NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2564 8.2531 123.5814 51.5906 20.2772 177.3446 3 G 3.7649 8.0195 109.3867 47.9981 0.0000 170.6680 4 D 4.3423 8.0236 117.1578 54.3143 44.9228 174.4026 5 T 4.5613 7.8126 111.6046 61.1098 71.2192 172.3905 6 T 5.0547 8.5912 117.0282 59.7475 71.3080 173.4648 7 I 4.7595 9.4172 124.4131 59.6163 42.0952 173.7582 8 T 5.2845 8.5438 123.1051 61.7107 71.4313 173.3654 9 I 4.7297 9.0615 119.0492 59.0170 41.5362 174.3128 10 V 4.7756 8.3050 123.2464 61.5562 33.7796 174.6089 11 G 4.1877 8.5451 113.8244 45.8666 0.0000 170.6116 12 N 6.2182 8.4037 116.2261 50.2300 41.9113 174.7754 13 L 5.1338 8.7426 122.8370 54.9466 42.2839 178.2669 14 T 4.1748 8.8732 113.2933 64.2456 69.6319 174.3064 15 A 4.5920 7.8962 122.0273 50.5500 21.9914 175.1893 16 D 4.5067 8.6466 119.4142 54.0154 41.4314 175.5622 17 P 4.1727 0.0000 0.0000 62.6903 31.6570 175.6753 18 E 4.3110 8.6901 125.1762 54.9384 30.4589 174.7150 19 L 4.1836 8.3246 129.8584 55.1495 43.2367 176.2018 20 R 4.4951 8.6520 123.8142 55.6940 34.5870 173.2534 21 F 5.2764 8.6805 117.1587 57.6901 43.1347 172.4147 22 T 4.8037 8.2002 110.2887 60.0061 71.7115 174.6753 23 S 4.1739 8.8298 116.9569 61.4276 62.9408 176.2140 24 S 4.4615 9.2263 115.0183 59.8773 63.3812 174.0812 25 G 3.5249 7.5657 114.0172 45.5381 0.0000 172.7980 26 A 4.2175 8.1171 123.2621 52.1623 19.4182 176.9438 27 A 3.9342 8.9642 124.2416 53.1704 19.9631 176.3570 28 V 4.4241 8.1381 119.8691 61.0716 35.3696 174.0659 29 V 4.8433 8.5447 127.0141 60.0842 34.4534 173.7016 30 N 5.6238 8.7541 124.4500 51.5639 41.3260 173.5344 31 F 5.0311 8.2994 116.5794 56.2676 42.3572 172.8900 32 T 5.1188 8.7235 115.0964 61.7895 72.1351 173.1901 33 V 4.8385 8.8604 124.9433 61.1667 34.2403 174.1481 34 A 4.3655 9.1543 130.5451 50.5450 20.3759 175.5168 35 S 4.9178 8.6549 117.8691 56.9770 65.5735 173.0545 36 T 4.7225 8.3866 117.0639 58.7528 69.6117 171.4695 37 P 4.4008 0.0000 0.0000 63.7756 32.7999 175.9669 38 R 4.8278 8.4921 123.1932 55.7760 30.7601 174.7295 39 I 4.2749 8.8189 126.8352 59.4285 39.6920 174.5630 40 Y 4.4803 8.8821 126.7371 58.3971 38.3618 176.0560 41 D 4.9820 8.2982 135.0000 54.8263 40.6012 173.5155 *47 W 4.5004 7.5532 119.0010 56.6933 29.9537 180.5623 48 K 3.9302 8.3608 117.6305 58.1273 31.9087 172.2773 49 D 4.9507 8.6844 125.6977 51.1668 40.0722 176.3219 50 G 4.0758 8.2845 109.8352 45.5295 0.0000 170.1842 51 E 4.1624 8.7938 117.3717 56.2543 29.8929 176.8033 52 A 4.2634 8.4326 122.2450 52.0527 19.3395 176.4767 53 L 4.7090 9.1224 124.4138 53.3413 44.9058 175.4382 54 F 5.0770 8.8353 122.9450 55.9125 41.8368 174.0272 55 L 4.7696 8.6009 124.4994 52.7172 44.4052 176.0488 56 R 4.6536 8.4649 123.9217 55.9403 31.8919 174.6796 57 C 5.1224 8.5906 122.7435 57.8558 32.5540 172.5643 58 N 5.3609 9.0485 119.7581 51.4232 41.4204 173.2479 59 I 4.9122 9.0760 124.1481 59.1455 41.2795 174.5114 60 W 5.1767 9.0762 127.7928 54.8410 32.7649 176.1117 61 R 3.6569 8.9015 119.0479 57.2425 29.0541 178.3069 62 E 3.9491 9.1178 118.1900 60.9123 29.5339 178.6616 63 A 3.9884 8.2380 119.6444 55.2772 18.3050 179.3260 64 A 3.9450 7.8687 118.9821 55.3464 18.5187 179.4802 65 E 3.8627 7.8381 116.5732 59.8079 29.5271 179.4273 66 N 4.2965 8.2566 116.2225 56.2580 38.6325 177.4176 67 V 3.4497 7.7808 119.2548 66.1160 31.3562 177.7405 68 A 3.9286 7.6656 118.7567 55.3338 18.2390 178.9438 69 E 3.9940 8.0926 116.6205 59.0022 29.7495 178.7677 70 S 4.3500 8.0055 114.4629 60.0025 63.7414 174.8666 71 L 4.3820 7.5074 120.3010 54.1421 42.3984 175.7998 72 T 4.6968 7.8074 109.7863 59.3839 72.1258 173.3195 73 R 3.8795 9.4795 119.5611 57.5228 29.6072 177.2490 74 G 3.9603 8.9423 107.9231 45.4084 0.0000 174.0508 75 A 4.1156 7.4504 122.5496 51.9207 19.6974 176.6328 76 R 4.7735 8.6538 123.1012 55.7341 31.5843 175.6102 77 V 5.0277 9.2612 119.8992 59.5400 