NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5059 8.1627 120.6089 55.3874 33.8008 173.7625 2 K 4.9474 8.6051 126.5350 54.3126 35.9019 173.7192 3 I 4.6210 9.4931 127.9470 59.4535 41.1576 174.0740 4 D 5.0518 8.8709 127.4975 54.3867 41.6868 175.9321 5 I 4.2503 8.3346 123.1246 60.4905 40.8404 176.7176 6 L 3.8144 8.3362 124.8049 55.5880 40.3000 174.2794 7 D 4.6926 9.0613 116.9222 56.8174 40.0041 178.0643 8 K 4.4616 8.2045 114.1291 55.9107 35.1443 175.9957 9 G 4.1505 8.0487 108.6588 45.5871 0.0000 172.4676 10 F 5.3732 8.2525 113.0751 56.3264 41.8192 173.4122 11 V 5.1122 8.7762 119.2319 61.3620 34.4737 173.7965 12 E 5.1704 9.2414 125.7234 54.2642 33.0659 174.6556 13 L 4.1917 8.6541 125.1078 55.3349 42.1424 176.2809 14 V 3.9744 8.5078 127.0707 64.8603 32.6452 174.9897 15 D 4.5909 7.4430 117.1627 53.6587 44.7293 173.8213 16 V 4.5692 7.8973 120.1455 61.4967 34.9204 172.9667 17 M 4.3221 8.9518 127.2281 54.9080 34.5225 176.5783 18 G 4.6126 10.1828 114.8125 46.1140 0.0000 170.4355 19 N 4.6717 7.8064 113.6612 51.2900 39.0055 174.5170 20 D 4.5535 8.8248 115.1814 58.1420 40.9013 178.4052 21 L 4.1728 8.7415 119.6417 57.4843 41.5602 179.5958 22 S 4.1505 8.1372 115.5032 61.4246 62.7221 176.5197 23 A 4.2459 7.8772 124.3624 54.4110 18.1018 179.5796 24 V 3.4948 7.5507 116.8733 66.2029 31.6695 178.1490 25 R 3.8487 8.4025 118.5132 59.5007 29.6933 178.3254 26 A 3.8707 7.6843 119.0041 55.0416 18.3960 179.2164 27 A 4.0173 7.8857 118.4018 54.6737 18.5035 179.1572 28 R 4.1855 7.6075 114.5691 55.1783 31.2271 176.3617 29 V 3.2734 7.5408 117.4283 63.7510 30.3689 172.3003 30 S 4.5588 7.8800 113.5594 58.1861 66.9627 171.7300 *31 F 3.6535 9.0305 127.1782 56.8961 34.2597 174.5726 *37 D 4.4339 8.9479 125.2315 54.6039 41.6173 172.8293 38 E 4.0187 8.6051 126.2356 59.5382 29.8031 178.8562 39 E 3.7366 8.1383 117.7066 59.5139 29.1234 179.5591 40 R 3.9228 8.6789 118.4825 59.0465 29.9955 178.8928 41 D 4.3675 8.1387 118.8750 57.1135 41.0157 178.5387 42 R 3.3738 8.3441 120.3580 59.7524 29.9035 178.0439 43 H 4.1410 7.9961 117.4598 58.9725 29.7772 177.0585 44 L 4.0345 7.6448 121.8320 58.1428 41.9632 178.8255 45 I 3.9506 8.0667 119.9927 64.7643 37.0952 178.3259 46 E 4.0482 8.3521 119.3242 59.2276 29.0851 178.7001 47 Y 3.8006 8.3084 120.0671 60.7705 38.9392 178.1215 48 L 4.1458 8.7935 120.1863 58.1868 41.9017 179.3419 49 M 4.1759 8.3127 118.4192 58.4036 32.0127 178.2704 50 K 4.0964 7.6747 117.7148 59.0581 32.9292 177.8445 51 H 4.7112 7.3904 115.5725 54.8577 28.9109 175.5973 52 G 3.8448 7.4646 107.4042 46.2897 0.0000 174.5893 53 H 4.6206 7.9938 117.9174 54.8961 27.4938 174.7910 54 E 4.9778 8.5026 123.5501 56.9391 30.8994 178.5808 55 T 4.2239 8.0545 111.5561 63.9236 68.3539 174.2936 56 P 4.2666 0.0000 0.0000 65.1026 31.1050 177.7618 57 F 4.6145 7.6888 114.0588 58.7706 39.1408 176.8594 58 E 4.2524 8.3566 119.0298 58.6432 29.0368 177.4881 59 H 4.7489 7.9444 114.5888 55.7820 28.9317 174.3371 60 I 4.7030 7.5579 120.5356 59.5045 39.8961 174.8661 61 V 4.9007 8.2353 125.5945 61.1478 35.3155 174.1125 62 F 5.0531 9.0308 123.8629 55.8707 43.4694 174.1857 63 T 4.8877 8.2570 116.4173 62.0452 71.7804 173.3888 64 F 5.1774 9.6246 125.9244 55.8798 42.8596 174.4006 65 H 4.8277 9.1087 121.0103 54.6135 31.9473 172.5279 66 V 4.5912 8.3072 126.6555 60.6557 34.2484 174.2659 67 K 4.5033 8.3991 128.8633 54.6458 33.8387 174.4560 68 A 5.3892 8.8212 128.6107 49.1240 23.3729 173.5488 69 P 4.1889 0.0000 0.0000 62.0310 32.2922 