NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 N 4.6807 8.4093 119.2179 53.9271 40.1314 173.2532 8 Y 4.7025 7.6257 119.6153 56.0943 40.0780 172.4949 9 S 4.7197 9.3243 118.0900 59.8786 65.7692 175.4784 *10 Y 4.9725 7.8213 118.5134 55.9620 41.7213 179.0493 11 I 4.9450 8.4947 118.7632 60.4571 40.2686 175.0213 12 F 5.2374 9.1969 126.3724 55.7912 41.4509 174.8221 13 K 4.7641 8.7904 123.5897 55.7625 33.7208 175.2135 14 Y 5.3675 9.7930 123.3472 56.2194 41.0363 174.9645 15 I 5.1030 8.4394 116.6100 59.3608 40.6541 174.2487 16 I 5.1584 8.4708 123.1825 59.3939 40.9943 174.1394 17 I 4.6032 9.3738 121.8245 58.8693 41.5784 174.2906 18 G 3.6148 6.7865 108.0605 43.0621 0.0000 172.7484 19 D 4.7770 8.0681 119.9363 54.2505 41.3845 176.4766 20 M 4.0788 8.5060 121.3443 57.1040 32.3212 177.1718 21 G 3.9929 8.9610 110.7778 45.8310 0.0000 174.6435 22 V 3.7263 7.2414 111.9522 62.2490 31.8827 177.0230 23 G 4.3305 8.4171 109.6108 45.7306 0.0000 176.0551 24 K 3.9663 8.5095 121.4700 59.4020 32.0718 179.2132 25 S 4.2189 8.0517 114.8938 61.8137 62.7383 176.4432 26 C 4.2797 8.0918 119.0108 62.6832 27.9084 175.9059 27 L 4.1323 8.3453 120.9361 57.7394 41.2443 179.2982 28 L 4.0554 8.0434 120.2028 58.4928 41.9918 178.5527 29 H 4.0501 8.4190 118.1453 59.2826 29.9582 176.8519 30 Q 4.1380 8.5891 121.8416 59.2676 28.6046 178.3312 31 F 4.0654 7.8321 120.5729 61.4471 39.5175 177.0436 32 T 3.8302 7.7849 110.5505 64.0764 67.9925 176.1960 33 E 4.4724 8.2762 120.9506 56.7740 31.0869 180.2587 34 K 4.7011 8.0456 118.8384 55.8083 29.2976 181.2991 35 K 4.8032 7.4775 119.1307 53.7600 35.6931 178.3318 36 F 4.8560 8.5975 123.0482 56.4245 40.3074 175.0247 37 M 3.7675 7.0327 128.5703 53.6310 32.3067 178.6776 38 A 3.7661 7.3861 128.3686 53.7811 18.4506 178.7009 39 D 4.8421 7.9495 111.9083 53.3394 41.0108 181.2083 40 C 4.9058 7.3929 114.6961 58.9509 28.4037 172.4391 41 P 4.4338 0.0000 0.0000 64.0500 32.0506 177.4970 42 H 4.4960 7.8664 114.0471 56.9359 29.2178 175.5118 43 T 4.3528 7.2176 110.0585 60.4805 70.0966 174.8433 44 I 3.7045 8.2372 123.5010 64.7860 37.3170 177.0280 45 G 4.0802 8.4622 108.5463 44.1623 0.0000 173.8939 46 V 3.6625 8.4475 124.1646 62.5440 31.8525 175.3571 47 E 4.5831 8.9326 123.5121 57.5776 31.3070 175.0555 48 F 5.3228 7.8775 118.8106 56.8663 42.9711 173.5701 49 G 4.0369 6.8338 108.3313 45.9024 0.0000 172.2054 50 T 5.5339 7.8963 109.2430 59.1579 72.4248 173.0560 51 R 4.3493 7.9321 119.4463 55.5278 33.5586 173.2083 52 I 4.7403 8.2143 126.7693 60.1806 38.3054 175.0497 53 I 4.6231 8.9071 122.9268 59.6395 41.2950 174.6535 54 E 5.1202 8.6520 120.7301 54.9023 31.7157 176.5060 55 V 4.2660 8.7902 124.7900 61.1045 33.9648 175.2366 56 S 3.7151 9.9886 121.7361 59.3534 60.6932 172.8066 57 G 3.9301 8.7643 106.5623 45.6631 0.0000 174.4586 58 Q 4.6404 8.4935 120.9069 53.2929 31.0247 179.9216 59 K 4.9338 8.3985 124.7251 54.0995 33.4195 175.0392 60 I 4.8384 8.7825 126.2640 58.2879 41.2469 174.3909 61 K 4.3666 8.5804 128.6331 55.4265 33.4278 175.1168 62 L 4.9577 8.8149 128.3297 53.4734 43.8147 175.4360 63 Q 4.9234 9.0356 122.9024 54.2281 31.6700 174.7023 64 I 5.1648 8.1502 123.8768 59.2738 41.3360 174.1472 65 W 5.2751 9.1434 135.0000 55.6176 33.3591 174.0896 66 D 4.8579 9.5461 128.9602 54.6713 38.9341 175.6320 67 T 3.1445 8.5890 120.1585 62.3066 67.7518 174.8966 68 A 3.8982 9.0085 121.7991 53.0071 16.1223 177.5016 69 G 3.9646 8.3158 104.4736 47.7765 0.0000 176.1831 70 Q 4.0684 7.9012 120.9604 57.9311 28.8055 178.5919 71 E 4.0637 7.9729 115.9019 58.4758 29.8236 184.0729 72 R 4.2519 7.5522 116.5707 58.4660 29.9916 183.2995 *73 F 4.6050 8.0101 114.6179 58.1634 41.0124 181.6293 74 R 4.6466 8.2535 120.1905 54.0839 30.9710 179.3516 75 A 4.0803 8.6646 125.4573 54.2498 18.4306 179.8211 76 V 3.6717 7.7939 116.3621 66.5281 31.7774 178.2613 77 T 3.9028 8.0143 115.0945 66.4905 68.1171 176.2808 78 R 3.8894 8.2692 121.0791 59.4963 29.8854 178.5484 79 S 