NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4140 8.3344 115.4112 58.2564 64.3181 172.8577 3 L 4.2236 7.9775 122.4473 53.0848 44.2923 173.9496 4 I 3.8599 8.1588 128.3081 60.1028 38.3568 173.5581 5 P 4.0702 0.0000 0.0000 62.3919 31.8080 175.5590 6 K 4.5591 7.6968 123.6194 54.4665 35.7856 174.6487 7 F 5.6290 8.9659 124.5448 55.7374 42.9486 173.8652 8 R 5.2632 8.9768 116.6206 54.4852 33.2287 173.8510 9 A 5.1363 8.9137 121.0576 50.1460 22.4451 175.2752 10 W 4.8558 9.0860 132.5397 56.0378 32.6846 174.5976 11 D 4.3395 8.4370 128.7871 53.1247 41.3364 175.8805 12 T 3.7611 8.1865 116.7781 61.9829 69.0632 174.5362 13 Y 4.3726 7.8223 122.8409 59.7255 39.9615 176.8546 14 E 3.7957 8.1144 115.8370 56.4017 30.4826 176.3515 15 K 3.0046 7.1323 117.5770 57.2533 30.7669 173.4106 16 E 4.2886 5.9000 124.4577 55.3094 34.5464 177.1751 *18 L 4.3802 8.4921 124.7730 55.8465 43.2689 176.1091 19 E 4.5059 8.9265 122.8402 55.1266 31.2099 175.3280 20 N 4.2484 8.3852 117.9651 54.9080 37.2791 173.8820 21 V 4.4977 7.8452 110.2833 60.8092 34.4421 177.7914 22 T 4.7252 9.0207 119.8868 61.2645 70.4495 171.9929 23 P 4.6890 0.0000 0.0000 62.2549 32.7332 175.5375 24 L 4.7842 8.5516 122.6351 53.0435 44.1496 175.4825 25 F 5.0114 8.8680 122.1817 55.6412 42.4329 175.8226 26 D 4.7212 8.4971 121.0491 52.8752 41.2692 176.2840 27 D 4.6490 8.5447 117.3029 55.7670 41.1070 176.8589 28 S 4.4648 9.6951 114.2518 57.8077 62.3417 173.5675 29 N 4.5654 7.8202 113.3106 54.8981 37.1052 175.2551 30 S 4.8145 7.6523 115.8277 58.5952 62.3254 176.6492 *32 I 3.8658 8.2440 118.2346 61.4107 39.8233 175.0694 33 A 4.8816 7.3749 123.5320 50.8151 23.4319 174.8091 34 I 4.8258 8.9706 119.0495 59.5535 41.9026 173.8458 35 I 4.7569 8.7009 130.7178 60.4721 37.9741 176.3717 36 T 4.5754 8.9325 118.2245 63.1343 70.2626 175.0654 37 D 5.0570 8.0230 120.5679 52.7351 45.4644 174.4236 38 F 5.5617 8.2070 115.7328 55.9051 41.1389 173.0442 39 Q 4.5425 9.2063 116.9590 54.7474 32.4918 173.5127 40 I 4.9796 8.3896 120.8096 60.2212 38.6934 175.2957 41 K 4.6142 9.4757 125.5405 55.1085 36.7377 175.8800 42 G 3.9334 8.8489 107.2446 44.4228 0.0000 173.3831 43 S 4.2025 8.5228 114.5705 57.5740 63.1407 172.3645 44 P 4.2627 0.0000 0.0000 64.2488 31.4280 176.6206 45 G 4.0698 9.7640 110.9040 46.1072 0.0000 173.6439 46 T 4.6687 8.4611 116.9919 62.3988 69.4510 172.8418 47 S 5.0457 7.7032 115.4034 56.9129 66.3590 174.4014 48 E 4.7292 9.4057 120.4956 54.6365 33.6024 174.1931 49 I 4.4885 8.3440 125.5001 60.4721 38.2035 175.0466 50 E 4.4202 9.3550 130.5222 54.6634 30.7952 175.1547 51 I 4.3665 8.3600 129.3875 60.8368 37.7908 175.6244 52 G 4.1516 9.1142 120.6561 46.6128 0.0000 176.9090 53 S 4.7235 9.4222 120.6959 58.8304 64.2553 172.1194 54 Y 5.3149 8.1616 120.1676 57.0677 40.6215 172.3853 55 D 4.7941 9.0445 117.9570 53.4982 45.1442 173.6850 56 T 5.0643 8.6059 112.0591 60.0570 72.8393 174.3825 57 T 4.1425 8.5941 115.8696 63.5743 67.7685 176.0699 58 F 3.8427 8.0252 123.1409 62.0223 39.2331 175.6991 59 N 4.6835 7.9940 112.5155 53.5012 38.2995 174.9382 60 W 5.2356 7.8947 117.4734 55.0239 33.4311 174.9971 61 D 4.5347 9.2534 123.1760 56.7423 40.5415 176.6158 62 E 4.6302 8.0581 115.6588 53.7536 31.5690 174.9212 63 F 4.1754 9.1204 126.6103 58.1625 39.7409 172.4242 64 P 4.3897 0.0000 0.0000 63.5485 31.9340 174.7757 65 Y 4.8280 7.3326 116.6967 57.1035 41.1781 175.5749 66 V 4.3687 8.7055 123.7072 61.4226 33.9590 175.4733 67 I 5.0814 8.2909 128.9924 59.6117 39.5318 174.5929 *69 Q 4.3211 8.3184 122.4485 56.0329 30.3376 174.6454 70 S 3.2921 8.2657 120.1443 58.0279 62.7134 174.6847 71 T 2.8363 7.8437 117.5557 62.1947 68.7918 175.9490 72 G 3.7575 7.6186 110.1559 45.2464 0.0000 173.3038 73 L 4.6230 7.4972 119.7834 52.9146 43.6481 175.5753 74 K 4.9826 8.5324 120.6727 54.5604 34.5281 176.5699 75 D 4.8173 8.7763 122.2747 52.0476 41.1117 176.8951 76 K 3.9155 8.5534 119.7186 59.4885 32.0182 177.1399 77 N 4.6542 8.6561 114.5383 52.7310 38.4332 175.6861 78 G 3.8864 8.4119 106.3090 45.8808 0.0000 174.0633 79 V 