NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-3 Y 4.6195 8.1449 119.1614 56.8064 37.5220 174.0760 -2 F 4.5510 8.6393 124.5076 54.6677 41.1177 174.4966 -1 Q 4.5141 8.6419 121.7736 55.8450 32.6600 177.9640 0 G 3.6726 8.9626 112.8277 45.7156 0.0000 176.3473 -1 K 4.4941 8.6119 122.3736 56.3450 36.3600 178.5640 0 I 3.8826 8.6326 123.9277 61.7156 34.1135 177.8473 4 T 4.2596 8.5233 117.6295 60.3161 70.9511 175.5002 5 T 3.4181 7.9549 110.5494 64.1537 68.3763 176.4614 6 K 3.9498 7.9300 122.2965 59.4632 32.1033 179.4043 7 G 3.5442 8.7131 106.2906 47.7990 0.0000 175.9850 8 R 3.9129 7.7622 120.6305 59.3392 30.0981 178.9178 9 Y 4.5003 8.3777 116.9661 60.6767 37.8102 178.4876 10 G 3.6241 8.2315 107.0906 47.8155 0.0000 175.7346 11 L 4.0137 8.1328 121.5807 57.7805 41.6753 179.5930 12 T 3.8721 8.0130 115.6718 66.7231 68.2951 176.6490 13 I 3.6660 7.9343 121.8012 64.7092 37.1471 178.7303 14 T 3.8732 7.9622 110.5567 64.6711 68.5027 176.5671 15 L 3.9714 8.2985 122.2552 57.7085 41.4209 179.3241 16 E 3.9724 8.0578 117.5019 59.3612 29.5689 179.0910 17 L 4.1374 8.3095 119.1598 57.5930 41.7021 179.4439 18 A 4.0074 8.1878 121.0346 55.1253 18.1248 179.8300 19 K 4.1077 8.2048 116.1030 58.7276 32.2249 178.7908 20 R 4.7469 7.3041 117.6892 54.0137 30.7042 175.7538 21 I 3.7932 6.7117 118.9387 63.3322 37.4181 176.7084 22 G 3.9685 9.0815 113.1099 45.5614 0.0000 173.4019 23 D 4.5874 8.3878 119.2952 53.7166 40.9488 177.6781 24 G 3.8610 7.9409 109.0805 43.7517 0.0000 171.5171 25 P 4.5775 0.0000 0.0000 62.8209 32.1532 176.2887 26 I 4.6374 8.9321 124.8085 59.4830 39.7506 175.2913 27 S 4.7350 8.6093 121.3948 57.7723 64.3163 175.4296 28 L 4.0469 8.8240 121.9236 57.7694 41.3626 179.7302 29 R 4.0061 8.0544 118.7283 59.4250 29.9624 178.5514 30 S 4.1166 8.0648 113.9620 61.5060 62.9896 176.4300 31 I 3.6222 7.5970 123.0916 63.8189 36.8881 177.9734 32 A 3.9308 8.2243 121.8427 55.4532 18.0792 179.6338 33 Q 3.9170 8.4293 116.5765 59.2450 28.6159 178.6189 34 D 4.3622 8.2051 117.8948 56.7078 41.2888 177.5680 35 K 4.3294 7.8849 115.4668 54.6617 33.0299 175.6055 36 N 4.0986 7.7071 116.7863 54.9677 37.7820 173.3620 37 L 4.6567 7.5714 114.8565 52.3568 45.1054 177.3040 38 S 4.3225 8.3753 114.7849 57.8778 63.2563 174.3417 39 E 3.9281 8.8419 130.1150 59.7568 29.3451 178.0284 40 H 4.2690 8.2467 116.5964 59.4790 30.2407 176.0775 41 Y 4.3373 8.2301 121.3406 60.7861 38.6841 178.0051 42 L 3.8671 8.1842 119.9177 57.7230 41.4350 179.3487 43 E 3.9689 8.0252 117.7809 59.2068 29.3998 178.9265 44 Q 4.0710 7.6125 117.1680 58.0350 28.8419 177.6728 45 L 4.0965 7.5367 119.6928 56.5722 41.8030 178.7193 46 I 3.5017 7.5471 118.3384 63.1887 37.8848 177.8598 47 G 3.5780 7.8802 106.5418 47.5089 0.0000 173.7586 48 P 4.3646 0.0000 0.0000 64.8652 31.3482 178.7589 49 L 3.9510 7.4425 117.5842 57.6481 41.5053 179.6001 50 R 4.1758 8.1559 120.2046 59.1737 29.9241 178.4076 51 N 4.3754 8.5322 114.9217 55.7369 38.5801 176.3105 52 A 4.3995 7.8310 119.8285 51.8600 19.0885 178.0503 53 G 3.9162 7.9749 105.7433 45.4342 0.0000 174.8340 54 I 4.0507 7.9705 122.3843 63.2373 37.9757 176.2925 55 V 4.9924 7.7636 113.0446 59.3713 36.2320 174.8618 56 K 4.9020 9.0477 121.0440 54.7341 35.7760 175.6963 57 S 4.6271 8.6531 117.7181 56.9908 65.2539 173.3325 58 I 4.5590 8.2365 122.8814 59.4557 40.0020 175.7478 59 R 4.3254 8.5724 123.8620 55.8275 31.2874 176.0660 60 G 3.8426 8.7101 104.9858 44.3624 0.0000 174.2245 61 A 3.9197 8.3425 120.6604 55.1291 18.2533 178.2059 62 H 4.8276 8.0558 110.3349 55.7052 29.3396 175.9766 63 G 3.9644 8.3721 111.8748 45.3330 0.0000 172.9493 64 G 3.7250 6.8079 108.6527 44.9767 0.0000 171.9307 65 Y 5.2321 8.9557 120.9822 56.3298 42.3611 175.2858 66 V 4.8316 8.6535 114.0107 59.1148 36.3524 174.8855 67 L 4.2298 8.6140 125.2239 54.7371 42.6448 176.8627 68 N 4.8633 8.8052 126.8632 51.9928 37.7171 173.5525 69 G 3.8642 7.2035 105.9425 45.7245 0.0000 170.8536 70 D 4.5736 7.8512 119.0337 52.6096 41.8675 175.6145 71 P 4.2634 0.0000 