NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 R 4.2500 8.2549 120.8584 55.5504 31.9021 174.5866 21 I 4.2583 7.4542 117.5023 59.9455 39.0054 173.7642 22 K 4.3254 9.1164 127.7240 55.9095 33.9080 175.7805 23 K 4.3795 8.8828 125.4303 54.9087 33.5712 175.2478 24 I 4.6656 7.4729 126.3255 59.5645 39.4995 174.8743 25 S 5.1298 8.7923 121.1308 56.9364 64.6832 173.0715 26 I 4.7608 9.2543 128.7729 60.1026 37.5843 174.6192 27 E 4.5714 9.0391 127.1438 55.6561 31.3703 175.9950 28 G 4.2462 8.3267 108.2578 46.7700 0.0000 171.5970 29 N 4.8800 8.5636 117.8248 52.5707 41.3833 173.5143 30 I 4.1179 8.8468 118.2430 62.4011 37.8017 175.9196 31 A 3.8323 9.0027 125.5175 53.0866 16.3453 178.2569 32 A 4.1213 7.7552 122.3658 57.6628 18.5696 178.6192 33 G 3.5416 8.5687 105.5036 45.5649 0.0000 175.4640 34 K 4.0539 8.0948 121.0650 59.4441 31.8358 178.6272 35 S 4.2712 8.2627 113.3073 62.4712 62.7522 176.8597 36 T 3.9076 7.9554 118.5225 67.0348 68.7212 175.8495 37 F 4.5918 8.8557 122.5717 61.5256 39.4833 177.6343 38 V 3.3013 8.8899 119.8747 64.7289 31.0942 177.9639 39 N 3.8763 8.5108 117.6166 56.0660 38.0464 177.4263 40 I 3.6462 7.1763 120.7562 64.0155 37.2506 178.1702 41 L 4.0662 7.2005 119.3155 57.6493 41.2979 178.8937 42 K 3.8874 8.2763 119.6671 58.9969 32.9965 177.8606 43 Q 4.6087 7.3710 116.0401 55.1894 26.8807 175.5926 44 L 4.5671 7.6711 115.8250 54.3221 44.0243 174.8234 45 C 5.0981 7.1135 122.3548 59.5413 33.3828 173.2486 46 E 4.4867 8.5287 125.8053 56.9885 29.1933 176.2778 47 D 5.0515 7.8717 115.8111 53.6315 43.0888 175.2560 48 W 5.5564 8.3602 118.7382 55.2770 31.3649 174.2848 49 E 4.8867 9.2443 126.3161 54.3231 32.1084 174.8359 50 V 4.9673 8.4656 124.4489 61.4596 34.3038 175.6108 51 V 4.4277 8.7499 125.7495 59.5794 31.3881 172.7492 52 P 4.7215 0.0000 0.0000 61.9048 32.6233 175.5084 53 E 3.9301 8.8086 123.1643 55.5003 30.4275 177.1214 54 P 4.3628 0.0000 0.0000 61.7045 30.9754 178.7834 55 V 2.6868 7.5637 122.3575 65.7632 30.8102 176.6215 56 A 3.9085 7.7178 120.7104 55.3247 18.2432 179.4699 57 R 3.9997 7.6414 115.6661 58.6622 30.1027 178.3203 58 W 4.7941 8.0858 118.5036 58.9507 28.8204 177.0085 59 C 5.6508 7.3682 114.5340 58.6808 27.9348 173.9556 60 N 4.6767 7.4440 113.4745 52.8844 40.6651 172.2323 61 V 3.7127 8.6076 119.9086 62.7161 31.9490 174.9905 62 Q 4.5643 8.3018 125.5930 55.1635 32.5689 174.4866 63 S 4.4700 8.4970 112.3823 59.6525 64.2060 174.3078 *77 N 4.4611 7.8098 118.5184 53.2883 39.0982 172.2759 78 G 4.2544 8.2832 107.8755 44.3315 0.0000 172.0984 79 G 3.8196 8.4915 106.4014 46.0779 0.0000 172.7188 80 N 5.7054 8.2598 119.3558 50.7271 38.3276 174.9281 81 V 3.4999 8.0902 123.5257 64.1086 31.3689 178.2046 82 L 3.8817 7.9581 120.9199 58.2103 41.9246 178.6779 83 Q 4.0752 8.1209 119.5358 59.4026 28.9337 177.9039 84 M 3.8623 7.8079 119.3104 58.5598 31.7496 178.2004 85 M 4.0825 7.7560 117.7485 58.9441 32.1224 177.9613 86 Y 4.3320 7.2237 115.8435 61.0666 38.0725 177.9840 87 E 4.3129 8.4565 119.1661 58.0250 31.2100 177.5608 88 K 4.7087 8.3460 119.9931 53.3246 32.7204 174.1034 89 P 4.4714 0.0000 0.0000 64.7293 31.4412 179.1466 90 E 4.2887 8.2180 113.4552 57.0699 29.4044 176.8807 91 R 4.1693 8.0103 118.8307 56.2612 32.2849 176.3866 92 W 4.8508 7.8321 114.5639 56.1535 30.1468 177.4690 93 S 4.1713 8.1056 116.8682 62.0057 62.3037 175.8431 94 F 4.1990 8.4297 122.3446 61.8022 39.0163 176.6208 95 T 3.6966 8.1966 114.3392 66.9780 68.3315 175.6245 96 F 3.7311 8.7643 122.2728 61.5893 39.2624 176.7059 97 Q 3.8163 8.8210 119.2005 59.7128 28.6922 179.1359 98 T 3.5663 7.8062 116.5798 66.6117 68.4082 176.0410 99 Y 3.9909 7.7532 121.1486 60.6725 38.2194 178.0109 100 A 3.1932 7.9188 122.1369 55.1008 18.1789 179.2394 101 C 4.1576 7.8095 117.1770 62.3098 31.5829 175.2883 102 L 4.0492 8.1198 122.3192 58.3729 41.7711 178.9165 103 S 3.8914 8.0486 114.2908 61.5338 62.4007 176.7431 104 R 3.7393 7.5648 121.0749 59.3031 29.8884 178.1031 