NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 5.0995 8.4181 116.1995 57.8847 64.2939 173.5289 3 Q 4.0048 7.9191 116.9939 54.5805 29.0006 174.7802 4 P 4.9248 0.0000 0.0000 60.5775 34.4520 176.0250 5 D 3.7626 8.5284 119.2512 54.3166 41.1175 175.3992 6 P 4.2967 0.0000 0.0000 62.5226 31.8597 175.4837 7 M 4.6544 8.1561 119.7737 53.5427 34.9546 176.8593 8 P 3.9823 0.0000 0.0000 65.3809 31.9148 177.3281 9 D 4.8894 7.8775 114.8211 54.4202 41.2429 176.6606 10 D 4.6516 9.0214 120.4533 55.0586 41.5043 176.5416 11 L 4.9319 7.0621 116.7911 52.7548 43.9894 175.8494 12 H 4.5855 9.3534 120.3078 55.5960 29.0328 175.5118 13 K 4.6682 8.6998 124.9832 55.6083 32.9693 178.3205 14 S 4.4036 9.2132 119.2597 60.8476 63.2826 175.7568 15 S 4.7597 7.9692 114.3725 58.8376 62.6297 174.0866 16 E 4.7295 8.2304 118.3585 56.1246 31.5919 174.8347 17 F 5.3567 8.3994 123.4011 57.1999 40.3427 175.3919 18 T 4.1638 8.6793 114.1953 61.2548 70.0830 174.3519 19 G 4.0253 5.4005 113.5820 45.5647 0.0000 172.7295 20 T 4.2290 8.2517 117.7245 62.0723 70.1415 175.0176 21 M 4.2947 8.4568 125.7182 57.3005 32.1585 177.7927 22 G 3.9205 7.8307 106.4624 48.4715 0.0000 175.3967 23 N 4.4265 7.7297 117.6067 56.5741 38.6603 176.6014 24 M 3.2032 7.2138 118.9445 58.1440 32.0490 177.7389 25 K 3.8896 8.3668 120.1432 59.8668 32.0761 177.9325 26 Y 4.1465 7.5044 118.6383 60.2289 38.8554 176.8867 27 L 3.8969 7.4797 118.9775 57.2371 41.9192 177.6265 28 Y 4.5781 7.7038 114.0552 58.0026 39.7070 174.6338 29 D 4.6561 8.5350 120.0850 54.0487 41.2440 175.7292 30 D 4.5376 8.9619 129.2206 54.7555 39.4962 173.4811 31 H 4.5562 7.4394 117.0138 54.8097 33.1682 171.6687 32 Y 4.6365 7.1071 125.8822 56.7114 39.4328 172.5387 33 V 4.2796 7.7031 122.6336 61.9438 33.2618 174.8353 34 S 5.7498 8.8596 120.4998 55.7386 66.3224 172.5970 35 A 4.9329 8.5397 122.2205 50.5490 23.2698 174.6532 36 T 4.7398 7.8443 114.3876 62.4223 71.7280 174.1663 37 K 3.5392 10.0620 129.7214 56.8082 30.4691 174.3834 38 V 4.4923 8.5220 114.4624 58.8328 35.4896 174.9154 39 K 4.8932 8.3770 123.5989 54.1090 34.1039 175.8843 40 S 3.8511 8.9171 120.0087 58.9778 62.4997 174.2759 41 V 4.1804 7.5136 119.2695 61.6314 32.6284 175.5808 42 D 4.3532 6.2354 118.1371 56.2482 45.1195 174.3806 43 K 4.4710 7.7890 121.6326 56.7518 35.1944 173.1700 44 F 4.7871 8.7694 123.4565 58.0322 42.0428 176.6867 45 L 4.3402 9.3032 119.1163 52.3614 44.2058 177.3232 46 A 3.9884 8.5247 122.0342 56.1362 18.3769 178.3979 47 H 4.7945 7.9762 109.0938 55.4837 28.8471 173.9198 48 D 5.4676 7.3756 117.3519 52.0214 42.3888 175.1887 49 L 4.6734 8.4162 118.5876 53.0004 45.3892 175.4798 50 I 4.5908 7.9211 123.4590 59.6717 39.8758 174.5128 51 Y 4.5442 8.4027 123.8618 56.3865 41.5700 174.8955 52 N 5.2338 8.8262 118.3706 52.3545 38.5080 174.6747 53 I 4.8403 8.3018 122.1093 59.4878 41.5540 175.1132 54 S 4.6460 8.4219 120.4185 56.1327 66.1294 172.9108 55 D 3.3700 8.0369 124.4029 54.4206 40.7295 175.7989 56 K 3.3957 8.9698 125.8554 61.0060 32.1373 177.8537 57 K 4.0487 7.1673 121.4235 58.0142 33.2414 181.4006 58 L 4.5187 7.6054 128.0776 54.5144 44.2573 176.8566 59 K 4.6033 8.2737 114.8464 57.1638 32.6306 176.0404 60 N 4.9049 9.1964 113.5389 51.9704 38.8158 174.8170 61 Y 5.5288 7.1140 127.4785 57.3604 38.8594 171.9641 62 D 5.0989 8.5065 124.1459 54.0243 43.3899 176.0007 63 K 5.0244 8.0913 116.9586 55.2799 36.5874 175.1447 64 V 4.7168 9.0072 121.6901 60.9441 34.8888 174.1555 65 K 4.2668 8.4997 128.1915 54.7154 34.4383 174.5550 66 T 5.3644 8.2603 122.7485 60.3864 69.4889 173.3756 67 E 4.5793 8.4330 126.3845 54.7571 32.9281 175.6069 68 L 4.6185 8.4442 125.1207 52.9256 43.6545 177.6994 69 L 3.9674 8.0504 122.0301 57.9128 42.0898 176.7569 70 N 4.2877 7.2280 112.8611 52.3221 39.9861 174.9676 71 E 4.1539 8.2578 119.5741 58.1073 30.4859 176.3917 72 D 5.3606 7.5024 117.6029 53.8930 41.5484 175.3527 73 L 4.5237 7.6384 121.2081 56.0193 44.9190 176.8699 74 A 4.0262 7.7491 119.3316 55.0593 18.0949 180.8885 75 K 4.5524 8.2384 114.1004 58.3747 32.2787 178.6445 76 K 3.8763 7.6555 118.0839 58.9302 32.3374 176.7293 77 Y 4.7299 8.3578 114.8216 57.6844 40.2284 177.3473 78 K 4.0128 7.6376 117.5324 59.3877 32.4425 177.0178 79 D 4.8276 7.8361 115.4582 53.6983 43.3069 174.8489 80 E 4.2034 8.0295 120.0255 55.9188 30.3765 176.9185 81 V 3.8557 8.6197 