177.9971 70 I 3.4812 8.2314 123.3165 64.6071 36.0736 178.9045 71 F 4.4993 8.1304 114.9040 59.4699 37.5310 177.6518 72 V 3.6317 6.5302 118.3906 65.2747 31.4380 177.5611 73 A 3.8244 7.6437 120.5950 55.1963 17.9208 179.7891 74 R 3.7888 8.0075 115.8073 59.3209 30.2165 179.0278 75 Q 4.1484 7.5762 118.3129 58.3795 28.9092 178.1853 76 W 4.2812 8.3852 129.6492 60.6342 30.6443 177.8069 77 F 3.6480 8.7626 115.5977 59.1513 38.3077 177.0027 78 R 4.3778 7.6960 116.9881 57.0585 30.1496 176.3033 79 H 4.7306 7.9405 116.6138 54.8057 27.8239 175.3445 80 R 4.2655 8.5408 124.3241 58.3267 30.9776 177.9476 81 I 4.1531 7.7381 120.3385 59.0601 35.8367 172.9353 82 A 4.5202 7.1497 121.0887 51.7146 23.0351 176.7342 83 S 4.8850 8.5128 114.0503 57.2485 66.2354 173.7017 84 Y 5.5048 8.4537 119.2570 55.6838 42.3324 175.0263 85 N 4.9107 8.9489 119.2089 52.6175 42.3495 173.1340 86 E 5.3940 8.8416 124.6358 53.9157 32.5656 175.4012 87 L 4.1646 8.3347 123.7195 54.9745 42.8165 177.5296 88 S 4.4558 8.7935 117.9953 56.7938 61.7673 174.8098 89 G 3.7078 8.6124 118.3832 48.0931 0.0000 173.2954 90 R 4.2188 7.7731 114.2448 57.3072 30.2205 175.8338 91 Y 5.2803 7.3435 116.9821 57.0931 38.8537 175.7648 92 S 4.7271 7.9796 110.8800 57.3908 65.0634 176.4809 93 K 4.0263 9.0784 125.9744 56.6216 32.1937 176.1371 94 L 4.2656 8.7641 127.5706 54.5138 42.1535 177.4271 95 S 4.5183 8.4352 117.6241 58.3029 64.4272 174.0831 96 Y 4.2262 8.3815 123.6956 57.0738 37.1162 175.3734 97 E 4.5436 7.2895 120.5190 54.6291 32.6405 176.5982 98 F 5.2413 8.6298 122.4359 55.5557 43.1604 174.3176 99 Y 5.1899 8.9078 124.2268 56.7287 39.1201 175.0747 100 I 4.0098 8.3105 128.6419 58.6140 37.8403 174.1128 101 P 4.0659 0.0000 0.0000 62.6386 31.9326 176.1918 102 S 4.7380 8.2221 113.9322 56.4136 65.0599 173.5582 103 P 4.2367 0.0000 0.0000 65.6138 30.8641 178.2769 104 E 4.1530 7.7524 115.4420 57.9288 29.1070 178.6344 105 R 3.6466 7.9708 119.0847 58.1584 30.3908 177.1144 106 L 4.4272 7.6383 117.1765 53.3884 42.0612 175.8842 107 E 4.0080 7.0982 120.9239 57.8715 29.9440 175.2624 108 G 3.9952 9.1294 113.6774 45.6872 0.0000 173.2180 109 Y 4.2790 7.8501 117.1764 56.3380 38.9135 175.4514 110 K 4.3379 8.6213 124.9724 55.4268 30.7072 176.0414 111 T 4.6459 7.9728 114.2665 59.7173 70.9919 175.9910 112 T 4.0820 8.5617 119.7733 65.7696 68.7092 174.5802 113 I 4.6172 6.7844 110.5634 57.6241 40.4167 173.5229 114 P 4.2600 0.0000 0.0000 62.5606 31.9682 175.4910 115 P 4.0943 0.0000 0.0000 66.1744 31.1155 178.5065 116 E 4.0687 8.1301 115.9107 58.6399 29.2723 179.0028 117 R 3.9478 8.8337 120.6611 58.9716 30.1940 178.4133 118 V 3.5300 7.5688 117.6889 66.2719 31.4548 177.9057 119 T 3.8049 7.9522 115.4999 66.4894 68.2094 176.2654 120 E 3.9187 7.8085 121.2406 59.2897 29.8513 178.9690 121 K 3.9655 8.2345 118.7272 59.4933 32.0285 179.4459 122 I 3.6893 7.7135 120.1229 64.4610 36.9545 178.6392 123 S 4.0663 7.7810 116.1736 61.3053 62.5097 176.2568 124 E 3.8900 8.1134 122.0208 59.3992 29.3904 178.8757 125 I 3.6355 7.4811 119.1234 64.3761 37.2247 178.2625 126 V 3.2676 7.5273 118.9055 66.1674 31.1931 177.7179 127 D 4.4094 8.1531 118.1868 57.3904 40.6843 178.8958 128 K 3.9144 8.3120 118.8652 59.4142 32.0524 179.0130 129 A 4.0154 8.5657 121.1746 55.5989 18.3159 178.9477 130 Y 4.2643 8.5714 118.0664 61.0689 38.8588 178.6958 131 R 3.8262 8.6433 119.3000 59.5814 30.1569 179.0856 132 T 3.9220 8.3437 115.9671 66.7618 68.3041 175.7476 133 Y 4.1080 8.1550 121.4308 60.8656 38.7898 178.0853 