105 I 3.4844 7.6986 119.7591 64.7145 37.0930 178.3153 106 R 3.7067 8.1043 118.4453 59.0936 30.0330 178.6150 107 A 3.9220 7.8397 120.2447 55.6419 18.2666 179.8362 108 Q 3.6180 8.1861 116.3388 58.9549 28.6501 178.5556 109 L 3.9805 7.7926 118.6508 57.6825 41.8450 179.1767 110 A 4.1100 8.4420 120.8821 55.5553 18.4280 179.9255 111 S 4.1366 7.9404 112.6441 61.4885 62.6707 176.6225 112 L 4.3205 7.6222 119.8520 56.3478 41.3295 177.2617 113 N 4.8582 7.9310 115.4172 52.6765 39.1365 174.9601 114 G 3.8914 7.8802 109.3758 44.7237 0.0000 175.0700 115 K 4.1425 8.4632 117.6814 58.1575 32.5788 177.9094 116 L 4.0942 7.8530 122.4286 57.8874 42.2553 178.2333 117 K 3.9753 8.1172 119.1909 58.6385 32.3651 176.9449 118 D 4.4908 7.8404 117.1689 56.4630 41.4932 176.6843 119 A 4.0203 7.9465 120.0094 51.6168 18.1478 176.1371 120 E 4.0047 7.4958 118.0005 56.9460 30.0407 177.7279 121 K 4.3860 7.5763 130.4007 53.0899 31.9821 173.6045 122 P 5.0652 0.0000 0.0000 61.9310 33.7249 175.4040 123 V 4.4218 9.1318 121.4868 61.2771 35.4861 173.3680 124 L 4.9476 8.6725 130.3172 53.3976 44.2421 174.8551 125 F 4.9192 9.1450 126.4566 56.7216 40.6923 174.9480 126 F 5.3358 9.1701 123.1663 56.1571 41.0684 175.0191 127 E 4.6529 8.8135 125.2533 55.8406 28.8629 174.5552 128 R 4.5728 8.7706 127.7702 56.1425 30.9477 176.7416 129 S 4.9621 8.6552 114.7170 56.2519 67.1158 175.7402 130 V 4.0556 7.9641 116.5809 63.7223 31.0446 178.6146 131 Y 4.1082 7.0049 115.8229 61.1224 37.8337 178.3274 132 S 4.2669 8.2403 114.3655 60.9938 63.1055 175.9541 133 D 4.4982 8.1361 122.7340 57.4953 40.5983 178.6822 134 R 4.2265 8.0041 118.9686 59.8833 30.0624 177.9669 135 Y 4.0083 8.5066 114.9557 59.8593 38.1370 176.9230 136 I 4.1228 7.7664 120.1920 63.3526 38.1295 177.7863 137 F 4.1180 8.2521 117.5616 60.1713 39.1436 177.4895 138 A 3.9169 8.5820 120.4746 55.5748 18.2231 179.0999 139 S 3.3580 8.2801 111.1792 61.9355 62.3852 176.1816 140 N 4.2073 7.9736 118.7138 56.5911 38.5438 176.9050 141 L 4.0445 8.2248 121.0579 57.5961 41.6466 178.7260 142 Y 3.9530 7.8546 119.6880 60.8268 38.4501 178.1366 143 E 3.5055 7.6507 117.7019 58.8179 29.4609 178.5053 144 S 4.4317 7.4866 113.3038 57.5363 63.0090 173.6756 145 E 3.6939 7.6783 119.7399 57.9349 27.1715 174.9282 146 C 4.5449 8.1789 113.9569 59.7970 28.8030 174.1591 147 M 5.3044 7.8774 119.1724 51.8585 34.6529 175.1562 148 N 4.6556 8.9171 122.1178 52.3679 39.5109 175.2558 149 E 4.0619 8.8862 120.1206 60.3734 29.5427 179.6546 150 T 3.8580 8.0301 114.6041 66.9866 68.6682 176.0039 151 E 3.4089 8.1856 119.7916 59.2422 29.5362 179.4446 152 W 4.5646 8.2937 128.1773 60.6332 30.5672 178.3040 153 T 3.6543 8.2358 116.2994 66.5311 67.8748 176.8437 154 I 3.7154 8.1923 122.0760 64.4722 37.0651 177.6296 155 Y 4.2882 8.7846 120.6887 61.0358 38.6170 178.4443 156 Q 3.6347 7.8217 118.5373 58.9221 28.8893 177.9136 157 D 4.3395 8.0622 119.0950 57.2998 41.0806 178.4142 158 W 4.1497 8.4967 128.6086 60.8885 30.9621 177.1734 159 H 3.3177 8.4082 118.3384 59.3616 28.8869 176.6496 160 D 4.3757 8.4342 119.6523 57.2516 41.0606 178.0353 161 W 4.2730 8.1398 128.4629 60.8289 30.4636 177.8837 162 M 3.7231 8.1280 118.8397 58.2485 31.1535 177.6674 163 N 4.9019 7.6752 114.3324 53.4017 38.6399 176.0761 164 N 4.8218 7.5982 117.2827 53.0811 40.3140 175.3556 165 Q 3.9376 7.2749 116.0935 56.0157 30.1332 176.3758 166 F 4.7115 7.7463 113.3622 56.7618 39.9250 176.0660 167 G 3.6959 7.9444 109.6111 47.4739 0.0000 177.8188 168 Q 3.3588 6.8842 116.0414 57.6135 30.1906 179.8749 169 S 4.1435 8.1755 113.7954 61.8291 62.9564 175.7770 170 L 4.6455 8.0591 116.5848 54.4290 41.6182 176.8181 171 E 4.2301 7.6631 119.7349 56.6119 29.7782 177.1639 172 L 4.4962 9.3584 123.7328 55.0417 42.3781 176.6125 173 D 4.8895 8.3848 119.7127 53.8710 42.4883 176.1805 174 G 4.2366 7.3642 104.6144 46.0917 0.0000 172.4063 175 I 5.2244 8.2345 120.1164 59.4488 42.0166 174.6281 176 I 4.5003 9.2677 127.4543 59.6433 