124.2958 63.7228 32.8883 175.0974 82 V 5.0273 8.8094 122.3840 59.6161 35.6320 174.0313 83 D 5.2266 9.3833 120.3229 52.8878 44.8957 175.4361 84 V 4.7458 8.2361 122.0291 61.3915 34.7945 173.7434 85 Y 5.6932 7.2766 124.6340 58.0251 42.4268 173.3608 86 G 4.0564 7.9169 112.0245 45.8447 0.0000 171.9855 87 S 4.9186 8.6569 115.8548 57.5783 63.2755 172.9857 88 N 5.4380 8.7389 122.2347 51.3212 40.2071 172.6061 89 Y 5.1452 8.0311 118.2371 56.7033 42.2138 174.4948 90 Y 4.2781 8.6338 113.6318 59.3561 45.3031 175.1211 91 V 3.6814 7.8670 122.2232 65.6563 31.0390 174.7107 92 N 4.5508 9.0626 127.1312 54.4596 36.6722 174.0843 93 C 4.5808 7.7263 115.5175 54.1548 45.4715 172.3191 94 Y 4.8331 7.1843 123.8169 55.4270 40.4402 175.5446 95 F 3.6283 7.7578 115.3274 55.7476 38.8357 173.1856 96 S 4.3991 7.7514 130.0033 59.4751 61.4661 175.8965 97 S 4.2929 8.1100 115.7511 60.4742 63.7474 175.8802 98 K 4.0185 6.9696 115.6215 57.8058 29.0851 173.1916 99 D 4.6014 7.7356 121.3501 55.2270 43.0696 177.8034 *101 K 4.0961 7.4004 118.9298 55.8311 33.9957 179.1034 102 V 3.1159 7.8528 112.1861 65.0172 29.0436 177.0559 103 T 3.2783 7.6070 107.5300 63.4422 64.4152 170.3468 104 G 3.9449 8.1848 119.7451 43.5240 0.0000 172.1485 105 G 4.0708 8.5038 112.0432 46.6533 0.0000 172.2336 106 K 5.2844 8.3766 119.4205 55.5940 35.4998 175.0154 107 T 4.1351 8.8518 117.3687 60.2084 71.1649 171.5627 108 C 5.3226 7.1525 120.8423 55.3718 41.5162 173.0430 109 M 4.7775 8.2237 115.8966 55.1804 34.2901 173.4543 110 Y 5.0617 8.7054 117.6386 56.8928 40.7715 180.2809 111 G 3.3275 9.1356 105.4465 44.2391 0.0000 176.4626 112 G 3.9588 9.1786 110.4627 46.5927 0.0000 172.6704 113 I 4.8755 9.0728 120.6072 59.0822 39.9574 175.7561 114 T 4.7682 8.7000 116.9654 59.1272 72.0426 173.0894 115 K 3.7260 9.1352 123.2704 57.9359 32.2857 175.0625 116 H 4.0855 9.4533 127.1763 58.1846 30.4372 174.1564 117 E 3.9098 7.9288 122.2130 57.6984 30.3620 177.6997 118 G 4.1000 8.7711 113.5405 45.9866 0.0000 174.2334 119 N 4.2532 7.7604 117.4025 55.6262 39.2212 173.9391 120 H 5.1174 8.1866 114.7383 54.5733 29.1734 174.4640 121 F 3.9992 7.4190 121.9065 56.1145 38.5546 175.1339 122 D 4.5649 8.7365 126.4044 57.3894 41.9813 178.4304 123 N 5.0781 7.4340 115.6648 52.6805 39.6770 176.5938 124 G 3.5360 9.5351 118.2070 47.2521 0.0000 175.8695 125 N 3.6763 9.0204 108.6640 52.9206 37.9859 174.4463 126 L 4.7948 7.8755 123.8878 52.6916 45.9065 175.7472 127 Q 3.8585 8.7533 125.3308 56.3766 30.0111 174.8759 128 N 4.9621 8.6594 124.4429 53.0324 39.9452 174.7648 129 V 4.3675 8.3616 121.7956 60.9974 35.0004 173.6596 130 L 4.7546 8.3902 129.4551 53.5940 44.2021 174.7608 131 V 4.1280 8.3876 127.2553 61.1766 33.2413 174.4252 132 R 4.6811 8.4989 127.5174 54.6546 32.4629 175.5855 133 V 4.7328 8.0024 121.7128 61.1936 34.8630 173.6701 134 Y 4.8163 8.9532 125.6457 56.3321 40.2392 174.2861 135 E 5.5506 8.6534 124.2328 54.5701 32.4387 176.3388 136 N 4.3151 10.1014 120.5024 54.2596 36.6599 173.8324 137 K 4.3602 7.6904 118.1569 56.7932 31.3555 177.5766 138 R 4.1308 7.8164 118.9633 55.9823 30.5735 175.3801 139 N 5.1241 8.5976 124.4666 52.2566 37.0176 174.3983 140 T 4.0219 7.7092 111.4931 63.0366 70.0041 174.8643 141 I 4.4031 6.9462 120.6905 60.4522 41.4358 172.6891 142 S 5.3204 8.1868 121.7405 57.0870 67.4548 172.0465 143 F 4.6539 7.8595 114.5653 57.0121 41.1943 172.3215 144 E 5.5763 8.7405 117.1427 54.0854 33.5278 176.0545 145 V 4.6428 7.8399 111.7891 60.7143 36.0877 173.1149 146 Q 5.6310 8.6172 121.9020 53.8170 32.8092 174.7674 147 T 4.5726 8.0678 114.1660 61.4907 70.7874 174.3769 148 D 5.0793 8.3309 120.4876 53.4684 40.2057 175.0311 149 K 4.5808 7.8980 116.7282 55.4612 36.0585 176.5162 150 K 3.6876 8.6214 121.6661 58.0830 33.4860 176.6292 151 S 5.0129 7.6950 114.8643 56.4344 63.6233 174.1510 152 V 4.5845 8.2719 126.5957 59.5878 35.0431 175.0920 153 T 4.3070 9.1093 114.0562 62.1398 69.3037 175.7046 154 A 3.4034 8.3615 127.8032 55.0918 19.0125 178.8233 155 Q 3.6660 8.4149 118.2007 59.1605 28.8429 178.1200 156 E 3.4373 8.3166 119.7476 59.4409 30.4552 179.2971 157 L 4.2026 8.3358 118.9649 57.3426 41.7354 179.0267 158 D 4.8557 8.9541 118.9938 57.3757 41.0194 177.4090 159 I 4.8428 8.1317 117.3833 61.9597 37.5944 176.8395 160 K 4.6695 8.0755 118.2041 56.7738 33.6761 177.6562 161 A 4.5524 