NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 D 4.6303 8.3644 119.5596 53.0930 40.5269 173.8553 10 L 4.5881 8.3220 127.1972 51.6607 44.0333 174.6315 11 D 4.7504 9.2111 126.9879 52.2352 41.1458 176.3432 12 V 3.8271 8.3015 126.5079 64.4410 31.7845 178.9461 13 Q 4.1466 8.0045 117.9281 57.7574 28.7476 177.2164 14 K 4.1959 7.6699 116.6531 56.9244 32.3920 177.2961 15 V 4.3540 7.5159 108.8234 62.5971 31.9989 176.4300 16 A 4.3390 7.3469 123.3566 53.2392 19.3309 176.4146 17 G 3.8913 8.6444 106.4279 44.4042 0.0000 172.5557 18 T 4.6151 8.2528 118.2315 63.1156 69.1549 174.5318 19 W 5.3452 8.6833 125.0923 55.1810 33.7937 174.2136 20 Y 4.9855 9.4544 118.6418 56.2869 41.4795 175.3210 21 S 4.7641 9.0935 119.7354 58.9658 62.6208 173.7451 22 L 4.4821 9.4348 129.1042 57.4199 43.1473 176.3022 23 A 5.3945 7.6484 118.2937 50.9672 23.3258 174.5478 24 M 5.3176 9.1315 114.9012 54.4307 34.9787 173.7517 25 A 5.3032 9.4804 122.4970 50.4701 23.4385 174.6665 26 A 5.1167 8.5798 119.9958 50.1865 22.5103 177.7478 27 S 4.5978 9.0439 115.4012 59.8027 64.3178 174.0047 28 D 4.8761 7.9166 120.3783 51.9396 43.0836 175.9436 29 I 3.7331 8.6710 128.1144 64.6521 37.2440 178.3826 30 S 4.2879 8.3312 113.1754 60.5319 63.2493 175.4645 31 L 4.1414 8.0365 120.8948 56.7329 41.3992 177.7312 32 L 4.6255 7.8383 116.8044 54.0516 43.4499 175.9621 33 D 4.5738 9.3176 117.1973 53.7695 40.4554 172.8084 34 A 4.5570 8.1831 123.5722 49.4727 19.5168 178.6569 35 Q 3.8919 8.1501 121.7124 58.1210 28.7887 177.5880 36 S 4.7608 7.6317 109.6566 57.5506 64.1823 174.1635 37 A 4.1609 7.6699 125.6064 51.7975 18.7000 176.9628 38 P 4.2848 0.0000 0.0000 65.5057 31.2931 177.2937 39 L 4.4913 8.0231 116.2620 54.3931 42.1075 177.6268 40 R 4.1462 7.5587 121.2046 54.9683 28.3680 175.8098 41 V 4.5192 7.1263 112.2340 59.5466 34.5821 175.2181 42 Y 4.6152 8.7242 121.6400 56.0295 39.8814 175.4291 43 V 3.9335 8.8901 126.1418 63.2542 31.9542 175.3116 44 E 4.5868 9.3807 126.8458 57.7281 32.1410 175.6005 45 E 5.3013 7.8176 117.3191 55.0812 33.4152 173.7881 46 L 5.0113 9.1801 125.9430 52.9677 44.7558 175.6437 47 K 4.6921 9.3439 123.3216 53.6123 34.4257 174.0045 48 P 4.8855 0.0000 0.0000 62.7510 32.4589 176.3828 49 T 4.3772 8.6498 113.2201 59.9946 70.6689 174.0996 50 P 4.2100 0.0000 0.0000 65.8745 31.3846 177.9921 51 G 3.8113 8.0414 103.6963 45.7922 0.0000 174.1773 52 G 3.9342 8.1158 106.8077 45.1416 0.0000 173.8095 53 D 4.9127 7.9182 119.8479 53.7098 42.8390 174.8877 54 L 4.7491 8.8626 121.7102 53.2871 45.0873 174.5259 55 E 4.8054 8.8618 127.8998 55.0804 31.3503 174.4331 56 I 4.4968 8.9195 128.3978 59.5987 39.6833 174.4290 57 L 5.1067 8.8228 128.0583 52.9640 43.8607 175.7427 58 L 5.3564 8.9458 123.3078 54.3093 44.8307 174.9606 59 Q 5.3388 9.0277 117.2398 54.3080 32.5395 175.1996 60 K 4.9081 8.7528 122.5273 54.8916 36.3233 174.9098 61 W 4.3823 9.5523 130.0478 58.3157 28.9584 175.1461 62 E 4.5271 8.4830 118.3739 56.8932 31.6449 172.9851 63 N 4.8913 7.2470 114.6493 52.0551 38.8703 175.0572 64 G 3.3312 7.8452 105.2835 45.1700 0.0000 172.2743 65 K 4.2566 6.6681 119.4666 54.0146 35.4703 175.5012 66 C 4.8534 8.5042 121.7384 57.0504 37.0124 172.9513 67 A 4.8329 8.7842 124.3286 50.0328 22.4840 174.8632 68 Q 4.6526 8.7493 122.7124 55.7679 30.1753 174.9529 69 K 4.6973 8.9121 126.9308 54.5321 35.4790 174.4728 70 K 5.0426 8.6523 125.5344 54.7726 34.3259 175.5687 71 I 4.5749 8.6609 125.2387 59.4986 40.6636 174.4576 72 I 4.5700 8.4254 127.0172 60.1327 38.6114 174.8525 73 A 4.7634 9.2751 130.4911 50.4529 20.7024 175.4381 74 E 4.9951 9.2725 123.7458 55.4138 31.1018 176.9327 75 K 4.5621 9.8879 124.7313 57.2908 33.6942 