NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4123 8.2893 120.3233 55.4563 33.6246 175.2594 2 T 4.2288 8.0880 111.6314 60.3533 71.5882 174.4274 3 N 4.3525 9.3416 120.4933 56.6882 39.0187 178.9781 4 I 3.7280 7.7123 120.6965 64.3150 37.1650 178.1995 5 E 3.9641 8.1233 119.3219 59.2991 29.2598 179.4138 6 I 3.2065 7.6695 119.7656 64.1725 37.0881 178.4694 7 L 4.0448 8.1308 119.9803 57.9589 41.3292 179.3974 8 E 3.9302 8.7274 118.7368 59.5017 29.2870 179.2266 9 N 4.3232 8.4851 116.7754 56.5821 38.6380 177.3394 10 M 4.0108 8.0764 120.0103 58.3602 32.0472 178.8159 11 L 3.8406 7.9262 119.0957 57.6400 41.8188 179.6954 12 K 3.3282 7.7708 118.6314 59.2938 31.8734 179.4124 13 L 4.0101 8.1517 119.5088 57.7200 41.4000 179.3440 14 Q 3.8800 8.5403 119.9933 59.1150 28.9604 178.0702 15 Q 4.2109 8.1953 120.5627 59.0949 29.1184 178.0972 16 K 3.9298 7.9908 120.4896 59.4854 32.2976 178.3658 17 L 4.1368 7.9255 121.8698 57.8212 41.9552 178.7308 18 N 4.0985 8.2393 116.6145 56.0527 38.2287 177.1234 19 D 4.7859 8.6095 120.7249 57.6660 40.6866 178.7546 20 E 4.0090 8.5701 119.3100 59.7288 29.2402 179.7184 21 T 3.9151 8.2786 114.8766 66.2300 68.8551 175.8183 22 N 4.9301 8.9349 116.7252 51.7443 40.3432 175.8436 23 G 4.3737 7.8951 105.9027 44.7704 0.0000 173.0201 24 L 4.3514 8.0875 118.7026 56.0013 42.3278 176.9157 25 N 4.3168 9.0868 116.2197 53.5742 35.9373 176.4836 26 W 4.7372 7.5820 117.2187 58.7472 27.9299 177.9486 27 E 3.6463 7.0703 118.1327 58.8682 28.8365 177.7930 28 N 4.5889 7.8566 114.4126 53.3667 38.9338 175.7779 29 G 3.9828 8.6253 107.3101 45.2490 0.0000 173.1408 30 Y 5.0407 7.8382 116.9126 56.0358 41.6099 175.3661 31 T 4.4988 8.6088 113.9195 60.4242 70.0639 175.8790 32 K 4.2368 8.7685 121.3531 59.6025 32.4046 177.6588 33 E 4.2734 8.2606 117.0337 56.0946 29.6325 176.6349 34 G 3.9543 8.6068 107.4750 45.6772 0.0000 173.6499 35 K 4.3948 7.9208 119.4829 55.2774 33.5234 176.0970 36 L 3.8178 8.3976 126.8165 54.7950 42.7867 175.8653 37 I 3.7901 7.9593 127.8210 60.0605 38.5624 175.8446 38 S 4.1469 7.8096 120.2783 55.2093 63.2615 174.0079 39 W 4.2977 8.0132 128.3338 59.5996 28.8316 178.3072 40 R 3.7701 7.7635 117.5891 59.1265 29.4746 178.9116 41 R 2.5100 7.4267 117.9146 58.9317 29.9919 178.0650 42 C 3.4352 7.5775 116.5468 62.7552 27.8272 176.3446 43 I 3.7504 7.5455 121.2153 64.6535 36.8177 178.2461 44 Y 4.2311 7.8789 118.3184 60.1695 37.8276 178.1600 45 M 4.1679 7.9451 121.0970 58.3935 31.9597 178.4698 46 E 4.1355 8.3262 118.7913 59.4054 29.5444 179.0722 47 C 4.1743 8.5217 117.1575 62.7527 28.2096 175.9087 48 A 3.9629 8.1135 122.2761 55.3431 17.7700 179.5432 49 E 3.9917 7.8771 115.6099 59.2967 29.7139 179.1615 50 L 4.1446 8.2501 120.6861 58.3352 42.2752 178.8291 51 I 3.7732 8.1269 120.1753 64.7856 36.8699 177.7515 52 D 4.9152 8.0616 116.9966 56.2698 40.9166 178.0639 53 S 4.1801 8.3392 115.9883 58.8482 62.8621 173.6619 54 F 4.8258 7.3896 119.8218 56.0056 41.3966 176.5070 55 T 4.2411 8.0412 120.6371 62.2618 66.7230 175.0687 56 W 4.4097 7.7919 119.7603 58.3371 29.4952 178.2611 57 K 2.9089 6.6058 118.8865 55.8173 31.5610 176.4901 58 H 4.6274 8.6160 118.2951 56.0706 29.1732 175.5206 59 W 4.8024 7.2954 115.3582 55.8109 28.9233 174.9888 60 K 4.2177 6.9931 119.4313 56.3853 34.9783 175.3499 61 N 4.0948 8.7174 123.4380 54.3037 36.0832 175.7135 62 I 3.8135 7.5420 109.7514 62.8991 38.4097 176.9027 63 S 4.5342 7.7403 115.4437 58.6168 63.4348 174.5680 64 S 4.2413 7.6482 116.9841 58.5107 63.0603 173.5658 65 L 4.6492 7.8655 122.1755 52.7797 43.8316 176.6478 66 T 3.5371 8.0850 116.5739 64.2388 68.7324 175.2779 67 N 4.4649 8.1507 124.8076 52.1819 37.7534 175.6394 68 W 4.1486 8.0721 126.6791 58.7632 29.3509 177.2935 69 E 3.9397 8.2442 119.2821 59.4927 29.0916 178.3222 70 N 4.2980 8.0182 116.4128 56.1684 38.9882 176.6660 71 V 