NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2782 8.2549 119.7069 56.1309 31.4280 173.9803 3 R 4.5534 8.0184 118.5022 53.0744 33.3554 173.6795 4 T 4.0560 8.4501 112.7859 62.8155 68.6017 172.3765 5 V 4.1389 8.7701 128.7047 62.9022 31.6987 175.1368 6 R 4.3346 9.5140 126.8154 57.1691 33.3118 174.3797 7 Y 5.8650 8.0215 116.2544 55.5525 40.5252 174.7982 8 I 4.9235 8.5048 124.6582 59.3901 40.5859 174.1132 9 L 5.0650 9.2582 129.6806 54.0727 43.3498 175.1845 10 A 5.9400 9.3860 127.3561 50.0718 23.3341 174.1989 11 T 4.8527 8.1833 112.6974 61.8314 71.1476 171.6463 12 S 4.9232 8.3240 117.3088 56.2848 66.8887 172.9955 13 N 4.6419 8.5885 116.7076 52.8814 39.1810 172.2953 14 P 4.2022 0.0000 0.0000 64.1474 30.5330 178.5930 *16 G 3.8067 9.1782 104.7681 44.5706 0.0000 174.4928 17 D 4.6226 7.9657 120.9225 52.9953 38.3321 175.9020 18 L 3.9175 8.0080 124.2282 57.4036 42.0812 178.2056 19 E 3.8716 8.1469 118.3529 59.3022 29.6360 178.6464 20 A 4.0453 8.1212 120.4290 54.7940 18.4128 179.3626 21 L 3.8456 7.8230 119.0535 58.2783 42.1586 179.0206 22 E 3.8882 8.3669 118.7361 59.4439 29.3787 179.5273 23 K 3.9417 7.9652 118.3409 59.3462 31.8828 179.0211 24 F 3.9532 8.5293 120.1109 61.3536 39.6759 177.1113 25 V 3.5131 8.3600 117.9930 65.8991 31.1842 178.1475 26 K 4.0066 8.2703 116.9043 58.8673 32.0579 178.7671 27 L 4.0312 7.6411 118.9762 56.7724 41.2833 178.6219 28 A 3.6845 7.3849 120.8452 54.8739 18.0973 177.7926 29 P 4.2119 0.0000 0.0000 66.2669 31.0653 178.2639 30 D 4.3052 7.8841 117.1109 56.9696 40.8678 177.8466 31 T 4.1155 7.7627 112.2792 62.2711 67.4078 175.1286 32 G 3.7206 7.4971 107.8141 46.1929 0.0000 173.6495 33 A 4.1908 7.3359 120.6752 52.2674 18.7763 178.2827 34 D 4.7643 9.0274 120.7970 55.6464 42.2947 176.2107 35 A 4.4687 7.4491 118.1935 50.9444 22.9598 174.8782 36 I 5.2816 8.6602 119.0014 59.6066 41.3174 174.8929 37 A 5.4401 9.2573 127.4347 50.1674 22.3190 174.6437 38 L 5.3103 9.4142 124.0525 53.4516 45.7812 175.1761 39 I 4.7986 8.4444 126.6723 59.3661 40.0201 176.0126 40 G 3.9918 8.3192 113.0210 45.8578 0.0000 172.5411 41 N 4.8056 8.9492 117.4965 53.1945 38.8962 177.0219 42 L 3.8388 8.3906 122.3017 56.2109 42.3443 175.3520 *44 P 4.1721 0.0000 0.0000 61.7160 32.3880 176.9608 45 K 4.2426 9.0876 119.5426 58.9037 32.0508 177.9503 46 A 4.0285 7.9972 119.8692 54.6830 18.5359 177.5904 47 A 4.1844 7.4316 117.6421 52.7241 18.9400 176.2620 48 K 5.0871 9.9729 118.2335 52.7142 36.3320 177.6599 49 S 4.3649 9.1309 115.1588 62.5005 62.5556 177.3851 50 R 3.9814 8.1902 117.6275 59.4398 28.8758 178.4288 51 D 4.3021 8.3831 120.1186 57.5003 40.8646 178.2468 52 Y 3.7507 7.9375 116.5781 60.5464 37.9155 177.9368 53 A 4.1730 8.4993 121.9327 55.2898 18.6660 179.5543 54 A 3.9560 8.0354 119.2243 55.1050 18.4194 179.5271 55 F 3.8180 8.1057 119.1251 61.6618 39.4966 177.5363 56 F 4.5121 8.6066 117.6063 60.3688 38.3946 177.7774 57 R 3.9440 7.9048 118.0664 59.4128 30.2854 178.3447 58 I 3.9332 7.5875 119.3297 64.2877 37.1351 178.1818 59 L 3.9298 7.9062 121.5038 57.9972 41.4663 178.9644 60 S 4.2165 8.2388 113.6559 60.5993 62.6794 175.6560 61 E 4.0822 7.7663 120.5348 57.9841 29.2667 178.2414 62 A 4.0012 7.7170 121.1425 53.2285 18.8202 177.1936 63 H 4.0329 7.7868 111.2140 56.8572 26.7678 174.6136 64 L 4.7908 7.5811 115.7623 51.9283 45.9942 174.8641 65 P 4.4772 0.0000 0.0000 63.7966 32.2109 175.5554 66 T 5.4373 9.0520 120.1671 