175.7433 76 T 4.6626 7.7738 110.2512 59.6117 71.8344 173.3508 77 E 3.9349 8.9574 120.6929 59.2136 29.5409 178.1438 78 I 4.1735 7.2034 119.3973 59.4430 37.4577 173.5716 79 P 3.6353 0.0000 0.0000 64.2644 32.3927 176.3079 80 A 4.6169 7.5225 119.9570 51.3119 19.2946 176.9458 81 V 4.4807 6.8831 120.1678 62.2489 34.5384 174.6089 82 F 5.1416 9.4061 127.0318 55.7949 42.5691 174.6740 83 K 5.1524 9.0816 121.6558 55.1968 33.8183 175.8729 84 I 4.9794 8.2601 117.4357 59.2863 41.4880 173.9288 85 D 5.1036 8.3337 121.5115 51.3937 41.0184 173.8709 86 A 4.4229 9.0456 122.7192 51.6882 22.7599 176.3404 87 L 3.5927 9.3383 117.1166 55.8461 39.3156 175.3211 88 N 4.1680 8.3827 111.4100 53.9846 36.5026 174.3293 89 E 4.5273 7.9363 118.3610 55.6766 30.8450 176.0677 90 N 5.9450 8.8690 116.1948 51.4487 39.3377 173.6852 91 K 5.0423 7.9116 117.8372 55.3479 37.1798 174.8532 92 V 4.9745 8.9182 123.0976 61.1593 34.7090 174.1609 93 L 5.0995 9.0571 127.8847 52.7944 44.2310 176.0579 94 V 4.2020 8.5395 125.7616 62.9368 31.2479 175.9694 95 L 4.2874 9.0962 129.7715 57.5843 42.2611 177.3416 96 D 4.6473 7.9267 114.9050 53.9939 44.3928 174.2856 97 T 4.5100 8.3328 118.1775 60.8469 70.4196 172.8235 98 D 4.5978 7.1489 123.3408 52.7061 40.2137 176.7781 99 Y 4.2427 7.5597 119.4324 58.1264 37.3367 170.1234 100 K 4.4153 7.9380 115.9935 56.3707 33.6460 176.5947 101 K 4.6113 8.1947 117.9356 57.5409 34.8519 175.2562 102 Y 5.7971 8.3099 116.3939 55.6288 41.9845 173.7262 103 L 5.0246 9.2918 122.2864 53.4602 46.0104 174.7625 104 L 5.4625 8.9169 125.5520 53.0438 44.8212 175.5232 105 F 5.5047 8.5034 117.0381 55.9639 42.0299 172.3648 106 C 5.5344 9.5077 115.9903 55.3120 45.8335 173.1621 107 M 5.6121 9.1851 118.5593 53.9001 34.2683 174.1328 108 E 5.1712 8.9398 117.6811 55.7085 34.1142 173.2663 109 N 5.3090 8.7465 122.0018 52.5422 40.0212 176.2738 110 S 4.2011 9.3771 124.2959 60.9136 62.7845 172.3612 111 A 4.1605 8.0359 123.1885 55.6617 18.6388 178.4492 112 E 4.7899 8.0529 110.6441 53.6530 30.0082 176.7741 113 P 4.5196 0.0000 0.0000 64.4564 32.0859 177.5266 114 E 4.4532 7.8172 120.8949 57.5897 31.3667 176.9064 115 Q 4.4747 8.0577 114.9363 55.1114 27.7701 180.1821 116 S 4.7472 7.6117 111.0812 59.5591 67.7645 173.9419 117 L 4.5186 7.8989 122.5190 54.8841 42.9604 175.4573 118 A 5.1974 8.9938 127.7435 50.3535 22.5090 173.9830 119 C 5.1985 9.5389 117.9566 55.2169 39.3325 173.3107 120 Q 4.8785 8.1119 120.4012 54.0878 32.6250 174.2793 121 C 4.3566 7.7745 122.2535 57.7354 33.0738 172.4790 122 L 5.2298 8.9680 127.7754 54.0211 43.2197 176.5620 123 V 5.2619 9.2984 115.8997 59.7527 35.0088 177.0570 124 R 3.9193 8.4791 122.1997 58.3294 30.3738 177.2533 125 T 4.7329 7.7399 106.8974 58.8262 71.9849 172.4245 126 P 4.0734 0.0000 0.0000 62.2104 30.1857 176.4441 127 E 4.5593 7.4114 116.0407 54.7198 33.6075 176.3566 128 V 3.6171 8.5200 122.9193 62.1173 31.6422 174.7696 129 D 4.8849 8.5991 124.5874 52.8249 42.8599 176.3496 130 D 4.5676 8.4778 124.7724 56.2503 41.5342 178.7286 131 E 3.9051 8.2255 119.2953 58.9738 29.6408 178.6158 132 A 3.6506 7.9252 121.0141 55.4293 18.6355 179.6155 133 M 4.1953 7.9302 116.5382 57.5587 31.9601 177.7567 134 E 4.4202 7.8828 118.2652 56.9904 30.6783 177.8846 135 K 3.9825 7.6944 118.8116 59.1037 31.9725 179.0375 136 F 4.3615 8.2073 121.2111 61.3296 39.2459 176.9855 137 D 4.1635 8.0305 118.3848 57.2058 40.3736 178.6871 138 K 3.8369 7.7557 118.7874 59.4676 31.9363 178.4224 139 A 4.0782 7.6506 120.9179 55.1299 18.4119 179.6537 140 L 3.8270 7.7712 119.8529 58.1849 41.3254 180.4142 141 K 4.0287 7.6206 122.3529 58.7791 31.7424 182.0327 142 A 4.4876 7.4332 116.9763 52.4873 19.4056 