0.0000 65.4660 31.3705 177.6633 72 E 4.2390 8.3756 117.2688 57.4863 29.6892 177.2411 73 K 4.4490 7.9803 117.1872 56.6746 34.4599 176.7656 74 I 4.1044 7.6497 120.7722 61.1066 37.5513 175.3837 75 T 4.9394 9.0142 116.2729 60.0703 72.0000 175.7748 76 A 4.0710 8.7173 124.1371 55.1517 18.2333 180.2979 77 G 3.5821 8.3627 104.6438 48.0759 0.0000 175.1480 78 D 4.4310 8.2707 121.8938 57.4411 40.7728 179.5379 79 I 3.7249 7.4230 119.2182 64.4715 37.1625 178.6313 80 I 3.6664 7.9120 120.7613 64.6138 36.8068 178.8375 81 R 4.0094 8.0562 117.1277 58.9105 29.9121 178.8816 82 T 4.0143 7.4403 114.3490 65.9024 68.4855 175.7894 83 L 4.3668 7.5272 119.1040 54.5496 42.9764 176.7573 84 E 4.4369 7.7286 117.8591 54.3914 30.8737 176.1254 85 G 3.8238 8.2555 110.7828 44.2940 0.0000 171.3328 86 P 4.1379 0.0000 0.0000 63.1245 31.5113 176.0989 87 I 4.2176 8.1839 123.7276 59.5540 38.3106 175.2262 88 V 3.9736 8.1614 125.8871 61.6401 32.1093 175.3370 89 L 4.1305 8.6112 129.9618 57.5917 42.3694 177.1340 90 V 4.1543 7.1358 114.1299 60.3623 33.6719 172.0037 91 E 4.4869 8.1778 122.9637 54.4960 31.7614 176.0648 92 S 4.9262 8.1768 123.5463 57.6529 64.0534 173.6080 *94 E 4.4652 8.7115 112.1102 56.0693 31.5955 172.8419 95 D 4.6615 8.0234 115.7577 54.2314 39.9470 176.6136 96 E 4.1025 8.0547 120.3399 56.7155 30.2446 175.7653 97 E 4.5765 8.2971 120.3472 54.1837 33.7213 176.9177 98 A 3.9630 8.4460 120.3951 55.5934 17.9738 179.5260 99 A 3.8741 7.8367 117.7067 55.4916 18.9024 179.4679 100 Q 3.6399 7.8025 115.9354 58.9852 28.8508 178.8608 101 R 3.9236 7.8183 119.0373 59.1300 30.0340 178.7037 102 E 3.9504 8.1557 119.3056 59.0259 29.3396 178.6274 103 L 3.8773 7.1079 119.3814 57.7830 42.1288 178.7412 104 W 4.7976 7.4826 117.6466 59.9841 29.3633 177.9859 105 T 4.1834 8.4382 116.2525 66.8417 67.9315 177.6974 106 R 4.1857 7.9101 117.2113 56.6047 29.8930 178.7224 *108 R 4.2390 7.9280 120.3359 56.5804 32.0146 177.0547 109 N 4.3202 8.5953 115.3683 56.3749 38.5250 177.2902 110 A 3.9860 8.0695 121.9809 55.2134 18.5244 179.9536 111 V 3.5612 7.6960 116.3494 66.0078 31.7656 177.8853 112 R 3.8941 8.1406 118.5489 59.7241 29.8556 178.2555 113 D 4.3771 8.2287 118.6119 57.1443 40.8727 178.8262 114 V 3.5701 7.6784 118.3703 66.0428 31.4580 178.0686 115 L 3.9834 7.8955 118.6521 57.9190 41.2826 178.9887 116 D 4.5042 8.0735 116.7933 55.6426 41.0641 177.0464 117 Q 4.5365 7.8566 115.8628 55.5727 30.3691 175.2571 118 T 4.5778 7.8571 116.7510 62.4034 69.8713 174.5271 119 T 4.9539 8.7717 117.4563 60.0126 72.2546 175.7185 120 L 3.9986 8.5153 121.6844 58.1631 41.5323 180.1982 121 S 4.1080 8.2150 114.9831 61.6594 62.8693 176.2629 122 D 4.3817 8.1645 121.5149 57.5130 40.3502 179.1442 123 L 4.0209 7.6392 118.0919 57.8628 41.7851 179.1534 124 L 4.1622 7.9634 117.8539 57.8423 41.5608 179.5296 125 K 3.9120 8.1295 118.0295 57.6956 33.3107 177.2801 126 H 4.0478 7.4782 112.5124 56.6150 27.4217 174.5683 127 S 4.5859 7.6132 112.3235 59.0808 64.3034 174.9978 128 T 4.2429 7.6457 118.6235 62.5608 69.1567 173.8928 129 D 4.4475 8.6627 126.0755 54.2157 41.5502 176.3058 130 S 4.2799 8.7901 121.9754 59.6548 63.2653 175.1223 131 E 3.6954 8.5576 116.9027 56.4408 26.8373 174.5070 132 L 4.1260 7.4813 119.4568 53.9015 40.3997 176.7347 133 T 3.9067 8.3231 115.4340 64.4660 68.8152 173.5556 134 D 4.1387 7.8896 118.5136 53.2423 41.6401 175.1593 135 G 3.6222 8.2436 108.2411 45.4782 0.0000 172.8999 136 Y 4.5130 7.7784 111.1958 55.8964 38.0358 174.5274 *138 F 4.0198 7.8052 116.4535 57.2436 39.5807 174.2400 139 Y 4.6099 8.0087 123.2104 56.7883 39.0587 176.2173 140 I 4.1005 8.4506 115.9307 61.2159 38.0278 175.6134 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 *-3 Y 8.14 4.62 0.00 2.35 2.22 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 -2 F 8.64 4.55 0.00 2.99 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 Q 8.64 4.51 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 0 G 8.96 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 0.00 0.00 0.00 -1 K 8.61 4.49 0.00 1.80 1.81 0.00 0.61 0.00 0.00 1.71 0.00 0.00 2.