NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 E 4.4485 8.3033 118.6736 56.8614 32.2868 173.6249 1 M 5.1938 8.5872 115.0722 55.0482 35.0167 174.4225 2 R 4.7586 8.9845 119.5789 54.5762 35.4446 173.8034 3 I 4.9176 8.4013 122.0589 59.5689 41.1758 174.2372 4 G 4.5803 8.7077 113.1746 45.3567 0.0000 170.8877 5 H 5.4623 8.6905 119.1426 54.4670 33.6422 172.2661 6 G 4.4491 8.9105 111.4099 44.6986 0.0000 171.0221 7 F 5.5128 8.5001 121.7389 56.8109 42.5118 172.8479 8 D 4.6464 8.0923 123.9106 52.9007 45.1825 173.8849 9 V 4.7308 7.8492 121.4573 61.7937 34.9000 173.6872 10 H 4.9172 8.9053 122.7207 53.9597 33.5963 172.2581 11 A 4.7990 8.3619 122.6572 50.8950 20.3208 176.9934 12 F 4.8728 8.5975 120.7825 58.1104 39.6918 175.2377 13 G 3.9017 9.4390 106.6998 46.9543 0.0000 175.7199 14 G 3.8927 8.5953 112.6836 46.0554 0.0000 172.7840 15 E 4.6208 8.3503 117.4403 54.4581 33.5919 172.5950 16 G 4.5258 8.7093 106.7484 45.6066 0.0000 171.1041 17 P 4.9987 0.0000 0.0000 62.0400 33.2331 175.1903 18 I 4.5680 8.4778 112.9559 59.5337 40.6074 174.6102 19 I 4.9791 8.1547 123.5400 59.7338 39.8571 174.8836 20 I 4.8092 8.3133 127.6577 60.4339 40.2887 175.9000 21 G 4.0591 9.9338 113.8641 46.7049 0.0000 175.1643 22 G 3.9498 9.0447 107.1677 45.0554 0.0000 174.2044 23 V 4.5316 7.6242 120.7979 60.8908 33.7195 174.9185 24 R 4.6304 8.7431 127.4758 56.2994 30.8765 175.8562 25 I 4.4758 8.7872 125.6758 58.5320 40.0136 173.5362 26 P 4.7725 0.0000 0.0000 63.1557 31.8382 175.0181 27 Y 4.8656 8.2831 123.2696 56.7789 41.9797 175.0752 28 E 3.8303 7.4690 121.5257 57.9566 29.8693 177.2565 29 K 4.7701 7.1260 116.2115 54.5982 35.7188 176.1697 30 G 4.5248 8.1574 108.7351 44.4531 0.0000 172.1143 31 L 5.3434 8.4566 118.6075 53.0146 44.1217 176.3679 32 L 4.6330 8.7846 122.5720 53.6961 42.6684 176.2809 33 A 4.3694 8.5662 125.6601 52.2871 21.6509 176.1612 *34 H 4.2108 9.2778 118.3550 57.4464 28.2430 175.9121 35 S 4.7828 7.5895 113.5240 57.0745 65.2057 173.2681 36 D 4.3862 8.6400 118.9064 54.3479 39.4426 176.7079 37 G 3.4714 7.9485 107.9765 46.7444 0.0000 175.0681 38 D 4.8921 7.5517 121.4491 53.0084 39.5934 176.5677 39 V 3.9573 8.1822 120.7418 63.2227 31.7643 177.7715 40 A 3.9062 7.8405 119.8705 55.3414 18.3486 179.6486 41 L 3.9991 8.1593 117.4439 57.9420 41.5538 179.5742 42 H 4.1932 8.4581 116.2994 58.8964 28.6917 177.6897 43 A 3.9613 8.0242 122.5624 55.0019 18.1755 179.4785 44 L 3.8874 8.0533 118.8982 58.4527 42.0823 179.1897 45 T 3.9034 8.1899 116.0035 66.9665 68.4017 176.2409 46 D 4.3388 8.3754 120.5023 57.3347 40.8000 178.7878 47 A 4.2240 8.0348 122.6829 54.4902 18.3075 179.7565 48 L 4.0040 8.0191 117.5833 57.8725 41.7502 179.4941 49 L 4.1126 8.3138 119.3598 57.7088 41.5020 179.9191 50 G 3.5373 8.3493 105.5317 47.8001 0.0000 175.6617 51 A 4.5888 8.0874 123.3681 53.8426 18.4035 178.5634 52 A 3.7209 7.3987 115.9675 50.7021 19.1474 176.8175 53 A 3.7277 7.5251 119.7306 53.7177 16.7696 178.0530 54 L 4.5468 8.2328 117.3363 55.6693 43.8738 176.9520 55 G 3.9936 9.7725 109.3153 43.9173 0.0000 176.5609 56 D 4.6232 8.7729 125.2809 50.9059 43.3982 175.0491 57 I 3.7839 9.0224 114.3888 64.5401 36.9516 178.5612 58 G 3.6953 8.0441 105.7710 46.8889 0.0000 175.0803 59 K 3.9933 8.1732 121.3040 59.5751 32.2922 178.5840 60 L 3.8053 7.0808 117.4373 55.9932 42.8090 177.5013 61 F 4.0808 7.5614 115.8299 54.4162 39.2339 172.8138 62 P 4.5130 0.0000 0.0000 62.4760 32.4615 177.7504 63 D 4.4254 9.2889 122.5910 58.9079 41.0361 179.1958 64 T 3.8171 7.3055 113.8965 66.2473 68.5243 172.9261 65 D 4.6277 8.2096 122.3201 52.9497 41.8028 175.2665 66 P 4.4092 0.0000 0.0000 63.9347 31.8320 177.9947 67 A 3.7942 