4.3728 7.8487 112.4854 60.8091 63.7531 175.4261 80 Y 4.2882 8.3524 123.5076 60.8766 38.5614 177.3079 81 Y 4.0453 8.4267 120.4229 61.0516 38.7081 178.4388 82 R 4.3257 8.0092 117.2334 57.9224 30.1510 178.1347 83 G 4.0734 7.4196 103.5984 43.0306 0.0000 173.1749 84 A 3.9985 7.4524 123.9982 52.0212 18.9400 178.0700 85 A 4.1043 8.9399 125.9632 53.9321 20.0770 177.4980 86 G 3.8643 7.5236 100.1215 44.3128 0.0000 171.7632 87 A 5.0164 8.6222 122.7903 49.8495 22.5134 175.1443 88 L 4.6419 8.6646 123.7024 54.0344 43.2564 175.6685 89 M 4.7695 8.9650 125.7567 54.1113 33.7830 174.6760 90 V 4.9860 8.5113 126.9798 61.2135 34.4306 173.9405 91 Y 4.9788 8.5476 124.4698 55.2444 42.2642 173.5729 92 D 4.9035 9.1053 119.9788 52.5865 42.1290 177.0710 93 I 3.9413 8.3477 128.2534 64.5385 37.3104 177.8168 94 T 4.4294 8.0460 107.3445 61.3375 69.3623 175.0410 95 R 4.4697 8.3153 122.0860 53.5965 32.0495 175.4284 96 R 3.9695 9.0576 124.9703 59.4346 29.7270 178.3043 97 S 4.1068 8.1601 113.8026 61.5844 62.6531 176.4816 98 T 4.3699 7.7517 113.8379 64.0936 68.9118 175.8932 99 Y 3.9108 7.8995 122.0946 60.5208 38.7230 177.1836 100 N 4.1998 8.3437 116.5289 55.9425 38.9172 176.0363 101 H 4.6958 7.6797 115.8854 55.9765 28.9366 176.9940 102 L 4.2054 7.6146 123.5301 57.8198 41.3262 179.4562 103 S 4.3775 8.0606 116.3183 62.0938 62.9517 177.2981 104 S 4.0093 7.8856 121.7728 62.9148 62.0002 179.0237 105 W 4.5727 7.8579 122.4722 59.4575 28.7977 178.4775 106 L 4.0664 8.6139 120.8697 58.3288 41.4454 179.1482 107 T 3.8583 8.0013 115.6790 66.7395 68.4421 175.9955 108 D 4.3809 8.0380 120.4077 57.9481 40.8176 178.3332 109 A 4.1272 8.4763 120.6777 56.0586 18.0413 179.7632 110 R 3.8915 8.2182 115.4255 59.3890 30.4830 178.6985 111 N 4.4508 8.4156 115.6423 55.7462 38.9552 175.1442 112 L 4.7926 7.9429 117.0426 54.4580 43.8251 177.3025 113 T 5.1893 7.7643 110.0914 60.7918 68.3266 173.8786 114 N 5.1504 8.6467 117.1294 49.8433 40.3986 173.8787 115 P 4.3538 0.0000 0.0000 65.1270 31.4954 177.7302 116 N 4.4468 8.1919 114.9241 55.2446 38.8358 175.5654 117 T 3.8588 7.5633 114.7816 64.3975 69.1554 173.7301 118 V 4.0160 8.5919 127.2073 61.8441 32.7164 174.4851 119 I 4.8279 8.2525 128.3537 59.4517 39.8999 174.1288 120 I 4.7893 8.6351 127.4074 58.9812 40.9804 173.7814 121 L 4.9421 9.3052 132.0572 54.4972 43.6644 175.0800 122 I 4.8366 8.9899 127.5843 59.4833 40.2811 174.8401 123 G 3.3004 8.7497 115.4283 44.7835 0.0000 172.7732 124 N 5.0369 8.4939 126.0244 51.7639 41.9418 174.3800 125 K 4.3898 8.7222 115.9304 56.9499 29.1523 178.0913 126 A 4.1506 8.0294 123.0808 54.5187 18.3689 179.6666 127 D 4.3933 8.0074 115.4576 55.8341 40.5989 176.7917 128 L 4.5604 7.5407 122.4758 53.1976 40.8967 177.0902 129 E 3.8951 8.1264 122.4220 59.5752 30.0986 180.2780 130 A 4.0682 8.0337 119.2293 54.4839 18.2630 177.8770 131 Q 4.5059 7.9441 113.6163 55.3092 29.2074 175.2643 132 R 4.0936 7.6007 118.7552 57.2440 30.2036 175.5669 133 D 4.8521 9.0488 123.2763 53.6040 43.2541 175.7584 134 V 4.3797 7.5384 117.7007 60.5982 34.0444 175.4980 135 T 4.2725 8.5839 117.7338 61.3504 70.9471 175.1767 136 Y 4.4980 8.5881 124.7719 60.4703 38.9948 178.4640 137 E 4.1002 8.3847 119.1418 59.5016 29.6867 179.0724 138 E 3.9599 8.2594 117.3911 59.4119 29.6547 179.0342 139 A 4.0178 7.5926 122.8920 55.1996 18.3042 180.4012 140 K 3.6010 7.8469 124.8287 60.4340 31.6938 182.7160 141 Q 4.2072 7.9571 121.3810 59.8539 27.9094 180.5235 142 F 4.2118 8.2036 122.2677 61.1867 39.4319 177.1200 143 A 3.9759 8.1801 122.7929 55.7803 18.0375 180.1450 144 E 3.9164 8.2586 116.8309 61.3067 29.6045 180.7865 145 E 4.0978 7.9486 118.7559 58.7945 29.6014 178.4137 146 N 4.6490 7.3955 113.0117 51.6944 39.2269 174.9171 147 G 3.8431 7.4958 108.3516 46.7463 0.0000 173.8210 148 L 4.8566 7.9682 118.3276 52.5643 44.2013 177.2148 149 L 4.4391 8.0617 120.1649 54.9040 43.2615 176.0363 150 F 5.6078 8.4975 122.7266 57.0405 42.4533 173.5773 151 L 