36.3378 174.8235 78 I 4.9171 8.7604 121.5103 59.8543 40.6635 174.9606 79 V 4.9995 9.2896 127.9742 61.0987 33.9969 174.2754 80 T 5.0166 8.5285 117.8317 60.0837 71.6345 173.8779 81 G 4.2802 7.8451 108.6102 46.9993 0.0000 171.9274 82 R 5.5411 7.9579 118.4651 53.3052 34.2357 175.0598 83 L 4.8206 8.0235 121.3786 54.5276 42.6560 176.6956 84 K 4.7262 9.3255 122.0233 54.7746 36.7840 175.0116 85 Q 5.6630 8.5784 121.4639 53.9073 30.6141 175.2329 86 R 4.7843 8.3698 122.6435 54.1911 32.9495 175.9725 87 S 4.6474 8.6380 117.3336 58.4384 65.1626 171.7643 88 F 4.9966 8.6488 125.6237 57.7944 37.7698 176.2979 89 E 3.4945 9.1161 110.0782 56.7594 26.7257 174.1268 *97 T 4.4516 7.6261 108.5353 62.5219 70.0349 172.5729 98 V 4.5048 7.9390 119.6711 59.9849 35.4113 174.2820 99 V 4.7756 8.2563 120.9457 61.4968 32.9347 174.5310 100 E 4.9033 9.3759 126.4668 54.5764 34.3712 174.4732 101 V 4.5568 8.8547 121.2779 61.6922 33.0647 175.0567 102 E 4.5891 9.1357 129.2248 54.4958 28.6833 174.7982 103 V 3.8134 8.1351 122.6289 64.0050 31.7881 174.3322 104 D 4.8565 10.0729 127.2731 55.5060 42.8660 176.1717 105 E 4.9109 8.0000 115.0038 54.8911 34.1481 174.5016 106 I 5.4709 7.3764 120.8642 60.0636 41.4551 173.7503 107 G 4.0630 8.1309 110.8913 45.1776 0.0000 170.4501 108 P 4.9978 0.0000 0.0000 61.4216 32.3004 176.1026 109 S 4.1102 8.8209 121.1186 57.8785 62.7352 173.6640 110 L 4.5343 8.3552 127.5484 55.2580 41.4869 178.2801 111 R 3.8209 7.4745 122.5165 58.8673 29.9965 176.7573 112 Y 4.9219 7.6624 111.0202 57.1463 39.7051 173.8272 113 A 4.6612 7.6809 122.1496 51.4280 22.2546 175.1783 114 T 4.7350 8.0969 107.6241 60.2724 71.8932 172.8696 115 A 4.4804 8.2697 125.1777 51.5648 21.8976 177.1524 116 K 4.3645 8.3532 122.3198 52.7414 31.9472 176.6810 117 V 4.0034 8.0933 125.1726 61.3934 32.1740 175.9294 118 N 4.8517 8.3140 124.7834 50.6602 38.6809 174.3112 119 K 4.1277 8.2779 121.4272 56.2467 33.1303 177.2460 120 A 4.3077 8.2580 122.0082 52.4974 19.2122 176.2152 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 2 A 8.25 4.26 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 3 G 8.02 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 0.00 0.00 0.00 4 D 8.02 4.34 0.00 2.55 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 5 T 7.81 4.56 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 6 T 8.59 5.05 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 7 I 9.42 4.76 1.87 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 1.23 1.45 0.97 0.00 0.00 8 T 8.54 5.28 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 1.27 0.00 0.00 9 I 9.06 4.73 1.87 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 1.32 0.91 0.91 0.00 0.00 10 V 8.31 4.78 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.93 0.00 0.00 11 G 8.55 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 12 N 8.40 6.22 0.00 2.64 2.76 0.00 0.00 6.97 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.74 5.13 0.00 1.60 1.62 0.81 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.87 4.17 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 1.45 0.00 0.00 15 A 7.90 4.59 1.25 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 0.00 0.00 16 D 8.65 4.51 0.00 2.67 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 17 P 0.00 4.17 0.00 1.96 1.87 0.00 3.63 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.89 0.00 18 E 8.69 4.31 0.00 2.09 1.83 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 2.31 2.32 0.00 19 L 8.32 4.18 0.00 1.55 1.43 0.53 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.65 4.50 0.00 1.49 1.70 0.00 3.06 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 21 F 8.68 5.28 0.00 2.92 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 22 T 8.20 4.80 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 1.06 0.00 0.00 23 S 8.83 4.17 0.00 3.94 4.04 