NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4977 8.1627 120.6075 55.3997 33.6495 173.6719 2 K 4.9218 8.5945 126.9928 54.2038 35.7691 173.7201 3 I 4.6596 9.5586 127.9015 59.5735 41.1610 173.9839 4 D 5.1021 8.8340 126.9837 54.1546 42.0225 175.8994 5 I 4.3183 8.2097 122.6703 60.2774 40.9054 176.3919 6 L 3.7565 8.4136 124.2855 56.0424 39.5952 174.9111 7 D 4.7854 9.1021 117.9288 55.9965 40.3268 178.0235 8 K 4.4738 8.2939 114.6076 55.4631 34.7590 176.1109 9 G 4.1448 7.9695 107.9721 45.6412 0.0000 172.3296 10 F 5.3562 7.9126 113.1923 56.3856 41.7967 173.2509 11 V 4.9530 8.9182 118.7931 61.3482 34.6532 173.5512 12 E 5.1528 9.6017 128.8292 54.2162 33.0418 174.1180 13 L 4.2891 8.7051 129.0946 54.8703 42.2181 176.2669 14 V 3.9239 8.4233 127.0440 64.9737 32.5599 175.0076 15 D 4.4926 7.4116 116.8435 53.8190 44.5663 174.2612 16 V 4.4820 7.9976 120.3916 61.5156 34.9596 173.0264 17 M 4.2655 9.2154 127.8130 55.2953 34.2787 176.3440 18 G 3.9799 10.3358 114.8674 45.2136 0.0000 169.7890 19 N 4.7181 8.2457 113.5517 51.2533 39.6517 174.0420 20 D 4.5113 8.8054 116.3347 58.3756 40.6761 178.7349 21 L 4.1704 8.3816 119.0609 57.4533 41.5690 179.6433 22 S 4.0750 8.2694 115.5543 61.3903 62.6815 176.4052 23 A 4.0903 7.9113 123.4546 54.7555 18.0676 179.9073 24 V 3.5095 7.6094 116.3773 66.2887 31.7844 178.3099 25 R 3.8768 8.2701 117.8790 59.1914 29.6654 178.9562 26 A 3.8493 7.6576 119.1153 55.0654 18.4303 179.2204 27 A 4.0269 7.8496 118.2325 55.0476 18.5718 179.3662 28 R 4.0685 7.9002 113.9885 55.4980 31.6407 176.4396 29 V 3.2758 7.5018 117.9874 63.1491 30.1740 172.4591 30 S 4.5472 7.5358 114.3734 58.6925 67.5244 172.6506 *31 F 3.5302 9.0625 127.8313 57.7318 34.8496 175.3878 *37 D 4.4180 9.0292 119.1407 54.9348 42.6542 172.1350 38 E 4.0328 8.9877 127.8760 60.0943 29.5508 178.4680 39 E 3.8090 8.0417 116.4010 59.5928 29.9098 179.2367 40 R 3.8746 8.3434 118.9506 58.9761 30.0957 178.8016 41 D 4.4191 8.2382 118.7091 57.5216 40.8718 179.0812 42 R 3.6493 7.3050 118.6702 59.2521 29.9091 178.5789 43 H 4.0728 8.0926 118.1700 59.0220 29.7080 177.1597 44 L 4.0316 7.8281 121.9594 58.0662 41.9605 178.9468 45 I 3.9651 7.7594 119.7801 64.7347 37.0576 178.3723 46 E 4.0415 8.4367 119.3496 59.1911 29.2274 178.8234 47 Y 3.7355 7.9877 119.7339 60.6299 38.9107 178.0361 48 L 4.1931 8.5084 120.2690 58.0492 41.6388 179.2822 49 M 4.1341 8.3303 118.2446 58.6547 32.0818 178.4894 50 K 3.9345 7.7601 117.6609 59.7499 32.7339 177.8289 51 H 4.6011 7.7059 114.6501 55.1531 28.9255 175.9626 52 G 3.8784 7.6487 108.9453 46.2839 0.0000 174.5783 53 H 4.6965 7.9797 118.5141 54.7376 27.3607 174.5151 54 E 4.6758 8.4908 125.3438 57.9134 30.6370 178.3648 55 T 4.2044 8.1691 111.0963 64.0007 68.3113 174.1943 56 P 4.2261 0.0000 0.0000 65.1229 31.0697 177.8311 57 F 4.5870 7.9693 114.9652 58.8443 38.9370 176.7177 58 E 4.3910 8.4465 118.7985 58.0902 29.1131 177.2889 59 H 4.7739 7.6783 115.3666 55.6330 29.1447 174.5049 60 I 4.6120 7.5408 122.0092 59.4564 39.5181 174.8607 61 V 4.7783 8.2699 126.1937 61.0435 35.0382 174.1655 62 F 5.1020 9.0783 124.6383 55.8519 43.1829 174.1993 63 T 4.8515 8.4546 117.4330 61.9402 71.6066 173.2323 64 F 5.2097 9.6056 125.1509 55.8125 42.9629 173.9848 65 H 5.0600 9.3269 121.3063 54.4723 32.1393 172.7303 66 V 4.4862 8.4005 126.0942 60.6034 34.6902 174.0512 67 K 4.5911 8.0561 128.1985 54.5602 34.1391 174.5062 68 A 5.4335 8.5239 128.1038 49.3434 23.1525 173.7364 69 P 4.2348 0.0000 0.0000 62.0608 32.2613 