NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.0761 8.2649 123.5806 52.1199 20.0011 177.6202 *2 T 4.0322 7.7647 117.3492 63.7879 69.3995 174.3922 3 Q 4.0539 8.4919 127.8445 55.6756 29.9650 175.4405 4 Q 4.1294 8.4838 125.6319 56.3639 30.0565 175.0297 5 D 4.8989 8.6328 126.1918 53.7189 42.2497 176.9073 6 F 4.5085 9.1419 125.7016 56.3565 37.4709 173.8143 7 R 5.1245 7.4113 118.3811 55.4498 33.6067 174.2355 8 T 4.4772 8.5094 121.9637 61.4397 72.9586 172.7794 9 K 4.7466 8.4864 125.8331 54.3770 34.3548 175.2589 10 V 4.4069 8.7176 125.9622 62.1108 35.1558 176.0902 11 D 4.3614 8.8612 127.0422 55.9100 40.5429 174.4903 12 N 5.1838 9.0054 123.7713 54.0412 39.8679 173.4378 13 T 5.0445 8.3700 108.3852 58.6887 72.4286 172.8315 14 V 4.9745 8.7317 124.3898 61.1718 34.9953 174.1484 15 F 5.9169 7.6747 120.8525 56.3247 41.7257 173.8893 16 G 4.5422 8.0450 106.5897 46.3485 0.0000 171.3371 17 V 5.0733 8.1391 118.9710 61.1125 34.4949 175.6601 18 R 5.3340 9.3993 125.2821 54.3738 34.6877 173.9484 19 A 5.4473 8.9718 122.8936 50.6194 22.1901 175.5048 20 T 5.0761 9.2184 117.6967 61.6452 72.4853 172.9821 21 A 4.7415 9.1626 128.4518 50.8397 20.3812 177.1644 22 L 4.3668 9.0883 124.6997 53.9340 42.3939 175.2459 23 I 4.4367 7.9740 124.8497 59.8339 38.6451 175.0294 24 V 4.9642 8.4907 127.2620 61.0675 33.5377 174.7409 25 Q 4.5300 8.9462 125.4821 55.5008 32.5078 174.9022 26 N 4.1294 9.5902 118.1007 54.8304 36.3116 174.1170 27 H 4.1654 8.4674 112.2770 56.7062 28.8398 173.0363 28 K 5.1372 7.9922 116.1218 54.0994 36.0030 174.7962 29 L 5.0050 8.9804 126.2593 53.7080 43.8992 175.1291 30 L 3.6023 8.2222 129.2176 54.5891 42.3816 176.1705 31 V 4.7095 8.6749 119.0254 59.8488 36.6655 174.1872 32 T 5.2210 8.8313 115.8855 59.2879 70.4844 172.2567 33 K 4.6277 8.5457 128.9139 54.6754 33.9975 175.0327 34 D 4.5384 9.0446 126.7734 53.7559 44.2813 175.1384 35 K 3.5537 9.7653 126.3558 57.6331 29.5322 176.3503 36 G 3.9095 8.4322 105.4182 45.1358 0.0000 173.6386 37 K 4.7026 7.6133 118.5723 54.6259 36.0750 174.4974 38 Y 5.0529 8.6545 119.8814 56.6850 40.4291 174.6665 39 Y 5.3909 9.3764 120.1603 55.3821 42.7758 174.5096 40 T 4.8479 8.3963 110.7411 59.9271 71.7967 174.2011 41 I 3.8933 8.2610 123.1894 61.3179 38.2919 175.6692 42 G 4.2359 7.8054 112.3522 45.9582 0.0000 171.7708 43 G 4.1948 7.9486 106.4121 45.3617 0.0000 172.6204 44 A 4.7764 8.7354 122.2624 51.8827 19.0363 177.8906 45 I 4.0726 8.5885 115.5200 60.8890 39.6134 175.2746 46 Q 4.8012 9.3166 122.3908 54.6045 30.5701 175.9862 47 V 3.8002 8.4786 122.3774 64.5989 31.9375 175.9507 48 N 4.3740 9.0038 122.1127 53.6968 35.6239 173.1324 49 E 4.6548 7.8492 119.7955 53.9752 31.6799 175.7733 50 S 4.2721 8.3373 120.8474 58.4830 65.2018 175.6024 51 T 3.7929 8.1856 114.0102 64.7270 68.6620 176.5870 52 E 3.2422 7.9882 121.0545 59.3993 29.4668 178.9304 53 D 4.2991 8.2364 118.6557 57.0272 40.7329 178.7789 54 A 4.2591 8.3256 123.0541 54.6731 18.4427 180.1166 55 V 3.5979 7.8210 117.8370 64.8195 31.4050 178.7611 56 V 3.5064 7.5638 118.5891 65.6567 31.2908 177.9408 57 R 3.8545 8.1693 118.6540 59.6063 29.8101 178.3767 58 E 3.9495 8.5684 118.7784 59.3251 29.3342 179.5060 59 V 3.5797 7.9607 118.4275 65.7112 31.6027 177.9396 60 K 4.0228 8.2225 119.4857 59.5509 31.8088 178.6436 61 E 3.9119 8.2197 117.7769 59.5653 29.5362 178.7541 62 E 4.5364 8.1100 118.1914 57.2748 29.9435 177.4569 63 L 4.4514 8.2023 116.8875 53.6886 43.4324 177.2773 64 G 3.9387 8.0518 105.8501 46.1429 0.0000 173.6202 65 V 4.7151 7.4262 110.5173 58.6856 35.4563 175.6551 66 K 4.3838 9.1393 121.7097 56.8972 33.1089 176.0346 67 A 5.0247 8.2210 123.0531 51.3196 22.4326 175.2630 68 Q 4.6407 