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 24 S 9.23 4.46 0.00 3.94 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 25 G 7.57 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.12 4.22 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.96 3.93 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 28 V 8.14 4.42 1.62 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 0.03 0.00 0.00 0.21 0.00 0.00 29 V 8.54 4.84 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 1.23 0.00 0.00 0.87 0.00 0.00 30 N 8.75 5.62 0.00 2.56 2.59 0.00 0.00 6.85 7.45 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 31 F 8.30 5.03 0.00 3.09 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 32 T 8.72 5.12 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 1.44 0.00 0.00 33 V 8.86 4.84 2.11 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 0.96 0.00 0.00 1.13 0.00 0.00 34 A 9.15 4.37 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 4.92 0.00 3.81 3.59 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 36 T 8.39 4.72 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 1.13 0.00 0.00 37 P 0.00 4.40 0.00 2.14 2.22 0.00 3.83 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 38 R 8.49 4.83 0.00 1.61 1.76 0.00 3.25 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.21 0.00 39 I 8.82 4.27 1.89 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 1.14 1.00 0.98 0.00 0.00 40 Y 8.88 4.48 0.00 2.88 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 41 D 8.30 4.98 0.00 2.82 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *47 W 7.55 4.50 0.00 2.54 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 0.00 0.00 0.00 0.00 48 K 8.36 3.93 0.00 1.44 1.75 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.06 7.81 49 D 8.68 4.95 0.00 2.54 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 50 G 8.28 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.79 4.16 0.00 2.13 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 2.30 2.30 0.00 52 A 8.43 4.26 1.21 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 0.00 0.00 53 L 9.12 4.71 0.00 1.65 1.60 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.84 5.08 0.00 2.88 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 55 L 8.60 4.77 0.00 1.57 1.51 0.91 0.73 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 56 R 8.46 4.65 0.00 1.88 1.70 0.00 3.10 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.56 0.00 57 C 8.59 5.12 0.00 1.25 2.32 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 58 N 9.05 5.36 0.00 2.88 2.72 0.00 0.00 6.32 8.06 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 59 I 9.08 4.91 2.15 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 1.43 1.87 1.21 0.00 0.00 60 W 9.08 5.18 0.00 3.24 3.19 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 61 R 8.90 3.66 0.00 2.12 1.84 0.00 3.21 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 62 E 9.12 3.95 0.00 2.01 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 2.45 2.38 0.00 63 A 8.24 3.99 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 64 A 7.87 3.95 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 65 E 7.84 3.86 0.00 2.14 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 2.57 0.00 66 N 8.26 4.30 0.00 2.89 2.85 0.00 0.00 6.72 7.19 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 67 V 7.78 3.45 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 0.47 0.00 0.00 0.88 0.00 0.00 68 A 7.67 3.93 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 69 E 8.09 3.99 0.00 1.97 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 0.00 2.31 2.34 0.00 70 S 8.01 4.35 0.00 3.80 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 71 L 7.51 4.38 0.00 1.42 1.47 0.73 0.74 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 72 T 7.81 4.70 4.35 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 1.19 0.00 0.00 73 R 9.48 3.88 0.00 1.87 2.19 0.00 3.10 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 74 G 8.94 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 75 A 7.45 4.12 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 76 R 8.65 4.77 0.00 2.08 1.88 0.00 3.37 0.00 0.00 3.