177.9558 70 I 3.4722 8.3120 122.7307 64.5869 37.0004 178.9547 71 F 4.3131 8.1046 115.1412 59.6456 37.5510 177.8181 72 V 3.4138 6.4589 118.2159 65.5891 31.4423 177.6357 73 A 3.8981 7.8307 120.6639 55.1257 17.8481 179.8013 74 R 3.6899 7.9200 116.2051 59.5058 30.2789 179.0227 75 Q 4.1544 7.7162 117.1974 58.4978 28.6849 178.4829 76 W 4.2601 8.4204 129.5179 60.5807 30.6556 177.7484 77 F 3.5844 8.6528 115.4920 58.9588 38.3089 177.0806 78 R 4.3705 7.7160 117.5224 57.4309 30.3027 176.4964 79 H 4.6668 8.0610 116.3411 54.8236 27.5338 175.3108 80 R 4.2214 8.5285 124.4299 58.6602 30.6357 178.2362 81 I 4.1376 7.5804 119.9603 58.1582 35.5354 173.4805 82 A 4.3124 7.0292 122.9861 51.6772 22.5131 176.0048 83 S 4.8691 8.3215 115.0358 57.1195 65.8580 173.6221 84 Y 5.6597 8.5507 119.9013 55.4148 42.0399 174.8810 85 N 5.0632 8.9481 118.4776 52.2170 42.7667 173.2215 86 E 5.3755 8.9104 123.9619 53.6741 33.1350 175.1445 87 L 4.3303 8.3330 122.4891 55.0725 42.4646 177.6328 88 S 4.3275 8.5457 116.0842 58.5232 64.7124 172.9459 89 G 4.6990 8.9101 122.9234 44.4631 0.0000 173.4597 90 R 4.3878 7.3405 119.6832 55.5130 32.0826 176.4628 91 Y 5.0087 7.8263 113.9757 58.4373 40.6027 175.6525 *92 S 4.6683 7.7787 116.5185 56.6119 66.4585 178.9193 *93 K 4.4554 8.4663 121.1301 55.4647 32.1068 177.3034 94 L 4.7062 8.1674 120.0286 53.1976 43.7787 175.9355 95 S 4.6566 7.9335 114.3847 56.6472 65.5401 173.4311 96 Y 4.3406 8.4350 120.8841 56.0483 39.1077 174.6544 97 E 4.9082 7.9304 123.1133 54.3320 34.1132 174.8706 98 F 5.4487 8.8711 119.2725 55.8591 43.1451 174.1764 99 Y 4.9896 9.0043 124.1864 56.8504 39.0044 175.0866 100 I 4.0703 8.5225 129.2273 58.5924 37.9870 174.3212 101 P 4.1092 0.0000 0.0000 62.6122 31.9577 176.4394 102 S 4.6489 8.3225 114.9167 56.6919 64.8585 173.3481 103 P 4.1967 0.0000 0.0000 66.0345 30.9901 178.7744 104 E 4.1975 8.1272 118.0445 58.6846 29.0923 179.0858 105 R 3.5009 7.7358 118.1359 58.6731 30.3669 177.5089 106 L 4.3485 7.7726 116.7810 53.6771 42.3865 176.3725 107 E 4.1512 7.6005 120.6068 57.8934 29.9404 177.5845 108 G 3.9466 9.0261 110.5458 45.2102 0.0000 173.0833 109 Y 4.5772 7.4336 116.6417 56.1696 39.6663 176.9969 110 K 4.3315 8.4524 125.7069 55.5292 30.9348 175.1174 111 T 4.3692 7.7480 112.3569 60.3638 70.2525 177.1079 112 T 4.0170 8.5788 115.2792 63.3527 69.0190 173.8057 113 I 4.3508 6.9992 122.3680 58.5103 38.8160 173.6143 114 P 4.1804 0.0000 0.0000 62.7188 31.7306 175.4067 115 P 4.1145 0.0000 0.0000 65.9266 30.6849 178.4899 116 E 4.0475 8.0891 116.8564 59.1362 29.4691 179.0421 117 R 4.0218 8.6601 118.5964 58.6000 30.1373 179.1959 118 V 3.5314 7.6233 117.9600 66.3325 31.6618 178.0169 119 T 3.8305 7.6683 115.1817 66.5095 68.1417 176.2825 120 E 3.9226 7.7979 120.8042 59.1453 29.6901 178.9725 121 K 3.9941 8.2011 118.6638 59.3581 32.0748 179.5014 122 I 3.6396 7.7156 120.1685 64.4248 37.0793 178.3759 123 S 4.0373 7.9574 114.0033 61.1494 62.1444 175.7285 124 E 3.8775 8.4164 122.3760 59.5192 29.4581 178.9341 125 I 3.6749 7.8064 119.7622 64.1786 37.0216 178.5305 126 V 3.2465 7.7113 119.0819 65.9681 31.2296 177.5569 127 D 4.2916 7.9938 117.5567 57.3438 41.0571 178.4004 128 K 3.9530 8.0936 118.7609 59.2856 31.9587 179.2773 129 A 3.9812 8.4408 121.4688 55.3167 18.3269 178.9581 130 Y 4.2531 8.2211 118.3714 61.1687 38.7746 178.6864 131 R 3.7488 8.3143 119.0145 59.3584 30.0887 179.2095 132 T 3.8144 7.9599 115.7180 66.5714 68.4369 175.8488 133 Y 4.1311 8.2078 121.6147 60.9206 38.7738 