62.0454 72.3212 173.2380 67 A 5.5227 9.8847 127.7760 49.5450 22.5313 174.3396 68 Y 6.0118 7.3339 116.6625 56.3346 42.1077 173.9293 69 V 4.9856 8.3979 112.2641 58.9360 36.4132 173.5453 70 P 4.3660 0.0000 0.0000 62.7460 33.0505 175.5710 71 G 4.0589 9.4600 109.5020 43.9016 0.0000 172.8921 72 P 4.4182 0.0000 0.0000 65.2418 31.5722 178.3464 73 Q 4.2130 9.2925 116.6240 56.4824 29.6560 175.6683 74 D 5.5165 7.8640 119.2981 53.3918 39.6733 175.4926 75 A 4.8395 7.2300 121.1857 49.1285 22.5754 174.8478 76 P 4.5353 0.0000 0.0000 62.2651 32.4979 177.1964 77 I 3.4420 8.3974 121.0417 64.4565 37.7007 178.3778 78 W 4.5486 7.6250 118.5048 59.2772 28.5153 178.2883 79 E 4.0078 8.0526 118.9633 59.3411 29.0645 178.1572 80 Y 3.2726 7.5539 118.9793 60.4024 38.6618 177.8034 81 L 3.6894 7.9276 120.9333 58.1862 42.1487 178.8892 82 R 3.8123 8.0832 118.4998 59.5991 30.0892 178.2635 83 E 4.0568 8.2939 117.7699 58.6000 29.4065 179.2414 84 A 2.8470 7.6671 121.1040 54.6146 18.3153 179.1839 85 A 3.8345 8.3622 120.0949 55.5044 18.1805 179.3813 86 N 4.2388 8.0818 113.7889 56.7151 38.9238 177.8325 87 V 3.8048 7.6347 120.1522 64.7928 31.2802 177.9514 88 E 4.3925 8.0485 119.3588 57.6434 29.3052 178.7820 89 L 4.1142 7.4169 119.0801 57.5765 41.9227 178.5378 90 V 4.1627 7.5577 107.6033 61.6701 32.5459 176.0767 91 H 4.9449 7.7733 117.3555 53.1746 28.5626 172.4022 92 P 4.4731 0.0000 0.0000 64.4514 32.4737 177.9955 93 E 4.1708 7.8649 119.6908 55.8531 28.9371 176.9023 *95 R 3.9620 7.6839 118.3525 56.7302 31.2519 173.2252 96 N 4.2133 8.5004 124.7085 53.2819 39.2466 174.7576 97 V 3.9799 8.2894 118.4206 60.9893 32.0116 174.9888 98 H 4.1135 8.1403 121.0984 57.6435 29.5765 175.2590 99 E 3.7127 8.8720 125.4806 56.9106 28.3445 174.5401 100 T 4.3788 7.3946 116.4288 61.1040 68.4009 171.5848 101 F 4.8843 7.7450 114.1516 56.9576 40.5331 172.9204 102 T 4.2150 8.2984 112.8482 61.1925 71.2136 171.6692 103 F 5.4344 8.6558 122.6928 55.5318 41.5287 175.2509 104 W 5.3531 9.2607 122.5254 54.6215 32.6256 175.8038 105 R 4.3549 9.0082 121.6003 56.5287 29.9585 177.0104 106 G 4.0443 8.1955 121.8725 45.6718 0.0000 171.2619 107 P 4.9522 0.0000 0.0000 61.2686 33.1068 174.5485 108 Y 4.9602 8.7214 116.5750 56.2731 41.9214 174.4263 109 L 4.3517 9.1363 126.9924 54.0908 43.3196 175.1524 110 V 4.5176 8.3798 127.8687 61.3299 33.1835 174.6138 111 A 4.9078 8.6648 128.3028 51.0212 23.3772 174.3922 112 G 3.8800 7.7387 105.3130 45.7169 0.0000 173.1513 113 V 4.3103 8.1015 119.7010 61.6058 33.3719 174.8036 114 G 3.8123 8.8556 120.3396 45.7412 0.0000 171.8544 115 G 3.8183 8.3073 110.5147 44.7376 0.0000 171.7827 116 E 4.2495 8.5779 120.4446 55.5411 30.7715 176.2594 117 I 4.6514 8.6443 129.0273 60.1518 37.8536 175.0623 118 A 4.6590 8.5999 129.5459 50.2295 21.1248 177.0476 119 D 4.4750 8.9079 120.4692 57.4108 41.1199 176.3259 120 E 4.3878 7.8885 113.3205 55.9601 31.3836 173.0350 121 G 3.8460 9.0225 104.7559 45.0121 0.0000 171.9933 122 E 4.7308 8.1050 117.0453 54.2925 31.1622 175.0181 123 P 4.5486 0.0000 0.0000 62.7133 32.4379 175.5470 124 E 4.6328 8.9947 123.8410 54.7113 33.1451 175.4864 125 E 4.9254 8.6435 121.4762 55.2427 32.5048 176.0762 126 H 4.4666 8.4951 115.5217 57.4794 30.1397 175.8344 127 E 4.1602 8.4142 115.8766 57.3222 30.0038 175.6487 128 A 4.1179 7.0286 119.9976 51.6933 21.7551 174.4347 129 L 4.5922 8.2490 119.9091 53.1627 43.5470 176.3248 130 R 4.7739 8.7309 125.2222 