39.9723 174.2775 177 Y 4.8136 8.9003 130.7669 56.5384 39.5929 174.8176 178 L 4.3876 8.8030 129.3613 53.6462 41.6995 176.3854 179 Q 3.6702 8.0303 125.8724 55.3505 30.4359 174.4727 180 A 4.6976 8.1802 123.2400 51.0236 22.1400 176.2925 181 T 3.7674 8.4197 112.4566 61.3569 69.2741 173.6778 182 P 4.2896 0.0000 0.0000 65.6307 31.0449 178.7840 183 E 3.9093 8.0125 118.4551 59.7616 29.5698 178.8158 184 T 3.9090 8.1699 116.0520 67.0109 68.5302 176.3368 185 C 4.1566 8.1185 118.3450 62.8643 27.9751 175.8633 186 L 4.0491 8.0304 120.8879 58.3794 41.8525 178.3910 187 H 4.3952 8.4407 118.2031 59.5558 29.9009 177.6378 188 R 3.9395 8.6389 119.9527 59.1095 29.9258 179.1602 189 I 3.7793 8.3118 120.4339 64.3086 36.7823 177.7426 190 Y 4.2064 7.9101 119.8674 60.5003 38.7457 177.2357 191 L 3.8863 7.6729 118.5382 57.8290 41.8427 178.8321 192 R 3.9562 7.9959 118.1251 58.8001 30.1484 177.3770 193 G 3.9136 7.9580 105.1653 44.8533 0.0000 173.3950 194 R 3.9456 8.0056 119.4258 56.3054 30.0705 177.3393 195 N 4.4167 8.8245 121.3031 55.8815 38.9572 176.5632 196 E 4.1515 8.3349 117.5644 59.1056 29.8238 177.4076 197 E 3.9360 7.9100 115.7889 56.2830 29.7795 177.6579 198 Q 4.0676 7.9916 118.4538 57.8712 29.1297 176.7961 199 G 3.7824 7.5489 105.2725 45.2706 0.0000 174.1006 200 I 3.4541 6.7799 121.5407 61.1421 37.4026 174.7919 201 P 4.6646 0.0000 0.0000 61.6540 34.0515 176.7680 202 L 3.9426 8.3456 119.9232 58.2112 41.9409 178.5930 203 E 3.8953 8.3054 118.2813 59.9400 29.3927 178.5601 204 Y 4.0776 8.0654 118.4102 60.9326 38.9516 177.8136 205 L 3.9058 7.8767 119.7882 57.7903 41.7077 179.4645 206 E 3.5272 8.5498 119.3651 59.1000 29.5694 178.6813 207 K 3.7267 7.9078 118.6493 59.7656 32.0906 179.2990 208 L 3.7732 7.4873 118.8281 57.6098 41.3373 178.8914 209 H 4.0363 7.8143 118.2992 59.6581 29.7542 176.7026 210 Y 4.4447 7.5957 118.2981 61.4044 37.5608 179.0219 211 K 3.9024 8.0073 118.8257 59.7012 32.0528 179.1953 212 H 4.2553 8.0656 116.1135 58.8073 28.7595 177.2716 213 E 3.8819 8.2602 120.4922 59.8087 29.4055 179.5685 214 S 4.2052 8.8955 113.2435 60.8498 62.2469 175.9180 215 W 4.3941 7.8785 130.7616 60.1013 30.5636 177.8423 216 L 3.6565 7.7988 116.6024 55.3189 41.4375 177.0812 217 L 4.2642 7.3937 119.0963 57.0944 42.9671 176.9828 218 H 4.4625 8.4791 115.5091 56.3048 29.0563 175.8166 219 R 4.2056 8.0744 116.3362 56.0264 27.5612 176.8891 220 T 4.1853 7.9097 107.2386 62.2015 69.5793 174.2801 221 L 4.3522 7.8117 124.8202 53.9569 42.2134 175.7927 222 K 4.3302 8.6350 126.5552 56.0595 33.1134 176.7876 223 T 4.6579 8.0768 113.7411 60.1029 71.1431 173.6472 224 N 5.0975 8.6038 119.7741 54.0094 39.9128 175.7572 225 F 4.7883 7.9018 113.2424 56.2543 39.8282 176.2571 226 D 4.3926 7.7318 124.8043 57.2501 41.8894 179.4041 227 Y 4.3009 8.2605 116.9456 59.5301 38.1126 178.0031 228 L 3.5071 7.5502 120.2359 56.8965 41.7864 178.1904 229 Q 4.0574 7.7125 119.1532 58.3461 29.0842 176.1088 230 E 4.6321 7.7563 116.4739 56.2885 30.0967 175.5565 231 V 4.4414 7.4566 118.1499 60.2689 33.8158 173.5041 232 P 4.4867 0.0000 0.0000 63.0523 32.6415 175.5400 233 I 4.5359 8.2975 123.4435 59.5407 40.2832 174.2583 234 L 4.1518 7.8890 130.4404 54.3050 43.3228 175.3910 235 T 4.9420 8.3748 122.5427 61.8055 70.8364 173.2934 236 L 4.4654 8.2769 126.7341 52.8546 44.6014 175.7686 237 D 4.7696 8.5403 123.7022 53.2284 40.1268 175.1508 238 V 4.0901 7.9662 117.9955 61.2688 32.1163 178.2133 239 N 4.5550 8.6940 121.6288 56.0211 40.0586 177.2149 240 E 4.0478 8.1913 113.4451 56.5587 28.1118 178.3137 241 D 4.9122 8.7430 128.4218 54.9784 43.1148 174.5860 242 F 5.5889 8.8032 118.0124 56.0807 38.8637 176.8251 243 K 3.7935 7.3908 122.3691 59.6925 31.2385 176.3745 244 D 4.4471 7.2854 116.1075 55.6019 42.0065 176.2603 245 K 4.0359 7.7803 128.0005 56.8732 32.2405 177.2416 246 Y 5.1062 7.7418 121.3994 55.6355 40.9509 176.4742 247 E 4.0048 8.3458 121.6403 60.5172 29.5208 178.2941 248 S 4.0976 8.3187 