NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 M 4.4815 8.3049 120.3503 55.4559 33.2038 174.3431 10 N 5.0614 8.2964 122.2023 50.3325 43.5363 171.4860 11 Y 5.4161 8.4535 118.5966 55.9433 42.0344 173.6296 12 E 4.8673 9.2718 118.9834 54.2572 33.7404 175.0323 13 E 4.1673 9.3418 125.0466 57.0787 29.9573 175.8410 14 V 4.5294 8.4965 118.6449 62.6337 34.3667 175.3450 15 F 5.1207 7.3416 112.7762 56.1908 41.1448 172.4489 16 S 5.2659 9.8378 113.0259 56.7185 66.8570 173.0421 17 I 5.2264 9.1222 121.3481 60.0673 41.1327 174.5531 18 T 5.0188 8.7781 124.0032 62.0874 70.1669 173.4585 19 I 4.7649 8.6300 121.2209 59.5183 40.5273 174.6692 20 T 4.9602 8.7766 121.8671 62.2433 70.2547 174.1545 21 V 4.7659 8.4209 119.6417 59.5922 34.6130 175.2316 22 D 4.7393 8.5600 123.6759 52.9073 42.7455 176.0327 23 K 4.2175 8.4016 119.3653 55.4619 32.6275 175.5462 24 P 4.5244 0.0000 0.0000 62.7786 32.4392 176.3577 25 I 4.1186 9.1531 125.6679 60.2114 37.9541 174.9565 26 L 4.3056 8.4767 130.4531 55.4625 42.1105 175.8901 27 I 4.1513 8.6768 128.1568 61.9348 37.8966 176.1295 28 G 4.0871 7.6270 105.6953 46.3514 0.0000 170.8025 29 Q 5.7299 8.7486 119.3595 55.8732 32.0769 172.7850 30 D 4.7831 8.3913 123.8997 52.5523 43.0728 174.8835 31 D 4.7988 8.7120 116.5259 53.6937 39.6541 176.0493 32 I 4.3030 7.7537 117.9331 63.3609 39.3048 177.2390 33 V 3.7942 8.5807 113.1550 62.8040 32.4638 175.6424 34 G 3.7775 7.8254 104.7418 43.8021 0.0000 171.0565 35 R 4.9591 8.7555 120.9656 54.7177 32.1139 176.2379 36 R 5.1432 8.8634 127.9395 54.8576 32.1442 174.8831 37 Q 5.0250 9.0450 122.9577 54.9566 32.8366 173.0947 38 L 5.0929 8.7184 120.3855 53.1904 44.4551 175.5491 39 I 4.5096 8.6918 125.5497 58.8576 38.9636 173.4866 40 P 4.7922 0.0000 0.0000 62.5510 32.6802 175.7198 41 I 4.3090 8.2217 125.1495 60.6833 37.4110 175.9373 42 I 4.0842 8.9991 129.7382 63.8552 37.5096 176.1998 43 S 4.5691 7.4493 113.8864 57.7529 66.5831 172.6078 44 G 4.3086 8.0402 103.4241 45.5569 0.0000 172.5208 45 K 5.0004 8.6609 122.0842 54.3385 34.9421 175.3260 46 V 4.8179 8.8402 126.3081 61.9636 33.2142 174.9545 47 S 5.2855 10.0762 123.2245 56.3217 67.4642 173.4960 48 G 4.4927 8.1108 111.3514 46.0915 0.0000 172.0942 49 N 4.5211 8.6773 118.1901 53.9439 38.4642 174.7769 50 N 4.2700 8.9520 122.6723 54.0201 37.7373 174.8271 51 F 4.6659 7.9273 115.0628 56.6736 40.5571 171.9893 52 N 5.3161 8.2502 120.5082 50.2917 42.8547 175.1402 53 G 3.6880 7.4236 107.5587 45.9737 0.0000 171.2664 54 K 5.1108 7.6488 118.0010 55.2844 36.6284 175.9763 55 V 4.5326 8.3361 114.3465 60.7245 32.6576 176.4087 56 L 4.5226 8.9621 124.8258 53.0584 43.0238 174.9730 57 P 4.3542 0.0000 0.0000 63.4772 31.7955 177.0485 58 G 3.9869 8.9703 107.7046 45.1212 0.0000 173.5473 59 G 4.0538 7.9015 107.6035 45.8627 0.0000 173.3192 60 I 5.2273 8.6351 124.2937 59.7334 42.1995 173.4221 61 D 5.2292 9.2380 127.1663 52.8636 42.9484 174.7709 62 S 4.9803 9.1743 122.1622 57.1780 64.0826 172.7529 63 Q 5.0983 9.0718 125.7307 54.0911 32.9889 174.1685 64 I 4.9407 8.7178 122.8945 59.2577 41.4611 174.0498 65 V 4.5807 8.6237 130.2405 61.5339 32.5005 175.9445 66 R 4.4255 9.2898 128.0610 55.2467 30.6807 176.1333 67 P 4.3935 0.0000 0.0000 65.8562 31.3172 177.4660 68 D 4.4647 7.9764 114.8001 54.0434 39.6096 176.9306 69 G 3.9770 8.4161 109.6346 44.9075 0.0000 173.9540 70 K 4.0823 8.5529 122.7474 56.7061 33.4046 174.9715 71 C 4.9980 9.0330 128.2576 58.0055 33.4802 171.7859 72 E 5.0483 9.3578 126.4686 54.6858 31.5509 174.9496 73 L 5.1348 8.9861 124.5632 