54.5669 33.7665 173.3368 131 Y 5.0226 9.3302 124.3633 55.2122 41.5519 173.8710 132 P 4.7369 0.0000 0.0000 62.1630 32.5066 176.8762 133 A 3.9712 8.8472 122.3900 55.4160 18.2115 180.3391 134 W 4.2522 8.2999 114.2578 59.3472 28.0208 178.6961 135 V 3.0002 6.9960 119.2900 65.4698 30.8116 177.5322 136 A 3.8150 7.7685 120.0424 55.3375 18.0325 179.0079 137 E 3.9574 8.4684 117.8240 59.7150 29.5028 178.4442 138 Y 4.1031 7.8471 118.0925 60.5380 39.2696 177.9412 139 R 3.9860 7.9939 119.2166 59.2760 30.2572 179.0350 140 L 3.8744 7.6075 118.6852 56.9016 41.5141 179.4190 141 K 4.0855 7.8249 118.4818 59.4220 32.5273 178.9554 142 A 3.9733 7.4139 121.2785 54.8954 18.1411 179.4303 143 L 3.6892 7.6111 117.6413 57.4390 41.3451 179.3698 144 W 4.6047 7.4445 117.3870 59.1126 28.9846 177.6372 145 E 4.3304 8.0160 117.5205 56.9409 29.0911 176.4793 146 L 4.6229 7.4398 119.6390 53.1852 42.6091 176.1141 147 K 4.5043 8.7808 123.4072 56.3305 33.5108 175.9863 148 D 4.3844 8.5996 120.4666 55.8117 38.4138 173.1207 149 Y 4.7582 7.9255 114.7556 55.3325 40.5971 174.0450 150 P 4.6149 0.0000 0.0000 62.7572 33.0749 175.2141 151 K 5.0711 8.6473 121.9375 54.8748 35.3536 175.2488 152 I 4.8684 8.5278 123.5101 59.7564 40.3268 174.4066 153 F 5.3609 9.1183 126.8271 55.7782 41.6090 174.9765 154 L 5.0281 8.1232 122.6293 53.0096 44.1870 175.6450 155 F 5.4129 9.0296 121.8840 56.3886 43.1437 175.2839 156 H 4.3147 9.0654 120.9117 59.2580 31.1410 176.0160 157 T 4.2756 7.6423 112.8273 62.3137 69.7959 171.4005 *159 P 4.3974 0.0000 0.0000 63.0046 32.4786 175.9235 160 Y 4.0031 8.9333 123.6779 58.5655 39.5871 175.4240 161 H 3.9895 9.2809 125.1218 55.6838 32.4830 174.4078 162 K 4.0538 8.1630 128.8637 58.7884 32.1238 176.5903 163 G 3.9129 7.5678 106.2728 47.2210 0.0000 174.6679 164 L 4.1148 7.7354 120.5851 55.3996 41.4594 176.4277 165 N 4.2927 7.9546 119.4957 53.7537 42.5776 174.2656 166 E 4.1717 8.8786 124.1902 56.6994 30.3152 176.4108 167 Q 4.4382 8.7503 117.6599 55.5632 29.3952 175.9060 168 G 3.8180 7.8221 107.1914 45.1561 0.0000 172.8539 169 S 4.4037 8.3499 114.0179 57.8656 63.2205 174.7758 170 H 4.2244 8.8407 124.9449 58.7128 28.5095 177.8242 171 E 4.0052 8.1027 120.2213 59.4614 29.4660 179.2204 172 V 3.3425 7.8324 118.0395 65.8513 31.4591 177.8537 173 A 4.0758 8.0076 120.0868 55.3799 18.1807 178.8665 174 H 4.2097 8.3806 116.7788 59.4586 29.9313 177.5213 175 L 4.1157 8.0022 120.8051 57.9136 41.3742 179.6297 176 I 3.9429 7.9735 119.7903 64.4000 36.8582 178.6352 177 K 4.0614 8.4254 118.9838 59.6638 31.9462 179.2216 178 T 4.1856 8.1610 109.4604 64.8946 69.0332 175.9590 179 H 4.5624 8.4829 116.8891 55.0486 29.9791 174.7445 180 N 4.2123 8.5337 118.4111 53.2583 36.3545 172.5899 181 P 4.1231 0.0000 0.0000 62.5804 32.6391 177.2361 182 L 4.1632 8.8681 122.7134 57.6882 43.3143 176.5882 183 L 5.2961 7.7278 119.2968 53.2555 46.1337 175.1174 184 V 4.8650 8.9043 125.3450 61.1262 34.6237 173.8302 185 L 5.1156 9.1100 128.1956 53.0849 43.8056 175.7800 186 V 5.6538 8.7011 122.3938 59.6126 34.8216 175.0387 187 A 4.1872 8.2434 126.0643 51.1064 18.9027 177.4634 188 G 4.2749 7.2721 114.5682 45.0689 0.0000 172.2816 189 K 4.2049 8.1061 122.6146 56.0816 33.2739 173.5745 190 G 3.7382 9.7820 119.9666 44.9163 0.0000 173.3760 191 Q 4.4582 8.4397 125.3878 55.7344 29.1765 176.1549 192 K 4.8106 9.2216 122.9821 56.4539 36.5397 174.3044 193 H 5.3387 8.3840 114.4840 54.1039 