7.9011 121.3222 54.2501 18.3834 178.1787 68 F 4.8552 7.4241 114.7190 57.4991 39.5558 176.1180 69 K 4.1803 7.7452 123.9701 56.1639 31.5016 181.9993 70 G 3.9763 9.0213 112.3834 44.0719 0.0000 173.4123 71 A 4.1372 7.6818 123.4056 52.4321 18.9448 177.9876 72 D 4.7047 8.8355 123.2046 52.6424 42.2338 177.9559 73 S 4.2062 8.5390 114.9070 61.2996 62.8246 177.0779 74 R 3.9000 7.9334 120.7008 58.9579 29.8246 178.6408 75 E 3.9309 8.5887 118.7584 59.3094 29.4479 179.3306 76 L 3.3847 7.6776 119.0347 57.2662 41.4961 179.2001 77 L 3.9937 8.0482 120.4669 58.4815 41.9965 179.4242 78 R 4.0677 8.1545 117.9380 59.1724 29.9503 178.7251 79 E 4.0153 8.3818 119.1663 59.0607 29.6643 178.7099 80 A 4.1420 8.4401 121.0637 54.9631 18.4380 179.3886 81 W 4.4441 8.6901 127.2258 60.6322 30.8133 178.1055 82 R 3.7285 8.3965 118.8902 59.6103 29.3141 178.8172 83 R 3.9627 7.8135 116.6412 59.1031 30.3322 178.8462 84 I 3.8916 7.6625 119.8557 64.4352 37.1102 178.4950 85 Q 4.0134 7.9715 120.1046 58.0960 28.1900 178.5247 86 A 4.0469 7.5217 120.8011 54.1689 18.4494 178.5230 87 K 4.1967 7.5378 116.3299 56.6730 32.4411 177.3468 88 G 3.7564 7.8966 106.3610 45.8657 0.0000 173.3790 89 Y 4.7432 7.3937 117.1367 57.2544 39.5476 174.0155 90 T 4.8657 8.6679 116.1109 60.2346 71.8115 172.1163 91 L 4.3355 8.9049 127.0155 54.9487 42.4042 175.4917 92 G 3.9971 9.2136 115.8011 46.7911 0.0000 173.4663 93 N 5.1425 7.6218 113.6023 51.4262 41.5412 173.5058 94 V 4.9357 8.6410 111.6599 59.8008 36.5559 174.3829 95 D 5.2028 9.2269 122.1905 52.7265 44.9501 174.2604 96 V 4.8254 8.5080 124.0352 61.5253 35.4853 174.4442 97 T 4.8881 9.3155 123.3830 61.7416 71.6642 172.8396 98 I 4.1948 8.8144 128.7910 60.9325 38.8244 175.4336 99 I 4.9072 9.1417 128.4656 60.0160 39.3925 174.5170 100 A 4.6918 8.5276 127.7842 51.0354 22.3821 177.0598 101 Q 3.8584 9.0684 123.5367 58.8096 29.6332 175.7484 102 A 4.4022 7.2629 116.6255 50.4963 21.6384 173.7297 103 P 4.5582 0.0000 0.0000 61.3446 32.7188 175.8186 104 K 4.0676 8.3456 119.7246 56.8647 32.7327 176.6874 105 M 4.2656 8.5224 125.0111 57.1953 32.3434 178.1151 106 L 3.9504 7.8667 120.1104 57.9716 41.8996 177.1780 107 P 4.2290 0.0000 0.0000 65.0908 31.6351 177.1440 108 H 4.8432 8.3439 113.5259 56.0330 29.3994 177.0139 109 I 3.7084 7.4289 122.4357 63.7295 36.9205 176.0398 110 P 4.1504 0.0000 0.0000 66.0136 31.1691 178.3271 111 Q 3.6747 7.8709 117.3848 58.9734 28.9939 177.7999 112 M 4.4785 7.7448 121.0307 57.9795 31.9605 178.8761 113 R 3.9040 8.1086 118.3369 59.0701 30.1094 179.2970 114 V 3.5037 7.6044 117.9821 66.1254 31.5105 178.0006 115 F 4.5418 7.8083 117.4253 60.8978 38.7091 177.8568 116 I 3.7343 8.0072 119.1469 64.2596 36.9326 178.3526 117 A 3.9526 8.2357 121.7995 54.9293 18.2119 179.6439 118 E 3.9179 8.4902 117.3999 59.8691 29.4162 179.3334 119 D 4.4329 8.1389 117.4927 56.6935 40.9448 177.8757 120 L 3.7552 7.7824 116.7016 53.0884 42.0323 176.6190 121 G 4.0166 7.7132 106.6329 46.6507 0.0000 172.9301 122 C 4.8190 7.8045 113.4932 55.6759 32.7058 172.8871 123 H 4.6375 8.1164 115.3471 55.4805 29.1243 177.0621 124 M 4.0903 8.5561 121.2889 58.4818 31.9689 178.0782 125 D 4.4861 8.0545 116.1811 56.0236 41.7225 175.8921 126 D 4.7101 8.1502 118.0342 54.7485 41.2264 175.5110 127 V 4.6860 7.7322 119.7782 60.9863 34.1278 174.2027 128 N 5.0989 8.9197 125.6630 51.7609 42.2465 173.0268 129 V 4.9409 8.3834 124.4469 61.1046 34.8939 174.1299 130 K 4.8461 9.1880 125.1706 55.5522 36.7381 174.4354 131 A 5.2341 8.3489 120.3795 50.6776 22.3669 175.3792 132 T 4.7327 8.7813 114.2570 60.6456 71.4873 173.7473 133 T 4.8365 8.7076 117.6777 60.0700 71.1842 174.1880 134 T 4.4387 8.2441 108.3114 