3.5187 7.6769 120.0430 66.2025 31.5596 178.1530 72 R 4.0166 8.0553 117.4835 59.4040 29.8478 179.1077 73 I 3.7456 7.5441 119.5906 64.6023 37.0468 178.4495 74 E 4.0965 8.4846 119.4515 59.3236 29.2903 179.3581 75 I 3.9183 8.1665 120.2092 64.5174 37.1902 178.6554 76 V 3.9530 8.2236 119.1261 66.0790 31.2218 177.8052 77 D 4.2805 8.6344 119.1388 57.4581 40.6013 178.7290 78 I 3.9609 8.3227 120.6144 64.3493 37.0638 178.2782 79 W 4.1360 8.3283 129.0764 60.6723 30.4755 177.5536 80 H 4.2298 8.3142 117.5771 58.3821 28.1082 177.7104 81 F 4.1971 7.4625 119.1836 60.1210 38.7266 178.1225 82 I 3.5699 7.8474 119.9508 64.2219 36.8215 178.2000 83 L 3.4286 7.1406 120.0396 57.7868 41.3214 179.8529 84 S 3.6568 7.3338 114.7657 61.2883 62.2500 176.7910 85 L 3.9928 7.2504 120.4122 57.6977 41.4482 179.0588 86 L 4.1200 7.8752 118.1693 58.0283 41.6497 179.4309 87 L 4.2039 7.8669 117.6448 57.2663 42.1027 179.8017 88 E 4.1304 8.5609 121.0505 57.5754 29.6260 175.9887 *97 D 4.3116 8.1890 118.5810 54.1229 42.1798 177.2273 98 F 4.3687 8.2063 117.8754 61.3999 38.9609 177.1033 99 K 4.2060 8.4330 120.0509 59.0380 32.0578 178.5480 100 A 4.0174 7.9445 120.4285 55.0851 18.3289 179.5670 101 I 3.6170 7.7688 117.8330 64.5341 37.2101 178.4476 102 A 3.9996 8.3431 121.9169 55.5174 17.9170 179.8095 103 T 3.8117 7.8393 113.3825 66.7855 68.6628 176.4280 104 E 4.1002 8.1479 120.4976 59.4008 29.5183 179.5892 105 V 3.5564 7.7321 118.3345 65.9318 31.3928 177.4481 106 N 4.2157 8.0310 114.9548 55.4741 38.9016 175.7567 107 A 4.4579 7.3513 120.1918 51.7870 19.4514 177.3248 108 V 3.7458 7.4534 119.5198 62.2846 32.1162 176.6589 109 S 4.1712 9.0419 123.2907 61.9135 62.7262 176.7787 110 V 3.6686 7.8827 121.0567 65.1054 31.0146 177.5789 111 F 3.6577 7.9767 120.1639 61.1408 39.4691 176.5863 112 Q 4.0037 7.8942 117.7243 59.1775 28.5457 178.7068 113 D 4.3068 7.9903 119.2694 57.3007 41.0264 178.4307 114 F 4.2261 8.1116 120.7933 60.7858 39.0886 176.1789 115 C 3.9701 7.1876 114.3071 60.9997 28.1912 174.3342 116 K 3.8072 7.8268 121.4170 58.0857 32.3431 180.9283 *124 G 3.8352 7.6747 114.7364 46.7846 0.0000 171.7734 125 D 4.3734 8.7132 110.8009 55.3635 39.4946 175.2851 126 I 3.6698 7.4035 123.0926 64.5260 37.7391 177.7749 127 Y 4.1154 7.9559 117.2366 60.6450 37.7615 178.5378 128 G 3.6223 8.3243 106.7344 47.7458 0.0000 175.8288 129 I 3.6576 7.5813 122.1199 64.1327 37.0224 178.4377 130 L 3.7653 7.9021 120.0108 57.9240 41.4001 179.4447 131 N 4.3337 8.1437 116.3515 56.3123 38.5578 177.2547 132 D 4.3872 8.0752 120.3256 57.3020 40.7992 178.8198 133 I 3.7389 7.9090 120.4736 64.3604 37.0478 177.9920 134 E 3.8658 8.4305 120.4376 59.1500 29.3603 178.6356 135 L 3.9796 7.9066 120.3603 58.1812 42.1436 179.0244 136 I 3.7976 7.7049 119.2887 64.4461 36.8464 178.3365 137 I 3.7602 7.7789 119.5622 64.6943 37.1610 177.5810 138 H 4.2507 8.5667 119.2161 59.4236 29.5167 177.5005 139 K 4.1165 8.3804 119.1734 59.2977 31.9695 178.2500 140 C 4.5977 8.2375 114.5844 60.0125 28.4446 174.0466 141 S 4.5110 7.7275 113.8144 57.6037 63.2248 173.9606 142 G 3.6976 7.6956 110.1479 44.2865 0.0000 173.0786 143 F 4.5045 8.1389 118.1707 59.2149 38.8339 176.5430 144 G 4.2006 9.2809 115.1617 45.5191 0.0000 171.9477 145 F 4.8948 8.6795 126.0409 55.5809 42.8020 173.8751 146 N 4.5783 7.6959 124.3578 51.1087 40.9802 174.6430 147 L 3.7183 8.0777 130.6263 57.9247 42.1901 178.7688 148 G 3.6455 7.9659 105.5228 47.7895 0.0000 175.2915 149 E 4.0039 8.0096 119.6842 58.8987 29.6114 178.8570 150 L 3.9298 7.7010 120.9625 57.8612 42.2107 178.6410 151 L 4.0184 8.0407 119.0567 58.1321 41.6570 179.5481 152 S 4.2741 7.9471 112.5526 61.8627 62.3211 176.2857 153 T 3.8995 7.9394 118.3513 66.6859 68.0975 175.9205 154 Y 3.9778 8.4636 121.7615 60.9177 38.8148 178.3641 155 F 3.6585 8.0665 118.5142 60.3351 39.0059 177.8299 