NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5018 8.3049 120.3358 54.9308 33.9723 174.3650 2 N 5.0934 8.0590 116.5139 50.9176 41.4163 172.2121 3 I 4.9529 9.4507 123.3257 59.4978 42.7435 173.1962 4 I 4.8438 8.1635 129.2808 59.5467 39.5798 174.1935 5 L 4.8948 9.3591 130.3514 53.2743 44.1869 175.1046 6 K 4.6682 9.1827 129.8418 55.2312 33.5776 175.1774 7 I 4.3886 8.4106 130.1674 59.8718 38.4562 175.9515 8 S 4.4016 8.8966 122.7575 58.3698 63.3004 175.5525 9 G 3.8888 8.9980 111.5717 47.9470 0.0000 176.1738 10 K 4.9521 7.9929 121.4656 58.7538 31.7894 178.8697 11 F 3.1641 7.7231 119.9816 60.2490 39.0455 176.0865 12 F 4.6018 7.6613 114.3810 57.5041 39.5074 176.2834 13 D 4.8489 8.0892 119.1275 54.1564 41.8580 177.7711 14 E 4.5727 8.2575 120.6783 55.6546 29.1992 177.2284 15 D 4.4026 8.6396 128.8757 56.0971 41.1527 177.4227 16 N 4.2713 8.3497 125.6635 54.7066 45.4448 178.6574 17 V 3.1415 7.9589 125.0716 64.9298 33.2990 174.9991 18 D 4.1639 7.9003 122.9860 53.9081 40.9517 176.6831 *36 R 4.2699 8.2975 122.3192 56.0189 31.7720 174.7690 37 V 5.0694 8.4266 120.2495 61.1835 35.2432 174.1767 38 G 4.7319 9.2266 114.2644 44.5914 0.0000 171.7104 39 I 5.1373 9.0028 125.9839 59.3989 40.3675 174.7143 40 V 4.7413 8.6754 126.4628 61.1902 34.0321 174.0366 41 T 5.0245 8.7087 118.9761 59.8701 70.5669 174.7843 42 G 3.8420 8.6375 112.7218 45.5183 0.0000 174.0704 43 G 3.7305 8.8210 108.6250 46.4091 0.0000 175.0574 44 G 4.2706 8.1042 108.8340 45.6148 0.0000 174.2596 45 S 4.2303 8.7252 112.7905 61.7467 62.9433 176.6885 46 T 3.9919 8.0463 118.7998 66.4642 68.2067 175.9592 47 A 4.0749 7.7954 122.1962 55.3298 18.5020 179.5941 48 R 3.8977 8.0352 116.2053 59.6329 30.1865 178.8094 49 R 3.8284 8.4956 118.4092 60.1364 29.9019 177.9071 50 Y 3.8052 8.3252 115.9216 61.0008 37.8897 178.8046 51 I 3.7824 8.3364 121.0141 64.5797 37.3128 178.5510 52 K 3.9501 8.5952 119.4759 59.4723 31.6339 179.2062 53 L 3.9220 7.9551 119.6087 57.8702 42.2667 178.7321 54 A 4.1325 8.2971 121.0762 55.3146 18.4077 179.4069 55 R 3.8561 8.6287 117.5998 59.7765 29.8312 178.1043 56 E 3.9670 8.1377 118.2941 58.2732 29.5670 177.2942 57 I 4.2166 7.7767 109.8238 60.4177 38.0349 176.0154 58 G 3.9622 8.2612 109.0666 45.8198 0.0000 173.8889 59 I 3.9178 7.6165 120.0326 60.3439 37.8989 177.0101 60 G 3.9952 8.8547 111.2822 44.9981 0.0000 174.1382 61 E 4.0018 8.7873 121.1556 58.7873 29.7575 178.9744 62 A 3.8309 7.8651 120.5050 55.5957 18.4301 179.1632 63 Y 4.2358 7.5146 114.3707 61.0587 38.1237 178.4273 64 L 4.1653 8.1564 120.1642 57.9524 41.6576 179.3628 65 D 4.3652 8.1012 118.5290 57.2225 40.7547 178.5865 66 L 3.9356 7.7151 119.0112 58.0057 41.6953 179.4524 67 L 4.2739 8.6047 119.2736 58.1007 41.5996 180.0145 68 G 3.6429 8.0664 105.1183 47.6891 0.0000 175.8863 69 I 3.6069 8.0502 122.5479 63.9951 37.0619 178.5250 70 W 4.3524 8.7172 119.8356 59.7726 28.8264 178.3573 71 A 3.9857 8.3230 121.0213 55.2551 17.8094 179.8611 72 S 4.1932 8.1420 112.7091 61.6587 63.0086 177.0140 73 R 3.7923 8.0520 121.7145 58.7190 29.9200 178.5579 74 L 4.1897 8.1884 120.4730 58.3682 42.0180 178.8380 75 N 3.9677 7.8366 115.6822 55.4742 38.2234 177.4268 76 A 3.7488 7.5077 122.5228 55.2001 18.4462 179.2372 77 Y 3.5000 8.0592 115.5206 60.8020 37.9964 178.3714 78 L 3.8481 7.4580 120.7687 58.3661 41.9116 179.2839 79 V 3.7127 7.3840 116.4750 66.0856 31.7510 177.3467 80 M 4.1876 8.0932 118.0940 58.9008 31.8089 177.9338 81 F 4.5769 8.6268 118.4591 61.1015 38.9039 177.9524 82 S 4.3203 8.0863 112.2056 60.8483 63.3672 175.6716 83 L 4.3503 8.5684 120.9446 55.1349 41.7623 175.8893 84 Q 3.6490 7.1517 118.7836 55.2948 29.6553 177.0933 85 D 4.8169 9.0508 123.7754 54.5194 38.9171 174.4114 86 L 4.6549 7.9926 117.3973 53.9794 43.7324 175.8439 87 A 5.2108 7.6685 120.1399 50.0000 21.8969 174.7135 88 Y 4.3841 8.8663 122.3589 57.1806 39.7040 177.2496 89 M 4.4721 8.0130 129.5157 54.5463 29.9459 175.3302 90 H 