31.1933 173.1392 194 E 4.3925 9.0533 123.2105 55.9704 37.4300 177.6356 *196 L 4.3149 8.8113 135.0000 56.3522 42.9329 176.2075 197 G 4.2178 8.3395 117.6420 47.3167 0.0000 173.0717 198 A 4.5116 8.8129 127.8238 51.9541 18.8096 176.7631 199 S 5.0140 8.1142 113.8315 56.4107 65.0967 174.0883 200 W 4.7808 8.8562 134.6322 56.4840 31.6452 174.9994 201 V 4.5422 8.8514 129.4058 61.4757 32.6059 174.6223 202 V 4.5677 8.6088 128.4725 60.9053 34.4767 174.3463 203 V 4.6855 8.9567 128.5288 60.7421 32.2706 174.2447 204 P 4.5764 0.0000 0.0000 62.7873 32.1558 175.2722 205 G 3.7806 7.9525 105.9878 44.0591 0.0000 171.8026 206 D 5.1152 8.7827 118.2237 51.9488 42.5110 176.5511 207 L 4.0971 9.2978 130.9326 57.9082 42.2503 178.5607 208 S 4.2964 8.2726 111.6069 59.7627 62.9621 174.3966 209 E 4.4800 8.4070 120.7110 55.9484 29.8572 177.6934 210 G 3.9191 8.4738 108.0595 45.5508 0.0000 173.6024 211 E 4.8652 7.5076 119.5536 56.3816 30.3957 175.6482 212 Y 5.2120 8.4480 120.3446 56.3696 42.0519 173.5423 213 S 5.0885 9.5080 115.2603 56.7474 68.0112 173.2258 214 L 5.0895 8.8533 124.4563 53.5040 44.0382 175.3305 215 L 4.8362 9.5870 128.3391 54.3718 43.7036 176.0081 216 D 5.0847 9.3211 123.5434 52.4390 41.6452 176.2833 217 L 4.0455 8.9345 128.6348 58.2189 42.2731 179.0329 218 R 3.9585 7.9160 115.2109 58.8714 30.1230 177.5126 219 A 4.0766 7.9384 118.2740 52.0400 18.9673 177.1130 220 R 2.0000 7.1463 113.5749 56.4505 28.2453 175.9680 221 K 4.9341 7.2454 113.9807 54.6289 36.7568 175.5343 222 L 5.3630 8.5054 120.4272 54.6153 43.8361 175.0227 223 E 4.9016 8.9893 119.8848 55.0793 32.1887 175.4038 224 T 4.7057 8.1908 112.5797 60.5933 71.7112 173.2543 225 G 3.5765 7.7478 107.6573 45.5985 0.0000 171.7061 226 N 5.6962 8.3814 117.7450 52.3317 41.6198 174.6062 227 V 4.2156 9.1680 118.5610 62.4847 32.7478 176.5993 228 R 4.1790 8.6547 122.1858 56.1838 29.5855 176.1191 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 R 8.25 4.28 0.00 1.82 1.92 0.00 3.10 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 3 R 8.02 4.55 0.00 1.85 1.86 0.00 3.24 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 4 T 8.45 4.06 4.28 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 1.25 0.00 0.00 5 V 8.77 4.14 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 0.75 0.00 0.00 0.78 0.00 0.00 6 R 9.51 4.33 0.00 1.70 1.54 0.00 2.92 0.00 0.00 2.82 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 7 Y 8.02 5.86 0.00 3.02 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 8 I 8.50 4.92 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.13 1.14 0.00 0.00 9 L 9.26 5.07 0.00 1.66 1.61 0.80 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 10 A 9.39 5.94 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 11 T 8.18 4.85 4.16 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 0.45 0.00 0.00 12 S 8.32 4.92 0.00 3.81 3.87 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 13 N 8.59 4.64 0.00 2.81 3.11 0.00 0.00 7.17 7.44 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 14 P 0.00 4.20 0.00 2.40 1.92 0.00 3.92 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.18 0.00 *16 G 9.18 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 17 D 7.97 4.62 0.00 2.76 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 18 L 8.01 3.92 0.00 1.70 1.67 0.90 0.82 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 19 E 8.15 3.87 0.00 2.02 1.93 