NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 R 4.3781 8.2549 119.7113 56.0517 31.2581 174.5322 10 I 4.4031 8.2442 123.5730 58.7295 40.3658 173.6308 11 A 4.8197 8.9368 127.8259 51.8769 20.8692 176.1673 12 G 4.6604 9.5577 107.0714 44.6127 0.0000 171.6061 13 F 5.3149 9.6463 124.0887 56.4116 42.7938 173.1441 14 R 5.0009 8.6019 127.7607 54.5726 31.8250 174.8625 15 F 4.9883 8.7080 120.6430 55.5634 41.7729 173.2733 16 S 4.5643 9.0320 115.0750 56.5104 66.1662 173.5665 17 L 4.6946 7.9466 121.6371 53.3892 43.6706 176.0289 18 Y 4.6465 9.0782 121.6923 55.8127 39.3914 173.8529 19 P 4.8005 0.0000 0.0000 62.2635 32.4184 175.7512 *21 T 4.2003 8.1398 116.5529 62.8746 68.1676 174.4660 22 D 4.6913 8.6238 124.0134 57.0083 41.4357 176.2288 23 D 4.7550 8.0171 119.0336 54.5710 41.8212 178.4840 24 F 4.3874 8.3633 115.7670 59.4869 38.3278 176.1786 25 I 3.3599 6.2690 119.8208 64.2363 36.9752 178.1561 26 S 4.0683 7.7708 113.1719 61.1459 62.2650 176.2273 27 V 3.5597 7.5598 120.5843 65.9571 31.0556 178.0553 28 I 3.6996 8.1877 119.8931 64.2978 36.9907 178.3303 29 K 3.8810 8.2952 119.6433 59.6570 31.8863 179.1595 30 S 4.0236 7.9374 112.6395 61.5049 62.1066 176.1107 31 A 4.0426 7.6321 121.4938 55.0213 17.8891 179.1898 32 L 4.1678 7.7330 117.0967 57.5497 41.6405 179.2902 33 A 3.8317 7.9230 119.7834 54.7843 18.4788 179.2493 34 A 3.9147 8.1245 119.0472 54.3924 18.6891 178.4072 35 T 4.0480 6.5491 112.8865 63.1581 69.2393 174.5699 36 D 4.5329 8.7605 125.0212 54.0005 40.4054 175.7396 37 T 4.5252 8.1612 117.5738 61.4585 69.1933 176.5627 38 S 4.2346 8.1651 116.9325 60.1081 63.4986 174.6824 39 K 3.3188 7.5857 119.1102 55.7281 32.1799 175.9529 40 V 4.8613 7.0352 111.0919 59.1214 35.6052 175.2784 41 W 4.5681 9.3650 135.0000 57.7177 31.7150 175.0506 42 T 5.3986 7.3975 115.0960 59.0108 72.0141 173.1574 43 K 4.1362 7.8948 123.0068 55.6194 35.5607 174.3146 44 T 4.9091 8.4141 124.2460 61.8406 71.4273 173.2616 45 D 4.9573 8.6809 124.8045 51.5429 42.4821 175.6783 46 H 4.3133 8.9617 113.1593 57.4846 28.6954 175.4560 47 I 4.2504 8.3750 120.2001 62.5166 39.1538 175.2074 48 S 4.4848 7.5488 110.8428 57.4432 67.0776 172.7675 49 T 4.9260 8.1805 116.8132 61.4636 71.5823 173.7726 50 V 4.9017 8.4198 124.5386 59.9284 34.3209 174.3783 51 L 5.4556 9.2742 124.1527 53.1521 44.8494 175.7006 52 R 5.1619 9.3077 121.4440 54.5504 34.1454 174.5814 53 G 4.3852 8.4361 112.3673 45.2852 0.0000 172.5551 54 S 4.7370 8.1917 117.4520 57.8626 65.4927 175.3048 55 I 3.9718 8.2954 122.8292 64.7689 36.8951 178.4330 56 D 4.4318 8.1183 119.2490 57.7998 40.7371 178.4799 57 H 4.4033 8.2135 116.2838 58.6907 28.6775 178.1167 58 V 3.6780 8.4281 120.5860 66.1670 31.3841 178.2319 59 F 3.8722 8.4035 117.6330 60.1600 38.8116 177.1422 60 D 4.2483 8.3919 117.5957 57.3898 40.9964 178.2743 61 A 3.9142 8.0696 120.7960 55.0216 18.4118 179.2536 62 A 3.6885 8.1614 119.6842 55.2555 18.3233 179.7529 63 K 2.4800 7.8559 118.0573 59.0452 32.0153 178.9000 64 A 3.8465 7.6846 120.7962 54.9847 18.2115 179.4796 65 I 3.6602 7.9905 118.8062 64.7198 36.7285 177.8592 66 Y 4.0882 7.9138 120.0101 60.7441 38.6946 177.8195 67 L 3.8977 8.1760 120.1627 58.3492 41.5686 179.4727 68 H 4.1271 8.0263 114.0984 58.8498 28.8956 177.3905 69 A 4.0926 8.2359 122.5527 55.1407 18.1899 179.4969 70 A 3.8073 7.9614 119.5112 55.1891 18.2214 178.8459 71 N 4.6050 7.8413 111.9382 53.9593 38.8224 176.9590 72 S 4.2048 7.6222 116.1688 59.1341 62.9655 174.4146 73 E 3.7811 7.6832 120.2110 57.1897 27.6422 173.9867 74 Q 4.5666 7.9635 117.5214 54.0561 30.7122 174.9342 75 H 4.7291 8.7598 120.7376 