4.6422 7.2524 116.1037 55.1615 33.2768 173.2547 91 V 4.2114 7.8041 126.2519 59.7348 31.1410 173.0145 92 P 4.5984 0.0000 0.0000 63.5546 31.5006 176.5275 93 Q 4.6903 8.8651 117.9829 55.7021 29.6247 175.1699 94 S 3.9560 7.3094 112.3117 55.4447 66.8632 174.6369 95 L 3.3688 7.2207 124.5928 58.3062 41.8559 178.9996 96 E 3.9193 7.9478 117.7312 59.7979 29.3537 179.2167 97 E 4.0309 8.1079 118.2395 59.2116 29.4680 179.2303 98 F 4.1455 8.2654 120.8038 61.4214 39.2772 177.0586 99 I 3.7636 7.8176 118.1783 64.4822 37.1939 177.9516 100 Q 4.0080 7.8567 119.6572 59.4894 28.8453 178.1157 101 D 4.1022 8.3158 120.0808 56.8500 40.5955 178.5773 102 W 3.8528 8.1790 128.3859 59.9916 30.9360 177.8121 103 S 4.1152 7.6476 115.5275 61.6959 61.2717 175.7551 104 H 4.2532 7.2913 116.6632 55.9801 27.9428 176.3343 105 G 3.7362 7.2663 108.0401 45.9771 0.0000 173.4591 106 K 4.5259 6.7590 117.8435 53.2665 35.5458 176.1015 107 V 4.0567 8.4999 120.4148 62.9633 32.6406 174.8277 108 V 4.8914 8.8032 125.9939 61.1179 34.7007 173.8879 109 V 4.9002 8.6464 127.1534 61.5856 33.2867 174.6004 110 T 4.6126 9.5221 124.4823 61.8311 72.1326 173.4489 111 G 3.9802 7.9952 112.1072 44.5055 0.0000 172.7917 112 G 3.5745 8.1537 111.5294 45.6890 0.0000 171.8488 113 F 5.2097 8.1340 113.6360 57.1727 41.5594 175.3598 114 Q 4.5761 7.6659 120.1609 53.2032 32.0944 173.1626 115 P 4.2897 0.0000 0.0000 63.8003 31.8829 176.9701 116 G 3.9517 9.6793 107.6439 45.7313 0.0000 173.1763 117 Q 4.4108 7.4100 115.7859 53.9927 31.4353 173.5507 118 S 4.7692 8.1410 111.6072 56.2438 67.5553 174.4040 119 T 3.7766 8.2713 111.2510 63.9780 68.2095 176.2681 120 A 3.8230 7.8273 124.1247 55.0584 18.3634 179.1302 121 A 3.8561 7.3366 118.8821 55.4066 18.4017 179.8207 122 V 3.3406 7.5079 116.2545 66.0961 31.4147 177.8438 123 A 3.7538 8.2751 120.3621 55.2249 18.1505 179.2356 124 A 3.8085 8.0031 118.9929 55.1546 18.3971 179.3847 125 L 3.7985 8.0902 117.2290 58.3360 41.8718 180.2474 126 V 3.0044 7.9749 117.7146 65.7363 31.2403 177.9336 127 A 3.8800 7.7693 121.9763 54.7629 18.0949 178.6839 128 E 3.7997 8.5664 118.3229 58.9352 29.4901 178.5352 129 A 3.7678 8.2564 123.9676 54.9461 19.0118 178.3752 130 S 4.2451 7.9690 108.5025 57.4709 63.4814 174.3642 131 S 3.6628 8.2615 116.3511 59.9279 60.5337 172.2868 132 S 5.0597 8.1802 115.4059 56.8245 63.9544 175.2329 133 K 4.2689 8.6105 124.1993 58.2346 33.3469 176.6716 134 T 4.9652 7.8641 116.4394 61.4110 72.2154 172.9268 135 L 4.8482 8.8138 128.1380 53.1405 44.4648 175.0952 136 V 4.2194 8.5368 127.9043 62.4841 32.8300 175.0580 137 V 4.5859 8.9043 129.7165 61.2450 32.2737 173.5378 138 A 4.6942 8.7238 129.7064 51.6539 19.4785 175.2043 139 T 5.1930 8.9652 121.5638 61.5393 70.6558 173.9142 140 N 3.9939 8.7520 116.2721 52.9307 37.8208 174.7287 141 V 4.2619 6.9350 119.0322 61.1969 33.5129 175.9064 142 D 4.4202 8.6193 123.4639 55.5675 41.8119 178.0569 143 G 3.8234 5.9961 108.6283 46.3269 0.0000 173.7748 144 V 3.9543 8.6530 126.1370 61.3617 32.0385 174.6545 145 Y 5.2323 7.8228 125.2834 55.9601 39.7093 176.7843 146 E 4.1413 8.8777 121.2258 58.7287 29.6833 177.8256 147 K 4.2626 8.1043 115.9720 56.5253 35.2975 174.4419 148 D 4.8954 7.8628 121.5756 52.9616 40.1316 173.2816 149 P 4.0567 0.0000 0.0000 66.1947 31.4074 178.1044 150 R 3.9002 7.5338 112.8941 57.3935 29.3781 176.7700 *157 L 4.4669 7.5551 120.0152 54.4081 41.7816 175.7074 158 I 3.8021 8.2882 125.2309 61.0607 37.6282 174.3810 159 P 4.4711 0.0000 0.0000 64.5781 32.1758 175.8185 160 H 5.1697 8.1987 115.1791 52.4920 32.5938 171.7961 161 L 4.6382 7.5082 119.2079 56.8009 42.0100 172.2171 162 T 5.2593 8.5387 109.9904 59.2295 71.5239 175.7163 163 T 3.9409 8.4040 111.2036 65.0892 68.9595 176.4928 164 Q 4.0710 8.0119 119.9275 58.0502 28.7708 177.8654 165 D 4.3131 7.8267 120.6381 57.4085 40.7234 178.4158 166 L 3.9431 7.4383 118.7287 58.0231 42.0529 178.9833 167 R 4.0543 7.3803 117.6388 59.6407 30.1390 