8.0753 121.2521 54.7284 18.8584 179.1598 162 R 3.9660 8.0909 115.7621 59.4651 30.1121 178.6922 163 N 4.8043 8.5540 117.3795 56.2242 38.5799 176.0339 164 F 3.9555 8.4883 121.9901 61.5496 39.4318 176.7097 165 L 4.3435 8.1239 115.8656 55.7127 41.4998 179.0501 166 I 3.9371 7.6035 121.1046 64.3109 37.1050 177.9004 167 N 4.2830 7.3775 114.5761 56.0969 38.5217 177.1026 168 K 4.0147 8.5847 119.6975 57.7138 32.3682 177.2331 169 K 4.4876 7.2917 114.0911 54.9246 34.8031 175.4735 170 N 4.3776 8.2717 114.6714 52.4223 36.0091 173.8316 171 L 4.1894 8.0151 122.1486 57.9975 42.6611 176.3896 172 Y 4.9221 7.5246 113.7344 56.1630 40.1472 174.7457 173 E 4.9207 8.4199 122.8562 54.2155 33.0537 175.9287 174 F 4.2071 8.9744 120.3711 61.2716 39.5436 176.1988 175 N 4.6100 8.2789 116.0947 54.1406 41.5461 173.7441 176 S 4.5150 7.5696 116.1072 57.0969 63.1405 172.3542 177 S 5.0292 8.4044 112.6832 55.9331 65.2701 172.4406 178 P 4.1643 0.0000 0.0000 64.1334 31.1830 176.1639 179 Y 4.9810 7.3572 115.6676 56.4575 40.3130 174.6960 180 E 4.7177 8.9329 122.0490 57.5718 32.0753 175.6228 181 T 5.1350 7.8333 107.6597 60.3737 73.2141 173.4016 182 G 4.9984 8.4783 107.4368 45.4279 0.0000 171.7319 183 Y 5.5370 7.9857 121.1238 55.5539 42.4989 173.7371 184 I 4.7720 8.8804 119.4579 59.1843 40.9007 173.7680 185 K 4.8672 8.6764 132.2137 55.6703 33.5930 175.4485 186 F 4.8298 8.3608 126.6262 56.4927 40.9410 175.0291 187 I 4.9360 8.2033 122.8522 59.5000 40.0802 175.1348 188 E 4.5267 9.3625 127.9098 55.4078 30.2781 176.8882 189 N 4.3682 9.0338 119.8978 56.4184 36.9943 176.9549 190 N 4.4205 8.3231 111.8891 52.3610 36.4794 174.5344 191 G 4.0092 8.3987 103.4518 46.7689 0.0000 173.3461 192 N 5.0307 9.9479 120.1701 53.4603 40.1594 173.8407 193 T 5.8462 8.9596 115.3581 59.0179 72.3935 172.6315 194 F 5.4502 8.0957 117.3222 55.1845 41.7309 173.0181 195 W 5.4275 8.0745 115.9484 55.1721 31.1956 173.8720 196 Y 4.8579 8.5397 120.0564 56.4086 39.7474 174.4964 197 D 5.0522 8.8736 123.8339 54.9409 41.6766 175.5262 198 M 4.8923 8.9765 124.9834 55.5467 32.3599 176.1445 199 M 4.9835 8.3633 118.0299 52.5272 36.1027 173.4632 200 P 4.3162 0.0000 0.0000 62.0123 32.1623 176.0031 201 A 3.6796 8.2053 123.2699 51.3165 19.0236 175.4114 202 P 4.6338 0.0000 0.0000 63.0227 32.2394 175.1956 203 G 3.8354 8.4429 106.3543 44.7411 0.0000 174.1849 204 D 4.7687 8.4895 115.3986 51.9478 39.6136 176.1293 205 K 4.8472 7.8351 117.3548 55.1027 36.1712 175.2747 206 F 4.6580 8.7836 122.1336 55.9398 41.7341 174.1005 207 D 4.5178 7.8901 127.2622 52.7222 42.2725 176.5852 208 Q 3.5233 8.1158 127.3059 58.5669 28.6245 178.5062 209 S 3.0129 8.1047 114.1637 60.5217 62.7085 175.5938 210 K 3.8835 7.7793 121.4501 59.0640 32.2606 177.5247 211 Y 3.9480 7.6595 120.0034 60.9256 38.7286 178.2229 212 L 4.0750 7.6115 117.8118 56.3561 41.5060 178.1145 213 M 2.5500 6.9868 117.7523 56.1656 32.6233 177.1317 214 M 3.8110 7.1360 117.1152 58.7797 31.2357 177.1161 215 Y 4.5487 7.2140 115.7669 58.1602 38.1555 176.5211 216 N 4.3795 7.9659 121.7304 56.7300 39.0319 176.6634 217 D 4.3035 7.9879 115.9534 54.1414 39.7951 175.5843 218 N 4.1138 7.9466 116.3475 53.6878 38.0305 173.4660 219 K 3.8757 8.2590 116.7619 57.0245 32.8698 175.2397 220 T 4.6962 8.4067 116.9471 60.4484 71.2991 174.0909 221 V 4.5665 8.3224 115.0569 60.0094 37.0865 173.6282 222 D 4.8639 8.8114 124.1680 53.9219 41.3842 176.4000 223 S 4.3321 9.1290 122.9663 61.6066 62.3470 176.5573 224 K 4.1003 8.6311 118.5689 58.4204 32.3390 177.4079 225 S 4.5004 7.8208 110.8842 59.0460 65.2352 174.5007 226 V 3.7298 7.3899 118.8960 60.1435 32.2374 175.0268 227 K 4.7603 8.9745 120.3755 54.8362 36.4335 175.0806 228 I 4.7037 7.8564 119.6269 59.7417 41.9398 174.3378 229 E 4.9105 9.0008 125.2560 54.5305 33.3879 174.6329 230 V 4.5420 9.2596 125.6492 61.3355 34.1744 173.8468 231 H 5.0285 8.5675 125.3858 53.9621 31.0486 173.2655 232 L 4.9784 9.1281 124.3545 53.0960 44.7920 176.7707 233 T 5.0373 8.4483 114.6172 60.6135 71.9454 172.8521 234 T 4.9009 8.2313 110.7520 60.5635 71.8750 172.5627 235 K 4.4674 8.7821 117.3907 57.4179 35.7361 177.0235 236 N 4.2930 8.4388 116.3812 54.2486 37.9106 175.0829 237 G 3.8338 9.1447 107.0889 45.9815 0.0000 173.4559 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 2 S 8.42 5.10 0.00 3.94 