9.0149 117.6133 53.8376 32.1329 177.3125 69 A 3.6040 8.6124 124.8360 53.4315 19.0416 179.0538 70 G 4.2158 7.7578 102.6164 45.3135 0.0000 172.2676 71 Q 4.3392 8.4218 118.1452 55.5506 30.2312 175.3909 72 L 3.8880 8.6639 126.0435 55.1124 42.2138 175.9876 73 A 3.8852 8.6534 129.3069 53.6482 20.0054 176.9665 74 F 5.4055 7.4771 112.2384 55.8129 43.9926 173.9973 75 V 4.3258 8.7016 122.2963 61.0491 33.8259 174.2553 76 V 4.5524 8.6252 128.4609 61.0453 34.2989 174.0465 77 E 4.9257 8.9636 128.0026 55.0736 31.0598 174.3242 78 N 5.4875 9.3422 124.9619 51.8049 41.6290 173.4451 79 R 5.2601 9.0101 125.0842 54.5316 34.1256 174.5109 80 F 5.1764 8.5079 117.1430 56.2234 41.9426 172.2078 81 E 5.3284 9.7794 120.2476 54.5274 32.8811 174.9840 82 V 4.4423 8.9756 125.2403 62.4666 34.6039 174.7438 83 D 4.5228 10.1060 127.2406 55.4212 39.4442 174.0984 84 G 4.0499 8.6790 104.0876 44.0766 0.0000 173.3280 85 V 4.6316 7.7142 120.6418 60.8656 33.7341 174.7169 86 S 4.8928 8.6112 122.7406 57.7976 65.1686 172.5437 87 Y 4.6511 8.8592 120.0641 56.3872 41.2088 174.2532 88 H 5.2786 9.2500 123.1730 54.8322 32.8295 171.4513 89 N 5.7270 9.4088 123.5051 51.4834 42.4718 173.7548 90 I 4.7832 8.4739 123.0423 60.1360 39.1842 174.5475 91 E 5.3199 9.3102 126.9123 54.5495 32.9800 174.9810 92 F 4.9926 9.5314 123.2267 56.2451 41.4044 174.3496 93 H 5.3067 9.1841 122.6655 54.5996 30.4940 173.6920 94 Y 4.8402 8.9868 122.0995 56.2105 40.5538 175.9106 95 L 4.7377 8.8631 124.7246 53.0118 40.5123 175.8495 96 V 4.1717 7.8745 121.4559 62.4265 33.0282 174.5470 97 D 4.9075 8.8914 127.3014 52.6089 42.3084 175.9273 98 L 4.5057 8.6351 124.2750 54.7835 42.3158 177.1803 99 L 4.6844 8.9419 121.9054 54.7344 42.5163 175.8923 100 E 4.7703 7.8482 117.1833 54.0920 33.7621 174.6697 101 D 4.4147 8.6092 119.8659 54.4205 41.3500 176.8036 102 A 4.2375 8.5390 126.7700 51.4323 19.0873 175.7105 103 P 4.6644 0.0000 0.0000 62.0834 32.6182 176.6464 104 L 4.2861 8.4223 118.1893 56.9306 42.0410 176.6246 105 T 4.7576 7.2674 106.8735 59.9677 71.5223 172.6722 *107 Q 4.2436 8.4333 119.6161 57.3192 29.8328 174.4999 108 E 4.5446 8.5465 114.6432 55.6581 33.3541 176.2959 109 D 4.1679 9.6617 123.7168 54.6076 38.4474 174.6036 110 E 3.8490 8.4687 115.2489 56.4558 27.4066 174.3460 111 K 4.3806 7.7747 120.0467 54.7826 33.2304 175.6767 112 R 4.6106 8.3584 124.3148 55.4495 31.1941 175.1679 113 Q 4.7969 8.1555 122.3032 53.2536 32.8530 173.1990 114 P 4.5149 0.0000 0.0000 63.0215 33.0988 174.7466 115 C 4.6772 8.4211 120.0582 59.2056 29.1254 173.0731 116 E 4.8790 9.2770 122.8733 54.2950 33.6510 174.7159 117 W 5.1031 8.9662 122.1809 55.1644 31.3627 175.1250 118 I 4.5278 8.4861 126.1597 58.9436 39.5728 175.2232 119 D 4.8486 8.7052 126.0510 54.1002 42.1218 176.8867 120 L 3.8849 8.6661 126.0041 58.0471 41.7147 178.6471 121 D 4.7886 8.5674 115.5100 54.6910 41.0522 176.8754 122 K 4.4604 8.0051 118.7774 55.9869 33.5885 178.1097 123 L 3.8361 7.5287 119.0000 57.5766 41.6383 179.3501 124 Q 4.0379 8.0438 115.2202 58.3074 28.5145 176.6139 125 N 4.8192 8.1271 115.1597 52.6171 38.9327 174.0760 126 I 4.6262 7.2383 111.0962 59.0155 41.0711 176.0519 127 Q 4.3366 8.3243 121.0961 54.9143 26.7369 174.6646 128 L 4.5993 7.5153 123.3045 54.3523 44.5143 175.8008 129 V 4.2850 8.3274 125.8235 60.9829 34.4127 172.2793 130 P 4.2888 0.0000 0.0000 64.0475 30.6547 176.6813 131 V 3.8734 9.7671 129.7999 63.7863 28.1355 172.9395 132 F 4.1756 7.7687 118.9758 59.5929 37.2573 177.3970 133 L 3.2725 6.7695 118.6632 57.0228 41.0496 179.0640 134 K 3.8593 7.5841 118.2960 58.8349 32.1828 178.1381 135 T 4.4118 7.5997 108.0905 62.9903 70.1361 176.2468 136 A 4.1577 7.9499 122.6773 