177.1491 143 L 4.5129 6.6528 116.6823 52.6253 44.1538 175.5764 144 P 4.5161 0.0000 0.0000 61.9816 30.0659 175.3616 145 M 4.6160 7.3313 119.3268 55.7194 33.5120 176.3127 146 H 4.9425 8.7874 117.6707 55.3469 30.9742 173.3864 147 I 4.7179 7.4846 118.4704 59.5033 41.6049 173.6958 148 R 5.1720 8.4852 125.7876 54.5515 34.1047 174.4215 149 L 4.8914 9.5600 122.4340 52.9218 45.8997 175.7026 150 S 4.9641 8.1748 115.0682 56.5933 66.2555 172.9910 151 F 5.2150 8.6092 119.5483 55.4920 41.8432 175.1325 152 N 4.4956 9.0794 121.6812 53.5802 39.4675 174.1227 *153 P 4.9319 0.0000 0.0000 61.4296 30.2468 174.5148 154 T 4.8713 7.4727 119.7965 64.4066 76.4400 177.0563 155 Q 4.0369 8.1883 119.9817 58.8891 28.4129 178.7823 156 L 4.0645 7.6470 119.3217 57.4353 41.7167 178.8529 157 E 4.1593 8.1429 120.0662 59.3127 29.5756 178.6851 *158 E 4.2837 7.9049 116.9635 56.2519 30.5502 183.8539 159 Q 2.7707 8.4881 113.2402 57.4822 29.2732 173.2836 160 C 3.5157 8.6190 124.5043 57.0976 44.6867 172.0366 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 9 D 8.36 4.63 0.00 2.71 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 10 L 8.32 4.59 0.00 1.72 1.65 1.03 1.20 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 11 D 9.21 4.75 0.00 2.62 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 0.00 0.00 0.00 12 V 8.30 3.83 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 0.86 0.00 0.00 1.21 0.00 0.00 13 Q 8.00 4.15 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 14 K 7.67 4.20 0.00 1.37 1.06 0.00 1.57 0.00 0.00 1.50 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.83 1.36 7.81 15 V 7.52 4.35 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 0.93 0.00 0.00 0.97 0.00 0.00 16 A 7.35 4.34 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 17 G 8.64 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.25 4.62 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 0.95 0.00 0.00 19 W 8.68 5.35 0.00 3.02 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 9.45 4.99 0.00 2.92 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 21 S 9.09 4.76 0.00 3.93 3.95 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 22 L 9.43 4.48 0.00 1.86 1.66 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.65 5.39 1.14 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 0.00 0.00 24 M 9.13 5.32 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.66 0.00 25 A 9.48 5.30 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 26 A 8.58 5.12 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 9.04 4.60 0.00 3.92 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 28 D 7.92 4.88 0.00 2.66 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.67 3.73 1.86 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 1.47 0.58 0.90 0.00 0.00 30 S 8.33 4.29 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 31 L 8.04 4.14 0.00 1.85 1.76 0.98 0.13 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 32 L 7.84 4.63 0.00 1.54 1.58 0.89 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 33 D 9.32 4.57 0.00 2.65 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 34 A 8.18 4.56 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 35 Q 8.15 3.89 0.00 1.33 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.15 1.85 0.00 36 S 7.63 4.76 0.00 4.21 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 0.00 37 A 7.67 4.16 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.28 0.00 2.21 2.23 0.00 3.93 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 2.00 2.02 0.00 39 L 8.02 4.49 0.00 1.79 1.71 0.98 1.25 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 