NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4832 8.3193 115.3123 58.1510 63.7784 172.6208 3 F 5.0373 7.8653 121.1755 55.5775 41.5719 171.3699 4 T 4.8555 9.1661 117.0994 62.1278 71.4008 174.9988 5 V 4.8816 9.1888 126.4932 61.4045 33.8311 174.1769 6 I 4.8139 8.6770 129.1722 59.9983 39.4535 174.9548 7 I 5.1782 8.7138 129.0933 57.8001 38.1554 172.1429 8 P 4.5047 0.0000 0.0000 62.8079 32.2318 176.1278 9 A 4.6771 9.0965 132.1683 50.6871 16.6511 175.9939 10 R 3.9403 8.1385 116.3913 56.1564 29.5721 177.3739 11 F 4.4702 8.9379 126.7783 58.4519 40.0538 175.1429 12 A 4.7369 7.4408 122.1462 50.5496 20.8126 175.7059 13 S 4.5931 7.7719 112.4960 58.4606 64.7765 177.0297 14 S 4.5962 8.7356 119.7491 58.8911 63.4279 175.1323 15 R 4.5187 7.8011 117.1882 56.2756 32.9439 176.1071 16 L 4.6331 8.7875 120.4434 52.5211 42.4535 173.1840 17 P 4.0509 0.0000 0.0000 63.8841 32.3096 176.8434 18 G 2.9814 7.4215 109.6969 45.9758 0.0000 176.1730 19 K 3.8653 7.2702 120.3613 59.0164 32.8449 177.1259 20 P 4.2421 0.0000 0.0000 65.4466 31.1792 176.8983 21 L 4.3382 7.6548 113.8851 54.3539 41.8035 176.5777 22 A 3.9223 8.3943 123.6742 52.2100 18.4040 177.3711 23 D 4.3396 8.7297 123.1301 54.7706 41.7717 175.9004 24 I 4.2786 8.7795 129.7727 60.5145 38.5353 176.2363 25 K 3.9982 9.7718 130.3988 55.4547 28.8013 174.2994 26 G 4.1298 9.0156 109.3252 45.2942 0.0000 174.1572 27 K 4.6739 7.6474 118.8640 53.4938 36.2636 174.9738 28 P 5.3395 0.0000 0.0000 62.2707 30.9566 178.3729 *30 I 4.1149 8.4845 113.7656 60.8413 39.5516 177.0276 31 Q 3.3434 7.5366 120.7172 59.2028 28.6040 177.9234 32 H 4.1268 7.9655 116.7702 58.7837 28.7390 177.7704 33 V 3.6137 7.7925 119.4869 66.0553 31.5206 177.1176 34 F 4.0950 8.8005 120.5773 61.9819 39.1452 176.9123 35 E 3.9538 8.7730 117.8414 59.2922 29.0683 179.5518 36 K 3.8633 7.9107 117.4261 59.4462 32.4248 178.5667 37 A 4.1510 8.1761 121.1513 55.4957 18.3805 179.6313 38 L 3.7679 7.6453 117.0439 58.1158 41.4320 179.9169 39 Q 4.1075 8.3822 117.5099 58.5066 28.6414 178.5026 40 S 4.4070 7.9561 115.2411 60.0973 63.0010 175.1202 41 G 4.1538 7.5372 109.8190 45.2374 0.0000 173.6613 42 A 3.2055 7.1038 120.5945 51.7871 18.7020 178.6951 43 S 4.4724 7.6838 115.4658 59.5025 64.2170 174.8987 44 R 4.4818 7.4276 120.5190 54.9052 33.2973 173.5573 45 V 4.7456 8.5028 126.1016 61.2708 33.9660 174.2933 46 I 4.8248 9.0104 129.4425 59.6405 40.0705 174.7733 47 I 4.7653 8.8521 128.0914 60.3304 38.8582 174.4751 48 A 5.2942 8.3958 128.8143 49.8142 21.2391 175.1718 49 T 4.4757 8.1823 114.7855 61.8331 69.8225 172.6561 50 D 4.4922 8.7724 125.0021 55.3898 40.6057 176.6597 51 N 3.9903 7.7589 119.1665 53.5768 39.5362 174.9964 52 E 3.8876 8.6106 128.5622 59.3373 29.5906 178.6237 53 N 4.2206 8.0593 116.6167 56.7207 38.9195 176.7983 54 V 3.5498 7.8202 119.1874 65.8556 31.5133 177.4814 55 A 4.1255 7.8073 120.4542 55.4492 18.1606 179.0371 56 D 4.3412 7.9852 116.8855 57.6414 40.7425 179.1415 57 V 3.5207 7.6866 116.8399 66.1811 31.7055 177.2273 58 A 2.7509 8.5773 121.2019 55.0487 18.0924 179.4263 59 K 3.4972 8.4563 117.2992 59.7786 31.9811 179.5200 60 S 4.2555 7.9947 113.4626 60.4450 62.5971 175.5558 61 F 4.9053 7.2547 116.9222 56.0307 38.3373 175.4475 62 G 3.6601 8.2534 105.6351 47.1887 0.0000 174.1260 63 A 4.4515 7.1076 121.0135 50.1155 20.4515 177.4145 64 E 4.1580 8.7128 122.4970 56.0937 30.8677 175.4964 65 V 4.7506 8.3610 126.5148 61.2941 33.7629 174.3126 66 C 4.9214 8.6215 128.9440 58.7368 35.2247 172.4775 *68 T 4.1922 8.6412 108.9814 61.7060 69.5364 174.7879 69 S 4.2297 9.4330 121.6607 58.5044 62.7050 173.4201 70 V 3.8199 8.2427 122.4795 64.3534 32.2706 177.5071 71 N 4.6998 7.6347 120.0017 51.1161 36.0239 179.3124 72 H 5.0682 7.6188 116.7891 54.2454 32.6830 173.7278 73 N 4.7574 8.9142 120.5825 53.3907 40.1705 175.4277 74 S 4.8821 7.6612 111.9687 55.9205 66.2573 174.7481 75 G 3.6176 8.5314 114.3712 48.1807 0.0000 176.1730 76 T 3.5864 7.6871 120.0559 66.9070 68.1268 177.1079 77 E 3.8412 7.9787 121.0622 61.6347 29.9162 181.4602 78 R 3.8689 7.4650 121.4065 61.2977 29.6316 180.5176 79 L 4.0593 7.5729 119.5267 57.8396 41.7179 179.7283 80 A 3.8433 7.6934 120.3265 54.9627 18.2522 179.3181 81 E 3.8371 8.3183 118.3384 59.3323 29.7188 178.9570 82 V 3.5094 