NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6521 8.3649 120.1921 54.6003 42.4136 174.9888 2 C 4.7544 8.1200 117.9051 52.8828 43.3972 171.9082 3 P 4.5336 0.0000 0.0000 62.0030 32.6981 175.4027 4 S 4.3590 8.5158 113.8807 60.3152 62.4724 173.9586 5 G 4.0808 9.3093 115.5940 44.6931 0.0000 173.1134 6 W 4.8661 8.0201 118.7678 55.3769 31.0375 176.0368 7 S 5.0073 9.6399 120.6202 57.1942 64.5849 173.3451 8 S 5.2562 8.8707 119.1663 57.9390 63.8003 172.9656 9 Y 4.2103 9.2604 126.2278 57.7590 41.6224 174.3663 10 E 3.6080 9.1427 127.4267 57.2858 27.1808 175.8551 11 G 3.9120 8.4565 105.1918 45.3202 0.0000 173.0482 12 N 5.1098 8.0809 116.4309 51.5329 42.7507 172.4848 13 C 5.6709 8.9892 117.2527 55.6605 41.5683 173.1787 14 Y 5.6745 9.7548 120.7561 56.5065 41.6423 174.7969 15 K 4.3701 8.6456 122.7298 55.1376 35.9987 174.3163 16 F 4.7557 8.4778 130.1828 57.5411 40.5383 174.3280 17 F 4.0905 8.0848 124.7586 55.5449 40.8683 176.5779 18 Q 3.8040 8.2065 121.2749 57.0317 29.2270 176.0649 19 Q 4.0507 7.5693 120.6910 56.0163 30.2032 174.9751 20 K 4.7061 8.6087 126.1302 56.2358 33.1637 176.0685 21 M 5.0618 8.9866 123.5271 53.3609 37.1601 174.7534 22 N 5.8564 8.6091 117.5029 51.5837 38.9035 175.7519 23 W 2.8584 7.8654 128.2153 60.4178 30.3222 177.9168 24 A 3.6931 7.8893 119.6804 55.2831 17.9203 179.2056 25 D 4.1363 8.7988 117.4886 57.1710 40.7741 178.9116 26 A 3.0043 7.4639 121.4222 54.5322 18.2014 179.2886 27 E 3.4672 7.3028 117.7637 59.1922 29.4175 178.9228 28 R 3.7386 7.5119 117.4251 59.2766 30.3792 177.8157 29 F 4.0696 8.4617 120.5951 61.6793 38.8705 176.2795 30 C 4.3211 8.6290 116.6835 60.2413 39.7997 176.3496 31 S 4.5376 7.7277 115.7004 60.2399 61.3055 175.5319 32 E 4.1959 7.9296 121.8369 58.0134 29.4810 178.2448 33 Q 4.0952 7.8275 116.6347 57.5806 29.3609 176.0173 34 A 4.2105 6.8369 120.8277 51.2592 22.5165 176.3993 35 K 4.0183 8.4514 123.1415 55.9460 32.1317 177.8161 36 G 3.9380 8.8522 111.1465 44.5571 0.0000 174.0265 37 G 3.6526 7.7700 109.2390 45.4755 0.0000 172.5664 38 H 5.2301 8.9074 118.6168 53.9866 34.1450 172.7110 39 L 4.7011 8.9313 120.4742 54.4854 42.1812 178.1742 40 V 4.0090 8.9161 122.9459 62.3236 32.2785 175.4875 41 S 5.0772 8.7837 117.2050 56.6149 65.4357 173.5133 42 I 4.8768 7.9767 121.3096 59.9424 40.1420 176.5376 43 K 4.4140 9.3115 127.0797 54.6882 30.2991 177.4960 44 I 3.7921 8.3929 122.4970 63.3884 38.2403 176.2349 *45 Y 4.5280 7.8228 116.0331 57.0683 37.1009 179.6377 46 S 4.9508 8.2113 114.9119 56.8573 66.3018 174.6477 47 K 5.2173 8.5336 117.7662 56.7493 31.4396 178.6609 48 E 3.4806 8.1207 123.0108 58.9862 29.5876 178.9271 49 K 4.1088 7.7473 118.7166 60.0715 32.6798 178.9665 50 D 4.3453 8.0371 119.6309 56.9677 40.7381 178.3208 51 F 3.8940 8.0732 121.1093 61.2872 39.3506 177.4144 52 V 3.3525 8.0579 118.4094 65.5939 31.2106 178.2429 53 G 3.6625 8.5294 105.9475 47.5012 0.0000 175.3772 54 D 4.2479 8.0640 121.9217 56.8041 40.8009 178.6157 55 L 3.5624 7.6186 121.0644 57.9730 41.9137 179.3264 56 V 2.7098 7.3937 117.9125 65.9222 31.1647 177.9253 57 T 3.8307 7.4848 114.1415 66.8515 68.4249 176.4260 58 K 4.0335 7.9189 118.9088 58.7220 32.1723 178.3142 59 N 4.5965 7.4435 113.8867 52.3172 39.6044 175.3416 60 I 3.4970 6.7947 121.5399 60.5066 38.5504 175.7649 61 Q 4.2293 9.8297 124.7741 57.0315 29.3394 174.3886 62 S 5.2456 7.9124 117.9749 57.6424 63.4366 176.2421 63 S 4.4888 8.0264 113.6961 57.8757 63.2316 173.9038 64 D 4.2902 7.2313 119.6811 55.4169 40.9973 176.8611 65 L 4.2005 8.2260 122.4486 55.6731 43.0668 175.8366 66 Y 6.1329 7.8885 114.2607 55.0877 42.0416 175.0797 67 A 4.9119 8.5917 122.5297 50.0295 22.0519 175.7111 68 W 5.4082 9.1994 123.5235 57.5636 30.5353 175.4787 69 I 4.6636 9.1435 115.9255 58.4965 41.2056 175.6921 70 G 4.1069 9.3249 109.0319 45.9388 0.0000 172.8786 71 L 4.7309 7.8421 122.5633 53.1526 43.9084 175.3087 72 R 5.0087 