61.0821 69.3622 173.9282 135 E 3.7275 8.4558 117.4516 58.7372 27.2021 175.0537 136 K 4.1539 8.3498 111.2117 56.2605 31.1087 175.8958 137 L 4.5216 7.8576 118.9651 54.0748 43.6976 177.4792 138 G 4.1669 8.5190 108.9843 44.9791 0.0000 174.2714 139 F 4.3395 8.6623 113.4667 60.2235 37.3477 177.6891 140 T 4.1887 6.3927 111.1980 64.1650 68.6525 176.8774 141 G 3.6520 7.9987 108.6697 46.9353 0.0000 175.0555 142 R 4.4258 7.9571 117.9412 56.2028 30.3078 177.1712 143 G 4.1301 7.9493 107.0623 46.2673 0.0000 174.6853 144 E 4.3938 8.7565 121.7535 58.0716 29.6453 176.4100 145 G 3.9331 7.5320 105.5179 45.0900 0.0000 171.4713 146 I 4.8122 7.9062 118.3571 59.3923 41.3353 174.9632 147 A 5.0838 9.0670 126.6670 50.5210 23.1006 174.4347 148 C 5.0549 8.3900 118.1671 58.1838 35.5497 172.7733 149 E 5.4766 9.2185 124.1963 54.8418 33.1075 174.7435 150 A 5.1561 8.6897 122.0473 50.7811 23.2118 175.6945 151 V 5.0070 9.2163 113.1158 59.5759 36.0220 174.7640 152 A 5.1647 8.8254 124.0977 50.0981 23.1797 174.5897 153 L 5.1184 8.8310 121.9257 53.3578 44.8673 175.6411 154 L 5.2379 8.8438 125.9835 53.4131 44.8710 175.2377 155 I 5.0307 9.0992 124.4844 60.2455 39.9201 176.8497 156 K 4.1963 9.0138 129.3057 55.2668 31.5939 174.0422 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 *0 E 8.30 4.45 0.00 1.68 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 2.21 1.92 0.00 1 M 8.59 5.19 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.69 0.00 2 R 8.98 4.76 0.00 1.67 1.83 0.00 3.33 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 3 I 8.40 4.92 1.88 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 1.29 1.47 0.92 0.00 0.00 4 G 8.71 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.69 5.46 0.00 3.18 3.11 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.91 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 0.00 0.00 0.00 0.00 7 F 8.50 5.51 0.00 3.00 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 8 D 8.09 4.65 0.00 2.68 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 9 V 7.85 4.73 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 0.81 0.00 0.00 0.93 0.00 0.00 10 H 8.91 4.92 0.00 2.96 3.13 0.00 5.66 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 11 A 8.36 4.80 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.60 4.87 0.00 3.08 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 13 G 9.44 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 0.00 0.00 0.00 14 G 8.60 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.35 4.62 0.00 1.65 1.80 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 2.21 1.85 0.00 16 G 8.71 4.53 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 17 P 0.00 5.00 0.00 2.16 2.12 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 18 I 8.48 4.57 1.94 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 1.44 1.25 1.19 0.00 0.00 19 I 8.15 4.98 1.84 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 1.34 1.21 0.89 0.00 0.00 20 I 8.31 4.81 1.87 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 1.22 1.09 0.89 0.00 0.00 21 G 9.93 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 9.04 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 23 V 7.62 4.53 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.13 0.00 0.00 24 R 8.74 4.63 0.00 1.75 1.88 0.00 3.20 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 25 I 8.79 4.48 1.90 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 1.16 1.28 1.02 0.00 0.00 26 P 0.00 4.77 0.00 1.99 2.03 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 27 Y 8.28 4.87 0.00 2.97 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.47 3.83 0.00 