56.7282 30.3849 174.4445 76 I 4.8479 8.5603 119.0033 59.3948 41.0806 174.9872 77 V 5.6736 8.2665 124.6394 60.7822 35.3350 172.7556 *79 N 5.0434 8.6782 116.4632 54.2419 40.4653 175.1067 80 G 4.0203 8.5664 111.7470 46.2485 0.0000 171.6253 81 T 5.1634 8.3657 116.1958 61.6941 71.7303 174.1920 82 F 5.1194 9.1190 125.5512 57.4568 40.8316 174.7539 83 S 5.3232 9.5811 116.7607 57.2110 65.9529 172.5829 84 I 5.0849 8.7340 125.7975 60.2448 41.9374 175.5707 85 G 4.6078 8.9550 112.5295 46.6834 0.0000 173.4751 86 C 3.6779 8.0468 117.2495 58.9656 28.5480 171.7252 87 P 4.3104 0.0000 0.0000 65.8745 31.1477 177.9761 88 G 3.8392 7.6993 107.5281 43.9774 0.0000 173.5924 89 D 4.6256 7.6409 117.9180 52.4444 42.2690 175.9018 90 T 3.9997 8.3296 116.9598 62.1724 69.1523 174.1394 91 Q 4.1369 8.4636 121.3231 57.5465 29.5639 176.6493 92 G 3.7167 7.0292 103.3585 46.0245 0.0000 172.1167 93 D 3.3700 8.0981 114.4553 54.1422 37.9604 173.3583 94 T 4.9472 7.0480 105.2856 60.4633 71.9417 172.3758 95 Y 4.4481 8.6153 124.0342 56.6801 39.4057 175.6925 96 L 3.7042 7.8165 125.2276 56.2386 41.6687 176.7255 *101 K 4.0103 7.7828 119.6085 56.0940 32.7361 176.5176 102 R 4.3179 8.2576 126.3545 55.9481 27.7677 177.6227 103 V 3.7353 8.0139 115.4261 63.4726 32.0385 177.1030 104 N 4.6716 8.3482 116.0284 53.9145 39.3091 176.9088 105 E 3.9296 7.9737 117.5991 59.6751 29.5132 178.0751 106 D 4.3416 7.9795 117.6017 57.0541 41.2325 178.3002 107 A 4.0341 7.8170 122.6067 54.9169 18.6484 178.5193 108 V 4.3076 7.4840 106.7181 60.9070 32.6522 177.2673 109 R 3.8695 8.4064 122.6452 59.5439 29.7803 178.0722 110 G 3.7293 7.9613 104.2464 47.2752 0.0000 173.4726 111 L 4.4692 7.5502 120.0306 53.8256 42.7029 176.2822 112 K 4.7165 8.1080 119.7397 55.0704 36.3800 175.4326 113 A 4.7891 8.2013 119.7347 50.7601 23.0006 175.6579 114 E 4.5717 8.9499 118.9698 55.7125 30.6061 176.8618 115 A 5.0239 8.7696 123.2358 48.5325 18.0408 174.6224 116 P 4.4599 0.0000 0.0000 63.5218 33.0377 176.8533 117 C 5.5205 8.7755 121.6444 58.2349 35.6532 172.2558 118 Q 5.3873 8.9451 124.8173 54.2146 31.0782 174.5112 119 F 5.6305 9.8090 118.7978 55.2211 41.9889 173.8830 120 A 4.4446 8.6239 120.2703 50.4591 22.2077 175.3249 121 L 4.5302 8.0682 124.4688 53.5830 44.1406 175.5361 122 Y 4.8250 9.4507 125.4664 55.8269 39.5369 174.3277 123 P 4.4121 0.0000 0.0000 61.8384 33.4036 175.6393 *125 N 4.3906 8.2772 113.4934 54.0235 39.9410 175.4853 126 E 4.5629 7.5706 118.4737 53.7668 32.1644 173.6059 127 P 4.3832 0.0000 0.0000 65.6259 31.8942 176.8737 128 D 4.7817 8.2716 116.6282 54.3027 40.9661 177.0191 129 Y 4.2715 8.1168 117.3434 57.0054 37.8250 178.9660 *131 G 3.8095 8.2461 110.3577 46.6959 0.0000 175.0902 132 L 4.1301 7.8018 120.0204 57.6811 41.9607 179.5422 133 I 3.9772 7.9140 119.2077 61.5927 36.7430 177.8565 *135 E 4.1048 8.4512 121.8327 56.2696 31.4245 177.3038 136 A 4.0257 8.0252 120.3301 55.3054 18.3347 179.6767 137 V 3.4729 7.5460 116.0871 66.2427 31.4246 177.9156 138 D 4.2232 7.8351 117.9945 57.3067 40.6425 178.5087 139 I 3.7650 7.9559 120.1822 64.5513 37.1586 178.2120 140 A 4.0358 7.9775 121.2558 55.0842 18.0681 179.9076 141 K 3.9375 8.1403 116.6795 59.7472 31.9998 179.2880 142 A 3.9738 8.5432 120.6180 54.9113 18.3057 178.6910 143 Q 4.4166 8.1479 113.5168 55.0595 29.2277 176.5613 144 G 3.9668 7.9847 108.4470 46.3737 0.0000 174.6864 145 T 4.5845 7.9110 110.8582 61.6561 70.4615 174.6834 146 F 4.5717 8.3727 125.4991 58.8136 39.4732 174.1084 147 V 4.0745 7.9198 126.2650 63.4846 32.7808 175.2663 148 Q 4.2038 6.1362 115.5026 55.6457 31.1014 172.1687 149 G 4.5110 