111.9592 61.2967 62.0592 175.6656 249 L 3.9907 7.9665 121.7667 58.1538 41.9505 179.3113 250 V 3.8824 7.9939 117.6624 66.4284 31.3551 177.7526 251 E 4.0807 8.1762 117.5290 59.6255 29.3136 179.6616 252 K 4.0859 8.0973 117.6437 59.0064 31.9773 179.6526 253 V 3.7926 7.9588 118.9042 65.8011 31.6478 178.0004 254 K 4.1407 8.2883 117.7992 59.8627 31.4074 178.0935 255 E 3.9199 8.6871 119.5883 59.6997 29.2463 178.4727 256 F 4.1607 8.5128 120.2902 61.6480 39.5857 177.1858 257 L 3.9945 8.6018 117.5890 57.5445 41.6446 179.3826 258 S 4.3519 8.0743 115.6527 61.6330 62.5319 176.6956 259 T 4.0738 7.1449 105.5738 62.1161 68.0346 174.2714 260 L 4.1579 7.6489 127.9214 55.2655 41.9611 176.2003 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 20 R 8.25 4.25 0.00 1.78 2.01 0.00 3.19 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 21 I 7.45 4.26 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.84 0.91 0.00 0.00 22 K 9.12 4.33 0.00 1.55 1.57 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.36 7.81 23 K 8.88 4.38 0.00 1.49 1.06 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.06 1.21 7.81 24 I 7.47 4.67 1.12 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.57 0.92 0.00 0.00 25 S 8.79 5.13 0.00 4.09 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 26 I 9.25 4.76 2.16 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.86 1.04 0.00 0.00 27 E 9.04 4.57 0.00 2.03 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 0.00 2.45 2.47 0.00 28 G 8.33 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 0.00 0.00 0.00 0.00 29 N 8.56 4.88 0.00 2.71 2.82 0.00 0.00 6.95 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 30 I 8.85 4.12 2.04 0.00 0.00 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 1.58 1.03 1.08 0.00 0.00 31 A 9.00 3.83 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 32 A 7.76 4.12 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.57 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 34 K 8.09 4.05 0.00 1.98 1.95 0.00 1.71 0.00 0.00 1.94 0.00 0.00 3.45 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.85 1.71 7.81 35 S 8.26 4.27 0.00 3.92 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.96 3.91 4.54 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 1.00 0.00 0.00 37 F 8.86 4.59 0.00 3.24 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.89 3.30 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 0.85 0.00 0.00 0.70 0.00 0.00 39 N 8.51 3.88 0.00 2.86 2.86 0.00 0.00 6.90 6.92 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 40 I 7.18 3.65 1.59 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.44 0.11 0.00 0.00 41 L 7.20 4.07 0.00 1.36 1.36 0.16 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.28 3.89 0.00 1.73 2.00 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.54 7.81 43 Q 7.37 4.61 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.28 0.00 44 L 7.67 4.57 0.00 1.59 1.32 0.79 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 45 C 7.11 5.10 0.00 2.24 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 0.00 0.00 0.00 46 E 8.53 4.49 0.00 1.94 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 2.27 2.37 0.00 47 D 7.87 5.05 0.00 2.66 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 48 W 8.36 5.56 0.00 3.33 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 49 E 9.24 4.89 0.00 2.16 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 2.28 2.29 0.00 50 V 8.47 4.97 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 0.96 0.00 0.00 0.95 0.00 0.00 51 V 8.75 4.43 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 0.77 0.00 0.00 1.15 0.00 0.00 52 P 0.00 4.72 0.00 1.91 1.96 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 53 E 8.81 3.93 0.00 2.14 1.56 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 2.43 2.57 0.00 54 P 0.00 4.36 0.00 1.77 1.96 0.00 3.48 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 