 121.3670 58.2675 39.8246 175.7185 150 Y 4.2110 6.9987 123.4590 58.9869 38.1246 175.6439 151 Q 4.5457 6.5108 121.0617 54.3438 32.1371 174.5249 152 Q 4.2550 8.8420 125.5905 55.8425 29.8442 176.1912 153 R 4.2210 8.3939 121.3569 56.5445 29.8598 175.9675 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 5 N 8.28 4.70 0.00 2.76 2.85 0.00 0.00 6.72 6.06 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 6 Q 8.39 3.95 0.00 2.36 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.08 0.00 7 I 8.03 3.78 2.08 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 1.58 0.80 0.97 0.00 0.00 8 V 7.88 3.70 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 1.16 0.00 0.00 0.98 0.00 0.00 9 S 8.12 4.11 0.00 4.03 4.10 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 10 H 8.71 4.32 0.00 3.35 3.45 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.44 4.06 0.00 3.13 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 12 L 8.27 3.52 0.00 1.68 1.62 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.11 4.14 0.00 4.07 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 14 H 7.43 4.41 0.00 3.39 3.28 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.64 3.78 0.00 0.71 1.03 0.00 3.19 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.42 0.00 16 N 8.31 4.18 0.00 2.72 2.80 0.00 0.00 6.63 7.70 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 17 V 7.57 3.54 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.99 0.00 0.00 18 T 7.73 3.76 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 1.15 0.00 0.00 19 N 8.31 4.32 0.00 2.80 2.82 0.00 0.00 6.70 8.25 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 20 E 7.77 3.92 0.00 2.15 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 0.00 2.29 2.32 0.00 21 L 8.13 3.96 0.00 1.66 1.46 -0.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.98 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.81 4.25 0.00 1.99 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 0.00 2.31 2.34 0.00 24 K 7.53 4.36 0.00 1.79 1.36 0.00 1.65 0.00 0.00 1.60 0.00 0.00 3.16 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.56 7.81 25 I 7.17 4.27 2.09 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 1.42 0.66 1.13 0.00 0.00 26 S 8.43 4.41 0.00 3.94 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 27 K 8.16 2.87 0.00 1.48 1.36 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.83 1.23 7.81 28 D 7.32 4.42 0.00 2.34 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 29 H 8.05 5.10 0.00 3.31 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 8.36 4.47 0.00 3.02 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.34 4.76 0.00 3.94 4.07 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 32 Y 8.20 4.28 0.00 3.22 3.12 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 0.00 0.00 0.00 33 K 7.47 4.51 0.00 1.47 1.64 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.53 7.81 34 P 0.00 3.93 0.00 1.75 1.86 0.00 3.11 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.12 0.00 35 A 7.24 4.66 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 36 E 8.83 3.91 0.00 1.92 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 2.29 2.33 0.00 37 T 7.73 4.55 4.23 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 1.20 0.00 0.00 38 S 7.17 4.75 0.00 3.97 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 *40 S 8.49 4.50 0.00 4.17 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 41 A 8.64 4.16 1.67 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.46 3.75 0.00 1.89 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 0.00 2.50 2.31 0.00 43 E 8.19 3.92 0.00 2.29 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 2.32 2.32 0.00 44 L 8.07 3.77 0.00 1.58 1.54 0.79 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.45 3.45 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.80 0.00 0.00 46 K 8.25 3.84 0.00 1.82 1.80 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.48 7.81 47 H 8.14 4.08 0.00 3.27 3.41 0.00 5.79 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 48 I 7.63 3.72 1.98 0.00 0.00 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 1.55 0.84 0.99 0.00 0.00 49 L 7.78 3.95 0.00 1.51 1.24 1.00 0.73 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 50 T 7.74 3.58 4.12 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 0.00 0.00 0.99 0.00 0.00 51 S 8.01 3.85 0.00 3.91 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 52 F 7.99 4.01 0.00 3.44 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 53 H 8.09 4.27 0.00 3.57 3.53 0.00 5.65 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 54 L 8.01 3.85 0.00 1.83 1.58 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 55 F 7.82 4.25 0.00 3.01 2.72 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 56 A 8.34 3.99 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 57 N 8.24 4.23 0.00 2.78 2.76 0.00 0.00 6.70 7.25 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 58 V 7.70 3.54 2.19 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 1.03 0.00 0.00 0.48 0.00 0.00 59 I 7.70 3.68 1.98 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 1.37 0.77 0.89 0.00 0.00 60 K 7.83 4.06 0.00 1.83 1.95 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.46 7.81 61 E 8.39 4.14 0.00 1.86 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 2.50 2.39 0.00 62 G 8.19 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 63 N 7.63 4.99 0.00 2.60 2.66 0.00 0.00 6.97 7.35 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 64 A 8.29 4.14 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 65 S 7.82 4.17 0.00 3.98 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 66 P 0.00 4.24 0.00 1.83 1.98 0.00 3.18 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 1.97 1.96 0.00 67 F 7.40 4.65 0.00 3.17 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 68 Q 8.23 4.08 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 69 N 7.49 4.59 0.00 2.79 2.65 0.00 0.00 6.89 7.59 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 *74 T 8.20 4.46 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 75 E 8.13 4.27 0.00 1.90 1.89 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 2.31 2.39 0.00 76 T 8.31 4.45 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 1.27 0.00 0.00 77 D 8.53 4.63 0.00 2.85 