7.5947 117.7533 66.2288 31.5698 177.9585 83 V 3.6368 7.6262 111.4116 64.6569 31.4238 178.0977 84 E 3.8835 8.0225 118.3062 59.3678 29.3249 179.0038 85 K 3.9728 8.4409 118.1545 59.0994 32.3105 178.5463 86 L 4.2680 8.3820 116.1949 53.5085 42.6372 176.1771 87 A 3.7530 7.7067 121.1950 53.0809 16.5503 177.9649 88 I 3.9946 7.9164 121.7438 60.4895 38.4394 175.3981 89 P 4.3962 0.0000 0.0000 62.6893 31.7903 176.6995 90 D 4.5322 8.9929 121.5161 57.6220 40.8228 177.9543 91 N 5.1702 7.9026 114.1600 52.7949 38.2583 174.6313 92 E 4.4010 8.2705 121.7826 56.2995 31.2239 175.5037 93 I 4.4008 8.6201 128.2111 61.8120 38.6049 174.8734 94 I 5.1115 9.8986 128.3474 59.5814 40.5630 174.4381 95 V 5.2576 9.1026 127.5331 60.4476 33.9542 173.9850 96 N 5.3522 9.1003 127.1219 52.7064 39.4480 173.3782 97 I 4.5523 8.1675 127.5606 59.3953 39.6705 175.6824 98 Q 4.4113 8.7753 126.1731 55.7588 29.4235 177.7315 99 G 3.8120 8.7842 111.9791 47.5756 0.0000 173.8826 100 D 4.8409 8.1147 118.8070 53.0904 40.0001 175.8644 101 E 4.8174 7.7379 121.9603 54.1888 28.6053 174.6934 102 P 4.3992 0.0000 0.0000 64.5041 31.9175 178.0388 103 L 4.5125 7.6757 116.9624 53.9368 42.1227 175.9496 104 I 3.5519 7.4604 119.4476 60.6671 37.7626 173.5614 105 P 4.3393 0.0000 0.0000 62.2314 31.8249 174.6978 106 P 4.2793 0.0000 0.0000 65.8038 31.7375 178.6006 107 V 3.6291 8.1452 117.8714 65.2905 30.8937 178.0898 108 I 3.9654 7.5348 112.0548 62.8208 37.5216 178.3751 109 V 3.5389 8.1484 121.2971 66.0383 31.4070 177.9020 110 R 3.5174 7.8745 117.9065 58.8086 29.8828 178.1138 111 Q 3.8713 8.0414 119.8356 59.1277 29.2418 178.3657 112 V 3.4726 7.7809 119.0315 65.7702 30.0998 177.6465 113 A 3.8002 7.5492 120.4744 55.2745 17.9650 179.4335 114 D 4.3283 8.0010 117.1533 57.4846 40.8288 178.3752 115 N 4.3928 8.3731 117.4131 56.6805 38.5967 176.7032 116 L 3.8670 7.7302 120.6283 58.6592 41.9991 179.1055 117 A 4.0537 7.5971 118.1686 54.7634 18.1924 179.4281 118 K 3.6793 8.2202 118.1752 58.9528 32.3214 177.5014 119 F 4.5778 8.4790 114.7443 56.1885 39.6606 175.2672 120 N 4.1718 7.6898 117.8776 55.0931 37.2149 173.2284 121 V 4.6360 8.0310 110.4349 60.0026 35.9956 175.4196 122 N 4.8372 8.2628 116.1895 53.6013 39.6742 174.5763 *124 A 4.5373 7.9459 119.5132 52.2705 20.6018 176.5413 125 S 5.0259 8.7725 113.5702 56.1030 66.9145 171.7728 126 L 5.4419 8.1959 118.7155 52.4207 45.7129 175.1595 127 A 4.8934 7.9463 118.8514 51.5713 22.5400 175.4791 128 V 4.7633 8.9079 121.2908 60.0468 35.4905 175.7822 129 K 4.5408 8.5887 123.8237 55.2460 32.5222 175.5821 130 I 4.4264 8.1295 121.2971 60.4316 38.7606 175.3871 131 H 4.7107 8.8528 121.6150 56.1413 31.4288 173.7765 132 D 4.6545 7.8569 118.7909 52.4776 42.2410 175.8409 133 A 4.0826 9.1069 132.5763 56.7586 18.8166 180.1351 *134 E 3.8063 8.3581 112.8274 59.6955 30.6653 181.9071 135 E 4.1300 8.4673 120.4223 61.9413 29.4930 182.1958 136 L 4.2174 7.7435 121.6892 58.4236 40.7895 180.1996 137 F 4.9572 7.8275 113.4131 56.5287 39.6674 175.2126 138 N 4.6240 8.3917 120.1574 52.2356 38.3941 173.3450 139 P 5.0563 0.0000 0.0000 63.3010 31.0924 176.7193 140 N 4.8649 8.4438 116.5688 53.8768 41.0034 175.4160 141 A 4.2927 7.8778 122.9849 49.6697 17.3224 175.1089 142 V 3.7431 7.7318 119.8728 63.2817 32.1918 175.2923 143 K 5.3020 9.5028 127.8538 54.7030 34.6009 175.9402 144 V 4.3268 7.8849 119.8433 60.7575 33.8091 173.0208 145 L 4.7925 8.6379 123.1607 53.5967 45.7286 175.2537 146 T 4.7727 8.2412 114.5538 59.8149 72.7786 173.2140 147 D 4.8522 8.5393 121.5070 52.0274 41.6823 176.7068 148 K 3.9183 8.6962 117.0266 60.3317 32.3396 177.3393 149 D 4.5313 8.5586 117.6493 54.5729 41.4866 177.2521 150 G 3.6887 8.2459 108.0763 44.7119 0.0000 172.6028 151 Y 4.4738 7.7795 118.4255 56.8560 38.5681 174.9993 152 V 3.7177 8.4913 126.0566 63.9040 31.6404 175.4763 153 L 4.3636 9.6556 128.7934 56.1861 42.2809 176.2925 154 Y 4.7905 7.2998 116.3105 56.8546 42.0247 172.1195 155 F 5.0934 8.3126 124.2911 56.2874 41.1483 175.0126 156 S 4.4357 9.9434 115.8600 57.3829 65.6711 175.4443 157 R 3.9743 8.6959 124.3476 59.0706 30.3129 177.8069 158 S 4.2378 7.8322 110.7296 57.5952 63.0230 173.6508 159 V 3.6525 8.1953 126.3344 63.0300 31.6381 175.5005 160 I 4.4975 8.0197 119.6081 58.9298 40.1206 172.7698 161 P 