40 R 7.56 4.15 0.00 1.77 2.00 0.00 3.23 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 41 V 7.13 4.52 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 nan 0.00 0.00 0.95 0.00 0.00 42 Y 8.72 4.62 0.00 2.93 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.89 3.93 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 0.67 0.00 0.00 0.98 0.00 0.00 44 E 9.38 4.59 0.00 2.06 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 2.17 2.22 0.00 45 E 7.82 5.30 0.00 1.99 1.72 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 2.41 2.30 0.00 46 L 9.18 5.01 0.00 1.81 1.48 0.61 0.26 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 47 K 9.34 4.69 0.00 1.55 1.69 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.50 7.81 48 P 0.00 4.89 0.00 1.94 1.99 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 49 T 8.65 4.38 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 50 P 0.00 4.21 0.00 2.06 2.16 0.00 3.67 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 2.03 2.09 0.00 51 G 8.04 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 52 G 8.12 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 0.00 0.00 0.00 53 D 7.92 4.91 0.00 2.68 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.86 4.75 0.00 1.15 0.96 0.79 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.86 4.81 0.00 2.09 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 2.20 2.24 0.00 56 I 8.92 4.50 1.75 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.57 0.73 0.00 0.00 57 L 8.82 5.11 0.00 1.67 1.55 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.95 5.36 0.00 1.93 1.75 0.98 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 9.03 5.34 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 60 K 8.75 4.91 0.00 1.96 1.68 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.59 7.81 61 W 9.55 4.38 0.00 3.48 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 62 E 8.48 4.53 0.00 1.99 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 2.16 2.08 0.00 63 N 7.25 4.89 0.00 2.54 2.61 0.00 0.00 7.01 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 7.85 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 6.67 4.26 0.00 1.51 1.40 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.30 7.81 66 C 8.50 4.85 0.00 2.87 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 67 A 8.78 4.83 1.18 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 0.00 0.00 68 Q 8.75 4.65 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.64 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 69 K 8.91 4.70 0.00 1.88 1.60 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.39 7.81 70 K 8.65 5.04 0.00 1.64 1.68 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.43 7.81 71 I 8.66 4.57 1.82 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 1.22 0.85 0.89 0.00 0.00 72 I 8.43 4.57 1.86 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 1.27 0.78 0.89 0.00 0.00 73 A 9.28 4.76 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 9.27 5.00 0.00 2.11 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 2.32 2.28 0.00 75 K 9.89 4.56 0.00 1.69 2.08 0.00 1.57 0.00 0.00 1.85 0.00 0.00 3.15 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.37 7.81 76 T 7.77 4.66 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 1.25 0.00 0.00 77 E 8.96 3.93 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 78 I 7.20 4.17 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.75 0.87 0.00 0.00 79 P 0.00 3.64 0.00 2.00 1.98 0.00 3.61 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 80 A 7.52 4.62 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 