54.6713 18.6224 179.2482 137 L 4.2608 8.0014 119.1691 57.9605 42.1253 177.5150 138 P 4.3691 0.0000 0.0000 65.6029 31.3650 176.6491 139 D 4.6491 8.1959 116.6741 54.3197 41.1625 176.5056 140 W 4.4319 8.0600 130.3799 57.9156 31.0473 175.2371 141 E 4.3165 8.1389 123.0961 55.9606 29.5840 177.0822 142 G 2.8864 5.7364 106.8652 44.5041 0.0000 173.3464 143 Q 4.3725 6.1493 120.0907 53.2529 30.9252 174.5404 144 L 4.3688 8.6611 126.8063 56.2610 42.6078 176.1847 145 R 4.8575 9.1672 124.4749 54.6749 33.7687 174.0560 146 H 5.1967 8.8404 122.4264 55.1964 31.0797 174.1559 147 I 4.3815 8.6391 126.4794 59.6345 40.4288 174.0184 148 H 5.1359 8.5305 122.6471 53.8312 31.0581 173.3877 149 L 4.7542 8.9330 125.1990 53.2890 44.6937 174.9516 150 E 5.2402 8.6890 124.5121 54.0803 33.6455 175.2578 151 E 4.2200 8.6011 122.4657 56.6549 29.3242 176.4857 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 A 8.26 4.08 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 *2 T 7.76 4.03 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 1.21 0.00 0.00 3 Q 8.49 4.05 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.58 2.41 0.00 4 Q 8.48 4.13 0.00 2.19 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 5 D 8.63 4.90 0.00 2.62 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 6 F 9.14 4.51 0.00 3.19 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.41 5.12 0.00 1.88 1.74 0.00 3.29 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 8 T 8.51 4.48 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 9 K 8.49 4.75 0.00 1.59 1.60 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.46 7.81 10 V 8.72 4.41 2.26 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 1.09 0.00 0.00 1.13 0.00 0.00 11 D 8.86 4.36 0.00 2.80 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 9.01 5.18 0.00 2.59 2.93 0.00 0.00 6.32 7.05 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 13 T 8.37 5.04 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 1.18 0.00 0.00 14 V 8.73 4.97 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.70 0.00 0.00 15 F 7.67 5.92 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.04 4.54 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 0.00 0.00 0.00 17 V 8.14 5.07 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 0.90 0.00 0.00 0.15 0.00 0.00 18 R 9.40 5.33 0.00 1.82 1.83 0.00 3.23 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 19 A 8.97 5.45 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 20 T 9.22 5.08 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 1.13 0.00 0.00 21 A 9.16 4.74 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 22 L 9.09 4.37 0.00 1.62 1.60 1.04 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.97 4.44 1.77 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 1.27 0.70 1.10 0.00 0.00 24 V 8.49 4.96 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 0.91 0.00 0.00 0.95 0.00 0.00 25 Q 8.95 4.53 0.00 1.69 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.05 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 26 N 9.59 4.13 0.00 2.69 2.80 0.00 0.00 6.98 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 27 H 8.47 4.17 0.00 3.39 3.38 0.00 5.80 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 28 K 7.99 5.14 0.00 2.14 2.00 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.63 7.81 29 L 8.98 5.01 0.00 1.69 1.45 0.93 0.43 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 30 L 8.22 3.60 0.00 0.27 0.98 -0.16 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.67 4.71 2.25 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 0.55 0.00 0.00 0.98 0.00 0.00 32 T 