4.3980 0.0000 0.0000 63.3292 32.0907 175.4394 *162 Y 4.6119 8.0118 116.8819 55.1430 38.4266 174.5568 163 D 4.8192 8.5705 124.2393 53.2989 42.3977 177.9544 164 R 3.8576 8.7494 125.5721 59.6745 29.5960 173.8676 165 D 4.5197 8.2813 119.6458 58.0240 41.5459 179.1291 166 Q 4.0121 8.8120 120.0069 57.5066 27.5099 180.0682 *167 F 4.0892 5.7673 116.6614 58.8512 39.3665 178.8707 *178 L 4.2137 7.6441 119.2592 55.3323 42.8933 177.5938 179 S 4.5111 8.6244 127.2118 58.2554 63.2466 174.1004 180 D 4.8981 8.4942 127.3719 53.6294 39.9024 177.3170 181 A 4.3753 8.1766 120.3176 53.5521 18.5738 177.1027 182 Y 4.7301 7.5608 115.5706 57.2060 39.8810 175.4523 183 L 4.9728 8.5745 124.5783 53.6015 46.0548 175.9728 184 R 4.9004 9.1716 123.6472 55.4628 31.3724 173.9886 185 H 4.9763 9.1501 125.7761 54.9321 30.8459 174.4877 186 I 4.4100 7.8607 117.7564 57.8543 40.0860 177.5294 187 G 3.7445 8.3801 117.1684 45.5945 0.0000 173.8718 188 I 4.4040 7.1154 119.4455 59.3263 40.9727 174.1319 189 Y 5.1719 8.7205 126.2474 56.0435 41.6518 174.4949 190 A 5.1852 8.8056 122.8089 50.5705 21.1581 175.3412 191 Y 5.8634 9.4720 119.8976 55.0376 42.8969 175.3066 192 R 4.3988 8.8397 119.5692 56.1176 31.4555 177.6493 193 A 4.1082 9.0419 125.5543 55.4629 18.3496 180.3841 194 G 3.7519 9.1395 105.1074 48.2166 0.0000 175.4585 195 F 4.1564 7.9293 122.3939 61.0279 39.2760 177.0354 196 I 3.3110 7.5949 119.0174 64.2588 36.5908 178.4410 197 K 3.7373 7.6566 117.6083 59.3871 32.1465 178.7370 198 Q 3.6060 7.3167 119.5586 59.0973 28.8387 176.9277 199 Y 2.9681 7.0647 123.0929 61.5981 38.4298 179.5665 200 V 3.6210 7.1228 119.0365 65.5272 31.7649 179.3373 201 Q 4.2862 7.6302 115.7623 56.3794 29.3862 175.3443 202 W 4.9787 7.4745 119.2401 55.6251 30.6716 176.0225 203 A 4.3144 8.5341 124.8523 51.1411 18.5992 175.3370 204 P 4.5511 0.0000 0.0000 63.2035 32.1534 176.9090 205 T 4.4945 8.7526 115.9664 60.9348 72.3762 174.4792 206 Q 3.8201 8.5452 126.8071 59.6015 28.9603 178.7154 207 L 3.8837 7.7070 120.2844 58.4712 41.8678 178.6178 208 E 4.0776 7.9311 118.3643 59.2528 29.4769 178.1391 209 N 4.3713 8.5082 118.4932 57.4830 38.6932 177.3382 210 L 4.1384 8.2487 125.3257 60.2948 41.0697 180.9195 *211 E 4.3404 8.3072 118.7605 57.7579 30.5208 178.8165 212 K 4.0291 8.3579 116.2548 58.4617 29.9696 176.6915 213 L 4.5794 7.6537 120.5254 53.4077 44.2341 178.2482 214 E 4.1343 8.8426 121.6563 58.6404 30.2208 176.3723 215 Q 4.2422 8.1899 117.5701 59.4229 28.2102 178.6715 216 L 4.1829 7.7280 120.2361 56.9628 41.3599 179.1250 217 R 3.9414 8.3331 118.6807 58.7059 30.2280 178.3700 218 V 3.7898 7.8555 118.5917 65.8037 31.6790 177.6430 219 L 4.0064 8.0975 118.2754 58.3768 41.3233 178.7779 220 Y 4.1386 8.1441 117.8931 60.5304 38.6037 176.9591 221 N 4.2686 7.4510 115.2104 51.9730 38.8874 175.0367 222 G 3.7540 8.0462 108.0969 46.8416 0.0000 173.8280 223 E 4.6181 8.1693 121.3629 54.3056 31.7614 175.8304 224 R 4.2622 8.5445 124.8167 56.0748 30.4963 172.7759 225 I 4.7603 8.3466 122.7288 58.8544 40.9609 173.8375 226 H 5.0003 8.7716 125.1104 54.3928 32.0823 172.4118 227 V 4.8734 7.7456 125.8172 60.3806 33.3447 174.3191 228 E 4.5592 8.2431 126.6447 53.8629 33.9694 173.9892 229 L 4.6023 8.4667 125.2891 54.3537 42.2528 176.0720 230 A 3.9306 9.0086 128.5618 52.5652 19.0466 178.0875 231 K 4.2100 9.0710 120.5671 56.9285 32.3896 176.7107 232 E 4.6430 7.2687 116.5274 55.2626 32.9112 175.0367 233 V 3.8578 8.3644 125.1232 61.3486 32.1833 173.8410 234 P 4.3372 0.0000 0.0000 62.0008 31.7631 176.1644 235 A 4.1001 8.4626 126.2710 51.7257 18.9777 177.1070 236 V 3.7095 8.1641 120.1093 62.3418 32.2499 176.3580 237 G 3.6587 8.5145 114.8032 45.3253 0.0000 173.6357 238 V 3.6352 7.9085 124.9956 63.8561 31.8448 175.6704 239 D 4.6557 8.4044 120.7538 53.7031 44.5447 174.5161 240 T 4.7151 7.4777 107.7620 60.0448 73.4971 173.9395 241 A 4.1942 8.5312 123.8171 55.0920 18.4636 180.3197 242 E 3.9262 8.0262 116.9641 61.3445 29.9587 183.4074 243 D 4.5497 8.1483 120.3356 57.1232 40.8387 178.5581 244 L 3.9057 7.9511 120.6929 58.2949 41.7554 179.0067 245 E 3.9943 8.0000 119.7365 59.9403 29.6953 179.7364 246 K 4.1033 8.4017 124.0978 59.8827 31.5499 180.7966 247 V 3.7861 8.1648 118.8660 65.9753 31.4411 177.8543 248 R 4.1049 8.1097 113.7509 