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 2.37 2.37 0.00 20 A 8.12 4.05 1.40 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 0.00 0.00 0.00 21 L 7.82 3.85 0.00 1.85 1.58 -0.21 0.74 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 22 E 8.37 3.89 0.00 2.14 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 2.27 2.64 0.00 23 K 7.97 3.94 0.00 2.02 1.87 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.61 7.81 24 F 8.53 3.95 0.00 2.92 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 25 V 8.36 3.51 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.03 0.00 0.00 26 K 8.27 4.01 0.00 1.77 1.80 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.56 7.81 27 L 7.64 4.03 0.00 1.42 1.36 0.55 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.38 3.68 1.16 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 0.00 0.00 29 P 0.00 4.21 0.00 2.22 2.27 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 30 D 7.88 4.31 0.00 2.75 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 31 T 7.76 4.12 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 1.23 0.00 0.00 32 G 7.50 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 0.00 0.00 0.00 33 A 7.34 4.19 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 34 D 9.03 4.76 0.00 2.61 2.67 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 35 A 7.45 4.47 0.28 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 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0.00 62 A 7.72 4.00 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 63 H 7.79 4.03 0.00 3.36 3.38 0.00 5.60 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.58 4.79 0.00 1.51 1.39 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.48 0.00 1.15 1.44 0.00 3.53 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.98 0.00 66 T 9.05 5.44 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 67 A 9.88 5.52 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 68 Y 7.33 6.01 0.00 3.23 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.40 4.99 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 0.90 0.00 0.00 0.96 0.00 0.00 70 P 0.00 4.37 0.00 1.46 0.49 0.00 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0.00 7.19 7.72 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 97 V 8.29 3.98 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 0.40 0.00 0.00 0.74 0.00 0.00 98 H 8.14 4.11 0.00 3.13 3.41 0.00 6.05 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.87 3.71 0.00 1.97 1.91 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 1.76 1.47 0.00 100 T 7.39 4.38 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 101 F 7.75 4.88 0.00 2.78 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 0.00 102 T 8.30 4.22 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 0.95 0.00 0.00 103 F 8.66 5.43 0.00 3.02 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 0.00 104 W 9.26 5.35 0.00 3.43 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 113 V 8.10 4.31 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.81 0.00 0.00 114 G 8.86 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 0.00 115 G 8.31 3.82 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 0.00 0.00 0.00 116 E 8.58 4.25 0.00 1.95 1.82 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 2.25 2.26 0.00 117 I 8.64 4.65 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.75 