8.8359 106.8341 44.8053 0.0000 173.4196 150 V 4.5393 8.5192 115.5916 58.7686 35.6680 174.8019 151 H 3.6903 8.4056 117.8875 58.0486 28.4141 175.7048 152 Y 4.0273 9.8105 120.7621 58.0675 35.6908 168.1111 153 A 4.6746 7.6932 120.2760 51.3619 23.6198 175.2140 154 S 4.9984 8.8895 115.0904 56.8766 66.5853 173.5156 155 E 5.1707 8.8611 122.9696 55.0611 31.2390 175.6638 156 L 5.1076 8.8283 125.0694 53.8096 44.3915 174.9598 157 D 4.7731 8.7172 119.0058 52.7407 45.2989 175.4641 158 G 4.0093 8.2419 110.7802 44.5005 0.0000 171.1732 159 D 4.9311 7.9421 117.7608 53.6259 43.1205 176.4761 160 A 4.1719 9.0828 126.5290 55.9805 18.3162 179.7273 161 H 4.0352 8.9191 116.3114 59.6959 29.9297 177.2059 162 D 4.4161 8.0863 119.9467 56.9535 40.9413 178.7561 163 V 3.4012 7.8137 118.6900 66.1861 31.4509 178.2207 164 F 3.9869 8.3741 117.5784 60.2669 38.6540 177.5551 165 S 3.9753 8.1073 112.9680 61.6388 62.0703 176.3258 166 T 3.8001 8.1455 118.5674 66.6899 68.2166 176.2624 167 L 3.6376 7.4872 120.6795 58.0059 41.5691 179.4808 168 E 2.6967 7.5526 118.4669 58.3932 29.1586 178.3901 169 A 3.9240 7.3808 120.0163 55.2235 18.5327 179.2489 170 V 3.6999 8.1167 115.6354 66.2346 31.8984 177.6508 171 F 4.3372 8.5426 120.4898 61.3125 39.1361 177.9459 172 R 3.8591 8.4195 114.4218 56.9284 29.6614 178.3308 *174 A 4.1659 7.8851 122.8451 52.2740 20.2225 179.5653 175 E 3.9920 7.7455 114.5968 58.9471 29.7698 178.1578 176 Q 4.1670 7.7075 116.7973 58.1683 29.0918 176.9722 177 Q 4.2809 7.8406 115.2074 57.1369 29.6583 175.2215 178 T 4.7064 7.7009 109.9611 60.0978 71.0715 173.1892 179 N 4.3886 8.6348 122.9133 55.8432 39.1841 174.2425 180 H 5.3856 8.1505 118.0415 54.1905 31.5083 172.5913 181 I 4.8250 8.2410 120.5530 59.1729 40.2190 174.7980 182 T 6.0351 8.9882 112.7558 59.3911 72.3090 172.5436 *184 T 4.6579 8.2793 109.4956 62.5744 70.7307 173.2477 185 V 5.0420 9.0457 115.2179 60.1462 37.0018 174.1988 186 N 5.2463 9.0812 121.7774 52.2363 41.6566 172.4545 187 L 5.2201 8.5889 126.1524 52.7702 44.7823 175.3536 188 S 5.1542 8.8951 118.7009 56.5120 64.3209 172.8928 189 A 4.8635 9.0228 128.8488 50.6766 21.9998 175.7462 190 N 4.4557 8.8427 115.7964 54.0265 37.0400 174.9735 191 S 3.9113 7.9725 112.2139 57.8775 62.9338 172.4991 192 P 4.6499 0.0000 0.0000 63.5432 31.7188 177.1598 193 S 4.2778 7.6155 115.7449 61.2775 63.1684 174.4499 194 R 4.0998 7.5745 123.4345 56.5902 29.7373 176.2349 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 R 8.25 4.38 0.00 1.85 2.01 0.00 3.13 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 10 I 8.24 4.40 1.92 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 1.40 0.77 0.99 0.00 0.00 11 A 8.94 4.82 1.56 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 0.00 0.00 12 G 9.56 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 F 9.65 5.31 0.00 2.65 2.77 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 14 R 8.60 5.00 0.00 1.89 1.67 0.00 3.09 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.52 0.00 15 F 8.71 4.99 0.00 2.71 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 16 S 9.03 4.56 0.00 3.11 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 17 L 7.95 4.69 0.00 1.44 1.56 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 9.08 4.65 0.00 2.92 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 19 P 0.00 4.80 0.00 2.23 2.02 0.00 3.84 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 2.38 2.14 0.00 *21 T 8.14 4.20 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 22 D 8.62 4.69 0.00 2.75 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 23 D 