57.0813 29.7301 176.5517 249 A 4.3237 8.0131 128.0352 52.1924 19.2312 176.6008 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 8.32 4.48 0.00 3.86 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 3 F 7.87 5.04 0.00 3.30 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.17 4.86 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 5 V 9.19 4.88 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 0.99 0.00 0.00 1.08 0.00 0.00 6 I 8.68 4.81 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.29 0.95 0.00 0.00 7 I 8.71 5.18 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 2.11 1.05 0.00 0.00 8 P 0.00 4.50 0.00 2.12 2.04 0.00 3.82 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 9 A 9.10 4.68 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 10 R 8.14 3.94 0.00 1.84 1.81 0.00 3.26 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 11 F 8.94 4.47 0.00 2.97 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.44 4.74 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 13 S 7.77 4.59 0.00 3.80 3.67 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 0.00 0.00 0.00 0.00 14 S 8.74 4.60 0.00 3.89 3.88 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 15 R 7.80 4.52 0.00 1.92 1.92 0.00 3.34 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 16 L 8.79 4.63 0.00 1.63 1.43 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.05 0.00 1.97 1.88 0.00 3.76 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 18 G 7.42 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 0.00 0.00 0.00 19 K 7.27 3.87 0.00 1.96 2.18 0.00 1.32 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.34 1.40 7.81 20 P 0.00 4.24 0.00 2.34 2.38 0.00 3.34 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.42 0.00 21 L 7.65 4.34 0.00 1.67 1.77 1.09 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.39 3.92 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 23 D 8.73 4.34 0.00 2.66 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 24 I 8.78 4.28 1.92 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 1.15 1.62 0.81 0.00 0.00 25 K 9.77 4.00 0.00 1.90 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 0.98 7.81 26 G 9.02 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 27 K 7.65 4.67 0.00 1.39 1.34 0.00 1.42 0.00 0.00 1.51 0.00 0.00 2.96 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.22 1.25 7.81 28 P 0.00 5.34 0.00 2.23 1.73 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.97 0.00 *30 I 8.48 4.11 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.38 1.14 0.00 0.00 31 Q 7.54 3.34 0.00 0.93 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.57 0.00 0.00 0.00 0.00 0.00 1.96 1.61 0.00 32 H 7.97 4.13 0.00 3.21 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.79 3.61 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 1.04 0.00 0.00 34 F 8.80 4.09 0.00 3.29 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.77 3.95 0.00 2.08 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 2.44 2.62 0.00 36 K 7.91 3.86 0.00 1.91 1.90 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.73 1.64 7.81 37 A 8.18 4.15 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 38 L 7.65 3.77 0.00 1.72 1.64 0.84 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.38 4.11 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 40 S 7.96 4.41 0.00 4.20 4.09 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 41 G 7.54 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.10 3.21 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 7.68 4.47 0.00 3.67 3.85 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 44 R 7.43 4.48 0.00 1.80 1.68 0.00 3.11 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 45 V 8.50 4.75 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.70 0.00 0.00 46 I 9.01 4.82 1.92 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 1.26 0.65 0.97 0.00 0.00 47 I 8.85 4.77 1.87 0.00 0.00 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 1.29 1.29 0.96 0.00 0.00 48 A 8.40 5.29 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.18 4.48 4.25 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 1.22 0.00 0.00 50 D 8.77 4.49 0.00 2.74 2.88 