NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.6130 8.1733 120.0832 56.3480 34.2469 174.0372 5 I 4.9479 9.3076 125.2007 59.0683 40.0325 173.0472 6 A 5.2655 9.3583 127.5951 50.1216 23.2002 174.6819 7 V 4.8559 9.0522 120.4789 61.0972 34.9787 174.5371 8 V 4.8481 8.6744 127.3850 61.4094 34.4059 174.7186 9 T 4.5193 8.6845 118.2956 60.2945 71.3753 174.3001 10 G 3.8882 8.6898 107.2593 46.6109 0.0000 175.3596 11 A 4.1704 8.4530 123.0085 53.6309 18.2976 179.2247 12 T 4.3847 7.7209 104.4013 61.0448 69.6642 175.2347 13 G 3.9755 7.9957 110.5660 43.7811 0.0000 174.9783 14 G 3.6885 8.4909 106.3274 48.1522 0.0000 175.4697 15 M 4.1201 8.1348 121.3371 58.0122 32.0715 178.8448 16 G 3.6742 8.0737 104.9371 47.9620 0.0000 175.1176 17 I 3.6751 7.9924 122.8325 64.4811 37.2841 178.3327 18 E 4.1147 8.0578 118.1837 58.8476 29.3102 179.4919 19 I 3.7241 8.0617 120.8350 64.1419 37.1687 178.4023 20 V 3.5471 8.2703 119.3929 65.9273 31.1533 177.8487 21 K 3.8387 7.7199 116.7275 59.8120 32.2975 178.2893 22 D 4.4762 7.9759 117.6473 57.4999 41.0928 178.2611 23 L 4.1566 8.1250 119.2316 57.1500 41.3927 179.4066 24 S 4.3181 8.0035 115.3195 60.6155 62.8330 176.1579 25 R 4.1649 7.2288 120.8975 58.6307 29.9452 176.9113 26 D 4.8784 7.8286 112.1628 52.7737 40.3992 174.3165 27 H 5.2320 8.5129 116.6326 54.1151 33.5377 172.7302 28 I 4.2981 8.6202 122.2066 61.3109 38.2609 175.2681 29 V 4.6040 8.4886 128.5827 61.2111 33.4027 174.5122 30 Y 4.4515 9.2892 127.6736 57.9054 38.7319 175.0536 31 A 4.6063 8.3322 127.3020 50.1107 20.3389 174.7633 32 L 4.5568 8.7032 122.1692 55.2993 43.2450 176.9199 33 G 4.2602 9.0771 112.5870 46.5946 0.0000 173.6215 34 R 4.1988 8.5773 116.0367 57.8790 30.8355 173.9350 35 N 4.4123 7.9490 121.8876 53.2174 39.5349 173.4747 36 P 4.3290 0.0000 0.0000 65.7672 31.4433 179.1833 37 E 4.0424 8.1580 117.2132 61.2721 29.8010 183.0029 38 H 4.4569 9.1432 117.4831 58.5952 28.4785 177.9878 39 L 4.0450 8.0006 120.3867 57.4286 41.7517 179.1210 40 A 4.0788 8.2439 120.6210 55.0144 18.2805 179.1113 41 A 3.9234 8.1838 119.8447 55.7977 18.3309 179.9447 42 L 3.9473 8.3813 117.1678 57.8574 41.4438 179.6472 43 A 4.0387 7.7001 119.6015 54.7414 18.2882 178.9145 44 E 4.0586 7.7454 116.6502 58.4161 30.0199 177.8855 45 I 3.9197 7.6599 121.2652 60.2785 37.7153 175.1097 46 E 4.0493 8.6392 126.6879 57.8967 29.9605 176.9917 47 G 3.8322 9.0797 113.8491 44.8675 0.0000 172.2395 48 V 4.3363 7.3811 122.1974 62.2052 32.2702 176.3253 49 E 4.5456 8.4625 127.9764 54.1820 29.7352 170.0636 50 P 4.7309 0.0000 0.0000 62.3349 33.2159 176.4492 51 I 4.5680 8.3542 123.9058 60.4667 41.2433 175.0525 52 E 4.6486 8.8859 126.2096 56.6708 30.2631 172.7243 53 S 4.7343 8.6735 118.2999 56.5534 66.3013 173.9013 54 D 4.7165 9.3630 127.3750 52.5468 40.2988 176.4095 55 I 3.7479 8.0154 126.0231 63.3708 38.1084 177.2334 56 V 3.6199 7.8946 121.2610 66.5580 31.4717 178.4451 57 K 3.9294 8.1784 123.2468 59.9515 31.6363 180.8303 58 E 4.2786 8.2158 119.9461 59.2464 29.3116 179.6514 59 V 3.5974 7.8312 117.0964 65.6254 31.6581 177.0644 60 L 4.2279 7.9877 119.8917 57.9938 42.2071 178.8111 61 E 4.1266 8.1317 113.1455 58.6427 29.6857 179.6422 62 E 4.3550 8.2004 116.0246 55.8951 30.2689 177.0811 63 G 3.9323 8.3170 107.0444 44.2177 0.0000 173.5098 64 G 4.4006 6.7724 110.9201 44.2716 0.0000 172.7130 65 V 3.9362 7.5801 120.8779 61.7776 32.1640 176.0254 66 D 4.3315 8.9215 130.1088 58.6649 40.8391 179.7890 67 K 4.2424 7.9894 117.9005 56.0886 31.4938 179.3740 68 L 4.3849 7.8069 117.4451 55.5277 42.7039 178.5845 69 K 3.8763 8.0275 118.9055 59.3961 31.9952 177.6570 70 N 4.5454 7.8940 113.2084 53.6641 37.9191 174.9913 71 L 4.1829 7.2976 120.1320 54.5890 42.3838 176.4514 72 D 4.7377 8.6757 121.7935 53.8016 40.7340 175.7077 73 H 5.2431 8.0712 116.3677 53.7927 31.8839 172.6864 74 V 4.3914 8.2977 122.9652 61.2961 33.8812 175.4140 75 D 4.7010 9.2106 127.5398 56.2091 42.7970 176.5974 76 T 