156 T 3.8588 7.9577 115.6386 66.5635 68.2836 176.2341 157 L 3.8937 7.9672 121.8912 58.1869 42.1392 178.8829 158 A 3.9016 7.7979 120.9969 55.0343 18.1907 179.6728 159 I 3.9494 7.9589 118.4602 64.6848 37.0115 178.8578 160 K 4.0857 7.8068 117.6626 59.2692 31.9233 178.2628 161 C 4.8656 7.9163 114.6395 59.8291 28.3167 174.4303 162 G 3.7799 8.0240 109.1649 45.3477 0.0000 173.7306 163 L 4.5047 7.6771 119.1512 53.6290 43.0934 175.6871 164 N 4.1299 7.8150 117.1462 49.9908 41.8049 174.8282 165 L 3.6306 6.9865 120.4927 58.0490 41.8155 178.4656 166 E 3.9532 7.8796 118.6606 59.3849 29.6823 178.7369 167 I 3.6867 8.0915 119.8269 64.2121 37.2004 178.0181 168 L 4.0875 8.1498 121.3981 58.4859 41.8929 178.4855 169 Y 4.3665 8.5459 119.6426 60.8988 38.6825 178.1133 170 K 3.8167 8.3982 119.6144 59.6796 32.0421 179.6354 171 T 3.9199 8.1931 116.1778 66.4920 68.3889 176.1532 172 Y 4.0042 8.6836 121.8720 60.8030 38.9345 178.1539 173 I 3.6683 7.9538 120.7766 64.3794 37.2374 178.5288 174 G 3.5289 7.6752 106.0779 47.8451 0.0000 175.6840 175 K 3.8595 8.1840 123.0287 58.7847 32.2647 178.2077 176 N 4.1051 8.2133 117.8909 56.5487 38.6122 177.0194 177 V 3.6077 7.5724 119.2238 65.9612 31.7144 177.5596 178 L 3.8626 7.7804 120.0523 58.4044 41.9041 178.6415 179 N 4.0719 8.4527 116.5569 56.3071 38.4351 177.4841 180 I 3.6863 7.6218 120.6147 64.2110 37.0161 177.9999 181 F 3.9407 8.2602 120.5092 61.4364 39.4485 176.7946 182 R 3.2464 8.3145 117.6883 59.4624 29.5652 179.0725 183 Q 4.0022 7.4494 115.5851 58.9032 28.7884 178.1401 184 N 4.6154 8.0218 115.3679 54.4230 39.1040 175.0723 185 N 4.9206 8.0067 118.9440 52.9236 39.7331 175.4893 186 G 4.2725 8.4629 103.4173 47.3168 0.0000 175.6864 187 Y 4.0809 8.1380 123.1021 60.2085 38.9505 178.4057 188 K 3.7762 8.1862 119.5599 58.8009 32.4677 176.8023 189 D 4.6831 8.2318 115.3789 53.7652 41.1498 177.0970 190 G 3.9643 7.8057 107.8224 45.4601 0.0000 174.6799 191 S 4.4513 7.7832 113.9750 59.0322 63.8299 173.7468 192 Y 4.6641 7.8872 122.3982 57.0291 39.1539 174.7412 193 K 4.3930 8.4414 127.0894 55.0281 32.6494 176.6805 194 K 4.4287 8.7308 125.6895 57.8035 32.7929 175.9659 195 T 4.8620 7.9530 115.3201 61.6611 70.1722 173.8253 196 W 4.6170 9.4191 127.7759 55.4431 29.9235 175.5028 197 N 4.2722 9.8882 125.4941 54.5564 36.5997 175.0189 198 G 4.0392 8.5126 104.5406 45.0912 0.0000 173.2184 199 K 4.5821 7.5592 119.0556 53.8729 35.0145 175.5342 200 E 4.3781 8.4918 123.5747 55.9022 30.4124 177.2057 201 D 3.3700 8.3918 124.7460 56.4821 38.9985 178.9474 202 N 4.1299 7.8264 117.1527 55.9354 38.6130 176.8116 203 E 3.8590 7.9435 120.8772 59.1101 29.6951 179.0320 204 V 3.5030 7.3756 117.8719 65.6811 31.5534 177.3491 205 L 3.7741 7.8139 120.0851 58.2725 41.6381 178.7987 206 A 3.9389 7.6591 119.0631 55.3312 18.2456 179.3282 207 Q 4.0707 7.9729 116.2408 59.1612 28.7263 179.0228 208 I 3.7215 7.8850 120.8776 64.3765 36.9746 178.2694 209 L 4.1016 7.9992 117.9964 56.7495 41.4999 178.8323 210 E 4.1110 7.5998 118.2056 57.0694 29.5925 177.7840 211 Q 3.9778 8.3681 117.9491 57.4626 27.2469 176.9440 *217 T 4.4545 9.1431 123.8083 64.5149 71.2596 175.9864 218 I 3.6572 7.8337 121.4818 64.7121 37.1517 177.4823 219 Y 3.8854 8.1237 119.6809 60.7094 38.4397 178.0692 220 K 4.1024 8.1908 119.9658 59.3334 32.3926 178.7719 221 K 3.9445 7.9878 118.5262 59.4591 32.0275 179.1438 222 L 3.9191 7.8359 119.1945 57.7710 41.2170 179.2969 223 E 4.1248 7.7768 117.6749 59.2996 29.8881 178.2820 224 E 4.1209 8.4175 118.8244 59.8346 29.5916 179.1581 225 C 4.1412 8.6302 116.8585 63.0989 28.3592 175.6628 226 Y 3.0842 8.2181 121.0833 59.9888 37.9528 178.0597 227 K 3.8042 7.5284 118.5310 58.5007 32.0571 177.6209 228 K 4.3169 7.4904 116.0054 55.9032 32.3240 176.2392 229 A 4.2083 7.2707 127.9106 52.2354 18.9333 177.7377 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 