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 51 N 7.76 3.99 0.00 2.24 2.40 0.00 0.00 7.23 7.12 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 52 E 8.61 3.89 0.00 1.94 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 2.34 2.26 0.00 53 N 8.06 4.22 0.00 2.73 2.92 0.00 0.00 6.83 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 54 V 7.82 3.55 2.13 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 1.02 0.00 0.00 0.95 0.00 0.00 55 A 7.81 4.13 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 56 D 7.99 4.34 0.00 2.83 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 57 V 7.69 3.52 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 1.03 0.00 0.00 1.05 0.00 0.00 58 A 8.58 2.75 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 59 K 8.46 3.50 0.00 1.78 1.76 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.56 7.81 60 S 7.99 4.26 0.00 3.97 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 61 F 7.25 4.91 0.00 3.04 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.25 3.66 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 0.00 0.00 0.00 63 A 7.11 4.45 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 64 E 8.71 4.16 0.00 2.10 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 2.39 2.31 0.00 65 V 8.36 4.75 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 0.78 0.00 0.00 0.80 0.00 0.00 66 C 8.62 4.92 0.00 3.01 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 *68 T 8.64 4.19 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 1.27 0.00 0.00 69 S 9.43 4.23 0.00 3.60 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.24 3.82 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 0.80 0.00 0.00 0.91 0.00 0.00 71 N 7.63 4.70 0.00 2.76 2.68 0.00 0.00 6.47 7.90 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 72 H 7.62 5.07 0.00 3.06 3.13 0.00 5.64 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 73 N 8.91 4.76 0.00 2.70 2.86 0.00 0.00 6.85 7.57 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 74 S 7.66 4.88 0.00 3.82 3.59 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 75 G 8.53 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 76 T 7.69 3.59 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 0.05 0.00 0.00 77 E 7.98 3.84 0.00 2.06 1.88 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 2.23 1.95 0.00 78 R 7.46 3.87 0.00 1.77 1.97 0.00 3.26 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 79 L 7.57 4.06 0.00 1.64 1.56 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.69 3.84 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 81 E 8.32 3.84 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 82 V 7.59 3.51 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.92 0.00 0.00 83 V 7.63 3.64 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 0.75 0.00 0.00 0.90 0.00 0.00 84 E 8.02 3.88 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 85 K 8.44 3.97 0.00 1.70 1.85 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.58 7.81 86 L 8.38 4.27 0.00 1.75 1.70 0.91 0.87 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 87 A 7.71 3.75 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.92 3.99 1.87 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 1.36 0.58 0.94 0.00 0.00 89 P 0.00 4.40 0.00 2.23 2.19 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 90 D 8.99 4.53 0.00 2.83 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 91 N 7.90 5.17 0.00 2.76 2.94 0.00 0.00 5.94 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 92 E 8.27 4.40 0.00 2.18 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 2.32 2.40 0.00 93 I 8.62 4.40 2.06 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 1.41 0.50 0.97 0.00 0.00 94 I 9.90 5.11 2.15 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.33 1.07 0.00 0.00 95 V 9.10 5.26 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 1.27 0.00 0.00 0.87 0.00 0.00 96 N 9.10 5.35 0.00 3.09 3.00 0.00 0.00 7.08 7.94 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 97 I 8.17 4.55 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.13 0.96 0.00 0.00 98 Q 8.78 4.41 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 99 G 8.78 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 