134 L 3.5503 7.9156 119.6733 57.6972 41.8287 179.2662 135 E 3.8327 8.5991 119.3649 59.2058 29.5538 178.9416 136 L 3.9303 8.0951 119.3220 57.7797 41.6160 179.5031 137 I 3.7862 7.5504 121.2845 63.9713 36.8171 178.2538 138 E 3.8944 7.9506 117.9851 59.6481 29.3520 179.4126 139 S 4.3107 7.6974 113.2600 59.6285 62.9067 175.2232 140 G 4.0151 7.9342 109.8771 44.9871 0.0000 173.5455 141 V 3.8158 7.9293 121.2407 61.0353 32.2246 173.9179 142 P 4.4434 0.0000 0.0000 63.0632 32.9206 177.1555 143 R 3.9975 8.7102 119.6379 59.7549 29.9160 179.0205 144 E 3.9773 8.2786 115.0605 58.8094 29.5712 178.4254 145 V 4.0305 7.4992 117.9411 64.9038 32.3264 177.3371 146 A 4.1219 8.0370 120.7394 55.0879 18.2949 179.3703 147 R 4.1794 8.4206 113.7638 58.0570 29.3332 178.2450 148 I 3.9894 7.6410 113.2085 62.7011 37.7216 177.1427 149 V 4.1875 7.3082 113.1805 60.4059 32.2596 175.6332 150 L 4.4192 7.3727 120.2596 53.3021 42.6195 175.2469 151 P 4.5983 0.0000 0.0000 62.3581 32.3806 177.0542 152 L 4.3389 8.4587 118.5913 57.0988 42.3457 178.1221 153 N 5.0524 8.4263 115.5939 53.0029 38.9543 174.7740 154 L 3.8164 7.8564 123.3278 55.6260 43.1211 175.7605 155 Y 4.5947 8.8106 125.1115 58.1724 38.7819 174.6928 156 T 4.7967 9.2364 116.8137 60.5486 72.0024 172.4576 157 R 5.3119 8.3609 122.1126 54.6786 34.7162 174.3239 158 F 5.5315 8.6530 115.2851 56.2574 41.8947 172.6424 159 F 5.2819 9.4546 119.0473 55.9405 41.2013 174.8600 160 W 5.2978 9.6163 133.1763 56.0947 33.6037 173.7496 161 T 5.4477 8.4924 124.3018 60.9954 70.4301 174.1109 162 V 4.4951 7.5764 124.5627 60.0829 34.9952 174.0035 163 N 5.0661 8.5749 119.7126 51.7886 39.0039 175.7355 164 A 3.8557 8.9452 121.5673 55.4816 18.4626 180.1530 165 R 3.7933 8.0974 116.4133 59.7763 30.2850 178.5551 166 S 4.1571 9.0809 113.2180 61.2179 62.3539 175.7984 167 L 3.8856 8.1562 123.5488 58.3887 41.8582 178.9358 168 M 3.6843 7.9699 118.5917 57.7584 31.5523 178.3335 169 N 4.4087 7.9974 117.4400 56.4294 39.1725 176.4964 170 F 4.0529 8.3127 122.1172 61.5971 39.4719 177.2327 171 L 4.1441 8.2970 118.3193 57.8003 41.1662 179.2661 172 N 4.4113 8.2263 115.7019 55.8948 38.5247 176.4447 173 L 4.2137 7.4648 120.4502 57.0204 42.6479 178.1322 174 R 3.9665 8.1763 117.3298 56.7513 31.0338 176.8182 175 A 4.5765 7.7347 124.3947 50.4509 18.0883 175.9184 176 D 5.1157 7.2278 121.4170 52.0206 44.9662 176.0698 177 S 4.4372 9.1209 120.1947 61.2651 63.0959 175.3887 178 H 4.3041 8.2118 117.4138 57.7980 28.7353 175.7453 179 A 4.2655 7.5745 121.8204 51.1475 19.1314 177.4624 180 Q 4.1931 8.4281 120.4204 55.5852 30.9217 176.7417 181 W 4.2949 9.1204 135.0000 60.9674 30.3489 177.8024 182 E 3.6527 8.6779 117.6370 59.7245 28.9051 179.2997 183 I 3.8452 7.7090 117.6683 63.8180 38.0498 177.5230 184 Q 4.1108 7.6980 120.5959 58.3245 28.4962 178.8955 185 Q 3.6654 7.4436 118.7395 59.2135 28.6346 178.7229 186 Y 3.8756 7.5509 116.0005 60.8744 37.8821 178.4341 187 A 4.1451 8.1617 122.0577 55.1532 18.3582 179.7049 188 L 3.9905 8.0771 117.3490 57.7253 41.6652 179.5732 189 A 3.9540 7.7866 120.2914 55.2442 18.3740 179.6920 190 I 3.4826 8.1127 118.4349 64.4145 37.0982 178.3918 191 A 4.2066 8.5705 121.9195 55.2398 18.2083 179.6509 192 R 3.6184 8.1588 117.1068 59.6988 30.3422 178.7667 193 I 3.7695 7.7983 119.5869 64.3742 37.0213 178.2115 194 F 4.3949 8.3816 121.5104 61.2459 39.1184 177.0914 195 K 3.2616 7.8287 119.3733 59.1930 31.5574 178.6468 196 E 3.9796 7.8027 118.0750 59.3173 29.4637 179.0752 197 K 4.2429 7.8393 116.8178 