0.85 0.00 0.00 118 A 8.60 4.66 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 D 8.91 4.48 0.00 2.59 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 0.00 120 E 7.89 4.39 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 121 G 9.02 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 0.00 0.00 0.00 122 E 8.10 4.73 0.00 1.88 1.91 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 2.29 2.30 0.00 123 P 0.00 4.55 0.00 1.94 1.94 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 124 E 8.99 4.63 0.00 1.90 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.41 0.00 125 E 8.64 4.93 0.00 1.76 1.53 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 1.99 2.10 0.00 126 H 8.50 4.47 0.00 3.24 3.36 0.00 5.88 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.41 4.16 0.00 1.93 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 2.31 2.38 0.00 128 A 7.03 4.12 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 0.00 129 L 8.25 4.59 0.00 1.47 1.36 0.70 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.73 4.77 0.00 1.60 1.49 0.00 2.97 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 131 Y 9.33 5.02 0.00 2.81 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 0.00 132 P 0.00 4.74 0.00 2.28 2.39 0.00 3.55 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 2.09 0.00 133 A 8.85 3.97 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 0.00 134 W 8.30 4.25 0.00 3.63 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 0.00 135 V 7.00 3.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 -0.75 0.00 0.00 136 A 7.77 3.81 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 0.00 137 E 8.47 3.96 0.00 2.18 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 2.51 2.50 0.00 138 Y 7.85 4.10 0.00 3.34 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 0.00 139 R 7.99 3.99 0.00 1.84 1.78 0.00 3.24 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.52 0.00 140 L 7.61 3.87 0.00 1.50 1.27 0.72 0.07 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 0.00 141 K 7.82 4.09 0.00 2.19 2.30 0.00 1.35 0.00 0.00 1.62 0.00 0.00 2.17 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.33 7.81 142 A 7.41 3.97 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 0.00 143 L 7.61 3.69 0.00 1.33 1.42 0.67 0.30 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 0.00 144 W 7.44 4.60 0.00 3.36 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 0.00 145 E 8.02 4.33 0.00 2.09 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 2.39 2.50 0.00 146 L 7.44 4.62 0.00 1.70 1.72 0.12 0.70 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 0.00 147 K 8.78 4.50 0.00 1.73 1.73 0.00 1.98 0.00 0.00 1.81 0.00 0.00 3.24 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.42 7.81 148 D 8.60 4.38 0.00 2.52 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 0.00 149 Y 7.93 4.76 0.00 3.02 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 0.00 150 P 0.00 4.61 0.00 2.35 2.25 0.00 3.83 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 2.17 1.88 0.00 151 K 8.65 5.07 0.00 1.33 1.46 0.00 1.47 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.62 7.81 152 I 8.53 4.87 1.67 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.04 0.79 0.00 0.00 153 F 9.12 5.36 0.00 2.65 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 0.00 0.00 0.00 0.00 154 L 8.12 5.03 0.00 