3.9034 7.6820 119.8293 61.7289 32.3302 174.6872 80 E 4.4758 8.7447 128.4603 56.3588 30.4354 175.6167 81 I 4.5826 8.7866 128.4465 60.4203 38.9286 175.0967 82 F 4.9989 9.6974 125.9342 55.0807 42.1520 175.2818 83 E 4.2168 8.5120 120.3815 58.3990 29.9921 178.2227 84 G 3.9820 9.0905 110.7296 45.4804 0.0000 173.5225 85 D 5.0089 7.9304 119.4643 54.5578 42.4399 175.3715 86 I 4.9539 8.9259 121.7858 59.6842 39.8261 174.7601 87 L 5.4717 9.0985 127.3748 53.1783 44.2463 176.4102 88 V 4.9031 8.7062 114.4468 59.5474 35.8052 174.3504 89 Y 3.6657 7.9333 123.1297 56.7017 39.0657 175.6740 90 D 4.5848 7.4704 129.9570 53.6284 39.5227 176.2392 91 A 4.2868 7.2040 120.4384 50.1864 19.8052 176.1016 92 P 4.1857 0.0000 0.0000 62.7199 31.8498 176.4584 93 K 4.1564 8.5584 124.2892 56.0473 33.1833 176.0366 94 K 4.7027 8.3050 124.5823 54.0529 34.9735 174.8539 95 Y 4.2030 8.7107 121.7718 59.4653 38.8267 175.9615 96 A 3.2510 8.1096 127.3978 52.7762 16.2440 175.9665 97 H 4.8115 7.7052 114.7182 55.0532 30.3519 174.2541 98 R 4.2759 8.3876 124.0934 55.3171 30.9451 176.9826 99 R 4.1543 8.3023 121.3384 55.9943 31.0714 176.7847 100 S 4.4350 8.2182 115.4657 58.0500 65.9476 171.9735 *102 H 4.6669 8.4740 115.1580 55.7795 30.1891 172.8048 103 E 4.6060 8.4649 123.7993 55.9269 31.2506 175.0882 104 I 4.3549 8.6613 127.4296 60.5292 38.7705 174.8654 105 A 4.9818 8.2835 127.6687 50.2697 23.0039 173.5500 106 Y 5.0066 8.2862 118.7775 55.9862 42.0290 174.5079 107 A 4.5064 8.6171 127.3607 52.3515 23.0577 175.7044 108 D 4.5691 9.8403 121.4434 55.3418 39.3701 174.2344 109 G 4.0485 9.0931 106.5340 45.2460 0.0000 173.0685 110 R 4.5487 6.7096 114.3743 54.3225 32.6108 174.2976 111 F 5.0668 8.5912 118.0161 57.6285 40.2298 174.7466 112 F 4.6040 8.5311 115.6090 55.5385 41.5626 172.6236 113 W 4.8824 8.0720 117.4216 55.1135 29.4574 175.7299 114 E 4.0274 8.9284 125.0121 56.4897 29.5678 176.8273 115 F 4.1451 9.2147 122.3149 58.4420 36.0738 174.9271 116 L 4.4708 7.9156 120.9200 53.7820 44.9941 176.4127 117 D 4.8270 8.5200 129.8556 53.1884 39.8263 176.0072 118 L 4.9210 7.3408 117.6246 52.5193 46.3161 177.2938 119 V 3.6555 8.5118 121.8872 62.9116 31.8083 175.5694 120 F 3.5280 8.7155 130.2178 57.7006 38.6668 174.2213 121 C 4.2769 7.3293 122.2277 55.6048 33.3889 174.2796 122 Q 3.7679 8.3083 121.7119 59.3644 28.4591 178.5278 123 S 4.1809 7.8856 114.7740 61.4996 62.9872 176.0616 124 N 4.5578 8.0591 118.8616 56.1201 38.6430 176.9183 125 I 4.3544 8.0750 121.4538 63.8179 36.9888 177.4269 126 L 4.6207 7.4840 116.9176 54.0340 42.8803 176.3823 127 Y 4.5457 7.7467 121.7162 58.6747 40.5807 175.9663 128 R 3.4032 7.7043 124.8878 57.7094 29.1142 179.4951 129 D 4.1126 9.2010 130.3207 55.7579 40.8249 177.1114 130 G 4.0335 8.2717 107.0292 45.2458 0.0000 171.5518 131 Y 5.1685 8.7126 115.4151 56.0233 41.6557 175.3067 132 L 5.3180 8.9174 121.2204 52.8289 46.0546 176.0500 133 V 4.3451 9.2111 124.1866 62.6194 31.8340 175.7500 134 I 4.4546 10.1309 120.7183 59.2466 38.2962 176.2072 135 G 3.9061 6.9199 108.6440 45.6341 0.0000 171.0770 136 N 5.2867 7.6342 115.8525 50.9670 40.3406 175.2384 137 I 3.6837 8.2259 111.9077 63.4572 37.9900 178.0395 138 H 3.8601 7.7737 117.4206 57.8507 28.9877 176.5026 139 E 3.7725 7.7815 117.1147 58.3275 30.1585 176.8971 140 N 5.0419 7.7514 115.9004 51.4648 39.0449 173.8315 141 P 4.5487 0.0000 0.0000 64.2807 32.4684 177.4142 142 E 4.4376 7.8824 117.4697 56.1378 30.4114 177.4054 143 L 3.9659 7.8747 121.6618 58.0527 42.2413 178.3181 144 L 4.0228 7.6831 116.9011 55.9259 41.9404 176.7650 145 E 4.2681 7.8513 121.7363 56.4695 29.8309 174.3660 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 S 8.33 4.41 0.00 3.98 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 3 L 7.98 4.22 0.00 1.63 1.54 0.82 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.16 3.86 1.80 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 1.45 0.61 0.89 0.00 0.00 5 P 0.00 4.07 0.00 2.27 2.10 0.00 3.70 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 2.00 0.00 6 K 7.70 4.56 0.00 