57.9052 33.8642 177.2911 198 C 4.9700 8.0808 116.0038 56.3476 28.8129 172.4122 199 P 4.3860 0.0000 0.0000 65.1398 31.2905 178.5457 200 W 4.5301 8.2706 118.5113 59.9399 29.0649 178.5581 201 T 4.1136 8.9649 115.9447 66.4045 67.8405 176.7269 202 F 4.0232 8.3406 122.9525 61.1872 39.5503 176.8289 203 E 3.9583 8.8299 118.5007 59.6973 29.3034 179.3889 204 A 4.2184 8.0576 120.2400 55.0260 18.4414 179.3793 205 F 4.2647 8.1330 119.1605 61.6372 39.2860 177.3121 206 L 3.5661 7.2865 116.9550 57.6376 41.3966 179.4939 207 K 3.7940 7.4957 116.8861 58.6246 32.0454 177.5603 208 Y 4.7050 8.0262 113.1682 57.2954 40.0564 176.1143 209 A 4.6186 7.8094 119.7146 52.1198 21.3167 175.8753 210 Y 3.7890 7.7139 117.6925 58.0302 38.7792 176.0559 211 K 4.0510 8.6100 125.9287 56.0571 33.0649 176.8117 212 G 3.4291 5.3800 108.1490 44.4518 0.0000 172.5683 213 D 4.8186 8.0600 115.0714 52.6206 40.7321 177.6082 214 I 4.3254 7.9361 112.2213 62.7957 38.5747 177.0239 215 L 4.1682 8.3833 121.2799 57.1485 41.5838 178.2383 216 K 4.5644 7.6306 117.5046 56.3283 31.5334 177.7865 217 E 4.7127 7.8633 115.3029 55.7054 30.0103 175.3183 218 V 4.0034 7.7745 124.9413 64.1893 31.7936 174.2683 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 4.51 0.00 2.14 2.02 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 2.58 0.00 2 K 8.61 4.95 0.00 1.70 1.50 0.00 1.39 0.00 0.00 1.49 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.32 7.81 3 I 9.49 4.62 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 1.23 0.53 0.88 0.00 0.00 4 D 8.87 5.05 0.00 2.57 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.33 4.25 1.02 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.21 -0.10 0.00 0.00 6 L 8.34 3.81 0.00 1.91 1.80 0.43 0.98 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 7 D 9.06 4.69 0.00 2.96 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 8.20 4.46 0.00 0.84 1.43 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.40 7.81 9 G 8.05 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.25 5.37 0.00 2.99 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 8.78 5.11 2.20 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 1.16 0.00 0.00 1.26 0.00 0.00 12 E 9.24 5.17 0.00 2.09 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 2.28 2.23 0.00 13 L 8.65 4.19 0.00 1.73 1.61 0.73 0.78 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 14 V 8.51 3.97 1.92 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 0.77 0.00 0.00 0.39 0.00 0.00 15 D 7.44 4.59 0.00 2.66 2.33 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 16 V 7.90 4.57 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 0.02 0.00 0.00 0.73 0.00 0.00 17 M 8.95 4.32 0.00 1.91 1.75 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 18 G 10.18 4.61 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 N 7.81 4.67 0.00 2.78 2.78 0.00 0.00 5.97 8.07 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 20 D 8.82 4.55 0.00 2.64 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 21 L 8.74 4.17 0.00 1.80 1.74 0.91 1.06 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 22 S 8.14 4.15 0.00 4.06 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 23 A 7.88 4.25 1.18 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 0.00 0.00 0.00 24 V 7.55 3.49 2.30 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 1.02 0.00 0.00 1.11 0.00 0.00 25 R 8.40 3.85 0.00 1.98 1.88 0.00 3.22 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 