178.3248 134 L 3.5052 7.7213 119.6671 57.6112 41.5096 179.1452 135 E 3.8179 8.2649 119.4267 59.1364 29.5327 178.9973 136 L 3.9065 7.8995 118.9886 57.8081 41.7394 179.4218 137 I 3.8120 7.2972 120.9993 63.9306 36.7905 178.4386 138 E 3.9555 7.9744 118.0041 59.0822 29.3125 178.8948 139 S 4.3955 7.4333 113.5593 58.9489 63.1358 174.9706 140 G 4.0218 7.7287 110.0481 45.0151 0.0000 173.6826 141 V 3.8079 7.9585 121.0657 61.0626 32.2059 173.9473 142 P 4.5077 0.0000 0.0000 63.1096 32.8852 177.4235 143 R 4.0366 8.6745 119.3489 59.6112 29.8896 179.1143 144 E 3.9826 8.2816 115.6902 58.6824 29.7328 178.6279 145 V 3.9918 7.5489 118.2890 65.2053 32.1797 177.3887 146 A 4.1328 8.2330 120.9171 55.2037 18.2134 179.6270 147 R 4.0504 8.7163 114.7354 58.7727 29.2475 178.6662 148 I 3.9148 7.6486 113.0420 63.0699 37.6128 177.4828 149 V 4.0175 7.3978 113.0630 61.1851 32.2073 176.2968 150 L 4.3165 7.2852 119.7884 53.7180 42.3502 175.2700 151 P 4.6308 0.0000 0.0000 62.2596 32.5102 177.1026 152 L 4.3081 8.5357 119.1076 57.1295 42.4368 177.9880 153 N 5.1020 8.4044 115.8051 52.8423 38.8813 174.6310 154 L 4.1229 8.0946 123.5874 55.6097 43.1972 175.7444 155 Y 4.5503 8.5382 124.5432 58.1514 38.9559 174.5223 156 T 4.7497 8.9981 117.1016 60.4667 72.0847 172.2504 157 R 5.2926 8.2854 120.6516 54.6933 34.8021 174.4292 158 F 5.5379 8.6527 115.2125 56.1935 42.0785 172.7480 159 F 5.3686 9.7254 119.4140 56.0194 41.4005 174.9391 160 W 5.4001 9.4330 132.6024 56.1539 33.7757 173.6699 161 T 5.0183 8.6189 124.7217 61.6813 70.4807 174.0249 162 V 4.5009 8.2543 125.2165 60.0491 35.1093 174.3578 163 N 5.0672 8.5715 120.0789 51.7467 38.9093 175.8086 164 A 3.8385 8.8644 121.0981 55.1730 18.3888 180.2213 165 R 3.7949 8.0369 116.8175 59.7840 30.3176 178.6208 166 S 4.1785 8.7895 113.3879 61.0813 62.2587 175.7968 167 L 3.8560 7.9977 123.4815 58.4065 41.7373 178.9507 168 M 3.5543 7.8822 118.6404 58.0316 31.7609 178.3026 169 N 4.4177 8.0279 117.0957 56.4290 39.1230 176.6940 170 F 4.0641 8.4403 122.2693 61.4184 39.4399 177.1694 171 L 4.0582 8.3828 118.7020 57.8634 41.1982 179.1333 172 N 4.4790 8.4800 115.7496 56.2183 38.5447 176.7624 173 L 4.2426 7.6129 118.4315 56.7373 42.3407 178.5962 174 R 4.0362 8.0677 117.2266 56.4858 31.2860 176.8110 175 A 4.5978 7.7773 124.7484 50.2323 17.9107 175.7146 176 D 5.0837 7.2395 121.5119 51.8464 44.9750 176.1051 177 S 4.3106 9.1129 119.7676 61.3391 63.0611 175.4155 178 H 4.2982 8.3002 117.0522 57.7130 28.7785 175.7509 179 A 4.2720 7.6523 121.8335 51.1145 19.1563 177.4791 180 Q 4.1742 8.4710 120.5340 55.7237 30.8929 176.9008 181 W 4.3125 9.1625 135.0000 61.0570 30.6177 177.8937 182 E 3.7285 8.5823 117.6126 59.5950 28.9333 179.0655 183 I 3.9483 7.7181 117.5614 63.5010 38.0435 177.6093 184 Q 4.1501 7.6637 120.7191 58.3846 28.5650 178.6996 185 Q 3.6545 7.3776 118.7589 59.1225 28.7920 178.6369 186 Y 3.8545 7.5388 115.9896 60.9380 37.8651 178.3697 187 A 4.1374 8.2912 122.0925 55.1413 18.3875 179.7122 188 L 3.9318 8.0472 117.5235 57.8370 41.7898 179.5924 189 A 3.9999 7.7862 120.3146 55.1657 18.3187 179.7264 190 I 3.6186 8.1753 118.4707 64.4464 37.0609 178.5206 191 A 4.1817 8.3016 121.7651 55.1195 18.2176 179.6602 192 R 3.6326 7.9517 117.2111 59.6028 30.1615 178.9109 193 I 3.7642 7.7061 119.2294 64.2094 37.0655 178.1282 194 F 4.2306 8.3014 121.5966 61.2910 38.9814 177.1042 195 K 3.3627 7.5637 118.2566 59.2938 31.8678 178.3448 196 E 4.0268 7.8893 118.0612 58.9427 29.4154 178.7828 197 K 4.3373 