4.9508 7.7726 114.7137 61.8946 72.6708 172.6846 77 L 5.0563 9.2848 129.7470 53.0830 44.8378 175.1272 78 V 4.5285 8.5464 126.3530 61.4120 34.6049 174.1602 79 H 4.9902 9.1290 126.8516 55.0251 29.0550 175.4138 80 A 4.7957 8.5171 123.6600 51.3462 20.2722 176.1812 81 A 4.1031 7.8229 118.7652 51.9020 19.3565 177.8654 *92 G 3.7220 8.3103 105.2838 45.4852 0.0000 174.1005 93 S 4.6022 7.8455 114.8112 56.9792 65.7953 173.8813 94 V 3.7365 8.5077 120.6057 66.4098 30.9280 177.7180 95 A 4.1829 8.0590 119.8773 54.7341 18.3046 179.0996 96 E 3.9171 7.9859 118.3585 59.0514 29.6599 178.7170 97 W 4.2423 8.3172 119.1224 60.4935 29.1270 178.2446 98 H 4.3463 8.4996 115.5351 58.8412 28.2531 177.8310 99 A 4.0200 8.0126 122.4029 55.4594 18.1531 179.4452 100 H 4.1429 8.3383 114.7045 58.8405 28.9403 178.0785 101 L 4.0466 8.3013 120.9527 57.6680 41.4727 179.1102 102 D 4.3630 8.4400 119.1784 57.5549 40.6413 178.7477 103 L 4.0001 7.6800 119.0233 57.7461 42.2485 177.9200 104 N 4.6872 8.6593 114.8004 53.6142 39.3621 175.3694 105 V 4.1804 7.4217 117.3077 64.2502 33.8335 177.5002 106 I 3.7416 7.9391 120.4306 64.1400 36.8511 178.4825 107 V 3.5643 7.8168 119.0928 65.7736 31.3568 176.3587 108 P 4.0862 0.0000 0.0000 65.3207 31.2375 178.4983 109 A 3.8062 7.8376 119.3496 55.1939 18.2919 179.5739 110 E 3.9585 8.4332 117.3577 59.0313 29.6057 179.1360 111 L 3.9192 8.2845 120.8870 58.4493 41.9858 179.3019 112 S 4.1079 7.7246 113.6227 61.5422 63.0583 176.4266 113 R 4.1097 7.7621 121.0179 59.2868 29.8632 178.4245 114 Q 4.0471 8.5340 118.4214 58.7446 28.6743 178.0054 115 L 4.4991 7.8854 117.6101 54.6254 41.7992 178.2071 116 L 4.0140 7.6358 122.7110 57.9481 41.9786 177.3486 117 P 4.2367 0.0000 0.0000 65.4330 31.4590 178.3986 118 A 4.7138 7.8484 120.4948 54.7506 18.2455 179.5260 119 L 4.2415 8.1345 119.0246 57.3840 41.6554 180.0164 120 R 3.8507 8.1799 117.8082 59.1949 29.8293 178.7991 121 A 3.8298 7.6888 120.0709 55.1621 18.3405 178.3308 122 A 4.1115 7.8261 114.9653 52.3389 19.5792 177.0489 123 S 3.7105 7.1519 111.1554 58.0527 60.9194 171.0369 124 G 4.0621 8.2269 109.2385 45.7149 0.0000 172.0676 125 C 5.4871 8.9976 117.0832 57.7779 31.4119 173.6850 126 V 4.6899 8.7132 122.9014 61.1727 33.6539 174.1732 127 I 4.9245 8.9156 128.9142 59.7368 40.0805 173.9421 128 Y 4.8809 8.7204 124.8633 56.4079 40.1189 174.9186 129 I 4.6091 8.1919 125.6608 59.9885 37.9680 175.5099 130 N 4.3955 9.0164 127.0504 53.1675 40.5759 174.2357 *140 G 3.8466 8.4306 111.0808 45.1137 0.0000 173.4319 141 N 4.1739 8.8214 121.3209 56.9753 38.5160 177.4615 142 T 3.8923 7.7311 113.6205 65.1472 67.5430 176.3010 143 I 2.6830 7.3904 121.8876 63.6565 36.9179 177.8267 144 Y 3.8248 7.7253 119.7837 60.5894 38.8026 177.5395 145 A 4.0598 8.3505 121.6214 55.2844 18.5110 179.5036 146 A 4.0632 8.1453 119.5120 55.1792 18.5033 179.8803 147 S 4.1797 8.2227 112.7248 60.8324 63.3264 176.4183 148 K 4.2201 8.0958 125.0345 59.1277 31.7813 178.4153 149 H 4.0715 8.2850 115.9844 58.7013 28.5388 177.4853 150 A 3.9783 8.1358 122.6239 55.1747 18.1231 179.3680 151 L 3.6781 7.8907 118.6161 58.3536 42.1743 179.2743 152 R 3.8896 7.8126 118.5083 59.1227 29.9770 178.6334 153 G 3.5938 8.4139 106.0960 47.5997 0.0000 175.1423 154 L 3.8529 8.4347 123.4168 57.8436 41.9764 179.0402 155 A 3.8417 7.8411 120.4146 55.3814 18.2376 179.3366 156 D 4.3612 8.1651 117.1822 57.4841 40.7982 178.9877 157 A 4.0547 8.1418 121.3414 54.7833 18.3591 179.3075 158 F 4.2259 8.7932 119.7069 61.4848 39.2265 177.2229 159 R 3.7250 8.2412 117.4157 59.3605 29.6989 178.1444 160 K 4.0278 7.7076 118.1437 59.7915 31.9066 179.0574 161 E 4.0365 8.0880 117.1344 58.5838 29.7566 177.8521 162 E 4.4033 7.4496 115.2872 55.7614 30.1897 177.6564 163 A 3.9833 7.5025 122.6645 54.9533 18.4605 178.9998 164 N 4.5585 7.9986 111.1461 54.7958 38.8288 175.3159 165 N 4.7121 7.9541 115.6804 52.8684 38.4577 176.2502 166 G 4.1669 8.0928 104.8963 46.0808 0.0000 