4.4367 8.5210 125.0011 52.8562 46.3218 175.1766 152 E 4.8486 8.3232 121.7189 55.4744 31.4450 175.2018 153 A 4.8899 9.1757 125.0363 50.4970 24.0303 174.8099 154 S 4.6196 8.9057 112.4682 56.6631 64.4546 174.6008 155 A 4.1760 8.8663 131.7256 54.9671 18.6150 178.8457 156 K 2.6742 7.8534 116.4861 59.1578 32.2921 177.9291 157 T 4.0439 7.5379 107.0385 61.9839 69.5999 175.8002 158 G 3.9201 8.6088 110.7148 44.5854 0.0000 172.5090 159 E 4.0236 7.8898 121.8701 57.4323 29.8160 176.7087 160 N 4.4421 9.0292 121.9025 54.3024 36.3364 176.3670 161 V 3.6922 7.7610 119.7402 65.9006 31.5754 177.6968 162 E 4.3198 8.2857 118.6048 59.6611 29.6304 178.2836 163 D 4.4019 8.2606 118.1424 57.2546 40.9230 178.1297 164 A 3.8803 8.1420 121.2599 55.7083 18.3486 179.8582 165 F 4.1826 8.0171 117.6638 61.0553 38.8655 178.8117 166 L 4.2083 8.2471 122.1402 59.4425 40.7200 181.3997 167 E 4.2139 8.8393 119.6959 59.0909 29.3698 179.2086 168 A 3.9475 7.7214 119.2342 55.2687 18.2601 179.5538 169 A 4.3761 8.0108 119.8550 56.0495 18.9064 180.3673 170 K 4.2807 8.4609 124.7623 60.4638 31.5505 182.3170 171 K 4.2978 7.8062 123.4698 59.7309 31.7163 181.5774 172 I 3.8686 7.8072 121.8475 63.0096 36.9492 176.4444 *173 Y 3.9706 7.5871 122.2781 57.1896 37.3474 174.0712 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 7 N 8.41 4.68 0.00 2.67 2.79 0.00 0.00 6.84 6.66 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 8 Y 7.63 4.70 0.00 3.19 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 9.32 4.72 0.00 3.75 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 *10 Y 7.82 4.97 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.49 4.95 2.00 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 1.33 1.33 0.99 0.00 0.00 12 F 9.20 5.24 0.00 2.98 3.15 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 13 K 8.79 4.76 0.00 1.49 1.10 0.00 1.33 0.00 0.00 0.76 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.59 1.41 7.81 14 Y 9.79 5.37 0.00 3.06 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 15 I 8.44 5.10 1.77 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.77 0.89 0.00 0.00 16 I 8.47 5.16 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 1.27 1.56 1.05 0.00 0.00 17 I 9.37 4.60 1.55 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.43 0.96 0.00 0.00 18 G 6.79 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.07 4.78 0.00 2.94 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 20 M 8.51 4.08 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 21 G 8.96 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.24 3.73 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 0.76 0.00 0.00 0.95 0.00 0.00 23 G 8.42 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 0.00 0.00 0.00 0.00 24 K 8.51 3.97 0.00 1.82 1.88 0.00 1.70 0.00 0.00 1.57 0.00 0.00 3.14 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.48 7.81 25 S 8.05 4.22 0.00 3.89 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 26 C 8.09 4.28 0.00 3.24 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 27 L 8.35 4.13 0.00 2.00 1.91 0.90 0.85 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 28 L 8.04 4.06 0.00 1.93 2.05 0.86 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 29 H 8.42 4.05 0.00 3.44 3.43 0.00 5.85 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 30 Q 8.59 4.14 0.00 2.40 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.60 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 31 F 7.83 4.07 0.00 2.66 2.68 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 0.00 0.00 0.00 32 T 7.78 3.83 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 1.14 0.00 0.00 33 E 8.28 4.47 0.00 1.95 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 2.13 2.14 0.00 34 K 8.05 4.70 0.00 1.93 1.78 0.00 1.63 0.00 0.00 2.40 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.26 0.94 7.81 35 K 7.48 4.80 0.00 1.87 1.53 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.28 1.23 7.81 36 F 8.60 4.86 0.00 3.