1.68 1.38 0.00 1.66 0.00 0.00 1.97 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.60 1.54 7.81 7 F 8.97 5.63 0.00 3.32 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 8 R 8.98 5.26 0.00 1.85 1.65 0.00 2.53 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 9 A 8.91 5.14 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 10 W 9.09 4.86 0.00 3.27 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 11 D 8.44 4.34 0.00 2.49 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 12 T 8.19 3.76 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 1.30 0.00 0.00 13 Y 7.82 4.37 0.00 2.61 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 14 E 8.11 3.80 0.00 1.93 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 2.50 2.32 0.00 15 K 7.13 3.00 0.00 1.75 1.84 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.17 1.45 7.81 16 E 5.90 4.29 0.00 1.64 1.54 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 2.11 2.15 0.00 *18 L 8.49 4.38 0.00 1.68 1.68 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.93 4.51 0.00 1.86 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 0.00 2.26 2.23 0.00 20 N 8.39 4.25 0.00 2.86 2.88 0.00 0.00 7.00 7.71 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 21 V 7.85 4.50 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 0.81 0.00 0.00 1.05 0.00 0.00 22 T 9.02 4.73 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 1.22 0.00 0.00 23 P 0.00 4.69 0.00 2.10 1.91 0.00 3.52 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.03 0.00 24 L 8.55 4.78 0.00 1.66 1.50 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.87 5.01 0.00 2.85 2.95 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 26 D 8.50 4.72 0.00 2.92 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 27 D 8.54 4.65 0.00 2.68 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 28 S 9.70 4.46 0.00 3.65 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 29 N 7.82 4.57 0.00 3.04 2.97 0.00 0.00 6.81 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 30 S 7.65 4.81 0.00 4.09 3.56 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 *32 I 8.24 3.87 1.69 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.04 0.79 0.00 0.00 33 A 7.37 4.88 1.13 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 0.00 0.00 0.00 34 I 8.97 4.83 1.74 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 1.11 1.36 0.40 0.00 0.00 35 I 8.70 4.76 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.43 1.11 0.00 0.00 36 T 8.93 4.58 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 1.20 0.00 0.00 37 D 8.02 5.06 0.00 2.70 2.53 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 38 F 8.21 5.56 0.00 3.11 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 39 Q 9.21 4.54 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 40 I 8.39 4.98 1.95 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.01 1.01 0.00 0.00 41 K 9.48 4.61 0.00 1.64 1.66 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.35 1.38 7.81 42 G 8.85 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 0.00 0.00 0.00 43 S 8.52 4.20 0.00 3.90 3.81 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 44 P 0.00 4.26 0.00 2.04 2.04 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 45 G 9.76 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.46 4.67 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 47 S 7.70 5.05 0.00 3.94 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 48 E 9.41 4.73 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 2.19 2.27 0.00 49 I 8.34 4.49 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.65 0.82 0.00 0.00 50 E 9.35 4.42 0.00 2.04 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 0.00 2.25 2.29 0.00 51 I 8.36 4.37 1.73 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 1.25 0.61 0.84 0.00 0.00 52 G 9.11 4.15 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 0.00 53 S 9.42 4.72 0.00 4.03 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 54 Y 8.16 5.31 