173.1444 167 I 4.6562 7.0443 120.3019 60.1764 38.0759 175.7257 168 R 4.6326 8.5808 126.0083 54.9128 32.5194 175.6430 169 V 4.9636 8.1320 120.6734 61.5107 34.7738 174.3679 170 S 5.1307 9.4538 121.7230 56.8739 66.4421 172.4077 171 T 5.2875 9.0082 115.7161 59.9240 71.9582 172.8395 172 V 4.5647 8.8440 124.6318 61.5853 33.8398 174.5783 173 S 4.9316 8.8778 125.5997 56.2266 64.4076 172.4930 174 P 5.2947 0.0000 0.0000 62.1829 32.3583 176.1657 175 G 3.9989 8.4034 107.7589 46.3424 0.0000 173.3640 *199 I 3.8597 7.7424 120.3596 60.4884 38.3930 175.2451 200 E 3.9775 8.7479 124.5087 56.2859 29.8659 175.9722 201 P 4.3964 0.0000 0.0000 66.5912 31.2673 179.0964 202 K 4.1985 8.0072 121.0524 59.0070 31.6266 181.7432 203 E 4.2017 8.5547 118.1549 59.9386 29.2895 179.2114 204 I 3.7005 7.7362 119.2782 64.2844 37.1738 178.1486 205 A 3.9922 7.8595 121.2312 55.1676 18.1728 179.3697 206 N 4.2738 8.5314 115.0949 56.4404 38.6676 177.2661 207 A 4.1187 8.1577 122.2109 55.5124 18.4746 179.8361 208 I 3.7184 8.1291 118.4055 64.3930 37.0360 178.5334 209 R 3.9146 8.3828 120.0200 59.5723 29.6772 178.3501 210 F 4.2133 8.5055 119.6479 61.1570 39.3767 177.0433 211 V 3.4458 7.8585 118.2851 65.7757 31.2007 177.9870 212 I 3.8739 7.6985 111.0268 62.8233 37.5772 176.7510 213 D 4.7681 7.2475 119.1069 53.0220 41.4814 176.3086 214 A 3.9051 6.8162 122.6870 51.6825 19.1530 178.4697 215 G 3.8397 8.4848 111.9148 45.8716 0.0000 175.2239 216 E 3.9838 8.6711 115.0595 58.5877 29.7157 176.1569 217 T 4.5204 7.7633 105.9874 61.6100 69.2823 174.3960 218 T 4.6852 7.6281 117.9596 61.9443 72.2402 173.2045 219 Q 4.4986 8.4801 122.5670 54.2330 31.2335 175.1882 220 I 4.1963 8.0904 121.9597 60.4800 37.2663 175.5618 221 T 4.4479 8.4261 117.3147 64.0190 70.2502 174.2567 222 N 5.4761 7.9570 118.3492 52.0561 42.3970 173.8077 223 V 4.4809 8.6920 124.8504 61.2570 34.6830 173.6640 224 D 5.2326 8.8247 127.8493 53.0930 42.3184 175.9747 225 V 4.5512 8.5281 123.3589 61.2279 34.6363 174.5006 226 R 4.9922 8.3672 124.2915 53.7476 34.6523 173.3754 227 P 4.4003 0.0000 0.0000 63.0183 31.3541 176.6354 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 4 K 8.17 4.61 0.00 1.74 1.77 0.00 1.57 0.00 0.00 1.78 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.41 7.81 5 I 9.31 4.95 2.05 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 1.31 1.05 1.04 0.00 0.00 6 A 9.36 5.27 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 7 V 9.05 4.86 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 1.00 0.00 0.00 0.90 0.00 0.00 8 V 8.67 4.85 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 0.92 0.00 0.00 0.90 0.00 0.00 9 T 8.68 4.52 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 1.21 0.00 0.00 10 G 8.69 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 11 A 8.45 4.17 1.34 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 0.00 0.00 0.00 12 T 7.72 4.38 4.26 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 1.31 0.00 0.00 13 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 14 G 8.49 3.69 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 0.00 0.00 0.00 15 M 8.13 4.12 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.63 0.00 16 G 8.07 3.67 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 0.00 0.00 0.00 17 I 7.99 3.68 2.02 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.92 0.90 0.00 0.00 18 E 8.06 4.11 0.00 2.09 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 2.50 2.49 0.00 19 I 8.06 3.72 1.98 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 1.41 1.09 0.89 0.00 0.00 20 V 8.27 3.55 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 1.01 0.00 0.00 0.94 0.00 0.00 21 K 7.72 3.84 0.00 1.93 1.88 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.70 7.81 22 D 7.98 4.48 0.00 2.83 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 23 L 8.12 4.16 0.00 1.71 1.61 0.81 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.00 