7.9482 117.2481 57.3177 34.1245 177.0129 198 C 4.9585 8.2525 116.4801 56.3620 28.8350 172.5115 199 P 4.3290 0.0000 0.0000 65.8577 31.2806 178.7734 200 W 4.4344 8.2889 118.2951 59.8272 29.0201 178.5495 201 T 4.0733 8.6838 115.8922 66.5548 67.9028 176.5516 202 F 4.0270 8.3189 122.9170 61.1898 39.3672 176.7523 203 E 3.8406 8.6350 118.8082 59.3285 29.4702 178.5969 204 A 4.2187 8.2648 120.8051 55.0564 18.4286 179.2639 205 F 4.2786 8.5880 119.4898 61.6778 39.3012 177.3213 206 L 3.5722 7.4216 117.0206 57.6302 41.4142 179.4976 207 K 3.7843 7.8197 117.3625 58.7857 31.9559 177.5994 208 Y 4.6090 8.0335 113.8790 57.7138 40.3486 176.2685 209 A 4.5749 7.8764 120.1752 52.5735 21.1826 176.2303 210 Y 3.8708 7.5835 117.5385 58.1472 38.7990 176.1697 211 K 4.0062 8.6799 126.2605 56.6675 33.3009 177.2029 212 G 3.8359 5.8324 107.0508 44.1503 0.0000 171.6314 213 D 4.7550 8.0541 112.8018 54.4945 41.3292 178.1902 214 I 3.7909 7.9799 113.8252 63.7717 36.9864 177.6194 215 L 4.1944 8.3116 119.0552 56.3691 41.4985 178.2862 216 K 4.3619 8.1269 116.9244 56.7246 32.5105 176.6957 217 E 4.5002 8.0224 118.1091 56.3327 31.5649 176.2055 218 V 3.9769 7.7561 121.9124 62.8175 31.6613 175.0287 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 8.16 4.50 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 2 K 8.59 4.92 0.00 1.71 1.51 0.00 1.56 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.23 1.40 7.81 3 I 9.56 4.66 1.90 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 1.24 0.58 0.89 0.00 0.00 4 D 8.83 5.10 0.00 2.58 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.21 4.32 1.12 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.86 0.02 0.00 0.00 6 L 8.41 3.76 0.00 1.99 1.81 0.53 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.10 4.79 0.00 2.97 3.13 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 8 K 8.29 4.47 0.00 0.86 1.55 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.44 7.81 9 G 7.97 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 0.00 0.00 0.00 0.00 10 F 7.91 5.36 0.00 3.07 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 11 V 8.92 4.95 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 1.23 0.00 0.00 1.22 0.00 0.00 12 E 9.60 5.15 0.00 1.94 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 2.32 0.00 13 L 8.71 4.29 0.00 1.64 1.51 0.60 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.42 3.92 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 0.69 0.00 0.00 0.42 0.00 0.00 15 D 7.41 4.49 0.00 2.62 2.31 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 16 V 8.00 4.48 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 0.06 0.00 0.00 0.81 0.00 0.00 17 M 9.22 4.27 0.00 1.91 1.75 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 18 G 10.34 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 19 N 8.25 4.72 0.00 2.78 2.81 0.00 0.00 7.42 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 20 D 8.81 4.51 0.00 2.43 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.38 4.17 0.00 1.81 1.72 0.90 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.27 4.07 0.00 3.97 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 23 A 7.91 4.09 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 24 V 7.61 3.51 2.31 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 1.10 0.00 0.00 1.13 0.00 0.00 25 R 8.27 3.88 0.00 1.83 2.07 0.00 3.16 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 26 A 7.66 3.85 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 27 A 7.85 4.03 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 28 R 7.90 4.07 0.00 1.78 1.96 0.00 3.31 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 29 V 7.50 3.