8.2122 124.5060 54.5187 33.5755 174.1895 73 V 3.7995 8.4382 124.2890 62.9188 31.4268 175.9002 74 E 4.1183 8.8869 128.3716 58.3133 30.1269 176.6126 75 N 4.3175 8.0843 114.8293 53.8641 39.0145 174.9204 76 K 4.1565 8.4973 120.6940 58.5947 32.8249 177.7372 77 E 4.1677 7.8915 116.8619 55.9189 30.0598 177.0330 78 K 4.0932 8.6090 120.8336 59.0844 32.3027 177.4274 79 Q 4.5438 7.4362 113.2152 54.7585 31.5016 174.2918 80 C 4.2754 8.4442 115.1749 59.9093 28.5717 173.8114 81 S 4.2976 8.3982 116.7436 57.5196 61.7765 173.9098 82 S 4.4074 8.5049 122.6575 59.0239 63.7540 173.5966 83 E 5.1413 7.5864 119.6653 54.1638 32.8260 175.5089 84 W 4.4242 9.2887 122.9393 55.8919 29.9199 177.7439 85 S 4.2257 8.8915 114.3208 60.7508 62.4306 174.6432 86 D 4.6628 8.3462 119.4815 53.0665 39.4153 177.2514 87 G 4.0524 8.4134 109.6760 45.5030 0.0000 174.5730 88 S 4.4329 8.6753 116.7266 58.8316 63.9843 174.0894 89 S 4.8739 8.6875 119.0675 58.3722 63.8537 173.8422 90 V 3.9519 8.6712 124.5253 62.6789 31.3841 174.0582 91 S 4.5147 9.1045 121.1754 59.7077 64.8177 172.7582 92 Y 4.3748 8.0129 121.7655 57.5497 39.3902 175.2550 93 E 4.3980 7.6816 123.0249 55.4623 32.7583 174.5914 94 N 4.8249 7.8877 117.1922 52.3551 39.0375 174.6693 95 V 3.7097 9.1543 120.3920 62.2570 32.9914 175.5292 96 V 3.7201 8.2005 126.9296 62.5278 32.1505 176.3061 97 E 3.9746 8.9911 127.4947 59.5639 29.4630 179.1811 98 R 2.6459 7.6559 113.0023 57.5252 29.6480 176.9531 99 T 4.1199 7.3970 107.9905 61.6081 69.7237 174.8733 100 V 3.7732 7.5011 124.4728 62.6281 31.8534 174.8824 101 K 4.4231 8.3868 126.6781 54.5278 32.6141 175.5057 102 K 4.3489 8.1103 120.7292 56.0270 34.1918 175.8829 103 C 4.5870 7.7864 118.8154 54.8718 40.3343 173.1858 104 F 5.3857 9.0892 122.1879 56.7322 40.8591 174.7298 105 A 5.3798 9.1025 122.2365 50.5611 23.4790 175.1332 106 L 5.1060 9.5043 119.7348 54.5254 43.6091 175.8563 107 E 5.0562 9.1875 124.2336 54.4959 31.4777 176.4985 108 K 2.0000 8.5714 128.5451 58.8353 32.3699 176.8916 109 D 4.3790 7.4759 116.8120 55.7049 41.0312 176.4020 110 L 3.6223 8.8324 123.3734 55.1924 40.6548 174.2837 111 G 3.7714 7.6001 104.0474 46.6923 0.0000 173.4903 112 F 4.1242 7.5589 114.3858 58.6846 37.0101 177.4620 113 V 4.4350 7.9890 118.0070 61.1743 33.6300 175.2151 114 L 4.6180 7.7993 120.4109 53.0007 43.9859 175.8647 115 W 5.7651 8.4373 121.6756 55.9317 31.8842 175.2299 116 I 4.8108 8.8600 120.5644 59.9173 41.2891 173.0784 117 N 4.5580 8.4341 126.3623 51.8045 38.8645 173.9468 118 L 4.8369 9.0972 121.5825 52.5084 47.2248 175.1859 119 Y 5.0355 8.4530 120.3763 57.5632 38.9014 177.4425 120 C 3.9206 8.8125 125.0621 59.6227 40.4079 175.1441 121 A 3.8875 6.3236 119.8623 52.8090 18.6323 177.4650 122 Q 4.3808 8.1117 115.9604 55.8760 30.2576 175.5106 123 K 5.1281 8.6786 121.2378 55.1288 33.9992 175.4013 124 N 5.2281 9.2384 121.8248 50.5840 43.7876 172.3434 125 P 5.2037 0.0000 0.0000 62.5815 33.5346 174.2995 126 F 5.2229 7.7818 114.1362 56.1075 42.0137 172.9168 127 V 4.9432 8.6979 117.6285 61.4720 34.1851 173.7295 128 C 5.6660 9.3951 124.9016 55.4102 44.1405 172.6661 129 K 5.3314 9.4139 122.3863 54.9695 35.3237 175.2301 130 S 5.0472 9.1141 120.8595 55.8476 66.8998 171.6510 131 P 5.0952 0.0000 0.0000 61.1009 32.0619 174.2065 132 P 4.3566 0.0000 0.0000 61.9123 31.8010 174.5848 133 P 4.2916 0.0000 0.0000 63.1245 31.2690 176.2126 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 1 D 8.36 4.65 0.00 2.66 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 2 C 8.12 4.75 0.00 3.15 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 3 P 0.00 4.53 0.00 2.17 2.06 0.00 3.56 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.38 0.00 4 S 8.52 4.36 0.00 3.91 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 5 G 9.31 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.02 4.87 0.00 3.37 3.31 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 