4.32 0.00 4.11 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 25 R 7.23 4.16 0.00 2.04 2.09 0.00 3.11 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 26 D 7.83 4.88 0.00 2.66 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 27 H 8.51 5.23 0.00 3.17 3.27 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.62 4.30 1.93 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 1.08 0.57 0.82 0.00 0.00 29 V 8.49 4.60 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 0.95 0.00 0.00 1.00 0.00 0.00 30 Y 9.29 4.45 0.00 2.97 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 31 A 8.33 4.61 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.70 4.56 0.00 1.70 1.62 0.98 0.79 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 33 G 9.08 4.26 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 0.00 34 R 8.58 4.20 0.00 1.83 1.82 0.00 3.28 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 35 N 7.95 4.41 0.00 2.80 2.85 0.00 0.00 7.08 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 36 P 0.00 4.33 0.00 2.19 2.08 0.00 3.64 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 37 E 8.16 4.04 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 2.31 1.96 0.00 38 H 9.14 4.46 0.00 3.33 3.35 0.00 5.58 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.00 4.04 0.00 1.72 1.73 1.02 1.06 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 40 A 8.24 4.08 1.37 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 0.00 0.00 41 A 8.18 3.92 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 42 L 8.38 3.95 0.00 1.84 1.72 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.70 4.04 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 44 E 7.75 4.06 0.00 1.99 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 2.35 2.50 0.00 45 I 7.66 3.92 1.98 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 1.17 1.04 0.90 0.00 0.00 46 E 8.64 4.05 0.00 1.91 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 2.28 2.30 0.00 47 G 9.08 3.83 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 0.00 0.00 0.00 48 V 7.38 4.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.89 0.00 0.00 49 E 8.46 4.55 0.00 1.70 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 2.15 2.10 0.00 50 P 0.00 4.73 0.00 2.06 2.06 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 51 I 8.35 4.57 1.93 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 1.16 0.63 0.94 0.00 0.00 52 E 8.89 4.65 0.00 1.75 1.75 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 2.23 1.88 0.00 53 S 8.67 4.73 0.00 3.87 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 0.00 54 D 9.36 4.72 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.02 3.75 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 1.53 1.46 0.92 0.00 0.00 56 V 7.89 3.62 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 1.05 0.00 0.00 0.93 0.00 0.00 57 K 8.18 3.93 0.00 1.82 1.81 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.37 7.81 58 E 8.22 4.28 0.00 2.02 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 2.33 2.53 0.00 59 V 7.83 3.60 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 0.83 0.00 0.00 0.96 0.00 0.00 60 L 7.99 4.23 0.00 1.80 1.69 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.13 4.13 0.00 2.02 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 2.26 2.15 0.00 62 E 8.20 4.36 0.00 2.09 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 2.24 2.29 0.00 63 G 8.32 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 64 G 6.77 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 0.00 0.00 0.00 0.00 65 V 7.58 3.94 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 1.03 0.00 0.00 0.93 0.00 0.00 66 D 8.92 4.33 0.00 2.75 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 67 K 7.99 4.24 0.00 1.77 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.03 7.81 68 L 7.81 4.38 0.00 1.75 1.59 0.88 