8.29 4.41 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 2 T 8.09 4.23 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 3 N 9.34 4.35 0.00 2.82 3.11 0.00 0.00 6.83 7.21 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 4 I 7.71 3.73 1.87 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 1.65 0.94 0.92 0.00 0.00 5 E 8.12 3.96 0.00 2.18 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 2.32 2.34 0.00 6 I 7.67 3.21 1.85 0.00 0.00 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 0.60 0.31 0.45 0.00 0.00 7 L 8.13 4.04 0.00 1.81 1.72 0.62 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.73 3.93 0.00 2.12 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 2.40 2.52 0.00 9 N 8.49 4.32 0.00 3.01 3.05 0.00 0.00 7.04 7.32 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 10 M 8.08 4.01 0.00 1.69 2.26 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.07 2.66 0.00 11 L 7.93 3.84 0.00 1.69 1.74 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.77 3.33 0.00 1.67 1.62 0.00 1.49 0.00 0.00 1.51 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.52 0.53 7.81 13 L 8.15 4.01 0.00 2.03 1.84 1.10 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.54 3.88 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 15 Q 8.20 4.21 0.00 2.62 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.72 2.84 0.00 16 K 7.99 3.93 0.00 1.92 1.96 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.67 1.48 7.81 17 L 7.93 4.14 0.00 1.80 1.76 0.85 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.24 4.10 0.00 2.28 1.42 0.00 0.00 7.09 8.51 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 19 D 8.61 4.79 0.00 2.99 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 20 E 8.57 4.01 0.00 2.11 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 2.34 2.45 0.00 21 T 8.28 3.92 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 1.23 0.00 0.00 22 N 8.93 4.93 0.00 2.92 2.97 0.00 0.00 7.26 7.19 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 23 G 7.90 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 0.00 0.00 0.00 0.00 24 L 8.09 4.35 0.00 1.71 1.66 1.06 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 N 9.09 4.32 0.00 2.93 2.88 0.00 0.00 7.35 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 26 W 7.58 4.74 0.00 3.82 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.07 3.65 0.00 1.66 1.71 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 1.71 1.47 0.00 28 N 7.86 4.59 0.00 2.89 2.91 0.00 0.00 7.22 7.08 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 29 G 8.63 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 30 Y 7.84 5.04 0.00 3.00 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 31 T 8.61 4.50 4.30 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 1.28 0.00 0.00 32 K 8.77 4.24 0.00 1.91 2.15 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.46 7.81 33 E 8.26 4.27 0.00 1.98 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 2.29 2.38 0.00 34 G 8.61 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.92 4.39 0.00 1.71 1.69 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.52 7.81 36 L 8.40 3.82 0.00 1.45 1.40 0.38 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.96 3.79 1.47 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.41 -0.79 0.00 0.00 38 S 7.81 4.15 0.00 3.55 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 W 8.01 4.30 0.00 3.30 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 40 R 7.76 3.77 0.00 1.65 2.06 0.00 2.21 0.00 0.00 2.83 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.21 0.00 41 R 7.43 2.51 0.00 1.50 1.66 0.00 2.92 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.03 0.00 42 C 7.58 3.44 0.00 2.45 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 