7 S 9.64 5.01 0.00 4.07 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 8 S 8.87 5.26 0.00 3.99 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 9 Y 9.26 4.21 0.00 1.43 2.21 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 10 E 9.14 3.61 0.00 1.84 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 1.47 1.87 0.00 11 G 8.46 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 12 N 8.08 5.11 0.00 2.67 2.52 0.00 0.00 6.72 7.27 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 13 C 8.99 5.67 0.00 2.83 3.24 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 14 Y 9.75 5.67 0.00 3.12 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 15 K 8.65 4.37 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.30 0.72 7.81 16 F 8.48 4.76 0.00 2.82 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 17 F 8.08 4.09 0.00 1.51 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 0.00 0.00 0.00 0.00 18 Q 8.21 3.80 0.00 1.88 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 19 Q 7.57 4.05 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.05 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 20 K 8.61 4.71 0.00 1.72 1.80 0.00 1.78 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.48 7.81 21 M 8.99 5.06 0.00 1.78 1.62 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.39 0.00 22 N 8.61 5.86 0.00 3.12 2.98 0.00 0.00 6.34 8.88 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 23 W 7.87 2.86 0.00 1.78 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 A 7.89 3.69 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 25 D 8.80 4.14 0.00 2.65 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 26 A 7.46 3.00 0.27 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 0.00 0.00 0.00 27 E 7.30 3.47 0.00 1.16 1.47 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 0.00 1.93 2.11 0.00 28 R 7.51 3.74 0.00 1.79 2.00 0.00 3.26 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 29 F 8.46 4.07 0.00 2.97 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 30 C 8.63 4.32 0.00 3.11 3.27 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 0.00 31 S 7.73 4.54 0.00 3.91 3.88 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 32 E 7.93 4.20 0.00 1.85 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 2.16 2.36 0.00 33 Q 7.83 4.10 0.00 2.32 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 1.72 2.30 0.00 34 A 6.84 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.45 4.02 0.00 1.79 1.62 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.01 7.81 36 G 8.85 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 37 G 7.77 3.65 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 0.00 38 H 8.91 5.23 0.00 3.05 3.12 0.00 5.62 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.93 4.70 0.00 1.47 1.59 0.03 0.95 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 40 V 8.92 4.01 2.34 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 0.94 0.00 0.00 1.28 0.00 0.00 41 S 8.78 5.08 0.00 4.00 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 42 I 7.98 4.88 2.19 0.00 0.00 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 1.60 0.79 1.22 0.00 0.00 43 K 9.31 4.41 0.00 1.94 1.86 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.59 7.81 44 I 8.39 3.79 2.01 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.71 0.88 0.00 0.00 *45 Y 7.82 4.53 0.00 2.35 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 0.00 0.00 0.00 0.00 46 S 8.21 4.95 0.00 4.04 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 47 K 8.53 5.22 0.00 2.08 1.99 0.00 2.01 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.60 1.44 7.81 48 E 8.12 3.48 0.00 2.22 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 0.00 2.42 2.35 0.00 49 K 7.75 4.11 0.00 2.05 2.20 0.00 1.39 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.52 