0.00 0.00 0.00 100 D 8.11 4.84 0.00 3.04 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 0.00 101 E 7.74 4.82 0.00 2.07 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 2.24 2.23 0.00 102 P 0.00 4.40 0.00 2.13 2.19 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 103 L 7.68 4.51 0.00 1.63 1.70 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.46 3.55 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.75 0.98 0.00 0.00 105 P 0.00 4.34 0.00 2.25 2.41 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 106 P 0.00 4.28 0.00 2.21 2.16 0.00 3.64 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 107 V 8.15 3.63 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 0.88 0.00 0.00 0.93 0.00 0.00 108 I 7.53 3.97 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 1.53 0.79 1.02 0.00 0.00 109 V 8.15 3.54 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 1.11 0.00 0.00 1.06 0.00 0.00 110 R 7.87 3.52 0.00 2.13 2.03 0.00 3.26 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 111 Q 8.04 3.87 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 112 V 7.78 3.47 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.90 0.00 0.00 113 A 7.55 3.80 0.50 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 0.00 0.00 114 D 8.00 4.33 0.00 2.85 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 N 8.37 4.39 0.00 2.89 2.85 0.00 0.00 6.66 7.35 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 0.00 116 L 7.73 3.87 0.00 1.79 1.85 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 117 A 7.60 4.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.22 3.68 0.00 1.70 1.93 0.00 1.72 0.00 0.00 1.43 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.55 1.10 7.81 119 F 8.48 4.58 0.00 2.83 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 0.00 120 N 7.69 4.17 0.00 2.76 2.87 0.00 0.00 6.85 8.34 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 0.00 121 V 8.03 4.64 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 1.06 0.00 0.00 1.06 0.00 0.00 122 N 8.26 4.84 0.00 2.06 2.32 0.00 0.00 6.67 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 *124 A 7.95 4.54 1.23 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 0.00 0.00 125 S 8.77 5.03 0.00 3.45 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 0.00 126 L 8.20 5.44 0.00 1.51 1.48 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.95 4.89 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 0.00 128 V 8.91 4.76 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 0.74 0.00 0.00 0.92 0.00 0.00 129 K 8.59 4.54 0.00 1.57 1.63 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.04 7.81 130 I 8.13 4.43 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 1.32 1.05 0.85 0.00 0.00 131 H 8.85 4.71 0.00 3.08 3.31 0.00 5.88 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 D 7.86 4.65 0.00 2.76 2.54 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 0.00 133 A 9.11 4.08 1.42 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 0.00 0.00 *134 E 8.36 3.81 0.00 1.91 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 2.32 1.94 0.00 135 E 8.47 4.13 0.00 2.01 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 2.25 2.23 0.00 136 L 7.74 4.22 0.00 1.74 1.64 0.92 0.71 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 0.00 137 F 7.83 4.96 0.00 3.00 3.15 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 0.00 138 N 8.39 4.62 0.00 2.82 2.89 0.00 0.00 6.91 7.57 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 0.00 139 P 0.00 5.06 0.00 2.22 2.15 0.00 3.53 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 140 N 8.44 4.86 0.00 2.90 2.86 0.00 0.00 6.77 6.78 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 0.00 141 A 7.88 4.29 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.73 3.74 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 1.14 0.00 0.00 0.99 0.00 0.00 143 K 9.50 5.30 0.00 1.77 1.85 0.00 1.84 0.00 0.00 1.98 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.34 7.81 144 V 7.88 4.33 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 0.55 0.00 0.00 0.10 0.00 0.00 145 L 8.64 4.79 0.00 1.66 1.39 0.81 0.56 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 0.00 146 T 