52.9977 45.6870 175.9560 74 S 4.8753 9.4083 117.2812 57.0062 65.2820 172.1193 75 A 5.2768 9.2085 130.1398 50.4090 21.8096 175.6437 76 R 5.0331 8.7877 120.1323 54.7594 33.3774 174.4900 77 Y 5.3530 8.2770 120.9702 56.3078 42.0882 173.0455 78 A 5.4236 8.8235 120.1416 50.1293 23.0100 174.9840 79 I 5.0694 8.9272 113.2275 59.0083 41.6700 174.2451 80 R 4.9020 8.6949 123.6945 54.5628 32.8082 175.1619 81 L 4.6167 8.9429 126.9018 53.8628 42.8506 177.8881 82 D 4.3557 8.8152 120.7674 55.8076 39.4597 176.9839 83 D 4.5313 7.9602 118.1089 53.4033 39.5414 177.1913 84 G 3.8686 8.0891 109.0735 45.2493 0.0000 174.0610 85 A 4.1645 8.1021 122.5340 51.8621 19.3225 176.4428 86 A 5.1065 8.5004 123.4003 50.3696 21.7687 176.3344 87 I 4.5740 8.3836 120.5964 59.6815 41.1301 173.8895 88 Y 4.9734 9.0785 129.3101 56.7584 40.4171 174.0066 89 I 4.4204 8.5280 127.7013 59.1516 40.5917 173.9342 90 E 4.6258 8.3117 128.0254 54.3873 31.7336 173.9758 91 N 5.1568 9.2017 127.3475 51.9968 41.3341 172.8344 92 N 5.4202 8.4708 124.2405 51.9111 41.8092 174.2575 93 G 4.0400 8.3741 109.9742 46.2076 0.0000 171.8554 94 I 5.3398 8.3534 112.8756 59.2471 41.7710 174.5507 95 R 5.2374 9.1076 124.1711 54.9971 32.8868 174.1188 96 T 5.3328 9.3402 116.2614 60.1712 72.7962 172.9162 97 V 4.8345 8.1524 119.8087 59.4891 34.2178 172.3153 98 P 4.4893 0.0000 0.0000 62.8937 31.7209 176.9398 99 D 4.3732 8.5960 118.0023 57.1774 40.8363 178.6893 100 E 3.9303 7.9864 115.5079 58.3691 30.2232 176.7859 101 Y 4.5912 7.5465 117.1576 58.0884 38.2160 177.5107 102 I 3.8016 7.5651 122.8169 64.5616 37.3810 177.5810 103 E 4.0553 8.2032 117.7095 59.2167 29.6427 178.1798 104 A 4.1567 8.2086 121.0388 54.8881 18.5760 178.1802 105 V 3.8182 7.3081 114.0211 61.2273 32.1517 176.0854 *112 D 4.3202 8.2720 121.4710 52.9814 41.0568 173.3228 113 P 4.5425 0.0000 0.0000 65.5082 31.7794 177.3696 114 N 4.3101 8.3143 114.4414 56.8597 38.5100 176.2917 115 A 4.3982 7.4096 116.8608 52.9652 18.3781 177.0236 116 Y 4.5518 7.4742 115.3337 58.4091 38.9995 174.8749 117 Y 4.4884 9.1062 125.3319 56.7534 40.4400 174.2075 118 F 5.3263 8.3666 129.0506 56.6103 42.0623 173.0623 119 R 4.9347 8.6822 124.1174 54.4239 34.4602 174.5757 120 T 5.0135 8.5196 111.2083 60.3283 73.4500 172.5923 121 I 4.7467 8.8171 122.9164 58.9049 39.6592 173.4249 122 P 4.9663 0.0000 0.0000 62.0909 32.8500 175.5139 123 T 4.3553 8.0840 111.6774 59.8370 71.6476 172.7319 124 F 5.3717 8.4677 122.0701 55.6849 42.2248 174.3698 125 E 4.6626 9.1887 122.5630 54.6536 32.2858 174.6717 126 T 4.3248 8.1207 115.6709 59.5295 72.3728 172.9078 127 Y 4.8971 7.9769 117.1588 57.1509 39.7080 175.4681 128 S 4.7421 7.8036 112.2810 56.6133 65.7101 173.5576 129 P 4.2848 0.0000 0.0000 65.6866 31.2901 178.6292 130 K 3.8354 8.1458 117.8739 58.8396 32.2237 176.4765 131 Y 4.6281 7.9796 114.0171 57.3029 38.8662 177.5296 132 K 4.0318 8.1277 121.8257 58.8157 32.0046 178.8108 133 W 4.5093 8.5697 116.9738 60.2301 27.4130 177.9035 134 M 4.0765 7.3240 117.9328 57.4029 31.3654 177.4413 135 M 4.5318 7.9028 117.0854 55.5947 32.5242 176.1027 136 N 5.1128 8.0770 115.0345 52.8768 40.1647 173.5935 137 H 5.0424 8.2894 114.2325 53.8180 32.7543 172.8671 138 I 4.4132 8.0395 121.9827 61.0986 38.4226 175.0256 139 F 5.4500 8.9398 123.3643 55.8182 43.0994 174.3978 140 V 4.6525 8.8926 119.7308 61.5198 35.2418 173.8080 141 C 4.9518 8.8778 124.6785 58.1870 30.7557 172.3368 142 C 4.8425 8.6265 120.4791 58.0340 29.8942 172.8665 143 A 4.9192 7.9516 124.1367 50.0882 22.3628 175.0380 144 S 4.5992 