7.81 50 D 8.04 4.35 0.00 2.86 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 51 F 8.07 3.89 0.00 2.44 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 52 V 8.06 3.35 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 1.01 0.00 0.00 0.98 0.00 0.00 53 G 8.53 3.66 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 54 D 8.06 4.25 0.00 2.72 2.57 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 55 L 7.62 3.56 0.00 1.01 1.42 0.71 0.76 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 56 V 7.39 2.71 1.58 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 -0.53 0.00 0.00 0.76 0.00 0.00 57 T 7.48 3.83 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 1.21 0.00 0.00 58 K 7.92 4.03 0.00 1.55 1.76 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.55 7.81 59 N 7.44 4.60 0.00 2.55 2.81 0.00 0.00 7.00 7.50 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 60 I 6.79 3.50 0.97 0.00 0.00 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 1.28 0.88 0.77 0.00 0.00 61 Q 9.83 4.23 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 62 S 7.91 5.25 0.00 4.25 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 63 S 8.03 4.49 0.00 3.96 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 64 D 7.23 4.29 0.00 2.82 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 65 L 8.23 4.20 0.00 0.27 0.89 0.68 0.68 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 66 Y 7.89 6.13 0.00 2.76 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 67 A 8.59 4.91 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 68 W 9.20 5.41 0.00 3.43 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 69 I 9.14 4.66 2.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.12 1.04 0.00 0.00 70 G 9.32 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.84 4.73 0.00 1.35 1.21 0.75 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.21 5.01 0.00 0.67 1.37 0.00 2.21 0.00 0.00 2.76 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.99 0.00 73 V 8.44 3.80 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 0.77 0.00 0.00 1.04 0.00 0.00 74 E 8.89 4.12 0.00 1.95 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 0.00 2.26 2.26 0.00 75 N 8.08 4.32 0.00 2.72 2.91 0.00 0.00 6.92 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.50 4.16 0.00 1.71 1.84 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.50 7.81 77 E 7.89 4.17 0.00 2.01 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 2.28 2.37 0.00 78 K 8.61 4.09 0.00 1.68 1.82 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.39 7.81 79 Q 7.44 4.54 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.02 0.00 0.00 0.00 0.00 0.00 2.09 2.31 0.00 80 C 8.44 4.28 0.00 2.96 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 81 S 8.40 4.30 0.00 3.71 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 82 S 8.50 4.41 0.00 4.02 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 7.59 5.14 0.00 1.93 1.90 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 2.23 2.30 0.00 84 W 9.29 4.42 0.00 3.55 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 85 S 8.89 4.23 0.00 4.04 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 86 D 8.35 4.66 0.00 2.82 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 87 G 8.41 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 88 S 8.68 4.43 0.00 3.98 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 89 S 8.69 4.87 0.00 3.84 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 90 V 8.67 3.95 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 0.57 0.00 0.00 0.37 0.00 0.00 91 S 9.10 4.51 0.00 3.91 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 92 Y 8.01 4.37 0.00 2.99 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 93 E 7.68 4.40 0.00 1.89 1.73 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 2.09 2.24 0.00 