178.6059 168 K 4.0514 8.1029 116.5611 57.7733 32.3557 179.4908 169 I 2.7952 8.2648 110.6326 63.0800 36.3901 176.5144 *183 L 4.1435 8.4915 127.8499 54.2341 44.4975 175.8767 184 L 4.3833 7.3190 128.3550 52.6123 41.2978 176.5627 185 D 4.5563 8.1663 124.7577 52.2218 41.1290 175.1010 186 P 4.1621 0.0000 0.0000 66.3182 30.7473 177.7525 187 L 3.8545 8.0861 120.0138 57.4768 41.8477 178.6329 188 A 3.9375 7.9658 119.8239 55.3180 18.3212 179.5470 189 I 3.5958 7.6178 117.7924 64.3079 37.2035 178.3542 190 K 3.8423 8.1553 120.5950 59.6923 31.9215 178.8401 191 I 3.6738 7.9055 119.7851 64.6416 37.1868 178.9222 192 V 3.6696 7.9310 113.1154 64.3868 31.1405 178.2754 193 E 4.0071 8.3138 119.0487 58.9632 29.3038 179.0586 194 R 3.8672 8.0416 115.4977 58.7857 29.4606 177.5349 195 S 4.5159 7.9569 111.6849 57.1021 63.8645 174.2031 196 K 3.7968 7.7716 119.0209 57.4433 29.4321 173.9286 197 I 4.6638 8.2895 118.6988 59.2901 39.6608 176.9050 198 R 4.3593 8.7860 124.4656 55.5549 31.1389 175.4481 199 V 4.4881 8.1410 123.8791 61.6528 33.5387 174.5002 200 I 4.6810 8.4039 129.0134 59.5934 39.2082 174.6829 201 V 4.4773 8.5782 129.1129 62.3796 32.8312 174.9539 202 M 4.9498 8.8343 124.1843 53.9506 35.8624 172.7918 203 N 5.1048 8.4232 117.4268 52.1105 40.3091 175.3197 204 Y 4.4704 8.7697 125.2096 59.2962 38.2101 178.2549 205 R 4.3011 8.3747 119.3864 58.2349 30.4108 177.3033 206 K 4.5670 8.4399 117.1242 55.9297 32.7782 177.7312 207 L 3.9728 7.9216 122.1242 57.9529 41.6091 179.2355 208 N 4.2460 8.2672 114.2152 55.3547 36.8621 174.8033 209 R 4.7257 7.9171 118.2359 55.1909 31.2136 177.3298 210 I 3.7564 8.2236 120.3484 63.9951 38.3071 176.3368 211 I 3.6643 7.7908 120.3884 64.8195 37.0228 177.8821 212 D 4.4949 8.0828 118.7968 57.4068 40.4363 178.7569 213 I 3.7284 7.2302 118.6005 64.4262 37.1976 178.1803 214 L 4.1452 7.8034 118.2314 56.7965 41.5109 178.6991 215 K 4.3316 7.4016 115.9560 56.3703 32.6491 177.5810 216 G 4.0173 8.0211 106.3765 45.2298 0.0000 173.5192 217 E 4.3086 7.5154 119.9454 54.5686 28.9603 174.0762 218 E 4.6670 7.1101 117.8705 55.6386 32.7402 175.0740 219 V 3.6959 8.5791 121.1681 63.1412 31.5721 175.0311 220 S 4.9462 7.8165 121.2436 58.3212 64.9722 176.6662 221 S 4.8595 8.0675 117.9643 56.5797 64.4964 173.7039 222 I 4.5165 8.1043 127.2421 59.6040 36.9339 175.1988 223 I 3.8683 8.6991 129.3354 61.2261 38.0786 175.0594 224 E 4.7195 9.0986 127.3810 54.1077 31.7835 173.4983 225 P 4.5555 0.0000 0.0000 62.4564 32.4837 176.6513 226 V 4.0146 8.0946 116.5471 61.6512 32.6539 174.7063 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 M 8.30 4.50 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.66 0.00 2 N 8.06 5.09 0.00 2.90 2.88 0.00 0.00 6.39 6.02 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 3 I 9.45 4.95 1.90 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 1.24 1.68 1.04 0.00 0.00 4 I 8.16 4.84 1.77 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.98 0.82 0.00 0.00 5 L 9.36 4.89 0.00 1.64 1.50 0.87 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 6 K 9.18 4.67 0.00 1.71 1.63 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.48 7.81 7 I 8.41 4.39 1.87 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.03 0.12 0.00 0.00 8 S 8.90 4.40 0.00 4.12 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 9 G 9.00 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 10 K 7.99 4.95 0.00 2.09 2.03 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.42 7.81 11 F 7.72 3.16 0.00 2.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 7.66 4.60 0.00 3.13 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 13 D 8.09 4.85 0.00 2.68 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 14 E 8.26 4.57 0.00 1.70 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 15 D 8.64 4.40 0.00 2.71 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 16 N 8.35 4.27 0.00 2.61 1.96 0.00 0.00 6.92 7.68 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 17 V 7.96 3.14 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 0.69 0.00 0.00 0.94 0.00 0.00 18 D 7.90 4.16 0.00 2.57 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 *36 R 8.30 4.27 0.00 2.15 1.92 0.00 2.85 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 37 V 8.43 5.