1.53 1.85 0.00 26 A 7.68 3.87 1.13 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 0.00 0.00 27 A 7.89 4.02 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 7.61 4.19 0.00 1.71 1.96 0.00 3.31 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 29 V 7.54 3.27 2.06 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 8.62 4.34 0.00 1.75 1.79 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.39 7.81 111 T 7.97 4.65 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 8.56 4.08 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 0.00 113 I 6.78 4.62 1.86 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 0.65 0.90 0.00 0.00 114 P 0.00 4.26 0.00 2.18 2.11 0.00 3.62 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 2.11 2.11 0.00 115 P 0.00 4.09 0.00 2.13 2.21 0.00 3.59 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 2.11 2.20 0.00 116 E 8.13 4.07 0.00 2.04 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 2.39 2.41 0.00 117 R 8.83 3.95 0.00 1.83 1.97 0.00 3.27 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 118 V 7.57 3.53 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.89 0.00 0.00 119 T 7.95 3.80 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 1.17 0.00 0.00 120 E 7.81 3.92 0.00 2.16 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 2.29 2.34 0.00 121 K 8.23 3.97 0.00 1.91 1.81 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.66 7.81 122 I 7.71 3.69 1.93 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 1.45 0.71 0.83 0.00 0.00 123 S 7.78 4.07 0.00 3.93 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.11 3.89 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 125 I 7.48 3.64 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 1.54 0.82 0.89 0.00 0.00 126 V 7.53 3.27 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 -0.25 0.00 0.00 0.80 0.00 0.00 127 D 8.15 4.41 0.00 2.98 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 0.00 128 K 8.31 3.91 0.00 1.91 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.60 7.81 129 A 8.57 4.02 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 4.26 0.00 3.12 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.64 3.83 0.00 2.02 1.95 0.00 3.19 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 1.66 1.97 0.00 132 T 8.34 3.92 4.46 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 1.24 0.00 0.00 133 Y 8.16 4.11 0.00 3.04 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 0.00 134 L 7.92 3.55 0.00 1.66 1.52 0.67 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.60 3.83 0.00 2.02 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 2.27 2.32 0.00 136 L 8.10 3.93 0.00 1.77 1.64 0.95 0.73 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 0.00 137 I 7.55 3.79 1.65 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 1.26 0.64 0.78 0.00 0.00 138 E 7.95 3.89 0.00 2.06 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 2.30 2.35 0.00 139 S 7.70 4.31 0.00 4.01 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.93 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 7.93 3.82 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 0.96 0.00 0.00 0.91 0.00 0.00 142 P 0.00 4.44 0.00 2.32 2.20 0.00 3.77 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 143 R 8.71 4.00 0.00 2.09 2.16 0.00 3.27 0.00 0.00 3.