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.38 7.81 0 I 8.63 3.88 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.48 0.91 0.00 0.00 4 T 8.52 4.26 4.12 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 1.20 0.00 0.00 5 T 7.95 3.42 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 6 K 7.93 3.95 0.00 1.99 1.90 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.47 7.81 7 G 8.71 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 8 R 7.76 3.91 0.00 1.74 2.00 0.00 2.91 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 9 Y 8.38 4.50 0.00 2.98 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 10 G 8.23 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 11 L 8.13 4.01 0.00 1.90 1.73 0.90 0.58 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 12 T 8.01 3.87 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 1.15 0.00 0.00 13 I 7.93 3.67 1.96 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.75 0.81 0.00 0.00 14 T 7.96 3.87 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 1.21 0.00 0.00 15 L 8.30 3.97 0.00 1.74 1.76 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.06 3.97 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 17 L 8.31 4.14 0.00 1.82 1.81 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.19 4.01 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 19 K 8.20 4.11 0.00 1.91 1.90 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.68 7.81 20 R 7.30 4.75 0.00 1.89 1.96 0.00 3.28 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.49 0.00 21 I 6.71 3.79 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.65 0.91 0.00 0.00 22 G 9.08 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.39 4.59 0.00 2.82 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.94 3.86 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 0.00 0.00 0.00 25 P 0.00 4.58 0.00 2.12 1.94 0.00 3.64 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 2.12 2.09 0.00 26 I 8.93 4.64 1.93 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 1.31 0.92 0.94 0.00 0.00 27 S 8.61 4.73 0.00 3.93 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 28 L 8.82 4.05 0.00 1.77 1.77 0.79 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.05 4.01 0.00 2.17 1.94 0.00 3.19 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 30 S 8.06 4.12 0.00 4.12 4.12 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 31 I 7.60 3.62 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.69 0.86 0.00 0.00 32 A 8.22 3.93 1.46 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 0.00 0.00 0.00 33 Q 8.43 3.92 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 34 D 8.21 4.36 0.00 2.71 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 35 K 7.88 4.33 0.00 1.70 1.68 0.00 1.88 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.48 7.81 36 N 7.71 4.10 0.00 2.71 2.80 0.00 0.00 6.92 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.57 4.66 0.00 1.50 1.34 0.31 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.38 4.32 0.00 3.94 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 39 E 8.84 3.93 0.00 2.09 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 2.53 2.39 0.00 40 H 8.25 4.27 0.00 3.15 3.40 0.00 5.98 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.23 4.34 0.00 3.11 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.18 3.87 0.00 1.82 1.60 0.85 0.77 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 43 E 8.03 3.97 0.00 2.16 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 2.39 2.50 0.00 44 Q 7.61 4.07 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.95 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 45 L 7.54 4.10 0.00 1.60 1.54 0.79 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.55 3.50 1.61 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.89 0.79 0.00 0.00 47 G 7.88 