8.02 4.75 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.36 4.39 0.00 3.43 3.57 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 0.00 0.00 0.00 0.00 25 I 6.27 3.36 1.48 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.36 0.75 0.00 0.00 26 S 7.77 4.07 0.00 3.80 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 27 V 7.56 3.56 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 1.00 0.00 0.00 1.03 0.00 0.00 28 I 8.19 3.70 1.87 0.00 0.00 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 1.51 0.65 0.87 0.00 0.00 29 K 8.30 3.88 0.00 1.79 1.82 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.39 7.81 30 S 7.94 4.02 0.00 3.98 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 31 A 7.63 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.73 4.17 0.00 1.80 1.71 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.92 3.83 1.28 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 34 A 8.12 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 6.55 4.05 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 36 D 8.76 4.53 0.00 2.62 2.71 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 37 T 8.16 4.53 4.21 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 1.20 0.00 0.00 38 S 8.17 4.23 0.00 3.88 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 39 K 7.59 3.32 0.00 1.37 1.04 0.00 0.73 0.00 0.00 1.07 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.06 0.97 7.81 40 V 7.04 4.86 2.22 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 0.77 0.00 0.00 1.02 0.00 0.00 41 W 9.36 4.57 0.00 3.40 3.35 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 42 T 7.40 5.40 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 1.17 0.00 0.00 43 K 7.89 4.14 0.00 0.97 1.45 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.25 1.30 7.81 44 T 8.41 4.91 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 1.10 0.00 0.00 45 D 8.68 4.96 0.00 2.86 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 46 H 8.96 4.31 0.00 3.29 3.44 0.00 5.48 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.37 4.25 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.29 0.86 0.00 0.00 48 S 7.55 4.48 0.00 3.76 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 49 T 8.18 4.93 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 50 V 8.42 4.90 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 0.95 0.00 0.00 1.11 0.00 0.00 51 L 9.27 5.46 0.00 1.74 1.74 1.04 0.91 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 52 R 9.31 5.16 0.00 2.17 1.97 0.00 3.29 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 53 G 8.44 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 0.00 0.00 0.00 0.00 54 S 8.19 4.74 0.00 4.10 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 55 I 8.30 3.97 1.98 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.75 1.11 0.00 0.00 56 D 8.12 4.43 0.00 2.70 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 57 H 8.21 4.40 0.00 3.47 3.47 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.43 3.68 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 1.14 0.00 0.00 1.16 0.00 0.00 59 F 8.40 3.87 0.00 3.26 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.39 4.25 0.00 2.84 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 61 A 8.07 3.91 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.16 3.69 1.05 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 63 K 7.86 2.48 0.00 0.83 1.41 0.00 1.56 0.00 0.00 1.47 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.15 0.87 7.81 64 A 7.68 3.85 