1.41 1.45 0.76 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 155 F 9.03 5.41 0.00 2.97 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 0.00 156 H 9.07 4.31 0.00 3.23 3.51 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 7.64 4.28 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 1.23 0.00 0.00 *159 P 0.00 4.40 0.00 2.14 2.10 0.00 3.77 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 1.89 2.02 0.00 160 Y 8.93 4.00 0.00 2.91 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 0.00 161 H 9.28 3.99 0.00 3.04 2.95 0.00 5.68 0.00 0.00 0.00 0.00 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 K 8.16 4.05 0.00 1.65 1.71 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.65 7.81 163 G 7.57 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 L 7.74 4.11 0.00 1.72 1.74 0.85 0.34 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 0.00 165 N 7.95 4.29 0.00 2.72 2.63 0.00 0.00 6.98 7.53 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 0.00 166 E 8.88 4.17 0.00 2.01 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 0.00 2.35 2.14 0.00 167 Q 8.75 4.44 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 168 G 7.82 3.82 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 0.00 0.00 0.00 169 S 8.35 4.40 0.00 3.86 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 0.00 170 H 8.84 4.22 0.00 3.19 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 E 8.10 4.01 0.00 1.98 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 2.43 2.33 0.00 172 V 7.83 3.34 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 0.59 0.00 0.00 0.62 0.00 0.00 173 A 8.01 4.08 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 H 8.38 4.21 0.00 3.40 3.56 0.00 5.79 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 0.00 175 L 8.00 4.12 0.00 1.98 1.91 0.80 0.96 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 0.00 176 I 7.97 3.94 2.15 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.12 1.00 0.00 0.00 177 K 8.43 4.06 0.00 1.97 1.95 0.00 1.81 0.00 0.00 1.85 0.00 0.00 3.16 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.68 7.81 178 T 8.16 4.19 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 179 H 8.48 4.56 0.00 3.38 3.26 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 N 8.53 4.21 0.00 2.85 2.86 0.00 0.00 6.98 8.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 P 0.00 4.12 0.00 1.86 0.66 0.00 3.81 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.57 0.00 182 L 8.87 4.16 0.00 1.84 1.94 1.00 0.77 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 0.00 183 L 7.73 5.30 0.00 1.92 1.43 0.54 0.79 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 0.00 184 V 8.90 4.86 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 1.15 0.00 0.00 1.00 0.00 0.00 185 L 9.11 5.12 0.00 1.52 1.51 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 186 V 8.70 5.65 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 0.75 0.00 0.00 1.03 0.00 0.00 187 A 8.24 4.19 1.10 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 0.00 188 G 7.27 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 K 8.11 4.20 0.00 1.71 1.69 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.51 7.81 190 G 9.78 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 0.00 191 Q 8.44 4.46 0.00 1.91 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.71 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 