6.88 4.48 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.89 0.00 0.00 82 F 9.41 5.14 0.00 2.98 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 83 K 9.08 5.15 0.00 1.72 1.75 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.39 7.81 84 I 8.26 4.98 1.88 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 1.22 0.88 0.98 0.00 0.00 85 D 8.33 5.10 0.00 2.66 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 86 A 9.05 4.42 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 9.34 3.59 0.00 1.80 1.76 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.38 4.17 0.00 2.87 2.92 0.00 0.00 7.13 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 89 E 7.94 4.53 0.00 2.15 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 2.53 2.42 0.00 90 N 8.87 5.95 0.00 2.80 2.98 0.00 0.00 6.66 6.15 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 91 K 7.91 5.04 0.00 1.84 1.73 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.47 7.81 92 V 8.92 4.97 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 1.05 0.00 0.00 0.95 0.00 0.00 93 L 9.06 5.10 0.00 1.64 1.62 0.96 1.03 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 94 V 8.54 4.20 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 0.74 0.00 0.00 1.08 0.00 0.00 95 L 9.10 4.29 0.00 1.79 1.78 1.03 0.90 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 96 D 7.93 4.65 0.00 2.85 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 97 T 8.33 4.51 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 0.32 0.00 0.00 98 D 7.15 4.60 0.00 2.83 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 99 Y 7.56 4.24 0.00 3.26 3.38 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 0.00 100 K 7.94 4.42 0.00 1.77 1.84 0.00 1.86 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.41 7.81 101 K 8.19 4.61 0.00 2.00 1.97 0.00 1.75 0.00 0.00 1.94 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.46 7.81 102 Y 8.31 5.80 0.00 3.15 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 0.00 103 L 9.29 5.02 0.00 1.00 0.54 0.51 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.92 5.46 0.00 1.77 1.69 1.09 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.50 5.50 0.00 3.07 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 C 9.51 5.53 0.00 2.90 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 M 9.19 5.61 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 108 E 8.94 5.17 0.00 2.06 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 2.23 2.27 0.00 109 N 8.75 5.31 0.00 3.08 2.73 0.00 0.00 7.70 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 9.38 4.20 0.00 3.66 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 0.00 111 A 8.04 4.16 1.36 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 0.00 0.00 0.00 112 E 8.05 4.79 0.00 1.87 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 2.12 2.07 0.00 113 P 0.00 4.52 0.00 2.17 2.32 0.00 3.68 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 1.99 1.96 0.00 114 E 7.82 4.45 0.00 1.89 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 2.22 2.21 0.00 115 Q 8.06 4.47 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.58 0.00 0.00 0.00 0.00 0.00 2.28 1.91 0.00 116 S 7.61 4.75 0.00 3.94 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 0.00 117 L 7.90 4.52 0.00 2.07 1.52 0.96 0.88 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 0.00 118 A 8.99 5.20 1.18 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 0.00 0.00 119 C 9.54 5.20 0.00 2.84 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 8.11 4.88 0.00 1.22 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.04 1.75 0.00 121 C 