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 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 K 8.45 4.33 0.00 1.76 1.78 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.40 7.81 111 T 7.75 4.37 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 1.22 0.00 0.00 112 T 8.58 4.02 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 0.00 113 I 7.00 4.35 1.85 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 1.28 0.63 0.89 0.00 0.00 114 P 0.00 4.18 0.00 2.16 2.01 0.00 3.61 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 115 P 0.00 4.11 0.00 2.13 2.25 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 116 E 8.09 4.05 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 2.39 2.38 0.00 117 R 8.66 4.02 0.00 1.94 1.95 0.00 3.27 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 118 V 7.62 3.53 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 0.96 0.00 0.00 119 T 7.67 3.83 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 120 E 7.80 3.92 0.00 2.21 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 2.29 2.37 0.00 121 K 8.20 3.99 0.00 1.93 1.81 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.69 7.81 122 I 7.72 3.64 1.93 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 1.34 1.06 0.83 0.00 0.00 123 S 7.96 4.04 0.00 3.94 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 0.00 124 E 8.42 3.88 0.00 2.12 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 2.28 2.34 0.00 125 I 7.81 3.67 1.82 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 1.37 0.60 0.87 0.00 0.00 126 V 7.71 3.25 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 -0.04 0.00 0.00 0.82 0.00 0.00 127 D 7.99 4.29 0.00 2.83 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 0.00 128 K 8.09 3.95 0.00 1.98 1.83 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.59 7.81 129 A 8.44 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 0.00 130 Y 8.22 4.25 0.00 2.96 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 0.00 131 R 8.31 3.75 0.00 1.88 1.92 0.00 3.18 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.93 0.00 132 T 7.96 3.81 4.45 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 1.22 0.00 0.00 133 Y 8.21 4.13 0.00 3.05 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 0.00 134 L 7.72 3.51 0.00 1.60 1.58 0.45 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.26 3.82 0.00 2.05 2.06 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 2.25 2.30 0.00 136 L 7.90 3.91 0.00 1.77 1.63 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 137 I 7.30 3.81 1.57 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 1.10 0.83 0.77 0.00 0.00 138 E 7.97 3.96 0.00 1.98 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 2.26 2.40 0.00 139 S 7.43 4.40 0.00 3.89 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 0.00 140 G 7.73 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 0.00 141 V 7.96 3.81 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 0.99 0.00 0.00 0.90 0.00 0.00 142 P 0.00 4.51 0.00 2.31 2.18 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 143 R 8.67 4.04 0.00 1.96 2.21 0.00 3.21 0.00 0.00 3.55 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 144 E 8.28 3.98 0.00 2.14 