8.24 4.77 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 1.03 0.00 0.00 147 D 8.54 4.85 0.00 2.89 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.70 3.92 0.00 1.90 2.01 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.53 7.81 149 D 8.56 4.53 0.00 3.23 2.96 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 0.00 150 G 8.25 3.69 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 0.00 0.00 0.00 151 Y 7.78 4.47 0.00 3.23 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 0.00 152 V 8.49 3.72 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 0.00 0.00 0.68 0.00 0.00 153 L 9.66 4.36 0.00 1.71 1.70 0.89 0.73 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 0.00 154 Y 7.30 4.79 0.00 2.91 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 F 8.31 5.09 0.00 2.61 2.79 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 0.00 0.00 0.00 0.00 156 S 9.94 4.44 0.00 3.79 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 0.00 157 R 8.70 3.97 0.00 1.87 1.99 0.00 3.68 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 158 S 7.83 4.24 0.00 3.89 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 0.00 159 V 8.20 3.65 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 0.46 0.00 0.00 0.85 0.00 0.00 160 I 8.02 4.50 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.56 1.00 0.00 0.00 161 P 0.00 4.40 0.00 2.03 1.94 0.00 2.86 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.56 0.00 *162 Y 8.01 4.61 0.00 2.34 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 0.00 0.00 0.00 0.00 163 D 8.57 4.82 0.00 2.78 2.65 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 0.00 164 R 8.75 3.86 0.00 1.87 1.83 0.00 3.34 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 165 D 8.28 4.52 0.00 2.92 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 0.00 166 Q 8.81 4.01 0.00 2.07 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 *167 F 5.77 4.09 0.00 2.46 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *178 L 7.64 4.21 0.00 1.69 1.61 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 179 S 8.62 4.51 0.00 4.14 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 0.00 180 D 8.49 4.90 0.00 2.91 2.96 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 0.00 181 A 8.18 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 Y 7.56 4.73 0.00 2.73 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 0.00 183 L 8.57 4.97 0.00 1.65 1.47 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 184 R 9.17 4.90 0.00 1.45 1.80 0.00 3.26 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 185 H 9.15 4.98 0.00 3.22 3.46 0.00 5.86 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 I 7.86 4.41 1.78 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 1.13 0.71 0.86 0.00 0.00 187 G 8.38 3.74 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 0.00 0.00 0.00 188 I 7.12 4.40 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.47 0.79 0.00 0.00 189 Y 8.72 5.17 0.00 2.60 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 A 8.81 5.19 1.12 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 0.00 0.00 191 Y 9.47 5.86 0.00 2.89 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 R 8.84 4.40 0.00 1.96 2.14 0.00 3.37 0.00 0.00 3.43 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 193 A 9.04 4.11 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 0.00 194 G 9.14 3.75 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 0.00 0.00 0.00 195 F 7.93 4.16 0.00 3.36 3.37 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 0.00 196 I 7.59 3.31 1.81 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.08 0.51 0.00 0.00 197 K 7.66 3.74 0.00 1.70 1.74 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.69 7.81 198 Q 7.32 3.61 0.00 1.72 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.16 2.38 0.00 199 Y 7.06 2.97 0.00 2.02 2.45 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 0.00 200 V 7.12 3.62 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 0.81 0.00 0.00 0.93 0.00 0.00 201 Q 7.63 4.29 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 202 W 7.47 4.98 0.00 3.65 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 0.00 203 A 8.53 4.31 1.31 