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.03 3.88 0.00 1.86 1.87 0.00 1.81 0.00 0.00 1.88 0.00 0.00 3.16 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.42 7.81 70 N 7.89 4.55 0.00 2.80 2.92 0.00 0.00 6.06 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 71 L 7.30 4.18 0.00 1.57 1.55 0.39 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.68 4.74 0.00 2.97 2.93 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 73 H 8.07 5.24 0.00 3.05 3.23 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.30 4.39 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 0.99 0.00 0.00 0.89 0.00 0.00 75 D 9.21 4.70 0.00 2.81 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 76 T 7.77 4.95 4.14 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 1.13 0.00 0.00 77 L 9.28 5.06 0.00 1.61 1.41 0.84 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.55 4.53 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 0.89 0.00 0.00 0.87 0.00 0.00 79 H 9.13 4.99 0.00 3.12 3.27 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 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4.35 0.00 3.27 3.38 0.00 5.62 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 99 A 8.01 4.02 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 0.00 100 H 8.34 4.14 0.00 3.26 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.30 4.05 0.00 1.96 1.81 1.17 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.44 4.36 0.00 2.86 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 0.00 103 L 7.68 4.00 0.00 1.70 1.76 0.92 0.83 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 0.00 104 N 8.66 4.69 0.00 2.82 2.83 0.00 0.00 6.75 8.34 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 0.00 105 V 7.42 4.18 2.27 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 1.01 0.00 0.00 0.92 0.00 0.00 106 I 7.94 3.74 1.88 0.00 0.00 0.89 0.00 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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 0.00 0.00 0.00 141 N 8.82 4.17 0.00 2.71 2.89 0.00 0.00 6.79 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 T 7.73 3.89 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 1.34 0.00 0.00 143 I 7.39 2.68 1.46 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.27 0.00 0.00 144 Y 7.73 3.82 0.00 2.92 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 0.00 145 A 8.35 4.06 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 4.06 1.64 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 0.00 147 S 8.22 4.18 0.00 4.04 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 0.00 148 K 8.10 4.22 0.00 1.63 1.69 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.18 7.81 149 H 8.28 4.07 0.00 3.37 3.35 0.00 5.88 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 0.00 150 A 8.14 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 L 7.89 3.68 0.00 1.75 1.75 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.81 3.89 0.00 1.86 1.97 0.00 3.18 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 153 G 8.41 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.43 3.85 0.00 1.65 1.63 0.81 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 155 A 7.84 3.84 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 0.00 156 D 8.17 4.36 0.00 2.77 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 0.00 157 A 8.14 4.