0.00 3.08 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 55 D 9.04 4.79 0.00 2.72 2.56 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 56 T 8.61 5.06 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 1.46 0.00 0.00 57 T 8.59 4.14 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 58 F 8.03 3.84 0.00 3.03 3.05 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 59 N 7.99 4.68 0.00 2.63 2.50 0.00 0.00 6.87 7.55 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 60 W 7.89 5.24 0.00 3.43 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 61 D 9.25 4.53 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 62 E 8.06 4.63 0.00 2.08 1.97 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 2.15 2.22 0.00 63 F 9.12 4.18 0.00 2.90 3.05 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 64 P 0.00 4.39 0.00 1.25 1.36 0.00 2.20 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 65 Y 7.33 4.83 0.00 2.35 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 66 V 8.71 4.37 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 1.06 0.00 0.00 0.98 0.00 0.00 67 I 8.29 5.08 2.04 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 1.30 1.65 1.07 0.00 0.00 *69 Q 8.32 4.32 0.00 2.45 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 7.09 0.00 0.00 0.00 0.00 0.00 2.09 1.86 0.00 70 S 8.27 3.29 0.00 2.72 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 71 T 7.84 2.84 3.81 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 0.58 0.00 0.00 72 G 7.62 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 73 L 7.50 4.62 0.00 1.44 1.28 0.12 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.53 4.98 0.00 1.68 1.69 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.28 7.81 75 D 8.78 4.82 0.00 3.23 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 76 K 8.55 3.92 0.00 1.96 1.92 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.44 7.81 77 N 8.66 4.65 0.00 2.90 2.84 0.00 0.00 7.03 8.17 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 78 G 8.41 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 0.00 0.00 0.00 79 V 7.68 3.90 2.44 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 1.03 0.00 0.00 0.97 0.00 0.00 80 E 8.74 4.48 0.00 2.05 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 1.87 2.16 0.00 81 I 8.79 4.58 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.81 1.02 0.00 0.00 82 F 9.70 5.00 0.00 2.86 2.98 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 83 E 8.51 4.22 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 2.79 2.75 0.00 84 G 9.09 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 85 D 7.93 5.01 0.00 2.82 2.66 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 86 I 8.93 4.95 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.79 0.92 0.00 0.00 87 L 9.10 5.47 0.00 1.73 1.98 1.05 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.71 4.90 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 0.80 0.00 0.00 0.97 0.00 0.00 89 Y 7.93 3.67 0.00 2.55 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 7.47 4.58 0.00 2.48 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 91 A 7.20 4.29 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.19 0.00 2.04 2.01 0.00 3.65 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 93 K 8.56 4.16 0.00 1.69 1.72 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.54 7.81 94 K 8.30 4.70 0.00 1.87 1.76 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.35 7.81 95 Y 8.71 4.20 0.00 2.89 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 96 A 8.11 3.25 0.52 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 97 H 7.71 4.81 0.00 3.27 3.18 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.39 4.28 0.00 1.79 1.84 0.00 3.35 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 99 R 8.30 4.15 0.00 1.81 1.89 0.00 3.39 0.00 0.00 3.38 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 100 S 8.22 4.43 0.00 3.88 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 *102 H 8.47 