43 I 7.55 3.75 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.92 1.03 0.00 0.00 44 Y 7.88 4.23 0.00 3.02 3.21 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 45 M 7.95 4.17 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 46 E 8.33 4.14 0.00 2.29 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 2.76 2.91 0.00 47 C 8.52 4.17 0.00 3.27 3.04 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 48 A 8.11 3.96 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 49 E 7.88 3.99 0.00 2.26 2.25 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 2.40 2.54 0.00 50 L 8.25 4.14 0.00 1.93 1.96 1.08 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.13 3.77 1.81 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.64 0.09 0.00 0.00 52 D 8.06 4.92 0.00 3.01 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.34 4.18 0.00 3.53 3.45 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 54 F 7.39 4.83 0.00 3.10 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.04 4.24 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 1.14 0.00 0.00 56 W 7.79 4.41 0.00 3.57 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 57 K 6.61 2.91 0.00 0.79 0.74 0.00 0.79 0.00 0.00 0.61 0.00 0.00 2.75 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.21 7.81 58 H 8.62 4.63 0.00 3.39 3.57 0.00 5.46 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 W 7.30 4.80 0.00 3.29 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 60 K 6.99 4.22 0.00 0.82 0.85 0.00 1.69 0.00 0.00 1.38 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.06 1.27 7.81 61 N 8.72 4.09 0.00 2.72 2.68 0.00 0.00 6.91 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.54 3.81 1.85 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 1.38 0.50 0.93 0.00 0.00 63 S 7.74 4.53 0.00 3.85 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 64 S 7.65 4.24 0.00 3.91 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 65 L 7.87 4.65 0.00 1.59 1.58 0.94 0.87 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 66 T 8.09 3.54 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.68 0.00 0.00 67 N 8.15 4.46 0.00 2.56 2.44 0.00 0.00 7.06 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 W 8.07 4.15 0.00 3.45 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.24 3.94 0.00 2.05 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 2.36 2.38 0.00 70 N 8.02 4.30 0.00 2.92 2.67 0.00 0.00 6.76 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 71 V 7.68 3.52 2.38 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 1.30 0.00 0.00 0.21 0.00 0.00 72 R 8.06 4.02 0.00 2.13 2.04 0.00 3.23 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 1.74 1.95 0.00 73 I 7.54 3.75 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.95 0.95 0.00 0.00 74 E 8.48 4.10 0.00 2.06 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 2.63 2.52 0.00 75 I 8.17 3.92 2.14 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 1.66 1.15 1.00 0.00 0.00 76 V 8.22 3.95 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 1.13 0.00 0.00 77 D 8.63 4.28 0.00 2.98 2.84 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 78 I 8.32 3.96 2.35 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 1.60 1.02 1.00 0.00 0.00 79 W 8.33 4.14 0.00 3.54 3.38 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 80 H 8.31 4.23 0.00 2.88 2.77 0.00 5.87 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 81 F 7.46 4.20 0.00 3.17 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 82 I 7.85 3.57 1.46 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.68 0.73 0.00 0.00 83 L 7.14 3.43 0.00 1.25 1.25 0.01 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 84 S 7.33 3.66 0.00 2.72 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 85 L 