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 3 Q 7.92 4.00 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 4 P 0.00 4.92 0.00 2.20 2.11 0.00 3.97 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 5 D 8.53 3.76 0.00 2.50 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 0.00 0.00 0.00 0.00 6 P 0.00 4.30 0.00 1.22 1.08 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 7 M 8.16 4.65 0.00 2.00 1.87 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 2.43 2.41 0.00 8 P 0.00 3.98 0.00 2.19 2.04 0.00 3.54 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 2.10 2.16 0.00 9 D 7.88 4.89 0.00 2.67 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 10 D 9.02 4.65 0.00 2.57 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 11 L 7.06 4.93 0.00 1.68 1.63 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 12 H 9.35 4.59 0.00 3.45 3.43 0.00 5.67 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.70 4.67 0.00 1.83 2.21 0.00 1.64 0.00 0.00 1.93 0.00 0.00 3.06 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.61 1.55 7.81 14 S 9.21 4.40 0.00 4.14 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.97 4.76 0.00 4.03 4.38 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 16 E 8.23 4.73 0.00 2.20 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 2.26 2.27 0.00 17 F 8.40 5.36 0.00 2.98 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 18 T 8.68 4.16 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 1.15 0.00 0.00 19 G 5.40 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.25 4.23 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 21 M 8.46 4.29 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 3.02 0.00 22 G 7.83 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 0.00 0.00 0.00 23 N 7.73 4.43 0.00 2.94 3.08 0.00 0.00 6.96 7.69 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 24 M 7.21 3.20 0.00 1.44 0.97 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.60 0.00 25 K 8.37 3.89 0.00 1.98 1.99 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.60 1.71 7.81 26 Y 7.50 4.15 0.00 3.04 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 27 L 7.48 3.90 0.00 1.55 1.26 1.24 0.95 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 28 Y 7.70 4.58 0.00 3.38 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.54 4.66 0.00 2.77 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 30 D 8.96 4.54 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 31 H 7.44 4.56 0.00 2.94 3.03 0.00 6.07 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 32 Y 7.11 4.64 0.00 2.06 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.70 4.28 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 0.95 0.00 0.00 0.69 0.00 0.00 34 S 8.86 5.75 0.00 3.98 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 0.00 35 A 8.54 4.93 1.19 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 0.00 0.00 36 T 7.84 4.74 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 1.23 0.00 0.00 37 K 10.06 3.54 0.00 1.46 1.69 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 0.99 7.81 38 V 8.52 4.49 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 0.61 0.00 0.00 0.52 0.00 0.00 39 K 8.38 4.89 0.00 1.75 1.74 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.44 7.81 40 S 8.92 3.85 0.00 3.64 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 41 V 7.51 4.18 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 0.93 0.00 0.00 42 D 6.24 4.35 0.00 2.74 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.79 4.47 0.00 1.67 1.64 0.00 1.76 0.00 0.00 1.93 0.00 0.00 2.71 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.17 1.22 7.81 44 F 8.77 4.79 0.00 2.94 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 9.30 4.34 0.00 1.82 1.47 1.07 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.52 3.99 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 47 H 7.98 4.79 0.00 3.59 3.58 0.00 5.59 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 7.38 5.47 0.00 2.82 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.42 4.67 0.00 1.53 1.26 1.10 0.80 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 50 I 7.92 4.59 1.65 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 0.70 0.97 0.86 0.00 0.00 51 Y 8.40 4.54 0.00 2.95 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.83 