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.00 0.00 0.00 38 G 9.23 4.73 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 0.00 0.00 0.00 39 I 9.00 5.14 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.05 0.96 0.00 0.00 40 V 8.68 4.74 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 0.91 0.00 0.00 0.73 0.00 0.00 41 T 8.71 5.02 4.20 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 1.26 0.00 0.00 42 G 8.64 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 43 G 8.82 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 0.00 0.00 0.00 44 G 8.10 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.73 4.23 0.00 4.15 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 46 T 8.05 3.99 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 47 A 7.80 4.07 1.40 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 0.00 0.00 48 R 8.04 3.90 0.00 2.07 2.05 0.00 3.19 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 49 R 8.50 3.83 0.00 1.89 2.19 0.00 3.04 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.58 0.00 50 Y 8.33 3.81 0.00 3.21 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 51 I 8.34 3.78 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.03 0.96 0.00 0.00 52 K 8.60 3.95 0.00 1.88 1.87 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.62 7.81 53 L 7.96 3.92 0.00 1.60 1.84 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.30 4.13 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 0.00 0.00 0.00 0.00 0.00 55 R 8.63 3.86 0.00 1.88 2.04 0.00 3.13 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 56 E 8.14 3.97 0.00 2.34 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 0.00 2.33 2.33 0.00 57 I 7.78 4.22 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.81 0.96 0.00 0.00 58 G 8.26 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.62 3.92 1.95 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 1.59 0.90 1.05 0.00 0.00 60 G 8.85 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.79 4.00 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 2.37 2.43 0.00 62 A 7.87 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 7.51 4.24 0.00 3.11 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 64 L 8.16 4.17 0.00 1.90 1.79 0.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.10 4.37 0.00 2.93 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 66 L 7.72 3.94 0.00 2.06 1.94 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.60 4.27 0.00 1.95 1.89 1.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.07 3.64 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 0.00 0.00 0.00 69 I 8.05 3.61 1.79 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 1.40 0.99 0.56 0.00 0.00 70 W 8.72 4.35 0.00 3.42 3.09 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 71 A 8.32 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.14 4.19 0.00 4.21 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 0.00 73 R 8.05 3.79 0.00 2.26 2.13 0.00 2.39 0.00 0.00 2.89 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 74 L 8.19 4.19 0.00 1.79 1.89 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.84 3.97 0.00 2.58 1.65 0.00 0.00 6.87 8.87 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 76 A 7.51 3.75 1.10 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 0.00 0.00 77 Y 8.06 3.50 0.00 2.83 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 0.00 0.00 0.00 0.00 78 L 7.46 3.85 0.00 1.72 1.73 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.38 3.71 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 