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 M 7.03 3.77 0.00 1.84 1.52 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.14 0.00 38 A 7.39 3.77 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.95 4.84 0.00 2.70 2.55 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 0.00 0.00 0.00 0.00 40 C 7.39 4.91 0.00 2.74 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 41 P 0.00 4.43 0.00 2.18 2.15 0.00 3.81 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 2.01 1.96 0.00 42 H 7.87 4.50 0.00 3.29 3.46 0.00 5.52 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.22 4.35 4.18 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 0.00 0.00 0.00 1.08 0.00 0.00 44 I 8.24 3.70 1.88 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 1.36 0.55 0.94 0.00 0.00 45 G 8.46 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 46 V 8.45 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 0.80 0.00 0.00 1.00 0.00 0.00 47 E 8.93 4.58 0.00 2.20 2.09 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 2.70 2.80 0.00 48 F 7.88 5.32 0.00 2.62 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 49 G 6.83 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 0.00 0.00 0.00 50 T 7.90 5.53 4.16 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 1.10 0.00 0.00 51 R 7.93 4.35 0.00 1.56 1.54 0.00 2.53 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.31 0.00 52 I 8.21 4.74 1.79 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.52 0.89 0.00 0.00 53 I 8.91 4.62 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.29 1.03 0.00 0.00 54 E 8.65 5.12 0.00 1.75 1.77 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 2.14 1.84 0.00 55 V 8.79 4.27 2.09 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 1.00 0.00 0.00 0.98 0.00 0.00 56 S 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.05 1.17 0.00 0.00 65 W 9.14 5.28 0.00 3.41 2.87 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 66 D 9.55 4.86 0.00 2.84 2.90 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 67 T 8.59 3.14 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 1.36 0.00 0.00 68 A 9.01 3.90 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.32 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 70 Q 7.90 4.07 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 71 E 7.97 4.06 0.00 1.99 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 2.23 1.88 0.00 72 R 7.55 4.25 0.00 1.81 1.86 0.00 3.17 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 *73 F 8.01 4.60 0.00 2.24 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 74 R 8.25 4.65 0.00 1.67 1.82 0.00 3.24 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 75 A 8.66 4.08 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.79 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 1.22 0.00 0.00 1.00 0.00 0.00 77 T 8.01 3.90 4.25 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 0.00 0.00 0.00 0.64 0.00 0.00 78 R 8.27 3.89 0.00 2.08 2.10 0.00 3.08 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 79 S 7.85 4.37 0.00 4.10 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 80 Y 8.35 4.29 0.00 3.48 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 81 Y 8.43 4.05 0.00 3.45 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 82 R 8.01 4.33 0.00 2.01 2.03 0.00 3.39 0.00 0.00 3.58 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 83 G 7.42 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 84 A 7.45 4.00 1.17 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 0.00 0.00 85 A 8.94 4.10 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 7.52 3.86 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 0.00 0.00 0.00 87 A 8.62 5.02 1.08 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 88 L 8.66 4.64 0.00 1.51 1.46 0.07 0.21 