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 144 E 8.28 3.98 0.00 2.03 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 2.27 2.37 0.00 145 V 7.50 4.03 2.23 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 1.07 0.00 0.00 0.94 0.00 0.00 146 A 8.04 4.12 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 0.00 147 R 8.42 4.18 0.00 2.02 2.39 0.00 2.77 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.65 0.00 148 I 7.64 3.99 1.89 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 1.84 0.63 0.97 0.00 0.00 149 V 7.31 4.19 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 1.12 0.00 0.00 150 L 7.37 4.42 0.00 1.75 1.70 0.48 0.95 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 0.00 151 P 0.00 4.60 0.00 2.48 2.23 0.00 4.04 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.04 0.00 152 L 8.46 4.34 0.00 1.66 1.90 0.91 0.54 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 0.00 153 N 8.43 5.05 0.00 3.15 3.23 0.00 0.00 5.90 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 7.86 3.82 0.00 1.64 1.56 0.32 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 8.81 4.59 0.00 2.77 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 9.24 4.80 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 157 R 8.36 5.31 0.00 1.83 1.82 0.00 3.30 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.54 0.00 158 F 8.65 5.53 0.00 3.42 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 F 9.45 5.28 0.00 3.04 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 0.00 160 W 9.62 5.30 0.00 3.38 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 0.00 161 T 8.49 5.45 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 1.13 0.00 0.00 162 V 7.58 4.50 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 0.00 0.00 -0.44 0.00 0.00 0.66 0.00 0.00 163 N 8.57 5.07 0.00 3.22 2.95 0.00 0.00 6.00 7.39 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 0.00 164 A 8.95 3.86 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 R 8.10 3.79 0.00 2.02 2.12 0.00 3.25 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.93 0.00 166 S 9.08 4.16 0.00 3.97 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 0.00 167 L 8.16 3.89 0.00 1.42 1.31 0.06 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 168 M 7.97 3.68 0.00 1.24 1.91 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.52 0.00 169 N 8.00 4.41 0.00 2.95 3.15 0.00 0.00 6.67 7.13 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 0.00 170 F 8.31 4.05 0.00 3.27 3.28 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 0.00 171 L 8.30 4.14 0.00 2.07 2.03 1.18 0.75 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 0.00 172 N 8.23 4.41 0.00 3.00 2.91 0.00 0.00 6.92 7.40 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 0.00 173 L 7.46 4.21 0.00 1.56 1.60 0.88 0.94 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 0.00 174 R 8.18 3.97 0.00 0.73 1.27 0.00 2.99 0.00 0.00 2.90 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.50 0.00 175 A 7.73 4.58 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 0.00 176 D 7.23 5.12 0.00 2.65 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 0.00 177 S 9.12 4.44 0.00 3.99 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 0.00 178 H 8.21 4.30 0.00 3.26 3.41 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 7.57 4.27 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 0.00 180 Q 8.43 4.19 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.83 2.56 0.00 181 W 9.12 4.29 0.00 3.50 3.34 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 0.00 182 E 