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 77 V 9.26 5.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.03 0.00 0.00 78 I 8.76 4.92 1.87 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 1.10 0.87 0.91 0.00 0.00 79 V 9.29 5.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.09 0.00 0.00 80 T 8.53 5.02 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 81 G 7.85 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 0.00 0.00 0.00 0.00 82 R 7.96 5.54 0.00 1.76 1.94 0.00 3.58 0.00 0.00 3.27 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 83 L 8.02 4.82 0.00 1.55 1.59 0.92 0.80 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 84 K 9.33 4.73 0.00 1.60 1.63 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.38 7.81 85 Q 8.58 5.66 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 86 R 8.37 4.78 0.00 1.69 1.81 0.00 3.31 0.00 0.00 3.43 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.56 0.00 87 S 8.64 4.65 0.00 4.03 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 88 F 8.65 5.00 0.00 3.07 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 0.00 0.00 0.00 89 E 9.12 3.49 0.00 2.18 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.85 0.00 *97 T 7.63 4.45 4.33 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 1.33 0.00 0.00 98 V 7.94 4.50 1.84 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 0.66 0.00 0.00 0.82 0.00 0.00 99 V 8.26 4.78 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 0.81 0.00 0.00 0.93 0.00 0.00 100 E 9.38 4.90 0.00 1.84 1.74 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 2.16 2.17 0.00 101 V 8.85 4.56 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 1.05 0.00 0.00 0.90 0.00 0.00 102 E 9.14 4.59 0.00 1.90 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 0.00 2.31 2.37 0.00 103 V 8.14 3.81 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 0.86 0.00 0.00 1.05 0.00 0.00 104 D 10.07 4.86 0.00 2.71 2.81 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 0.00 105 E 8.00 4.91 0.00 1.97 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 2.23 2.39 0.00 106 I 7.38 5.47 1.96 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.92 0.92 0.00 0.00 107 G 8.13 4.06 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 0.00 0.00 0.00 108 P 0.00 5.00 0.00 1.93 1.98 0.00 3.67 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 1.98 2.04 0.00 109 S 8.82 4.11 0.00 3.84 3.89 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 0.00 110 L 8.36 4.53 0.00 1.64 1.63 0.90 0.95 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 0.00 111 R 7.47 3.82 0.00 1.44 1.48 0.00 2.95 0.00 0.00 2.82 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 112 Y 7.66 4.92 0.00 2.98 2.81 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 0.00 113 A 7.68 4.66 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 0.00 114 T 8.10 4.74 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 1.22 0.00 0.00 115 A 8.27 4.48 1.20 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 0.00 116 K 8.35 4.36 0.00 1.77 1.64 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.27 0.96 7.81 117 V 8.09 4.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.92 0.00 0.00 118 N 8.31 4.85 0.00 2.70 2.72 0.00 0.00 7.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 8.28 4.13 0.00 1.74 1.75 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.44 7.81 120 A 8.26 4.31 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.