8.83 5.22 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 1.34 0.00 0.00 33 K 8.55 4.63 0.00 1.42 1.46 0.00 1.66 0.00 0.00 1.42 0.00 0.00 2.57 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.87 0.21 7.81 34 D 9.04 4.54 0.00 2.81 2.45 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 35 K 9.77 3.55 0.00 1.95 1.86 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.39 7.81 36 G 8.43 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 0.00 0.00 0.00 37 K 7.61 4.70 0.00 1.58 1.17 0.00 1.60 0.00 0.00 1.47 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.32 7.81 38 Y 8.65 5.05 0.00 2.65 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 39 Y 9.38 5.39 0.00 2.77 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 40 T 8.40 4.85 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 1.15 0.00 0.00 41 I 8.26 3.89 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.50 0.94 0.00 0.00 42 G 7.81 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 0.00 0.00 0.00 0.00 43 G 7.95 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 44 A 8.74 4.78 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 45 I 8.59 4.07 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.00 0.88 0.00 0.00 46 Q 9.32 4.80 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.02 0.00 0.00 0.00 0.00 0.00 2.49 2.32 0.00 47 V 8.48 3.80 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 0.66 0.00 0.00 0.75 0.00 0.00 48 N 9.00 4.37 0.00 2.93 2.95 0.00 0.00 6.82 7.66 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 49 E 7.85 4.65 0.00 2.03 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 2.19 2.20 0.00 50 S 8.34 4.27 0.00 4.21 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.19 3.79 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 0.40 0.00 0.00 52 E 7.99 3.24 0.00 1.93 1.81 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 2.30 2.06 0.00 53 D 8.24 4.30 0.00 2.75 2.67 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 54 A 8.33 4.26 1.44 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 0.00 0.00 0.00 55 V 7.82 3.60 2.10 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 0.53 0.00 0.00 1.04 0.00 0.00 56 V 7.56 3.51 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 0.99 0.00 0.00 0.93 0.00 0.00 57 R 8.17 3.85 0.00 1.93 2.11 0.00 3.24 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 58 E 8.57 3.95 0.00 2.15 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 2.33 2.40 0.00 59 V 7.96 3.58 2.20 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 1.15 0.00 0.00 0.95 0.00 0.00 60 K 8.22 4.02 0.00 1.97 1.97 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 61 E 8.22 3.91 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 62 E 8.11 4.54 0.00 1.99 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 2.43 2.31 0.00 63 L 8.20 4.45 0.00 1.79 1.71 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.05 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.43 4.72 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 0.95 0.00 0.00 0.96 0.00 0.00 66 K 9.14 4.38 0.00 1.70 1.72 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.40 7.81 67 A 8.22 5.02 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 68 Q 9.01 4.64 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 69 A 8.61 3.60 0.77 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 70 G 7.76 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 0.00 0.00 0.00 0.00 71 Q 8.42 4.34 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 7.05 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 72 L 8.66 3.89 0.00 1.43 1.55 0.36 