0.94 0.00 0.00 1.24 0.00 0.00 80 M 8.09 4.19 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.75 0.00 81 F 8.63 4.58 0.00 3.23 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 82 S 8.09 4.32 0.00 4.16 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 83 L 8.57 4.35 0.00 1.91 1.80 0.98 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 7.15 3.65 0.00 2.35 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 5.67 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 85 D 9.05 4.82 0.00 2.92 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 86 L 7.99 4.65 0.00 1.91 1.68 0.95 0.85 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 87 A 7.67 5.21 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 88 Y 8.87 4.38 0.00 2.85 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 89 M 8.01 4.47 0.00 2.04 1.88 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.45 0.00 90 H 7.25 4.64 0.00 2.76 3.09 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.80 4.21 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 0.63 0.00 0.00 -0.14 0.00 0.00 92 P 0.00 4.60 0.00 2.50 2.46 0.00 4.07 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 93 Q 8.87 4.69 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 94 S 7.31 3.96 0.00 3.74 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 95 L 7.22 3.37 0.00 1.47 1.48 0.88 0.84 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 96 E 7.95 3.92 0.00 1.97 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 2.35 2.32 0.00 97 E 8.11 4.03 0.00 2.22 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 0.00 2.38 2.33 0.00 98 F 8.27 4.15 0.00 3.32 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 99 I 7.82 3.76 2.10 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 1.51 0.97 0.94 0.00 0.00 100 Q 7.86 4.01 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 101 D 8.32 4.10 0.00 2.72 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 0.00 102 W 8.18 3.85 0.00 2.50 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 0.00 103 S 7.65 4.12 0.00 3.74 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 7.29 4.25 0.00 2.79 3.12 0.00 5.95 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 7.27 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 K 6.76 4.53 0.00 1.94 1.88 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.46 7.81 107 V 8.50 4.06 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 1.25 0.00 0.00 0.98 0.00 0.00 108 V 8.80 4.89 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 1.31 0.00 0.00 1.08 0.00 0.00 109 V 8.65 4.90 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 0.85 0.00 0.00 0.98 0.00 0.00 110 T 9.52 4.61 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 1.11 0.00 0.00 111 G 8.00 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 0.00 112 G 8.15 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 0.00 0.00 0.00 113 F 8.13 5.21 0.00 2.93 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 0.00 114 Q 7.67 4.58 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.03 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 115 P 0.00 4.29 0.00 2.02 2.03 0.00 3.73 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 1.95 2.03 0.00 116 G 9.68 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 0.00 0.00 0.00 117 Q 7.41 4.41 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 118 S 8.14 4.77 0.00 3.97 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 0.00 119 T 8.27 3.78 4.10 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 1.12 0.00 0.00 120 A 7.83 3.82 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.34 3.86 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 0.00 0.00 0.00 0.00 0.00 122 V 7.51 3.34 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 0.06 0.00 0.00 0.39 0.00 0.00 123 A 8.28 3.75 1.27 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 