1.43 1.85 0.00 55 V 7.56 2.69 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 0.71 0.00 0.00 1.05 0.00 0.00 56 A 7.72 3.91 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 57 R 7.64 4.00 0.00 1.87 1.94 0.00 3.10 0.00 0.00 3.29 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.76 0.00 58 W 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0.00 0.00 0.00 0.00 2.38 2.35 0.00 88 K 8.35 4.71 0.00 1.91 1.83 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.41 7.81 89 P 0.00 4.47 0.00 2.26 2.37 0.00 3.96 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 90 E 8.22 4.29 0.00 2.07 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 2.24 2.22 0.00 91 R 8.01 4.17 0.00 1.52 1.89 0.00 2.59 0.00 0.00 2.83 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 92 W 7.83 4.85 0.00 3.43 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 93 S 8.11 4.17 0.00 4.10 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 8.43 4.20 0.00 3.23 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 95 T 8.20 3.70 4.72 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 1.30 0.00 0.00 96 F 8.76 3.73 0.00 3.13 3.20 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 97 Q 8.82 3.82 0.00 2.41 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.60 0.00 0.00 0.00 0.00 0.00 2.16 2.39 0.00 98 T 7.81 3.57 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 99 Y 7.75 3.99 0.00 2.84 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 0.00 100 A 7.92 3.19 0.06 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 0.00 101 C 7.81 4.16 0.00 3.30 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 0.00 102 L 8.12 4.05 0.00 2.08 1.79 1.05 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 103 S 8.05 3.89 0.00 3.91 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 0.00 104 R 7.56 3.74 0.00 2.14 2.11 0.00 3.07 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 105 I 7.70 3.48 1.77 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.58 0.50 0.00 0.00 106 R 8.10 3.71 0.00 1.87 1.86 0.00 3.12 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 107 A 7.84 3.92 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 0.00 108 Q 8.19 3.62 0.00 1.75 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 1.79 2.23 0.00 109 L 7.79 3.98 0.00 1.71 1.71 0.65 1.15 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 0.00 110 A 8.44 4.11 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 7.94 4.14 0.00 4.08 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.62 4.32 0.00 1.89 1.77 1.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 113 N 7.93 4.86 0.00 2.83 2.82 0.00 0.00 6.92 7.17 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 0.00 114 G 7.88 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.46 4.14 0.00 1.89 1.97 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.39 7.81 116 L 7.85 4.09 0.00 1.99 1.75 1.06 0.47 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 0.00 117 K 8.12 3.98 0.00 1.77 1.96 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.45 7.81 118 D 7.84 4.49 0.00 2.80 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 0.00 119 A 7.95 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.50 4.00 0.00 2.12 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 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4.96 0.00 4.19 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 0.00 130 V 7.96 4.06 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.03 0.00 0.00 131 Y 7.00 4.11 0.00 3.21 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 0.00 132 S 8.24 4.27 0.00 4.36 4.69 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 0.00 133 D 8.14 4.50 0.00 3.13 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 0.00 134 R 8.00 4.23 0.00 2.00 1.98 0.00 2.68 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.73 0.00 135 Y 8.51 4.01 0.00 2.65 