7.25 3.99 0.00 1.76 1.80 1.03 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.88 4.12 0.00 1.60 1.68 0.73 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.87 4.20 0.00 2.06 1.93 1.17 1.10 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 88 E 8.56 4.13 0.00 2.40 2.28 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 2.45 2.65 0.00 *97 D 8.19 4.31 0.00 2.68 2.32 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 98 F 8.21 4.37 0.00 3.09 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 99 K 8.43 4.21 0.00 1.87 1.83 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.40 7.81 100 A 7.94 4.02 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 0.00 101 I 7.77 3.62 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 1.45 0.74 0.91 0.00 0.00 102 A 8.34 4.00 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 0.00 103 T 7.84 3.81 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 1.21 0.00 0.00 104 E 8.15 4.10 0.00 2.15 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 2.57 2.46 0.00 105 V 7.73 3.56 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 0.74 0.00 0.00 1.04 0.00 0.00 106 N 8.03 4.22 0.00 2.78 2.80 0.00 0.00 7.20 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.35 4.46 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 0.00 108 V 7.45 3.75 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 1.14 0.00 0.00 1.05 0.00 0.00 109 S 9.04 4.17 0.00 4.11 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 0.00 110 V 7.88 3.67 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 1.12 0.00 0.00 0.99 0.00 0.00 111 F 7.98 3.66 0.00 2.73 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 0.00 112 Q 7.89 4.00 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 113 D 7.99 4.31 0.00 2.84 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 8.11 4.23 0.00 2.94 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 C 7.19 3.97 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.83 3.81 0.00 1.80 1.59 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.28 7.81 *124 G 7.67 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 0.00 125 D 8.71 4.37 0.00 2.89 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 0.00 126 I 7.40 3.67 1.59 0.00 0.00 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 1.70 0.87 0.57 0.00 0.00 127 Y 7.96 4.12 0.00 3.03 2.98 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 0.00 128 G 8.32 3.62 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 0.00 0.00 0.00 129 I 7.58 3.66 1.69 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 1.56 0.66 0.61 0.00 0.00 130 L 7.90 3.77 0.00 1.78 1.62 0.80 0.41 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 0.00 131 N 8.14 4.33 0.00 2.89 2.87 0.00 0.00 7.02 7.85 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 0.00 132 D 8.08 4.39 0.00 2.94 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 I 7.91 3.74 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.79 0.93 0.00 0.00 134 E 8.43 3.87 0.00 2.07 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 2.27 2.28 0.00 135 L 7.91 3.98 0.00 1.83 1.87 0.96 1.04 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 0.00 136 I 7.70 3.80 2.10 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.69 1.05 0.00 0.00 137 I 7.78 3.76 2.03 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.65 0.77 0.00 0.00 138 H 8.57 4.25 0.00 3.29 3.50 0.00 5.78 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 0.00 139 K 8.38 4.12 0.00 1.99 2.00 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.75 7.81 140 C 8.24 4.60 0.00 3.24 3.32 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 0.00 141 S 7.73 4.51 0.00 3.54 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.70 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.14 