1.60 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 1.47 1.87 0.00 29 K 7.13 4.77 0.00 1.34 1.76 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.13 7.81 30 G 8.16 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.46 5.34 0.00 1.52 1.53 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.78 4.63 0.00 1.62 1.62 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.57 4.37 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *34 H 9.28 4.21 0.00 2.94 3.03 0.00 7.20 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.59 4.78 0.00 3.99 3.97 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 36 D 8.64 4.39 0.00 2.78 2.80 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 37 G 7.95 3.47 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 0.00 38 D 7.55 4.89 0.00 2.77 2.47 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 39 V 8.18 3.96 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 1.23 0.00 0.00 0.83 0.00 0.00 40 A 7.84 3.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.16 4.00 0.00 1.72 1.73 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.46 4.19 0.00 3.37 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.02 3.96 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 44 L 8.05 3.89 0.00 1.76 1.87 0.87 0.59 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 45 T 8.19 3.90 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 46 D 8.38 4.34 0.00 2.82 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 47 A 8.03 4.22 1.43 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 48 L 8.02 4.00 0.00 1.95 1.89 0.85 0.56 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 49 L 8.31 4.11 0.00 1.67 1.70 0.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.35 3.54 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 0.00 51 A 8.09 4.59 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.40 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.53 3.73 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 54 L 8.23 4.55 0.00 1.70 1.64 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 55 G 9.77 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.77 4.62 0.00 3.07 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 9.02 3.78 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.95 1.02 0.00 0.00 58 G 8.04 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 59 K 8.17 3.99 0.00 1.69 1.80 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 60 L 7.08 3.81 0.00 0.56 0.13 0.72 0.90 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 61 F 7.56 4.08 0.00 2.72 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.51 0.00 2.28 2.02 0.00 3.92 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 63 D 9.29 4.43 0.00 2.71 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 64 T 7.31 3.82 4.29 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 1.25 0.00 0.00 65 D 8.21 4.63 0.00 2.80 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 66 P 0.00 4.41 0.00 2.17 2.04 0.00 3.60 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 2.06 0.00 67 A 7.90 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.42 4.86 0.00 3.21 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 69 K 7.75 4.18 0.00 1.79 1.63 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.27 7.81 70 G 9.02 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 71 A 7.68 4.14 1.29 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 0.00 0.00 72 D 8.84 4.70 0.00 3.08 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 73 S 8.54 4.21 0.00 3.87 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 74 R 7.93 