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 65 I 7.99 3.66 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.75 1.03 0.00 0.00 66 Y 7.91 4.09 0.00 3.24 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.18 3.90 0.00 1.69 1.62 0.87 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.03 4.13 0.00 3.10 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.24 4.09 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 70 A 7.96 3.81 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 71 N 7.84 4.61 0.00 2.77 2.86 0.00 0.00 7.08 7.53 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 72 S 7.62 4.20 0.00 3.99 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 73 E 7.68 3.78 0.00 2.17 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 0.00 2.25 2.26 0.00 74 Q 7.96 4.57 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 75 H 8.76 4.73 0.00 3.27 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.56 4.85 1.89 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 1.14 0.60 0.99 0.00 0.00 77 V 8.27 5.67 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 1.52 0.00 0.00 1.01 0.00 0.00 *79 N 8.68 5.04 0.00 3.17 3.13 0.00 0.00 6.65 8.28 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 80 G 8.57 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.37 5.16 4.29 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 1.39 0.00 0.00 82 F 9.12 5.12 0.00 3.08 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 9.58 5.32 0.00 4.05 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 84 I 8.73 5.08 2.26 0.00 0.00 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 1.25 1.64 0.76 0.00 0.00 85 G 8.96 4.61 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 86 C 8.05 3.68 0.00 2.93 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 87 P 0.00 4.31 0.00 2.15 2.18 0.00 3.55 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 1.96 1.96 0.00 88 G 7.70 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 0.00 0.00 0.00 89 D 7.64 4.63 0.00 2.86 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 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4.22 0.00 2.88 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.96 3.77 2.01 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 1.43 0.74 0.88 0.00 0.00 140 A 7.98 4.04 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 0.00 0.00 0.00 0.00 0.00 141 K 8.14 3.94 0.00 1.86 1.82 0.00 1.26 0.00 0.00 1.46 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.26 7.81 142 A 8.54 3.97 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 0.00 143 Q 8.15 4.42 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.26 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 144 G 7.98 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 T 7.91 4.58 4.21 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 1.30 0.00 0.00 146 F 8.37 4.57 0.00 3.05 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.92 4.07 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 0.71 0.00 0.00 0.83 0.00 0.00 148 Q 6.14 4.20 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 149 G 8.84 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 8.52 4.54 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 0.90 0.00 0.00 0.95 0.00 0.00 151 H 8.41 3.69 0.00 2.92 2.28 0.00 5.75 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 0.00 152 Y 9.81 4.03 0.00 3.28 3.22 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 0.00 153 A 7.69 4.67 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 0.00 154 S 8.89 5.00 0.00 3.20 