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 48 P 0.00 4.36 0.00 2.11 2.07 0.00 3.62 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 2.13 0.00 49 L 7.44 3.95 0.00 1.83 1.66 0.83 0.71 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 50 R 8.16 4.18 0.00 2.04 2.10 0.00 3.22 0.00 0.00 3.45 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 51 N 8.53 4.38 0.00 2.67 2.87 0.00 0.00 7.05 7.38 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 52 A 7.83 4.40 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 53 G 7.97 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 54 I 7.97 4.05 1.98 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 1.22 0.49 0.90 0.00 0.00 55 V 7.76 4.99 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.96 0.00 0.00 56 K 9.05 4.90 0.00 1.68 1.65 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.53 7.81 57 S 8.65 4.63 0.00 3.44 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 58 I 8.24 4.56 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.64 0.86 0.00 0.00 59 R 8.57 4.33 0.00 1.77 1.88 0.00 2.98 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 60 G 8.71 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.34 3.92 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 62 H 8.06 4.83 0.00 3.15 3.29 0.00 5.70 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 63 G 8.37 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 6.81 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 65 Y 8.96 5.23 0.00 2.84 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.65 4.83 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 0.74 0.00 0.00 0.95 0.00 0.00 67 L 8.61 4.23 0.00 1.65 1.58 0.98 0.98 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 68 N 8.81 4.86 0.00 2.62 3.06 0.00 0.00 7.05 7.99 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 69 G 7.20 3.86 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 0.00 0.00 0.00 70 D 7.85 4.57 0.00 2.69 2.55 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 71 P 0.00 4.26 0.00 2.25 2.30 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 72 E 8.38 4.24 0.00 2.06 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 2.40 2.42 0.00 73 K 7.98 4.45 0.00 1.69 1.82 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.36 7.81 74 I 7.65 4.10 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.75 0.90 0.00 0.00 75 T 9.01 4.94 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 76 A 8.72 4.07 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 77 G 8.36 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 78 D 8.27 4.43 0.00 2.90 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.42 3.72 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.48 0.88 0.00 0.00 80 I 7.91 3.67 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.94 0.87 0.00 0.00 81 R 8.06 4.01 0.00 1.84 1.97 0.00 3.15 0.00 0.00 3.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 82 T 7.44 4.01 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 83 L 7.53 4.37 0.00 1.50 1.64 0.89 1.08 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 84 E 7.73 4.44 0.00 1.98 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 2.23 2.33 0.00 85 G 8.26 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 86 P 0.00 4.14 0.00 2.03 2.02 0.00 3.64 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 2.02 2.11 0.00 87 I 8.18 4.22 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.73 0.88 0.00 0.00 88 V 8.16 3.97 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 0.73 0.00 0.00 0.90 0.00 0.00 89 L 8.61 4.13 0.00 1.60 1.64 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.14 4.15 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 0.27 0.00 0.00 -0.21 0.00 0.00 91 E 8.18 4.49 0.00 1.83 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 92 S 8.18 4.93 0.00 4.05 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 *94 E 8.71 4.47 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.88 