3.90 0.00 1.89 1.95 0.00 2.80 0.00 0.00 3.04 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 75 E 8.59 3.93 0.00 2.09 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 0.00 2.29 2.41 0.00 76 L 7.68 3.38 0.00 1.66 1.33 0.67 -0.75 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 77 L 8.05 3.99 0.00 1.82 1.82 0.91 1.11 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 78 R 8.15 4.07 0.00 1.93 2.04 0.00 3.21 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.82 0.00 79 E 8.38 4.02 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.71 0.00 80 A 8.44 4.14 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 W 8.69 4.44 0.00 3.52 3.33 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 82 R 8.40 3.73 0.00 2.08 2.10 0.00 3.16 0.00 0.00 3.20 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 83 R 7.81 3.96 0.00 2.01 1.96 0.00 3.20 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 84 I 7.66 3.89 1.78 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.02 0.83 0.00 0.00 85 Q 7.97 4.01 0.00 1.80 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.49 1.16 0.00 86 A 7.52 4.05 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 87 K 7.54 4.20 0.00 2.07 2.06 0.00 1.84 0.00 0.00 1.90 0.00 0.00 3.24 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.47 7.81 88 G 7.90 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 7.39 4.74 0.00 3.05 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 90 T 8.67 4.87 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 1.31 0.00 0.00 91 L 8.90 4.34 0.00 1.67 1.58 0.69 0.82 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 92 G 9.21 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 N 7.62 5.14 0.00 2.87 2.89 0.00 0.00 5.73 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 94 V 8.64 4.94 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 0.76 0.00 0.00 0.86 0.00 0.00 95 D 9.23 5.20 0.00 2.70 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 96 V 8.51 4.83 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 0.99 0.00 0.00 0.91 0.00 0.00 97 T 9.32 4.89 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 98 I 8.81 4.19 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 1.19 0.59 0.87 0.00 0.00 99 I 9.14 4.91 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.87 0.86 0.00 0.00 100 A 8.53 4.69 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 0.00 101 Q 9.07 3.86 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 102 A 7.26 4.40 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 0.00 103 P 0.00 4.56 0.00 2.18 2.14 0.00 3.42 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 104 K 8.35 4.07 0.00 1.70 1.71 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.49 7.81 105 M 8.52 4.27 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 106 L 7.87 3.95 0.00 1.72 1.64 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.23 0.00 1.77 2.03 0.00 3.58 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.12 0.00 108 H 8.34 4.84 0.00 3.22 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.43 3.71 2.01 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 1.51 0.74 0.92 0.00 0.00 110 P 0.00 4.15 0.00 2.09 2.07 0.00 3.56 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 111 Q 7.87 3.67 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.17 1.59 0.00 112 M 7.74 4.48 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.77 0.00 113 R 8.11 3.90 0.00 1.96 1.93 0.00 3.10 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 114 V 7.60 3.50 1.89 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 1.08 0.00 0.00 0.86 0.00 0.00 115 