5.23 0.00 2.67 2.85 0.00 0.00 6.67 7.45 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 53 I 8.30 4.84 2.04 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 1.25 0.67 1.09 0.00 0.00 54 S 8.42 4.65 0.00 3.60 3.73 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 55 D 8.04 3.37 0.00 2.07 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.97 3.40 0.00 1.66 1.63 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.48 7.81 57 K 7.17 4.05 0.00 1.77 1.66 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.59 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.36 7.81 58 L 7.61 4.52 0.00 1.77 1.63 0.91 0.80 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 59 K 8.27 4.60 0.00 1.68 1.73 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.26 1.37 7.81 60 N 9.20 4.90 0.00 3.31 3.23 0.00 0.00 6.74 7.43 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 61 Y 7.11 5.53 0.00 3.21 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.51 5.10 0.00 2.64 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.09 5.02 0.00 2.01 2.15 0.00 1.55 0.00 0.00 1.93 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.59 7.81 64 V 9.01 4.72 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 0.78 0.00 0.00 0.96 0.00 0.00 65 K 8.50 4.27 0.00 0.79 1.05 0.00 1.43 0.00 0.00 1.43 0.00 0.00 2.48 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.72 0.48 7.81 66 T 8.26 5.36 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 1.26 0.00 0.00 67 E 8.43 4.58 0.00 1.64 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 2.27 2.12 0.00 68 L 8.44 4.62 0.00 1.68 1.66 0.87 0.20 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 69 L 8.05 3.97 0.00 1.73 1.75 0.93 1.23 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 70 N 7.23 4.29 0.00 3.06 2.87 0.00 0.00 6.54 7.54 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 71 E 8.26 4.15 0.00 2.06 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 2.38 2.33 0.00 72 D 7.50 5.36 0.00 2.72 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.64 4.52 0.00 2.01 1.68 1.11 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.75 4.03 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 75 K 8.24 4.55 0.00 1.77 1.79 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.61 1.66 7.81 76 K 7.66 3.88 0.00 1.66 2.03 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.36 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.30 1.00 7.81 77 Y 8.36 4.73 0.00 3.11 2.95 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 78 K 7.64 4.01 0.00 1.98 2.14 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.45 7.81 79 D 7.84 4.83 0.00 2.63 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.03 4.20 0.00 2.16 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 2.32 2.32 0.00 81 V 8.62 3.86 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 0.97 0.00 0.00 0.95 0.00 0.00 82 V 8.81 5.03 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 0.85 0.00 0.00 0.78 0.00 0.00 83 D 9.38 5.23 0.00 2.56 2.53 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 84 V 8.24 4.75 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 0.87 0.00 0.00 0.46 0.00 0.00 85 Y 7.28 5.69 0.00 2.93 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 7.92 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 87 S 8.66 4.92 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 88 N 8.74 5.44 0.00 2.49 2.54 0.00 0.00 5.84 7.55 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 89 Y 8.03 5.15 0.00 3.16 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 90 Y 8.63 4.28 0.00 3.02 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.87 3.68 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 0.82 0.00 0.00 0.98 0.00 0.00 92 N 9.06 4.55 0.00 2.94 3.22 0.00 0.00 7.02 7.65 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 93 C 7.73 4.58 0.00 2.15 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.18 4.83 0.00 2.82 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 95 F 7.76 3.63 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 7.75 4.40 0.00 4.21 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 97 S 8.11 4.29 0.00 4.03 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 98 K 6.97 4.02 0.00 1.88 2.01 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.47 7.81 99 D 7.74 4.60 0.00 2.65 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 *101 K 7.40 4.10 0.00 1.76 1.75 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.40 7.81 102 V 7.85 3.