7.77 4.36 0.00 1.46 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.97 5.23 0.00 1.64 1.88 0.54 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 123 V 9.30 5.26 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 0.85 0.00 0.00 1.24 0.00 0.00 124 R 8.48 3.92 0.00 1.48 1.73 0.00 2.80 0.00 0.00 2.51 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.44 0.00 125 T 7.74 4.73 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 126 P 0.00 4.07 0.00 1.85 1.11 0.00 3.53 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 127 E 7.41 4.56 0.00 1.87 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 2.16 2.20 0.00 128 V 8.52 3.62 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 0.69 0.00 0.00 0.95 0.00 0.00 129 D 8.60 4.88 0.00 2.81 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 8.48 4.57 0.00 2.72 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 0.00 131 E 8.23 3.91 0.00 2.03 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 2.32 2.38 0.00 132 A 7.93 3.65 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 0.00 133 M 7.93 4.20 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.84 0.00 134 E 7.88 4.42 0.00 2.09 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 2.19 2.30 0.00 135 K 7.69 3.98 0.00 1.74 1.65 0.00 1.40 0.00 0.00 1.27 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.37 7.81 136 F 8.21 4.36 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 0.00 137 D 8.03 4.16 0.00 2.94 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.76 3.84 0.00 1.88 1.98 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.43 7.81 139 A 7.65 4.08 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 0.00 140 L 7.77 3.83 0.00 1.69 1.47 -0.11 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 141 K 7.62 4.03 0.00 1.82 1.73 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.32 7.81 142 A 7.43 4.49 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 0.00 143 L 6.65 4.51 0.00 1.56 1.53 0.85 1.01 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 0.00 144 P 0.00 4.52 0.00 2.28 2.21 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 145 M 7.33 4.62 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 146 H 8.79 4.94 0.00 3.12 3.27 0.00 5.82 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 0.00 147 I 7.48 4.72 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.36 0.98 0.00 0.00 148 R 8.49 5.17 0.00 1.64 1.75 0.00 3.14 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 149 L 9.56 4.89 0.00 1.13 1.13 1.01 0.31 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 0.00 150 S 8.17 4.96 0.00 3.73 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 F 8.61 5.21 0.00 3.02 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 N 9.08 4.50 0.00 3.00 2.79 0.00 0.00 7.16 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *153 P 0.00 4.93 0.00 2.09 1.89 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.61 0.00 154 T 7.47 4.87 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 1.22 0.00 0.00 155 Q 8.19 4.04 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.92 0.00 0.00 0.00 0.00 0.00 2.53 2.65 0.00 156 L 7.65 4.06 0.00 1.53 1.53 0.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 157 E 8.14 4.16 0.00 2.01 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 2.30 2.30 0.00 *158 E 7.90 4.28 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 159 Q 8.49 2.77 0.00 1.97 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 160 C 8.62 3.52 0.00 2.46 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 * Residues marked with a * may have inaccurate shift predictions.