8.6153 112.8778 56.7725 66.1989 172.5294 145 R 4.9830 8.6405 127.0908 54.7053 31.1587 175.0481 146 L 4.8959 8.8742 125.6738 51.9517 45.0571 175.8467 147 P 4.2500 0.0000 0.0000 65.3438 31.3825 177.5707 148 E 4.6354 8.0298 116.5571 55.2430 30.1941 173.8236 149 N 5.3476 7.6658 113.4675 51.8655 41.3199 173.3274 150 V 4.9556 8.5268 111.9106 59.5449 35.8259 174.8022 151 L 5.0638 8.8702 124.4204 52.9724 44.2230 175.4223 152 L 4.8637 9.1350 123.7208 52.6438 45.4474 175.5744 153 K 4.7902 8.6145 122.5451 54.5130 35.3677 174.9438 154 F 4.8190 8.8084 124.0980 55.9401 41.2452 174.3784 155 Y 5.1952 9.0701 121.2620 56.0039 41.2421 174.6855 156 K 4.0436 9.2823 126.3207 55.7693 33.7656 175.5637 157 I 4.4490 8.3575 129.4610 60.8950 37.8896 176.2213 158 S 4.4499 8.8003 122.9415 58.6637 62.4469 174.2776 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 9 M 8.30 4.48 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.68 0.00 10 N 8.30 5.06 0.00 2.66 2.50 0.00 0.00 6.60 6.59 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 11 Y 8.45 5.42 0.00 3.04 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 9.27 4.87 0.00 1.92 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 2.20 2.34 0.00 13 E 9.34 4.17 0.00 2.10 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 2.17 1.85 0.00 14 V 8.50 4.53 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 1.05 0.00 0.00 1.12 0.00 0.00 15 F 7.34 5.12 0.00 3.29 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 9.84 5.27 0.00 3.96 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 17 I 9.12 5.23 2.13 0.00 0.00 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 1.57 1.08 1.06 0.00 0.00 18 T 8.78 5.02 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 19 I 8.63 4.76 1.74 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.65 0.79 0.00 0.00 20 T 8.78 4.96 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 1.26 0.00 0.00 21 V 8.42 4.77 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 0.60 0.00 0.00 0.94 0.00 0.00 22 D 8.56 4.74 0.00 2.68 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 23 K 8.40 4.22 0.00 1.79 1.73 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.46 7.81 24 P 0.00 4.52 0.00 2.00 1.98 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 25 I 9.15 4.12 1.88 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 1.12 0.90 0.92 0.00 0.00 26 L 8.48 4.31 0.00 1.64 1.58 0.99 1.09 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 27 I 8.68 4.15 1.96 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 1.28 0.98 0.92 0.00 0.00 28 G 7.63 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 29 Q 8.75 5.73 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 30 D 8.39 4.78 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.71 4.80 0.00 2.80 2.80 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 32 I 7.75 4.30 1.98 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 1.41 0.66 0.91 0.00 0.00 33 V 8.58 3.79 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 0.65 0.00 0.00 1.00 0.00 0.00 34 G 7.83 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.76 4.96 0.00 2.01 1.79 0.00 3.08 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 36 R 8.86 5.14 0.00 1.96 1.76 0.00 3.19 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 37 Q 9.05 5.03 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.55 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 38 L 8.72 5.09 0.00 1.62 1.61 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.69 