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 78 L 9.07 3.96 0.00 1.68 1.60 0.42 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.52 4.38 0.00 2.94 2.88 0.00 0.00 6.56 7.82 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 80 V 7.90 3.65 2.21 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 1.16 0.00 0.00 0.95 0.00 0.00 81 L 8.17 4.02 0.00 1.95 1.85 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.21 4.04 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 83 K 7.96 3.89 0.00 2.01 1.96 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.49 7.81 84 T 8.15 3.81 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 0.96 0.00 0.00 85 Y 8.31 4.13 0.00 3.17 2.96 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 86 T 8.19 4.06 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 1.24 0.00 0.00 87 E 8.23 4.02 0.00 2.18 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 2.50 0.00 88 K 8.11 4.06 0.00 1.78 1.91 0.00 1.45 0.00 0.00 1.37 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.49 7.81 89 T 8.27 3.97 4.40 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 0.65 0.00 0.00 90 V 8.26 3.59 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 0.93 0.00 0.00 1.14 0.00 0.00 91 A 7.80 4.13 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 92 I 7.59 3.84 2.02 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.00 0.92 0.00 0.00 93 L 8.25 4.01 0.00 1.75 1.71 0.36 0.86 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 94 E 8.59 4.00 0.00 2.06 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 2.37 2.55 0.00 95 Q 7.64 4.37 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 96 L 7.10 4.27 0.00 1.70 1.62 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 97 T 9.30 4.50 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 1.26 0.00 0.00 98 E 8.58 4.02 0.00 2.00 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 2.40 2.32 0.00 99 E 8.11 3.90 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 100 Q 7.67 4.03 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 101 L 7.98 4.15 0.00 1.86 1.71 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.23 4.36 0.00 2.70 2.72 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 0.00 103 R 7.36 4.26 0.00 1.92 2.17 0.00 2.75 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.60 0.00 104 E 8.64 4.59 0.00 1.88 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 2.31 2.28 0.00 105 I 9.23 4.25 1.94 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 1.07 0.86 0.95 0.00 0.00 106 D 8.38 4.67 0.00 2.70 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *110 A 8.17 4.38 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *111 F 8.12 4.51 0.00 2.29 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 0.00 112 G 8.66 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 0.00 0.00 0.00 0.00 113 R 6.90 4.68 0.00 2.15 1.76 0.00 3.19 0.00 0.00 3.15 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.13 0.00 114 K 8.29 4.63 0.00 1.73 1.66 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.46 7.81 115 V 8.21 4.69 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 0.72 0.00 0.00 0.91 0.00 0.00 116 T 8.06 4.89 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 1.33 0.00 0.00 117 G 8.83 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 0.00 118 R 8.34 3.86 0.00 2.01 1.92 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 119 A 7.99 3.97 1.29 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 0.00 0.00 120 L 8.07 3.76 0.00 1.88 1.69 0.95 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.56 3.72 0.00 1.74 1.85 0.98 0.59 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 0.00 122 Q 7.66 4.07 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 123 L 7.62 3.97 0.00 1.76 1.47 0.83 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.09 3.33 0.37 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 *126 E 8.18 4.26 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 127 H 8.22 4.18 0.00 3.46 3.58 0.00 5.78 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 0.00 128 E 8.28 4.10 0.00 2.57 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 2.40 2.48 0.00 129 I 7.74 3.72 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.32 0.89 0.00 0.00 130 H 8.56 4.04 0.00 3.20 3.45 0.00 5.78 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 0.00 131 H 8.30 4.16 0.00 3.30 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.52 4.02 0.00 1.94 2.09 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.76 1.54 7.81 133 G 8.02 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 N 7.93 4.55 0.00 2.95 2.93 0.00 0.00 6.71 6.79 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 0.00 135 L 8.11 3.73 0.00 1.66 1.73 0.70 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.58 3.94 0.00 3.26 3.11 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 0.00 137 V 8.08 3.74 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 1.15 0.00 0.00 1.08 0.00 0.00 138 Y 8.46 4.23 0.00 3.09 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 0.00 139 V 8.05 3.80 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 0.96 0.00 0.00 0.92 0.00 0.00 140 R 7.74 4.77 0.00 2.02 2.29 0.00 3.27 0.00 0.00 3.14 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 141 E 8.14 4.28 0.00 2.31 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 *143 G 7.94 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 H 7.74 4.68 0.00 3.32 3.25 0.00 5.58 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.55 4.55 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 146 E 7.98 4.51 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 147 L 7.76 4.77 0.00 1.87 1.82 1.09 1.14 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 0.00 148 P 0.00 4.57 0.00 2.31 2.13 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 149 F 8.67 4.49 0.00 3.03 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 0.00 150 Y 7.00 4.21 0.00 2.85 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 0.00 0.00 0.00 151 Q 6.51 4.55 0.00 1.68 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.93 0.00 0.00 0.00 0.00 0.00 2.15 1.75 0.00 152 Q 8.84 4.25 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 153 R 8.39 4.22 0.00 1.79 1.77 0.00 3.23 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.