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.93 0.00 0.00 103 T 7.61 3.28 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 1.20 0.00 0.00 104 G 8.18 3.94 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 0.00 0.00 0.00 105 G 8.50 4.07 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 0.00 0.00 0.00 106 K 8.38 5.28 0.00 1.26 1.44 0.00 1.09 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.08 1.20 7.81 107 T 8.85 4.14 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 108 C 7.15 5.32 0.00 1.42 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 0.00 109 M 8.22 4.78 0.00 1.84 2.24 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 110 Y 8.71 5.06 0.00 3.12 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 0.00 111 G 9.14 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 0.00 0.00 0.00 112 G 9.18 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 0.00 113 I 9.07 4.88 1.23 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.76 0.52 0.00 0.00 114 T 8.70 4.77 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 115 K 9.14 3.73 0.00 1.83 2.03 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.73 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.52 1.54 7.81 116 H 9.45 4.09 0.00 3.42 3.27 0.00 5.80 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 7.93 3.91 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 118 G 8.77 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 0.00 0.00 0.00 0.00 119 N 7.76 4.25 0.00 2.97 2.85 0.00 0.00 6.99 9.16 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 0.00 120 H 8.19 5.12 0.00 3.10 3.24 0.00 5.86 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 7.42 4.00 0.00 3.09 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 0.00 122 D 8.74 4.56 0.00 2.73 2.76 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 0.00 123 N 7.43 5.08 0.00 2.91 2.23 0.00 0.00 6.84 7.65 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 0.00 124 G 9.54 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 0.00 125 N 9.02 3.68 0.00 2.73 2.99 0.00 0.00 5.70 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.88 4.79 0.00 1.44 1.61 0.94 1.02 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 0.00 127 Q 8.75 3.86 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.12 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 128 N 8.66 4.96 0.00 2.58 2.83 0.00 0.00 6.85 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 0.00 129 V 8.36 4.37 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 0.93 0.00 0.00 1.02 0.00 0.00 130 L 8.39 4.75 0.00 1.70 1.38 0.86 0.73 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 0.00 131 V 8.39 4.13 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.33 0.00 0.00 132 R 8.50 4.68 0.00 1.69 1.64 0.00 3.12 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.42 0.00 133 V 8.00 4.73 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 1.02 0.00 0.00 0.98 0.00 0.00 134 Y 8.95 4.82 0.00 2.61 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 0.00 135 E 8.65 5.55 0.00 1.98 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 2.19 2.07 0.00 136 N 10.10 4.32 0.00 2.83 2.87 0.00 0.00 7.43 7.61 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 0.00 137 K 7.69 4.36 0.00 1.96 2.34 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.29 7.81 138 R 7.82 4.13 0.00 1.87 1.80 0.00 3.17 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 139 N 8.60 5.12 0.00 1.44 2.40 0.00 0.00 7.38 7.70 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 0.00 140 T 7.71 4.02 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 0.00 141 I 6.95 4.40 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.07 0.96 0.00 0.00 142 S 8.19 5.32 0.00 3.66 3.58 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 0.00 143 F 7.86 4.65 0.00 2.61 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.74 5.58 0.00 1.83 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.11 0.00 145 V 7.84 4.64 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 