0.00 124 A 8.00 3.81 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 0.00 125 L 8.09 3.80 0.00 1.88 1.77 1.01 0.95 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 0.00 126 V 7.97 3.00 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 0.04 0.00 0.00 0.04 0.00 0.00 127 A 7.77 3.88 1.27 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 0.00 128 E 8.57 3.80 0.00 2.05 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 2.27 2.29 0.00 129 A 8.26 3.77 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 0.00 130 S 7.97 4.25 0.00 3.11 3.41 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 0.00 131 S 8.26 3.66 0.00 4.05 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 0.00 132 S 8.18 5.06 0.00 3.83 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 0.00 133 K 8.61 4.27 0.00 1.72 1.84 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.47 7.81 134 T 7.86 4.97 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 1.24 0.00 0.00 135 L 8.81 4.85 0.00 1.65 1.47 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.54 4.22 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 0.62 0.00 0.00 0.91 0.00 0.00 137 V 8.90 4.59 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 0.84 0.00 0.00 0.88 0.00 0.00 138 A 8.72 4.69 1.27 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 0.00 139 T 8.97 5.19 4.20 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 1.16 0.00 0.00 140 N 8.75 3.99 0.00 2.73 2.80 0.00 0.00 5.70 7.68 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 0.00 141 V 6.94 4.26 1.82 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 0.39 0.00 0.00 0.83 0.00 0.00 142 D 8.62 4.42 0.00 2.80 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 0.00 143 G 6.00 3.82 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 0.00 0.00 0.00 144 V 8.65 3.95 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 0.94 0.00 0.00 0.84 0.00 0.00 145 Y 7.82 5.23 0.00 3.09 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 0.00 146 E 8.88 4.14 0.00 2.09 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 2.32 2.36 0.00 147 K 8.10 4.26 0.00 1.73 1.80 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.34 7.81 148 D 7.86 4.90 0.00 2.93 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 0.00 149 P 0.00 4.06 0.00 2.08 2.14 0.00 3.80 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.34 0.00 150 R 7.53 3.90 0.00 1.80 1.97 0.00 3.21 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 *157 L 7.56 4.47 0.00 1.80 1.75 1.07 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.29 3.80 1.95 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 1.69 0.96 0.97 0.00 0.00 159 P 0.00 4.47 0.00 2.28 2.28 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 160 H 8.20 5.17 0.00 2.98 3.28 0.00 6.02 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.51 4.64 0.00 1.92 1.85 0.91 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 162 T 8.54 5.26 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 0.00 163 T 8.40 3.94 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 164 Q 8.01 4.07 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 165 D 7.83 4.31 0.00 2.88 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 0.00 166 L 7.44 3.94 0.00 1.64 1.69 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 167 R 7.38 4.05 0.00 1.85 1.98 0.00 3.21 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 168 K 8.10 4.05 0.00 1.91 1.83 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.66 7.81 169 I 8.26 2.80 2.00 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 1.19 0.33 0.91 0.00 0.00 *183 L 8.49 4.14 0.00 1.59 1.60 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 184 L 7.32 4.38 0.00 1.63 1.58 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 185 D 8.17 4.56 0.00 2.84 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 0.00 186 