4.50 0.00 3.07 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 G 9.28 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 0.00 0.00 0.00 145 F 8.68 4.89 0.00 2.89 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 0.00 146 N 7.70 4.58 0.00 2.70 2.56 0.00 0.00 6.83 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 0.00 147 L 8.08 3.72 0.00 1.87 1.62 1.05 1.07 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 0.00 148 G 7.97 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.01 4.00 0.00 2.19 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 0.00 2.46 2.30 0.00 150 L 7.70 3.93 0.00 1.78 1.86 1.06 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 151 L 8.04 4.02 0.00 2.04 1.99 1.03 0.82 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 0.00 152 S 7.95 4.27 0.00 3.92 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 0.00 153 T 7.94 3.90 4.44 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 1.25 0.00 0.00 154 Y 8.46 3.98 0.00 2.98 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 F 8.07 3.66 0.00 3.08 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 0.00 156 T 7.96 3.86 4.48 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 1.22 0.00 0.00 157 L 7.97 3.89 0.00 1.71 1.76 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 158 A 7.80 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 7.96 3.95 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.26 0.94 0.00 0.00 160 K 7.81 4.09 0.00 1.96 1.93 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.68 7.81 161 C 7.92 4.87 0.00 3.23 3.23 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 0.00 162 G 8.02 3.78 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 0.00 0.00 0.00 163 L 7.68 4.50 0.00 2.00 1.77 1.08 0.83 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 0.00 164 N 7.82 4.13 0.00 2.67 2.59 0.00 0.00 5.59 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 0.00 165 L 6.99 3.63 0.00 1.29 1.48 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 166 E 7.88 3.95 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 2.38 2.45 0.00 167 I 8.09 3.69 1.84 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 1.38 0.57 0.94 0.00 0.00 168 L 8.15 4.09 0.00 2.09 2.01 1.06 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 169 Y 8.55 4.37 0.00 3.15 3.21 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 0.00 170 K 8.40 3.82 0.00 1.92 1.81 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.66 7.81 171 T 8.19 3.92 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 1.24 0.00 0.00 172 Y 8.68 4.00 0.00 3.34 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 I 7.95 3.67 1.85 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.77 0.82 0.00 0.00 174 G 7.68 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 K 8.18 3.86 0.00 1.77 1.68 0.00 1.37 0.00 0.00 1.53 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.21 7.81 176 N 8.21 4.11 0.00 2.04 2.69 0.00 0.00 6.80 7.75 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 0.00 177 V 7.57 3.61 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 1.19 0.00 0.00 1.02 0.00 0.00 178 L 7.78 3.86 0.00 1.67 1.68 0.85 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 179 N 8.45 4.07 0.00 2.74 2.68 0.00 0.00 7.05 7.19 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 0.00 180 I 7.62 3.69 2.20 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 1.41 0.90 1.01 0.00 0.00 181 F 8.26 3.94 0.00 2.78 3.17 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 0.00 182 R 8.31 3.25 0.00 1.44 0.75 0.00 2.61 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.41 0.00 183 Q 7.45 4.00 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 184 N 8.02 4.62 0.00 2.71 2.82 0.00 0.00 6.82 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 