1.04 0.00 0.00 0.91 0.00 0.00 146 Q 8.62 5.63 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.18 0.00 147 T 8.07 4.57 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 1.25 0.00 0.00 148 D 8.33 5.08 0.00 2.82 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 0.00 149 K 7.90 4.58 0.00 1.56 1.69 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.18 1.28 7.81 150 K 8.62 3.69 0.00 1.44 1.64 0.00 1.47 0.00 0.00 1.47 0.00 0.00 2.50 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 0.74 7.81 151 S 7.69 5.01 0.00 3.83 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 8.27 4.58 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 0.72 0.00 0.00 0.81 0.00 0.00 153 T 9.11 4.31 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 1.16 0.00 0.00 154 A 8.36 3.40 1.15 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 0.00 155 Q 8.41 3.67 0.00 1.47 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.23 1.59 0.00 156 E 8.32 3.44 0.00 1.63 1.78 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 1.96 1.47 0.00 157 L 8.34 4.20 0.00 2.11 1.82 1.10 0.80 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 0.00 158 D 8.95 4.86 0.00 3.44 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 0.00 159 I 8.13 4.84 2.23 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.99 1.19 0.00 0.00 160 K 8.08 4.67 0.00 1.94 1.94 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.68 7.81 161 A 8.08 4.55 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 0.00 162 R 8.09 3.97 0.00 1.96 2.19 0.00 3.47 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 163 N 8.55 4.80 0.00 3.31 3.14 0.00 0.00 7.28 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 0.00 164 F 8.49 3.96 0.00 3.20 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 0.00 165 L 8.12 4.34 0.00 1.94 1.71 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.60 3.94 2.10 0.00 0.00 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 1.66 1.16 1.08 0.00 0.00 167 N 7.38 4.28 0.00 2.53 2.74 0.00 0.00 7.05 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 0.00 168 K 8.58 4.01 0.00 0.84 1.53 0.00 1.42 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.38 7.81 169 K 7.29 4.49 0.00 1.92 1.94 0.00 2.09 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.46 7.81 170 N 8.27 4.38 0.00 2.79 2.83 0.00 0.00 7.19 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 0.00 171 L 8.02 4.19 0.00 1.63 1.48 0.52 0.38 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 0.00 172 Y 7.52 4.92 0.00 3.07 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 E 8.42 4.92 0.00 2.13 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 2.28 2.26 0.00 174 F 8.97 4.21 0.00 3.15 3.09 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 0.00 175 N 8.28 4.61 0.00 2.95 3.00 0.00 0.00 6.63 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 S 7.57 4.52 0.00 3.85 3.50 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 0.00 0.00 0.00 0.00 177 S 8.40 5.03 0.00 4.15 3.81 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 0.00 178 P 0.00 4.16 0.00 1.01 1.73 0.00 3.38 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 179 Y 7.36 4.98 0.00 3.03 2.92 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 0.00 180 E 8.93 4.72 0.00 2.17 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 2.28 2.35 0.00 181 T 7.83 5.14 4.34 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 1.36 0.00 0.00 182 G 8.48 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 Y 7.99 5.54 0.00 3.46 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 0.00 184 I 8.88 4.77 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.14 1.28 0.00 0.00 185 K 8.68 4.87 0.00 2.14 1.67 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.50 7.81 186 F 8.36 4.83 0.00 1.55 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 I 8.20 4.94 1.83 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 1.19 0.74 0.90 0.00 0.00 188 E 9.36 4.53 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 189 N 9.03 4.37 0.00 2.82 3.01 0.00 0.00 6.10 8.04 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 0.00 190 N 8.32 4.42 0.00 2.87 2.98 0.00 0.00 6.12 7.00 0.00 0.00 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 G 8.40 4.01 