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 2.30 2.39 0.00 145 V 7.55 3.99 2.24 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 1.08 0.00 0.00 0.95 0.00 0.00 146 A 8.23 4.13 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 0.00 147 R 8.72 4.05 0.00 2.06 2.47 0.00 2.92 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.69 0.00 148 I 7.65 3.91 1.90 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 1.84 0.64 0.98 0.00 0.00 149 V 7.40 4.02 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 0.83 0.00 0.00 1.14 0.00 0.00 150 L 7.29 4.32 0.00 1.80 1.77 0.63 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 4.63 0.00 2.45 2.20 0.00 3.99 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 1.93 0.00 152 L 8.54 4.31 0.00 1.69 1.94 0.93 0.57 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 0.00 153 N 8.40 5.10 0.00 3.22 3.30 0.00 0.00 5.91 6.67 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 0.00 154 L 8.09 4.12 0.00 1.93 1.61 0.33 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 8.54 4.55 0.00 2.81 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 0.00 156 T 9.00 4.75 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 1.18 0.00 0.00 157 R 8.29 5.29 0.00 1.80 1.82 0.00 3.33 0.00 0.00 3.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.55 0.00 158 F 8.65 5.54 0.00 3.46 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 0.00 159 F 9.73 5.37 0.00 2.99 3.10 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 0.00 160 W 9.43 5.40 0.00 3.28 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 0.00 161 T 8.62 5.02 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 1.14 0.00 0.00 162 V 8.25 4.50 0.67 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 -0.49 0.00 0.00 0.60 0.00 0.00 163 N 8.57 5.07 0.00 3.18 2.94 0.00 0.00 6.06 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 0.00 164 A 8.86 3.84 1.68 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 0.00 0.00 165 R 8.04 3.79 0.00 2.02 2.17 0.00 3.47 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 166 S 8.79 4.18 0.00 3.92 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 0.00 167 L 8.00 3.86 0.00 1.53 1.34 0.22 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 168 M 7.88 3.55 0.00 1.35 1.91 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.47 0.00 169 N 8.03 4.42 0.00 2.95 3.10 0.00 0.00 6.75 7.02 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 0.00 170 F 8.44 4.06 0.00 3.20 3.22 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 0.00 171 L 8.38 4.06 0.00 2.16 1.98 1.14 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 172 N 8.48 4.48 0.00 3.01 2.95 0.00 0.00 7.04 7.37 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 0.00 173 L 7.61 4.24 0.00 1.56 1.66 0.99 0.94 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 0.00 174 R 8.07 4.04 0.00 0.74 1.32 0.00 2.97 0.00 0.00 2.93 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.50 0.00 175 A 7.78 4.60 1.41 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 0.00 0.00 176 D 7.24 5.08 0.00 2.68 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 0.00 177 S 9.11 4.31 0.00 4.03 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 H 8.30 4.30 0.00 3.27 3.42 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 A 7.65 4.27 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 0.00 180 Q 8.47 4.17 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.81 2.55 0.00 181 W 9.16 4.31 