4.51 1.87 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 1.06 0.90 0.00 0.00 40 P 0.00 4.79 0.00 2.07 1.97 0.00 3.58 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 41 I 8.22 4.31 1.82 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.45 0.77 0.00 0.00 42 I 9.00 4.08 2.01 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 1.28 0.52 0.91 0.00 0.00 43 S 7.45 4.57 0.00 3.85 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 44 G 8.04 4.31 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 0.00 45 K 8.66 5.00 0.00 1.69 1.75 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.50 7.81 46 V 8.84 4.82 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 1.05 0.00 0.00 0.99 0.00 0.00 47 S 10.08 5.29 0.00 3.82 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 48 G 8.11 4.49 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 0.00 49 N 8.68 4.52 0.00 2.79 2.85 0.00 0.00 6.88 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 50 N 8.95 4.27 0.00 2.86 2.96 0.00 0.00 6.95 7.02 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 51 F 7.93 4.67 0.00 3.08 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 52 N 8.25 5.32 0.00 2.89 2.64 0.00 0.00 6.75 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 53 G 7.42 3.69 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 0.00 0.00 0.00 54 K 7.65 5.11 0.00 1.80 1.85 0.00 1.30 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.38 7.81 55 V 8.34 4.53 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 0.75 0.00 0.00 0.94 0.00 0.00 56 L 8.96 4.52 0.00 1.66 1.63 0.92 1.18 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 57 P 0.00 4.35 0.00 2.05 2.00 0.00 3.67 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 2.03 2.09 0.00 58 G 8.97 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 0.00 0.00 0.00 59 G 7.90 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 60 I 8.64 5.23 1.93 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 1.16 1.26 0.94 0.00 0.00 61 D 9.24 5.23 0.00 2.72 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 9.17 4.98 0.00 3.91 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 9.07 5.10 0.00 2.13 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 64 I 8.72 4.94 1.88 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 1.12 1.24 0.97 0.00 0.00 65 V 8.62 4.58 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 1.02 0.00 0.00 0.92 0.00 0.00 66 R 9.29 4.43 0.00 2.06 1.84 0.00 3.36 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 67 P 0.00 4.39 0.00 2.04 2.13 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 68 D 7.98 4.46 0.00 2.79 2.79 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 0.00 0.00 0.00 0.00 69 G 8.42 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 0.00 0.00 0.00 0.00 70 K 8.55 4.08 0.00 1.86 1.81 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.42 7.81 71 C 9.03 5.00 0.00 3.00 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 72 E 9.36 5.05 0.00 1.90 1.85 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 2.25 2.27 0.00 73 L 8.99 5.13 0.00 1.64 1.72 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 74 S 9.41 4.88 0.00 3.83 3.70 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 75 A 9.21 5.28 1.46 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 0.00 0.00 76 R 8.79 5.03 0.00 1.87 2.02 0.00 3.25 0.00 0.00 3.37 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 77 Y 8.28 5.35 0.00 3.12 