8.68 3.65 0.00 2.28 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 2.50 2.57 0.00 183 I 7.71 3.85 1.78 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 1.31 1.41 0.82 0.00 0.00 184 Q 7.70 4.11 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.56 0.00 0.00 0.00 0.00 0.00 2.56 2.42 0.00 185 Q 7.44 3.67 0.00 1.68 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 186 Y 7.55 3.88 0.00 3.17 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 8.16 4.15 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 L 8.08 3.99 0.00 1.81 1.70 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 189 A 7.79 3.95 1.33 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 0.00 190 I 8.11 3.48 2.09 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.92 0.74 0.00 0.00 191 A 8.57 4.21 1.54 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 0.00 0.00 192 R 8.16 3.62 0.00 1.99 2.08 0.00 3.06 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 193 I 7.80 3.77 2.13 0.00 0.00 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 1.52 1.05 1.16 0.00 0.00 194 F 8.38 4.39 0.00 2.90 3.20 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 0.00 195 K 7.83 3.26 0.00 0.79 1.41 0.00 1.33 0.00 0.00 1.40 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.18 1.14 7.81 196 E 7.80 3.98 0.00 2.18 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 2.28 2.47 0.00 197 K 7.84 4.24 0.00 2.06 1.88 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 2.00 1.88 7.81 198 C 8.08 4.97 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 0.00 199 P 0.00 4.39 0.00 2.33 2.29 0.00 3.87 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 200 W 8.27 4.53 0.00 3.76 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 0.00 201 T 8.96 4.11 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 0.00 202 F 8.34 4.02 0.00 2.82 3.14 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 0.00 203 E 8.83 3.96 0.00 2.30 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 2.46 2.69 0.00 204 A 8.06 4.22 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 0.00 205 F 8.13 4.26 0.00 3.12 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 L 7.29 3.57 0.00 1.53 1.45 0.78 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 207 K 7.50 3.79 0.00 1.36 0.74 0.00 1.32 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.20 1.19 7.81 208 Y 8.03 4.70 0.00 2.88 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 0.00 209 A 7.81 4.62 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 0.00 210 Y 7.71 3.79 0.00 1.43 2.41 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 0.00 211 K 8.61 4.05 0.00 1.58 1.64 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.44 7.81 212 G 5.38 3.43 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 0.00 0.00 0.00 213 D 8.06 4.82 0.00 2.58 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 0.00 214 I 7.94 4.33 1.93 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 1.63 0.69 1.01 0.00 0.00 215 L 8.38 4.17 0.00 1.14 1.50 0.50 0.48 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 0.00 216 K 7.63 4.56 0.00 1.98 1.84 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.23 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.65 7.81 217 E 7.86 4.71 0.00 2.08 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 2.41 0.00 218 V 7.77 4.00 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 1.08 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.