N 8.01 4.92 0.00 2.45 2.68 0.00 0.00 6.96 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 G 8.46 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 Y 8.14 4.08 0.00 2.83 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 0.00 188 K 8.19 3.78 0.00 1.78 1.84 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.54 7.81 189 D 8.23 4.68 0.00 2.72 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 0.00 190 G 7.81 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 0.00 191 S 7.78 4.45 0.00 4.06 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 0.00 192 Y 7.89 4.66 0.00 3.24 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 0.00 193 K 8.44 4.39 0.00 1.73 1.77 0.00 1.53 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.34 7.81 194 K 8.73 4.43 0.00 2.14 1.96 0.00 2.04 0.00 0.00 1.99 0.00 0.00 3.16 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 2.01 7.81 195 T 7.95 4.86 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 1.30 0.00 0.00 196 W 9.42 4.62 0.00 3.33 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 0.00 197 N 9.89 4.27 0.00 2.99 2.89 0.00 0.00 7.37 7.98 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 0.00 198 G 8.51 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 0.00 199 K 7.56 4.58 0.00 1.83 1.63 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.34 7.81 200 E 8.49 4.38 0.00 1.95 1.72 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 2.29 2.28 0.00 201 D 8.39 3.37 0.00 2.08 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 0.00 0.00 0.00 0.00 202 N 7.83 4.13 0.00 2.82 2.82 0.00 0.00 6.80 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 0.00 203 E 7.94 3.86 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 2.25 2.47 0.00 204 V 7.38 3.50 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 1.09 0.00 0.00 0.87 0.00 0.00 205 L 7.81 3.77 0.00 1.65 1.72 0.82 1.21 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 0.00 206 A 7.66 3.94 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 0.00 207 Q 7.97 4.07 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 208 I 7.88 3.72 1.99 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 1.52 0.70 0.89 0.00 0.00 209 L 8.00 4.10 0.00 1.71 1.70 0.88 1.18 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 0.00 210 E 7.60 4.11 0.00 2.11 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 2.34 2.49 0.00 211 Q 8.37 3.98 0.00 2.19 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.54 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 *217 T 9.14 4.45 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 1.22 0.00 0.00 218 I 7.83 3.66 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.57 0.87 0.00 0.00 219 Y 8.12 3.89 0.00 3.05 2.98 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 0.00 220 K 8.19 4.10 0.00 1.97 1.86 0.00 1.82 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.60 7.81 221 K 7.99 3.94 0.00 2.15 1.83 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.71 7.81 222 L 7.84 3.92 0.00 1.04 0.53 0.58 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 223 E 7.78 4.12 0.00 2.29 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 0.00 2.47 2.59 0.00 224 E 8.42 4.12 0.00 2.04 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 2.37 2.71 0.00 225 C 8.63 4.14 0.00 3.26 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 0.00 226 Y 8.22 3.08 0.00 2.35 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 0.00 227 K 7.53 3.80 0.00 1.81 1.78 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.48 7.81 228 K 7.49 4.32 0.00 1.71 1.76 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.30 7.81 229 A 7.27 4.21 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 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.