P 0.00 4.16 0.00 2.26 2.35 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 187 L 8.09 3.85 0.00 1.75 1.87 0.90 0.92 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 0.00 188 A 7.97 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 I 7.62 3.60 1.96 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 1.38 1.14 0.89 0.00 0.00 190 K 8.16 3.84 0.00 1.79 2.02 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.48 7.81 191 I 7.91 3.67 1.95 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 1.78 0.62 0.93 0.00 0.00 192 V 7.93 3.67 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 0.79 0.00 0.00 0.98 0.00 0.00 193 E 8.31 4.01 0.00 2.25 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 2.31 2.37 0.00 194 R 8.04 3.87 0.00 1.91 2.16 0.00 3.01 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.60 0.00 195 S 7.96 4.52 0.00 3.97 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 K 7.77 3.80 0.00 1.81 1.79 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.47 7.81 197 I 8.29 4.66 1.83 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 1.37 0.53 0.97 0.00 0.00 198 R 8.79 4.36 0.00 2.00 2.04 0.00 2.92 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 199 V 8.14 4.49 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 1.01 0.00 0.00 0.89 0.00 0.00 200 I 8.40 4.68 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 1.09 0.38 0.87 0.00 0.00 201 V 8.58 4.48 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 0.89 0.00 0.00 0.86 0.00 0.00 202 M 8.83 4.95 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 203 N 8.42 5.10 0.00 2.76 2.65 0.00 0.00 6.63 7.56 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 0.00 204 Y 8.77 4.47 0.00 2.98 3.11 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 0.00 205 R 8.37 4.30 0.00 2.07 2.08 0.00 3.29 0.00 0.00 3.46 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 206 K 8.44 4.57 0.00 1.86 1.79 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.37 7.81 207 L 7.92 3.97 0.00 1.79 1.74 0.69 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 208 N 8.27 4.25 0.00 2.83 3.03 0.00 0.00 5.79 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 0.00 209 R 7.92 4.73 0.00 1.85 1.90 0.00 3.14 0.00 0.00 3.10 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 210 I 8.22 3.76 1.97 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 1.52 1.23 0.96 0.00 0.00 211 I 7.79 3.66 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.26 0.92 0.00 0.00 212 D 8.08 4.49 0.00 2.69 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 0.00 213 I 7.23 3.73 2.02 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 1.80 0.73 0.89 0.00 0.00 214 L 7.80 4.15 0.00 1.85 1.74 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 215 K 7.40 4.33 0.00 1.90 1.86 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.67 7.81 216 G 8.02 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 0.00 217 E 7.52 4.31 0.00 1.97 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 2.29 2.29 0.00 218 E 7.11 4.67 0.00 1.86 1.80 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 2.04 2.18 0.00 219 V 8.58 3.70 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 0.99 0.00 0.00 0.94 0.00 0.00 220 S 7.82 4.95 0.00 3.96 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 0.00 221 S 8.07 4.86 0.00 3.72 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 0.00 222 I 8.10 4.52 1.60 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 1.28 0.45 0.88 0.00 0.00 223 I 8.70 3.87 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.56 0.88 0.00 0.00 224 E 9.10 4.72 0.00 2.03 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 2.29 2.44 0.00 225 P 0.00 4.56 0.00 2.06 2.04 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 226 V 8.09 4.01 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 0.69 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.