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.86 5.17 0.00 1.88 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 2.24 2.21 0.00 156 L 8.83 5.11 0.00 1.47 1.56 0.33 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.72 4.77 0.00 2.67 2.41 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 0.00 158 G 8.24 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.94 4.93 0.00 2.85 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 A 9.08 4.17 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 0.00 0.00 0.00 0.00 0.00 161 H 8.92 4.04 0.00 3.22 3.52 0.00 5.58 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 0.00 162 D 8.09 4.42 0.00 2.75 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 0.00 163 V 7.81 3.40 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 0.72 0.00 0.00 0.98 0.00 0.00 164 F 8.37 3.99 0.00 3.29 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 0.00 165 S 8.11 3.98 0.00 3.83 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 T 8.15 3.80 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 1.07 0.00 0.00 167 L 7.49 3.64 0.00 1.55 1.56 0.36 0.04 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 0.00 168 E 7.55 2.70 0.00 1.16 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 1.61 1.47 0.00 169 A 7.38 3.92 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 0.00 170 V 8.12 3.70 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 1.04 0.00 0.00 1.11 0.00 0.00 171 F 8.54 4.34 0.00 3.15 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 0.00 172 R 8.42 3.86 0.00 1.87 1.87 0.00 3.10 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 *174 A 7.89 4.17 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 0.00 175 E 7.75 3.99 0.00 1.50 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 2.24 2.30 0.00 176 Q 7.71 4.17 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.64 0.00 0.00 0.00 0.00 0.00 2.68 2.37 0.00 177 Q 7.84 4.28 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 178 T 7.70 4.71 4.46 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 1.30 0.00 0.00 179 N 8.63 4.39 0.00 2.85 2.80 0.00 0.00 7.01 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 0.00 180 H 8.15 5.39 0.00 3.19 3.19 0.00 5.92 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 I 8.24 4.82 1.87 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.49 0.87 0.00 0.00 182 T 8.99 6.04 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 1.31 0.00 0.00 *184 T 8.28 4.66 4.42 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 1.50 0.00 0.00 185 V 9.05 5.04 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 0.95 0.00 0.00 1.26 0.00 0.00 186 N 9.08 5.25 0.00 2.82 2.73 0.00 0.00 7.01 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 0.00 187 L 8.59 5.22 0.00 1.57 1.23 0.70 -0.18 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 0.00 188 S 8.90 5.15 0.00 3.97 3.83 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 0.00 189 A 9.02 4.86 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 0.00 190 N 8.84 4.46 0.00 3.09 2.93 0.00 0.00 6.91 7.06 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 0.00 191 S 7.97 3.91 0.00 3.71 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 P 0.00 4.65 0.00 2.21 2.13 0.00 3.70 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 193 S 7.62 4.28 0.00 3.87 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 0.00 194 R 7.57 4.10 0.00 2.07 1.87 0.00 3.31 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.46 0.00 * Residues marked with a * may have inaccurate shift predictions.