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.82 5.42 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 79 I 8.93 5.07 1.88 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.76 1.06 0.00 0.00 80 R 8.69 4.90 0.00 1.80 1.72 0.00 3.04 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 81 L 8.94 4.62 0.00 1.48 1.37 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.82 4.36 0.00 2.70 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 83 D 7.96 4.53 0.00 2.83 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 84 G 8.09 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.10 4.16 1.04 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 0.00 0.00 86 A 8.50 5.11 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 87 I 8.38 4.57 1.65 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.32 0.69 0.00 0.00 88 Y 9.08 4.97 0.00 3.14 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 89 I 8.53 4.42 0.84 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 1.23 0.37 0.51 0.00 0.00 90 E 8.31 4.63 0.00 1.76 1.60 0.00 0.00 0.00 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 2.32 0.00 91 N 9.20 5.16 0.00 2.85 2.76 0.00 0.00 6.56 6.57 0.00 0.00 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 N 8.47 5.42 0.00 2.67 2.67 0.00 0.00 6.31 7.47 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 93 G 8.37 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 0.00 0.00 0.00 94 I 8.35 5.34 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.99 0.97 0.00 0.00 95 R 9.11 5.24 0.00 1.11 1.46 0.00 2.21 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 96 T 9.34 5.33 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 1.29 0.00 0.00 97 V 8.15 4.83 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 0.76 0.00 0.00 0.69 0.00 0.00 98 P 0.00 4.49 0.00 2.33 2.32 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.11 0.00 99 D 8.60 4.37 0.00 2.74 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.99 3.93 0.00 1.83 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 1.47 1.68 0.00 101 Y 7.55 4.59 0.00 2.93 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.57 3.80 1.99 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 1.33 0.73 0.96 0.00 0.00 103 E 8.20 4.06 0.00 1.95 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 2.31 2.25 0.00 104 A 8.21 4.16 1.39 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 0.00 0.00 0.00 105 V 7.31 3.82 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 0.78 0.00 0.00 0.99 0.00 0.00 *112 D 8.27 4.32 0.00 2.71 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 0.00 0.00 0.00 113 P 0.00 4.54 0.00 2.13 2.22 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 114 N 8.31 4.31 0.00 2.77 2.87 0.00 0.00 7.00 7.16 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 0.00 115 A 7.41 4.40 1.12 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 0.00 0.00 116 Y 7.47 4.55 0.00 2.81 2.83 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 0.00 117 Y 9.11 4.49 0.00 3.13 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 0.00 118 F 8.37 5.33 0.00 2.81 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 0.00 119 R 8.68 4.93 0.00 1.54 1.55 0.00 3.04 0.00 0.00 2.97 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.89 0.00 120 T 8.52 5.01 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 1.11 0.00 0.00 121 I 8.82 4.75 1.85 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 1.28 1.08 0.95 0.00 0.00 122 P 0.00 4.97 0.00 1.14 2.00 