F 7.81 4.54 0.00 3.23 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 0.00 116 I 8.01 3.73 1.85 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 1.44 0.71 0.82 0.00 0.00 117 A 8.24 3.95 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 0.00 118 E 8.49 3.92 0.00 2.28 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 2.38 2.59 0.00 119 D 8.14 4.43 0.00 2.78 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 0.00 120 L 7.78 3.76 0.00 1.26 0.85 0.55 0.07 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 0.00 121 G 7.71 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 0.00 122 C 7.80 4.82 0.00 3.17 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 0.00 123 H 8.12 4.64 0.00 3.38 3.22 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 M 8.56 4.09 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.46 0.00 125 D 8.05 4.49 0.00 2.63 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.15 4.71 0.00 2.87 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 V 7.73 4.69 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.87 0.00 0.00 128 N 8.92 5.10 0.00 2.86 2.76 0.00 0.00 6.15 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.38 4.94 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 0.88 0.00 0.00 0.91 0.00 0.00 130 K 9.19 4.85 0.00 1.78 1.84 0.00 1.30 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.38 7.81 131 A 8.35 5.23 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 0.00 132 T 8.78 4.73 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 0.00 133 T 8.71 4.84 4.47 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 1.21 0.00 0.00 134 T 8.24 4.44 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 1.13 0.00 0.00 135 E 8.46 3.73 0.00 2.13 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 2.24 2.39 0.00 136 K 8.35 4.15 0.00 1.91 1.89 0.00 1.89 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.50 7.81 137 L 7.86 4.52 0.00 1.75 1.54 0.92 0.97 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 0.00 138 G 8.52 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 F 8.66 4.34 0.00 3.21 3.35 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 0.00 140 T 6.39 4.19 4.10 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 0.84 0.00 0.00 141 G 8.00 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 0.00 142 R 7.96 4.43 0.00 1.91 2.06 0.00 3.26 0.00 0.00 3.27 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 143 G 7.95 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.76 4.39 0.00 2.38 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 2.44 2.54 0.00 145 G 7.53 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.91 4.81 1.62 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 1.11 0.33 0.88 0.00 0.00 147 A 9.07 5.08 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 0.00 148 C 8.39 5.05 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 E 9.22 5.48 0.00 2.02 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 0.00 2.79 2.46 0.00 150 A 8.69 5.16 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 V 9.22 5.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.99 0.00 0.00 152 A 8.83 5.16 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 0.00 153 L 8.83 5.12 0.00 1.75 1.52 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.84 5.24 0.00 1.61 1.67 0.54 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 155 I 9.10 5.03 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.79 0.96 0.00 0.00 156 K 9.01 4.20 0.00 1.48 1.54 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.30 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.