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 0.00 0.00 0.00 192 N 9.95 5.03 0.00 2.92 3.06 0.00 0.00 6.83 7.10 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 0.00 193 T 8.96 5.85 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 1.28 0.00 0.00 194 F 8.10 5.45 0.00 3.11 2.95 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 0.00 195 W 8.07 5.43 0.00 3.62 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 0.00 196 Y 8.54 4.86 0.00 3.19 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 0.00 197 D 8.87 5.05 0.00 3.03 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 0.00 198 M 8.98 4.89 0.00 2.13 2.31 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.56 0.00 199 M 8.36 4.98 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.76 0.00 200 P 0.00 4.32 0.00 1.07 1.18 0.00 3.72 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.10 0.00 201 A 8.21 3.68 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 0.00 202 P 0.00 4.63 0.00 2.13 2.07 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 203 G 8.44 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 0.00 204 D 8.49 4.77 0.00 2.72 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 K 7.84 4.85 0.00 1.79 1.78 0.00 1.72 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 1.39 1.47 7.81 206 F 8.78 4.66 0.00 2.67 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 0.00 207 D 7.89 4.52 0.00 2.61 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 0.00 208 Q 8.12 3.52 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.74 2.71 0.00 209 S 8.10 3.01 0.00 3.70 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 K 7.78 3.88 0.00 1.73 1.88 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.32 7.81 211 Y 7.66 3.95 0.00 3.00 2.92 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 0.00 212 L 7.61 4.08 0.00 1.96 1.98 1.26 1.69 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 0.00 213 M 6.99 2.55 0.00 1.57 1.70 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 214 M 7.14 3.81 0.00 1.68 1.63 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.41 0.00 215 Y 7.21 4.55 0.00 3.22 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 0.00 216 N 7.97 4.38 0.00 2.92 2.75 0.00 0.00 6.96 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 0.00 217 D 7.99 4.30 0.00 2.75 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 0.00 218 N 7.95 4.11 0.00 2.85 2.90 0.00 0.00 7.09 6.30 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 0.00 219 K 8.26 3.88 0.00 1.92 1.54 0.00 0.61 0.00 0.00 1.01 0.00 0.00 2.89 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.24 1.08 7.81 220 T 8.41 4.70 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 221 V 8.32 4.57 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 1.08 0.00 0.00 1.04 0.00 0.00 222 D 8.81 4.86 0.00 2.79 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 S 9.13 4.33 0.00 4.01 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 0.00 224 K 8.63 4.10 0.00 1.93 2.09 0.00 1.58 0.00 0.00 1.92 0.00 0.00 3.12 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.61 1.70 7.81 225 S 7.82 4.50 0.00 3.96 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 0.00 226 V 7.39 3.73 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 0.89 0.00 0.00 1.13 0.00 0.00 227 K 8.97 4.76 0.00 1.58 1.62 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.48 7.81 228 I 7.86 4.70 1.61 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.47 0.31 0.00 0.00 229 E 9.00 4.91 0.00 1.81 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 2.30 2.19 0.00 230 V 9.26 4.54 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 0.87 0.00 0.00 0.81 0.00 0.00 231 H 8.57 5.03 0.00 1.56 2.75 0.00 5.61 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 L 9.13 4.98 0.00 1.28 0.87 0.48 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 233 T 8.45 5.04 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 1.24 0.00 0.00 234 T 8.23 4.90 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 1.38 0.00 0.00 235 K 8.78 4.47 0.00 1.73 1.81 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.37 1.36 7.81 236 N 8.44 4.29 0.00 2.68 2.55 0.00 0.00 6.91 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 0.00 237 G 9.14 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.