0.00 3.85 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.08 0.00 123 T 8.08 4.36 4.13 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 0.00 0.00 0.00 1.12 0.00 0.00 124 F 8.47 5.37 0.00 2.84 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 E 9.19 4.66 0.00 2.10 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 1.92 2.19 0.00 126 T 8.12 4.32 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 0.95 0.00 0.00 127 Y 7.98 4.90 0.00 2.97 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 0.00 128 S 7.80 4.74 0.00 4.05 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.28 0.00 2.22 2.18 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 130 K 8.15 3.84 0.00 1.58 1.66 0.00 1.43 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.30 1.07 7.81 131 Y 7.98 4.63 0.00 2.96 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 0.00 132 K 8.13 4.03 0.00 1.83 1.91 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.70 1.64 7.81 133 W 8.57 4.51 0.00 3.73 3.42 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 0.00 134 M 7.32 4.08 0.00 1.21 1.72 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.00 135 M 7.90 4.53 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.66 0.00 136 N 8.08 5.11 0.00 2.81 2.80 0.00 0.00 6.70 8.16 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 0.00 137 H 8.29 5.04 0.00 3.09 2.99 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.04 4.41 1.88 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 1.38 0.91 0.95 0.00 0.00 139 F 8.94 5.45 0.00 2.95 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 0.00 140 V 8.89 4.65 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 0.95 0.00 0.00 0.92 0.00 0.00 141 C 8.88 4.95 0.00 2.50 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 0.00 142 C 8.63 4.84 0.00 2.90 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 0.00 143 A 7.95 4.92 -0.14 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 0.00 0.00 144 S 8.62 4.60 0.00 3.80 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 0.00 145 R 8.64 4.98 0.00 1.60 1.23 0.00 2.99 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 146 L 8.87 4.90 0.00 2.00 1.55 0.95 1.04 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 0.00 147 P 0.00 4.25 0.00 2.05 2.13 0.00 3.64 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 2.04 2.10 0.00 148 E 8.03 4.64 0.00 1.96 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 0.00 2.26 2.40 0.00 149 N 7.67 5.35 0.00 3.01 2.85 0.00 0.00 6.77 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 8.53 4.96 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 0.77 0.00 0.00 0.90 0.00 0.00 151 L 8.87 5.06 0.00 1.49 1.52 0.92 0.39 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 0.00 152 L 9.14 4.86 0.00 1.58 1.01 1.07 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 153 K 8.61 4.79 0.00 1.50 1.21 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.22 1.29 7.81 154 F 8.81 4.82 0.00 1.99 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 0.00 155 Y 9.07 5.20 0.00 2.90 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 0.00 156 K 9.28 4.04 0.00 1.95 1.74 0.00 1.43 0.00 0.00 1.83 0.00 0.00 2.80 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.29 0.96 7.81 157 I 8.36 4.45 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.95 0.99 0.00 0.00 158 S 8.80 4.45 0.00 3.73 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 * Residues marked with a * may have inaccurate shift predictions.