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 0.00 136 I 7.77 4.12 2.14 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 1.53 1.50 0.50 0.00 0.00 137 F 8.25 4.12 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 0.00 138 A 8.58 3.92 1.22 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 0.00 139 S 8.28 3.36 0.00 4.16 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 0.00 140 N 7.97 4.21 0.00 2.65 2.93 0.00 0.00 7.35 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 0.00 141 L 8.22 4.04 0.00 1.88 1.72 0.96 0.70 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 0.00 142 Y 7.85 3.95 0.00 2.06 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 0.00 0.00 0.00 143 E 7.65 3.51 0.00 1.82 1.81 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 2.11 2.35 0.00 144 S 7.49 4.43 0.00 3.99 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 0.00 145 E 7.68 3.69 0.00 2.03 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 2.11 2.11 0.00 146 C 8.18 4.54 0.00 3.13 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 0.00 147 M 7.88 5.30 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 148 N 8.92 4.66 0.00 2.93 2.96 0.00 0.00 6.16 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 0.00 149 E 8.89 4.06 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 150 T 8.03 3.86 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 1.12 0.00 0.00 151 E 8.19 3.41 0.00 2.22 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 1.78 2.49 0.00 152 W 8.29 4.56 0.00 2.99 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 0.00 153 T 8.24 3.65 4.33 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 1.16 0.00 0.00 154 I 8.19 3.72 1.97 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.82 1.06 0.00 0.00 155 Y 8.78 4.29 0.00 3.53 3.28 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 0.00 156 Q 7.82 3.63 0.00 1.80 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.50 0.00 0.00 0.00 0.00 0.00 1.16 1.34 0.00 157 D 8.06 4.34 0.00 2.86 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 0.00 158 W 8.50 4.15 0.00 3.46 3.41 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 0.00 0.00 0.00 0.00 159 H 8.41 3.32 0.00 2.87 3.24 0.00 5.64 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 0.00 160 D 8.43 4.38 0.00 2.80 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 0.00 161 W 8.14 4.27 0.00 3.39 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 0.00 162 M 8.13 3.72 0.00 1.43 1.49 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.60 0.00 163 N 7.68 4.90 0.00 3.15 3.10 0.00 0.00 6.91 6.39 0.00 0.00 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 N 7.60 4.82 0.00 2.63 2.64 0.00 0.00 6.76 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 Q 7.27 3.94 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.20 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 166 F 7.75 4.71 0.00 2.80 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 0.00 167 G 7.94 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 Q 6.88 3.36 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.24 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 169 S 8.18 4.14 0.00 3.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 8.06 4.65 0.00 1.70 1.85 0.83 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 171 E 7.66 4.23 0.00 1.73 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 2.20 2.37 0.00 172 L 9.36 4.50 0.00 1.81 1.70 1.18 1.22 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 0.00 173 D 8.38 4.89 0.00 2.39 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 0.00 174 G 7.36 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 0.00 0.00 0.00 0.00 175 I 8.23 5.22 1.72 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.94 0.80 0.00 0.00 176 I 9.27 4.50 1.88 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.63 0.73 0.00 0.00 177 Y 8.90 4.81 0.00 