94 N 7.89 4.82 0.00 2.42 2.63 0.00 0.00 6.99 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 95 V 9.15 3.71 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 0.71 0.00 0.00 0.85 0.00 0.00 96 V 8.20 3.72 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 0.87 0.00 0.00 0.89 0.00 0.00 97 E 8.99 3.97 0.00 2.05 2.04 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 2.41 2.30 0.00 98 R 7.66 2.65 0.00 1.22 1.58 0.00 2.89 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.40 0.00 99 T 7.40 4.12 4.17 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 1.12 0.00 0.00 100 V 7.50 3.77 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 0.99 0.00 0.00 0.96 0.00 0.00 101 K 8.39 4.42 0.00 1.63 1.64 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.59 7.81 102 K 8.11 4.35 0.00 1.47 1.61 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.36 7.81 103 C 7.79 4.59 0.00 2.42 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 9.09 5.39 0.00 3.12 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 0.00 105 A 9.10 5.38 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 0.00 106 L 9.50 5.11 0.00 1.94 2.08 1.14 1.58 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 0.00 107 E 9.19 5.06 0.00 2.24 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 2.24 2.38 0.00 108 K 8.57 2.00 0.00 1.50 1.43 0.00 1.81 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.12 1.02 7.81 109 D 7.48 4.38 0.00 2.60 2.52 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 0.00 110 L 8.83 3.62 0.00 1.73 1.77 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 111 G 7.60 3.77 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 0.00 112 F 7.56 4.12 0.00 3.28 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 0.00 113 V 7.99 4.43 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 0.82 0.00 0.00 0.94 0.00 0.00 114 L 7.80 4.62 0.00 1.61 1.62 0.80 0.92 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 0.00 115 W 8.44 5.77 0.00 3.58 3.24 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 0.00 116 I 8.86 4.81 2.00 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 1.18 1.22 0.95 0.00 0.00 117 N 8.43 4.56 0.00 2.19 1.42 0.00 0.00 5.89 7.79 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 0.00 118 L 9.10 4.84 0.00 1.65 1.51 -0.05 -1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 8.45 5.04 0.00 2.93 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 0.00 120 C 8.81 3.92 0.00 2.74 2.85 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 0.00 121 A 6.32 3.89 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 0.00 122 Q 8.11 4.38 0.00 2.51 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.71 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 123 K 8.68 5.13 0.00 1.70 1.82 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.52 7.81 124 N 9.24 5.23 0.00 1.64 2.55 0.00 0.00 6.32 8.13 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 0.00 125 P 0.00 5.20 0.00 1.95 2.11 0.00 4.01 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.08 0.00 126 F 7.78 5.22 0.00 3.25 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 V 8.70 4.94 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 1.27 0.00 0.00 1.10 0.00 0.00 128 C 9.40 5.67 0.00 3.23 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 9.41 5.33 0.00 1.79 1.64 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.15 0.60 7.81 130 S 9.11 5.05 0.00 3.69 3.80 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 0.00 131 P 0.00 5.10 0.00 2.04 2.05 0.00 3.37 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.75 0.00 132 P 0.00 4.36 0.00 2.16 2.20 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 133 P 0.00 4.29 0.00 2.13 1.95 0.00 3.87 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 * Residues marked with a * may have inaccurate shift predictions.