0.00 95 D 8.02 4.66 0.00 2.78 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 96 E 8.05 4.10 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 97 E 8.30 4.58 0.00 1.96 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 0.00 2.30 2.48 0.00 98 A 8.45 3.96 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 99 A 7.84 3.87 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 0.00 100 Q 7.80 3.64 0.00 2.09 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 101 R 7.82 3.92 0.00 1.99 2.03 0.00 3.21 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 102 E 8.16 3.95 0.00 2.03 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 2.25 2.30 0.00 103 L 7.11 3.88 0.00 1.35 1.02 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 104 W 7.48 4.80 0.00 3.37 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 0.00 105 T 8.44 4.18 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 1.24 0.00 0.00 106 R 7.91 4.19 0.00 2.03 1.96 0.00 3.14 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 *108 R 7.93 4.24 0.00 2.04 2.20 0.00 3.37 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 109 N 8.60 4.32 0.00 2.76 2.88 0.00 0.00 6.99 7.02 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 0.00 110 A 8.07 3.99 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 0.00 111 V 7.70 3.56 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.95 0.00 0.00 112 R 8.14 3.89 0.00 1.95 2.15 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 113 D 8.23 4.38 0.00 2.91 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 0.00 114 V 7.68 3.57 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 1.01 0.00 0.00 0.93 0.00 0.00 115 L 7.90 3.98 0.00 1.92 1.69 0.90 1.12 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 0.00 116 D 8.07 4.50 0.00 2.73 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 0.00 117 Q 7.86 4.54 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.65 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 118 T 7.86 4.58 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 119 T 8.77 4.95 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 120 L 8.52 4.00 0.00 1.86 1.77 0.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.21 4.11 0.00 3.94 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 0.00 122 D 8.16 4.38 0.00 2.95 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 0.00 123 L 7.64 4.02 0.00 1.80 1.74 0.91 1.01 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 0.00 124 L 7.96 4.16 0.00 1.74 1.75 0.93 1.24 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 0.00 125 K 8.13 3.91 0.00 1.87 1.82 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.62 7.81 126 H 7.48 4.05 0.00 3.34 3.64 0.00 5.74 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 0.00 127 S 7.61 4.59 0.00 4.00 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 0.00 128 T 7.65 4.24 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 129 D 8.66 4.45 0.00 2.64 2.62 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 0.00 130 S 8.79 4.28 0.00 4.20 4.11 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 0.00 131 E 8.56 3.70 0.00 2.16 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 2.22 2.52 0.00 132 L 7.48 4.13 0.00 1.47 1.47 0.06 0.07 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 0.00 133 T 8.32 3.91 4.21 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 1.19 0.00 0.00 134 D 7.89 4.14 0.00 2.63 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 0.00 135 G 8.24 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 0.00 136 Y 7.78 4.51 0.00 2.96 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *138 F 7.81 4.02 0.00 3.02 3.13 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 0.00 139 Y 8.01 4.61 0.00 2.99 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 0.00 140 I 8.45 4.10 1.95 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 1.37 0.63 1.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.