0.00 3.53 3.39 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 0.00 182 E 8.58 3.73 0.00 2.33 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 2.60 2.54 0.00 183 I 7.72 3.95 1.80 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.39 0.81 0.00 0.00 184 Q 7.66 4.15 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 185 Q 7.38 3.65 0.00 1.73 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 186 Y 7.54 3.85 0.00 3.15 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 0.00 187 A 8.29 4.14 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 0.00 188 L 8.05 3.93 0.00 1.81 1.70 0.87 0.92 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 0.00 189 A 7.79 4.00 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 0.00 190 I 8.18 3.62 2.10 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.85 0.74 0.00 0.00 191 A 8.30 4.18 1.55 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 0.00 0.00 192 R 7.95 3.63 0.00 2.03 2.07 0.00 3.03 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 193 I 7.71 3.76 2.24 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.72 1.03 0.00 0.00 194 F 8.30 4.23 0.00 2.89 3.13 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 0.00 195 K 7.56 3.36 0.00 0.79 1.39 0.00 1.61 0.00 0.00 1.48 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.23 1.27 7.81 196 E 7.89 4.03 0.00 2.13 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 2.44 2.46 0.00 197 K 7.95 4.34 0.00 2.10 1.96 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.68 1.80 7.81 198 C 8.25 4.96 0.00 2.72 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 P 0.00 4.33 0.00 2.37 2.31 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 200 W 8.29 4.43 0.00 3.72 3.25 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 0.00 201 T 8.68 4.07 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 1.25 0.00 0.00 202 F 8.32 4.03 0.00 2.58 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 0.00 203 E 8.63 3.84 0.00 2.26 2.24 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 2.34 2.34 0.00 204 A 8.26 4.22 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 F 8.59 4.28 0.00 3.10 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 0.00 206 L 7.42 3.57 0.00 1.49 1.45 0.61 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 207 K 7.82 3.78 0.00 1.33 0.74 0.00 1.73 0.00 0.00 1.50 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.22 1.48 7.81 208 Y 8.03 4.61 0.00 2.90 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 0.00 209 A 7.88 4.57 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 0.00 210 Y 7.58 3.87 0.00 1.43 2.35 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 0.00 211 K 8.68 4.01 0.00 1.60 1.66 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.46 7.81 212 G 5.83 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 0.00 213 D 8.05 4.76 0.00 2.94 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 0.00 214 I 7.98 3.79 1.94 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 1.89 0.69 1.03 0.00 0.00 215 L 8.31 4.19 0.00 0.91 1.47 0.58 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 216 K 8.13 4.36 0.00 1.94 1.87 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.68 7.81 217 E 8.02 4.50 0.00 2.00 2.00 0.00 0.00 0.00 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 2.45 0.00 218 V 7.76 3.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.03 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.