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.65 3.89 -0.32 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 74 F 7.48 5.41 0.00 2.88 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 75 V 8.70 4.33 1.88 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 0.51 0.00 0.00 0.51 0.00 0.00 76 V 8.63 4.55 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 0.60 0.00 0.00 0.58 0.00 0.00 77 E 8.96 4.93 0.00 1.85 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 78 N 9.34 5.49 0.00 2.80 2.83 0.00 0.00 6.58 7.20 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 79 R 9.01 5.26 0.00 1.78 1.75 0.00 3.11 0.00 0.00 2.99 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.47 0.00 80 F 8.51 5.18 0.00 3.13 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 81 E 9.78 5.33 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 2.40 2.25 0.00 82 V 8.98 4.44 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 0.99 0.00 0.00 1.15 0.00 0.00 83 D 10.11 4.52 0.00 2.84 2.75 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 84 G 8.68 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 85 V 7.71 4.63 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 0.60 0.00 0.00 1.03 0.00 0.00 86 S 8.61 4.89 0.00 3.86 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 87 Y 8.86 4.65 0.00 1.43 2.39 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 88 H 9.25 5.28 0.00 3.15 3.18 0.00 5.54 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 N 9.41 5.73 0.00 2.82 2.76 0.00 0.00 6.65 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 90 I 8.47 4.78 1.90 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 1.22 0.97 0.81 0.00 0.00 91 E 9.31 5.32 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 92 F 9.53 4.99 0.00 2.99 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 93 H 9.18 5.31 0.00 3.31 3.41 0.00 5.78 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.99 4.84 0.00 2.90 3.08 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 95 L 8.86 4.74 0.00 1.44 1.55 0.06 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.87 4.17 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 1.11 0.00 0.00 1.02 0.00 0.00 97 D 8.89 4.91 0.00 2.64 2.60 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 98 L 8.64 4.51 0.00 1.60 1.81 1.09 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.94 4.68 0.00 1.49 1.68 0.92 0.70 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 0.00 100 E 7.85 4.77 0.00 1.91 1.81 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 2.21 2.32 0.00 101 D 8.61 4.41 0.00 2.68 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 0.00 102 A 8.54 4.24 1.61 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 0.00 103 P 0.00 4.66 0.00 2.33 2.11 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 104 L 8.42 4.29 0.00 1.74 1.80 1.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.27 4.76 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 *107 Q 8.43 4.24 0.00 2.41 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 108 E 8.55 4.54 0.00 1.86 1.79 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 2.14 2.14 0.00 109 D 9.66 4.17 0.00 2.77 2.75 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 0.00 110 E 8.47 3.85 0.00 2.13 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 2.18 2.25 0.00 111 K 7.77 4.38 0.00 1.93 1.69 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.33 7.81 112 R 8.36 4.61 0.00 1.75 1.80 0.00 3.17 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 113 Q 8.16 4.80 0.00 1.88 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.77 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 