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 89 M 8.97 4.77 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 90 V 8.51 4.99 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 0.90 0.00 0.00 0.85 0.00 0.00 91 Y 8.55 4.98 0.00 3.20 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 92 D 9.11 4.90 0.00 2.76 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 93 I 8.35 3.94 1.89 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 1.50 0.48 0.99 0.00 0.00 94 T 8.05 4.43 4.34 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 0.00 0.00 0.00 1.22 0.00 0.00 95 R 8.32 4.47 0.00 1.88 1.93 0.00 3.18 0.00 0.00 3.40 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 96 R 9.06 3.97 0.00 2.10 1.95 0.00 3.06 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 97 S 8.16 4.11 0.00 4.08 4.13 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 98 T 7.75 4.37 4.40 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 1.36 0.00 0.00 99 Y 7.90 3.91 0.00 2.75 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 0.00 100 N 8.34 4.20 0.00 2.73 2.74 0.00 0.00 7.08 7.95 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 0.00 101 H 7.68 4.70 0.00 3.34 3.26 0.00 5.62 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.61 4.21 0.00 1.02 1.43 0.15 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 103 S 8.06 4.38 0.00 4.08 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 0.00 104 S 7.89 4.01 0.00 3.76 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 0.00 105 W 7.86 4.57 0.00 3.58 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 0.00 106 L 8.61 4.07 0.00 2.04 1.93 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.00 3.86 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 1.19 0.00 0.00 108 D 8.04 4.38 0.00 3.07 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 0.00 109 A 8.48 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 0.00 110 R 8.22 3.89 0.00 1.82 2.02 0.00 3.33 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 1.68 1.79 0.00 111 N 8.42 4.45 0.00 2.73 3.06 0.00 0.00 7.13 7.36 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 0.00 112 L 7.94 4.79 0.00 1.89 1.55 0.63 0.81 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 0.00 113 T 7.76 5.19 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 1.21 0.00 0.00 114 N 8.65 5.15 0.00 2.94 3.08 0.00 0.00 7.39 7.24 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 0.00 115 P 0.00 4.35 0.00 2.04 2.14 0.00 3.66 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 2.02 2.10 0.00 116 N 8.19 4.45 0.00 2.86 2.79 0.00 0.00 6.96 7.14 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 0.00 117 T 7.56 3.86 4.18 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 0.00 0.00 0.00 1.10 0.00 0.00 118 V 8.59 4.02 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 0.95 0.00 0.00 0.89 0.00 0.00 119 I 8.25 4.83 1.84 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 1.16 0.99 0.96 0.00 0.00 120 I 8.64 4.79 1.81 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 1.09 1.86 0.83 0.00 0.00 121 L 9.31 4.94 0.00 1.94 1.95 1.27 0.84 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 0.00 122 I 8.99 4.84 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.95 0.80 0.00 0.00 123 G 8.75 3.30 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 0.00 124 N 8.49 5.04 0.00 2.74 2.73 0.00 0.00 6.87 6.69 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 0.00 125 K 8.72 4.39 0.00 2.00 1.87 0.00 2.34 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.36 7.81 126 A 8.03 4.15 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 0.00 127 D 8.01 4.39 0.00 2.85 2.87 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 0.00 128 L 7.54 4.56 0.00 1.76 1.66 0.92 0.69 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 0.00 129 E 8.13 3.90 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 130 A 8.03 4.07 