2.76 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 0.00 178 L 8.80 4.39 0.00 1.38 1.32 0.69 -0.13 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 0.00 179 Q 8.03 3.67 0.00 1.11 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 180 A 8.18 4.70 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 0.00 181 T 8.42 3.77 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 1.26 0.00 0.00 182 P 0.00 4.29 0.00 2.19 2.34 0.00 3.52 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.87 0.00 183 E 8.01 3.91 0.00 2.06 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 2.45 0.00 184 T 8.17 3.91 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 185 C 8.12 4.16 0.00 3.16 3.20 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 0.00 186 L 8.03 4.05 0.00 1.72 1.91 0.99 1.13 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 0.00 187 H 8.44 4.40 0.00 3.30 3.58 0.00 5.84 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 0.00 188 R 8.64 3.94 0.00 1.97 2.02 0.00 3.32 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 189 I 8.31 3.78 2.14 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.97 0.00 0.00 190 Y 7.91 4.21 0.00 2.89 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 0.00 191 L 7.67 3.89 0.00 1.71 1.63 0.88 0.84 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 0.00 192 R 8.00 3.96 0.00 1.78 2.16 0.00 3.40 0.00 0.00 3.26 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 193 G 7.96 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 0.00 194 R 8.01 3.95 0.00 2.06 2.21 0.00 3.59 0.00 0.00 3.44 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 195 N 8.82 4.42 0.00 2.70 2.90 0.00 0.00 7.21 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 0.00 196 E 8.33 4.15 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 197 E 7.91 3.94 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.28 0.00 198 Q 7.99 4.07 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.59 2.32 0.00 199 G 7.55 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 0.00 200 I 6.78 3.45 1.82 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 0.85 0.18 1.06 0.00 0.00 201 P 0.00 4.66 0.00 2.55 2.15 0.00 3.62 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 2.11 2.00 0.00 202 L 8.35 3.94 0.00 1.77 1.70 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 203 E 8.31 3.90 0.00 2.13 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 2.48 0.00 204 Y 8.07 4.08 0.00 3.02 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 0.00 205 L 7.88 3.91 0.00 1.84 1.70 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 206 E 8.55 3.53 0.00 1.93 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 1.49 1.92 0.00 207 K 7.91 3.73 0.00 1.73 1.75 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.73 7.81 208 L 7.49 3.77 0.00 1.58 1.39 0.51 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 209 H 7.81 4.04 0.00 3.27 3.25 0.00 5.80 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 0.00 210 Y 7.60 4.44 0.00 3.19 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 0.00 211 K 8.01 3.90 0.00 1.94 1.85 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.55 7.81 212 H 8.07 4.26 0.00 3.44 3.13 0.00 5.84 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 0.00 213 E 8.26 3.88 0.00 2.25 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 2.41 2.57 0.00 214 S 8.90 4.21 0.00 3.97 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 W 7.88 4.39 0.00 3.30 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 L 7.80 3.66 0.00 0.63 1.07 0.35 -0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 217 L 7.39 4.26 0.00 1.54 1.53 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 218 H 8.48 4.46 0.00 3.18 3.32 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 R 8.07 4.21 0.00 1.89 1.94 0.00 3.16 0.00 0.00 2.25 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.63 0.00 220 T 7.91 