114 P 0.00 4.51 0.00 2.20 2.18 0.00 3.52 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 2.05 2.10 0.00 115 C 8.42 4.68 0.00 3.10 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 0.00 116 E 9.28 4.88 0.00 1.94 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 2.30 2.34 0.00 117 W 8.97 5.10 0.00 3.13 3.16 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 0.00 118 I 8.49 4.53 1.71 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.44 0.74 0.00 0.00 119 D 8.71 4.85 0.00 2.78 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 0.00 120 L 8.67 3.88 0.00 1.48 1.65 0.88 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.57 4.79 0.00 2.82 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 0.00 122 K 8.01 4.46 0.00 1.82 1.76 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.51 7.81 123 L 7.53 3.84 0.00 1.67 1.61 0.87 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 8.04 4.04 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.10 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 125 N 8.13 4.82 0.00 2.76 2.83 0.00 0.00 6.75 8.09 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 0.00 126 I 7.24 4.63 1.57 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.52 0.65 0.00 0.00 127 Q 8.32 4.34 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.11 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 128 L 7.52 4.60 0.00 1.63 1.38 0.81 0.58 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 0.00 129 V 8.33 4.28 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 0.87 0.00 0.00 0.68 0.00 0.00 130 P 0.00 4.29 0.00 2.21 1.74 0.00 3.83 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.20 0.00 131 V 9.77 3.87 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 0.93 0.00 0.00 0.92 0.00 0.00 132 F 7.77 4.18 0.00 3.16 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 6.77 3.27 0.00 1.26 1.40 0.70 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 134 K 7.58 3.86 0.00 1.75 1.81 0.00 1.56 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.53 1.37 7.81 135 T 7.60 4.41 4.41 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 1.21 0.00 0.00 136 A 7.95 4.16 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 0.00 137 L 8.00 4.26 0.00 1.83 1.73 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 138 P 0.00 4.37 0.00 2.26 2.32 0.00 3.93 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 2.15 2.16 0.00 139 D 8.20 4.65 0.00 2.90 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 0.00 140 W 8.06 4.43 0.00 3.58 3.20 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 0.00 141 E 8.14 4.32 0.00 1.69 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.41 0.00 142 G 5.74 2.89 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 0.00 0.00 0.00 143 Q 6.15 4.37 0.00 1.79 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.17 2.32 0.00 144 L 8.66 4.37 0.00 1.76 1.64 0.93 0.93 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 0.00 145 R 9.17 4.86 0.00 2.27 2.01 0.00 3.36 0.00 0.00 3.61 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 146 H 8.84 5.20 0.00 3.08 3.18 0.00 5.68 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 8.64 4.38 1.21 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.08 -0.14 0.00 0.00 148 H 8.53 5.14 0.00 2.88 3.30 0.00 5.83 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 0.00 149 L 8.93 4.75 0.00 1.55 1.46 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 150 E 8.69 5.24 0.00 1.82 1.81 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 2.20 2.35 0.00 151 E 8.60 4.22 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.