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 0.00 0.00 204 P 0.00 4.55 0.00 2.06 2.04 0.00 3.66 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 2.05 2.15 0.00 205 T 8.75 4.49 4.35 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 0.93 0.00 0.00 206 Q 8.55 3.82 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 207 L 7.71 3.88 0.00 1.70 1.49 1.09 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 208 E 7.93 4.08 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 2.40 2.54 0.00 209 N 8.51 4.37 0.00 2.86 2.87 0.00 0.00 6.95 7.77 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 0.00 210 L 8.25 4.14 0.00 1.72 1.51 0.92 0.82 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 *211 E 8.31 4.34 0.00 2.06 1.88 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 2.26 2.22 0.00 212 K 8.36 4.03 0.00 1.90 1.94 0.00 1.64 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.55 7.81 213 L 7.65 4.58 0.00 1.67 1.49 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 214 E 8.84 4.13 0.00 1.89 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 2.31 1.87 0.00 215 Q 8.19 4.24 0.00 1.98 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 1.71 1.16 0.00 216 L 7.73 4.18 0.00 1.88 1.91 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 217 R 8.33 3.94 0.00 2.23 2.17 0.00 3.37 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.50 0.00 218 V 7.86 3.79 2.34 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 1.28 0.00 0.00 0.74 0.00 0.00 219 L 8.10 4.01 0.00 1.93 1.87 1.23 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 220 Y 8.14 4.14 0.00 2.95 2.96 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 0.00 221 N 7.45 4.27 0.00 1.44 1.73 0.00 0.00 7.00 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 0.00 222 G 8.05 3.75 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 0.00 0.00 0.00 223 E 8.17 4.62 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 224 R 8.54 4.26 0.00 1.87 1.71 0.00 3.26 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 225 I 8.35 4.76 2.02 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.66 1.13 0.00 0.00 226 H 8.77 5.00 0.00 2.98 2.97 0.00 5.63 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 V 7.75 4.87 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.85 0.00 0.00 228 E 8.24 4.56 0.00 1.84 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 2.21 2.20 0.00 229 L 8.47 4.60 0.00 1.64 1.54 0.90 1.01 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 0.00 230 A 9.01 3.93 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 0.00 231 K 9.07 4.21 0.00 1.77 1.86 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.50 7.81 232 E 7.27 4.64 0.00 1.87 1.74 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 2.14 2.15 0.00 233 V 8.36 3.86 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 0.87 0.00 0.00 0.93 0.00 0.00 234 P 0.00 4.34 0.00 2.20 2.04 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 235 A 8.46 4.10 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 0.00 236 V 8.16 3.71 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 0.81 0.00 0.00 0.93 0.00 0.00 237 G 8.51 3.66 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 0.00 0.00 0.00 238 V 7.91 3.64 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 239 D 8.40 4.66 0.00 2.68 2.56 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 0.00 240 T 7.48 4.72 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 0.00 241 A 8.53 4.19 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 242 E 8.03 3.93 0.00 1.99 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 2.31 1.96 0.00 243 D 8.15 4.55 0.00 2.84 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 0.00 244 L 7.95 3.91 0.00 1.97 1.87 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 245 E 8.00 3.99 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 2.48 2.46 0.00 246 K 8.40 4.10 0.00 1.72 1.82 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.32 7.81 247 V 8.16 3.79 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.98 0.00 0.00 248 R 8.11 4.10 0.00 1.93 1.94 0.00 3.34 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 249 A 8.01 4.32 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.