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 0.00 131 Q 7.94 4.51 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 132 R 7.60 4.09 0.00 1.89 1.88 0.00 3.22 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 133 D 9.05 4.85 0.00 2.70 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.54 4.38 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 0.16 0.00 0.00 0.76 0.00 0.00 135 T 8.58 4.27 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 136 Y 8.59 4.50 0.00 3.22 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 0.00 137 E 8.38 4.10 0.00 2.16 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 2.49 2.60 0.00 138 E 8.26 3.96 0.00 2.17 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 0.00 2.24 1.86 0.00 139 A 7.59 4.02 0.95 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 0.00 140 K 7.85 3.60 0.00 1.78 1.83 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.33 7.81 141 Q 7.96 4.21 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 142 F 8.20 4.21 0.00 3.07 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 0.00 143 A 8.18 3.98 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 0.00 144 E 8.26 3.92 0.00 1.99 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 2.24 2.22 0.00 145 E 7.95 4.10 0.00 2.02 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 2.30 0.00 146 N 7.40 4.65 0.00 2.30 2.58 0.00 0.00 7.03 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 0.00 147 G 7.50 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 0.00 148 L 7.97 4.86 0.00 1.51 1.73 0.95 0.93 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 0.00 149 L 8.06 4.44 0.00 1.66 1.61 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 150 F 8.50 5.61 0.00 2.89 2.90 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 0.00 151 L 8.52 4.44 0.00 1.46 1.32 0.88 0.73 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 0.00 152 E 8.32 4.85 0.00 1.92 1.86 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 2.46 2.35 0.00 153 A 9.18 4.89 1.15 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 0.00 154 S 8.91 4.62 0.00 3.80 3.63 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 0.00 155 A 8.87 4.18 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 0.00 156 K 7.85 2.67 0.00 1.00 1.44 0.00 1.47 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.82 0.21 7.81 157 T 7.54 4.04 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 1.11 0.00 0.00 158 G 8.61 3.92 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 0.00 0.00 0.00 159 E 7.89 4.02 0.00 1.94 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 2.28 2.27 0.00 160 N 9.03 4.44 0.00 3.02 2.88 0.00 0.00 6.75 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 0.00 161 V 7.76 3.69 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 1.26 0.00 0.00 1.03 0.00 0.00 162 E 8.29 4.32 0.00 2.25 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 2.47 2.64 0.00 163 D 8.26 4.40 0.00 2.97 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 0.00 164 A 8.14 3.88 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 F 8.02 4.18 0.00 2.27 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 8.25 4.21 0.00 1.66 1.67 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 167 E 8.84 4.21 0.00 2.02 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 2.48 2.49 0.00 168 A 7.72 3.95 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 0.00 169 A 8.01 4.38 1.66 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 0.00 170 K 8.46 4.28 0.00 1.80 1.83 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 171 K 7.81 4.30 0.00 1.83 1.76 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.35 7.81 172 I 7.81 3.87 1.91 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.02 0.09 0.00 0.00 *173 Y 7.59 3.97 0.00 2.55 2.17 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 * Residues marked with a * may have inaccurate shift predictions.