4.67 0.00 3.16 3.43 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.46 4.61 0.00 1.93 1.57 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 2.19 2.22 0.00 104 I 8.66 4.35 1.89 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.60 0.00 0.00 105 A 8.28 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.29 5.01 0.00 2.82 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 0.00 107 A 8.62 4.51 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 9.84 4.57 0.00 2.67 2.53 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 0.00 109 G 9.09 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 0.00 110 R 6.71 4.55 0.00 1.96 1.88 0.00 2.71 0.00 0.00 3.02 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 111 F 8.59 5.07 0.00 3.22 2.98 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 0.00 112 F 8.53 4.60 0.00 3.09 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 0.00 113 W 8.07 4.88 0.00 3.08 2.97 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 0.00 114 E 8.93 4.03 0.00 1.29 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 2.32 1.96 0.00 115 F 9.21 4.15 0.00 3.29 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.92 4.47 0.00 0.92 0.90 0.59 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.52 4.83 0.00 2.71 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 0.00 118 L 7.34 4.92 0.00 1.76 1.91 0.88 1.05 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 0.00 119 V 8.51 3.66 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 0.75 0.00 0.00 0.97 0.00 0.00 120 F 8.72 3.53 0.00 2.02 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 0.00 121 C 7.33 4.28 0.00 2.98 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 8.31 3.77 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 123 S 7.89 4.18 0.00 4.06 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 N 8.06 4.56 0.00 2.90 3.38 0.00 0.00 6.92 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 0.00 125 I 8.08 4.35 2.01 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 1.47 0.29 1.18 0.00 0.00 126 L 7.48 4.62 0.00 1.70 1.79 0.95 0.85 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 0.00 127 Y 7.75 4.55 0.00 3.24 3.03 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 0.00 128 R 7.70 3.40 0.00 1.92 1.01 0.00 3.11 0.00 0.00 3.12 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.64 0.00 129 D 9.20 4.11 0.00 1.58 2.23 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 0.00 130 G 8.27 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 0.00 0.00 0.00 131 Y 8.71 5.17 0.00 3.24 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 0.00 132 L 8.92 5.32 0.00 1.57 1.55 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 133 V 9.21 4.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.03 0.00 0.00 134 I 10.13 4.45 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 1.28 0.88 0.94 0.00 0.00 135 G 6.92 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 0.00 136 N 7.63 5.29 0.00 2.86 2.97 0.00 0.00 5.74 7.81 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 0.00 137 I 8.23 3.68 1.68 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 1.20 0.33 0.84 0.00 0.00 138 H 7.77 3.86 0.00 2.29 1.31 0.00 5.70 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 0.00 139 E 7.78 3.77 0.00 1.77 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 1.95 0.00 140 N 7.75 5.04 0.00 2.80 2.65 0.00 0.00 6.59 8.20 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 0.00 141 P 0.00 4.55 0.00 2.14 2.17 0.00 3.30 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 142 E 7.88 4.44 0.00 2.03 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 2.31 2.26 0.00 143 L 7.87 3.97 0.00 1.62 1.76 0.91 0.84 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 0.00 144 L 7.68 4.02 0.00 1.68 1.75 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 145 E 7.85 4.27 0.00 2.09 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 0.00 2.19 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.