192 K 9.22 4.81 0.00 1.74 1.84 0.00 1.31 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.57 1.36 7.81 193 H 8.38 5.34 0.00 3.15 3.19 0.00 5.73 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 0.00 194 E 9.05 4.39 0.00 1.73 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 2.21 2.36 0.00 *196 L 8.81 4.31 0.00 1.77 1.71 1.01 1.04 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 0.00 197 G 8.34 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 0.00 0.00 0.00 0.00 198 A 8.81 4.51 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 0.00 199 S 8.11 5.01 0.00 3.86 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 0.00 200 W 8.86 4.78 0.00 3.37 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 0.00 201 V 8.85 4.54 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 0.83 0.00 0.00 0.97 0.00 0.00 202 V 8.61 4.57 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 -0.60 0.00 0.00 203 V 8.96 4.69 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 1.05 0.00 0.00 0.88 0.00 0.00 204 P 0.00 4.58 0.00 2.26 2.16 0.00 3.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 205 G 7.95 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 D 8.78 5.12 0.00 2.64 2.58 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 0.00 207 L 9.30 4.10 0.00 1.51 1.56 0.96 0.40 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 0.00 208 S 8.27 4.30 0.00 4.02 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 0.00 209 E 8.41 4.48 0.00 2.13 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 2.36 2.35 0.00 210 G 8.47 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 0.00 211 E 7.51 4.87 0.00 2.02 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 2.33 2.48 0.00 212 Y 8.45 5.21 0.00 3.55 3.26 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 0.00 213 S 9.51 5.09 0.00 3.81 3.79 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 0.00 214 L 8.85 5.09 0.00 1.92 1.65 1.05 0.65 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 0.00 215 L 9.59 4.84 0.00 1.80 1.92 1.01 -0.65 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 0.00 216 D 9.32 5.08 0.00 2.90 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 0.00 217 L 8.93 4.05 0.00 1.83 1.64 1.01 0.28 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 0.00 218 R 7.92 3.96 0.00 1.75 1.92 0.00 3.22 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 219 A 7.94 4.08 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 0.00 220 R 7.15 2.00 0.00 1.38 0.72 0.00 2.81 0.00 0.00 2.91 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.26 0.00 221 K 7.25 4.93 0.00 1.64 1.67 0.00 1.61 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.50 7.81 222 L 8.51 5.36 0.00 1.83 1.86 1.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 223 E 8.99 4.90 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 224 T 8.19 4.71 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 225 G 7.75 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 0.00 0.00 0.00 226 N 8.38 5.70 0.00 2.65 2.64 0.00 0.00 6.99 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 0.00 227 V 9.17 4.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.08 0.00 0.00 228 R 8.65 4.18 0.00 1.89 1.93 0.00 3.11 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.53 0.00 * Residues marked with a * may have inaccurate shift predictions.