4.19 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 1.25 0.00 0.00 221 L 7.81 4.35 0.00 1.75 1.83 0.99 0.51 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 0.00 222 K 8.64 4.33 0.00 1.84 1.78 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.18 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.52 7.81 223 T 8.08 4.66 3.63 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 0.52 0.00 0.00 224 N 8.60 5.10 0.00 2.80 2.87 0.00 0.00 6.93 8.31 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 0.00 225 F 7.90 4.79 0.00 2.88 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 0.00 226 D 7.73 4.39 0.00 2.79 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 0.00 227 Y 8.26 4.30 0.00 3.20 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 0.00 228 L 7.55 3.51 0.00 1.37 1.54 0.14 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 229 Q 7.71 4.06 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.46 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 230 E 7.76 4.63 0.00 2.06 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 2.38 0.00 231 V 7.46 4.44 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 0.82 0.00 0.00 0.93 0.00 0.00 232 P 0.00 4.49 0.00 2.14 1.93 0.00 3.73 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 2.00 2.08 0.00 233 I 8.30 4.54 1.77 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.70 0.77 0.00 0.00 234 L 7.89 4.15 0.00 0.55 0.29 0.81 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 235 T 8.37 4.94 4.19 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 1.19 0.00 0.00 236 L 8.28 4.47 0.00 1.15 1.25 0.65 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 237 D 8.54 4.77 0.00 2.60 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 0.00 238 V 7.97 4.09 1.69 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 0.04 0.00 0.00 0.91 0.00 0.00 239 N 8.69 4.56 0.00 2.95 2.89 0.00 0.00 6.88 8.10 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 0.00 240 E 8.19 4.05 0.00 2.08 1.81 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 2.37 2.43 0.00 241 D 8.74 4.91 0.00 2.66 2.61 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 0.00 0.00 0.00 0.00 242 F 8.80 5.59 0.00 3.49 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 0.00 243 K 7.39 3.79 0.00 1.63 2.03 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.49 7.81 244 D 7.29 4.45 0.00 2.72 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 0.00 245 K 7.78 4.04 0.00 1.78 1.77 0.00 1.70 0.00 0.00 1.90 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.41 7.81 246 Y 7.74 5.11 0.00 3.33 3.55 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 0.00 0.00 0.00 247 E 8.35 4.00 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 248 S 8.32 4.10 0.00 3.92 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 0.00 249 L 7.97 3.99 0.00 1.94 1.94 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 250 V 7.99 3.88 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 1.16 0.00 0.00 1.22 0.00 0.00 251 E 8.18 4.08 0.00 2.27 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 252 K 8.10 4.09 0.00 2.04 1.91 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.67 7.81 253 V 7.96 3.79 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.23 0.00 0.00 254 K 8.29 4.14 0.00 2.13 2.00 0.00 2.02 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.82 1.88 7.81 255 E 8.69 3.92 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 256 F 8.51 4.16 0.00 3.14 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 0.00 257 L 8.60 3.99 0.00 1.93 1.76 0.79 0.81 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 0.00 258 S 8.07 4.35 0.00 4.03 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 0.00 259 T 7.14 4.07 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 1.23 0.00 0.00 260 L 7.65 4.16 0.00 1.59 1.40 0.58 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.