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 F 8.79 4.23 0.00 3.15 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 0.00 159 R 8.24 3.72 0.00 1.92 2.13 0.00 3.34 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 160 K 7.71 4.03 0.00 1.94 1.83 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.30 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.58 7.81 161 E 8.09 4.04 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 162 E 7.45 4.40 0.00 1.43 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 1.71 1.54 0.00 163 A 7.50 3.98 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 0.00 164 N 8.00 4.56 0.00 2.69 2.85 0.00 0.00 6.83 8.00 0.00 0.00 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 N 7.95 4.71 0.00 2.72 2.76 0.00 0.00 6.77 7.63 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 0.00 166 G 8.09 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 0.00 0.00 0.00 0.00 167 I 7.04 4.66 1.73 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 1.22 0.58 0.95 0.00 0.00 168 R 8.58 4.63 0.00 1.77 1.81 0.00 3.04 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 169 V 8.13 4.96 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 1.17 0.00 0.00 1.03 0.00 0.00 170 S 9.45 5.13 0.00 4.10 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 0.00 171 T 9.01 5.29 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 1.32 0.00 0.00 172 V 8.84 4.56 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 1.00 0.00 0.00 0.98 0.00 0.00 173 S 8.88 4.93 0.00 3.92 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 0.00 174 P 0.00 5.29 0.00 1.98 2.06 0.00 3.67 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 175 G 8.40 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 *199 I 7.74 3.86 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 1.42 0.60 0.92 0.00 0.00 200 E 8.75 3.98 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 201 P 0.00 4.40 0.00 2.15 2.24 0.00 3.59 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 202 K 8.01 4.20 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.10 7.81 203 E 8.55 4.20 0.00 2.14 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 0.00 2.33 2.49 0.00 204 I 7.74 3.70 2.04 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 1.58 0.98 0.93 0.00 0.00 205 A 7.86 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 0.00 206 N 8.53 4.27 0.00 2.92 2.90 0.00 0.00 6.91 8.29 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 0.00 207 A 8.16 4.12 1.45 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 0.00 0.00 208 I 8.13 3.72 2.02 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 1.41 0.93 0.90 0.00 0.00 209 R 8.38 3.91 0.00 2.11 2.18 0.00 3.26 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 210 F 8.51 4.21 0.00 3.02 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 0.00 211 V 7.86 3.45 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 1.00 0.00 0.00 0.97 0.00 0.00 212 I 7.70 3.87 1.87 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 1.71 0.72 0.92 0.00 0.00 213 D 7.25 4.77 0.00 2.74 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 0.00 214 A 6.82 3.91 1.14 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 0.00 0.00 215 G 8.48 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 0.00 216 E 8.67 3.98 0.00 2.00 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 2.23 1.87 0.00 217 T 7.76 4.52 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 1.20 0.00 0.00 218 T 7.63 4.69 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 1.20 0.00 0.00 219 Q 8.48 4.50 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.95 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 220 I 8.09 4.20 1.77 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 1.17 0.17 1.05 0.00 0.00 221 T 8.43 4.45 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 1.22 0.00 0.00 222 N 7.96 5.48 0.00 2.72 2.70 0.00 0.00 6.66 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 0.00 223 V 8.69 4.48 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 1.04 0.00 0.00 1.10 0.00 0.00 224 D 8.82 5.23 0.00 2.61 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 0.00 225 V 8.53 4.55 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 0.99 0.00 0.00 0.95 0.00 0.00 226 R 8.37 4.99 0.00 1.66 1.76 0.00 3.32 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 227 P 0.00 4.40 0.00 2.04 1.97 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.