NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *8 Q 4.2883 8.4445 119.1182 54.5640 30.7102 176.1227 9 V 3.5737 7.9408 112.5919 60.7728 31.9668 177.8607 10 E 3.8640 8.7446 117.6626 56.9527 30.5079 177.4159 11 A 4.5408 8.1710 126.8222 50.5304 21.9311 176.4826 12 I 3.8740 8.2242 119.0697 59.3375 36.1799 176.9505 13 K 3.9943 8.3878 123.7515 57.0653 33.1228 172.5813 14 R 4.6139 8.0365 129.8297 54.3345 31.6774 176.2403 15 G 4.2712 7.1772 110.6383 46.1011 0.0000 169.4757 16 T 4.4568 7.7150 116.8577 61.7636 71.1689 173.8499 17 V 4.2379 8.2803 126.8780 62.0350 33.3379 174.3362 18 I 4.8080 8.4131 130.6569 60.3747 39.4520 175.1602 19 D 4.9628 8.5785 126.5341 52.3165 44.1862 172.0762 20 H 4.1526 8.8040 110.5513 57.5521 26.6473 175.2260 21 I 3.6063 7.2806 119.9192 61.3788 37.5062 174.3061 22 P 4.4221 0.0000 0.0000 61.5552 31.9602 174.2169 23 A 3.9913 8.5364 122.0313 53.6045 17.5851 177.0178 24 Q 3.6962 8.2743 120.5418 58.0074 27.8769 175.5557 25 I 4.4213 7.4768 123.8741 61.1635 36.0102 177.3480 26 G 4.3157 9.1453 119.6936 48.0466 0.0000 175.1132 27 F 4.1999 8.1514 121.7475 60.7288 39.4676 176.9013 28 K 3.7118 8.2930 117.7023 59.8337 31.7010 179.0122 29 L 4.0304 7.9555 120.7575 58.3361 41.4259 180.0435 30 L 4.0170 7.6388 122.1140 58.9699 40.4921 181.9588 31 S 4.0300 7.3134 113.3428 61.9616 62.9823 176.3179 32 L 3.8908 7.6880 120.4833 57.0989 41.4736 178.5824 33 F 4.5306 7.6319 117.1801 56.6689 40.5372 176.4231 34 K 3.7748 7.6360 118.9452 55.6068 28.0286 179.8946 35 L 4.4939 7.8134 118.5396 55.4464 42.6751 178.3965 36 T 4.2662 7.6426 114.6583 65.1870 69.3501 175.9255 37 E 4.0101 8.3982 120.2926 59.6059 29.4264 177.8602 38 T 4.2726 7.5890 118.1650 61.8890 67.3113 174.3046 39 D 4.4601 8.2223 128.0142 53.4360 40.2939 176.2554 40 Q 5.2477 8.7533 118.2477 52.8095 29.2483 174.0663 41 R 3.8852 8.2956 117.3041 59.4328 30.1536 175.0351 42 I 4.4198 8.1901 126.8268 58.6489 36.8171 174.5842 43 T 4.0548 8.3188 120.7896 64.0091 68.1521 171.8042 44 I 3.9794 8.0578 126.5580 60.6237 37.8268 174.8909 45 G 3.5165 9.1670 117.4226 43.4546 0.0000 170.0600 46 L 3.7258 7.7214 126.4480 54.7277 44.4958 173.9914 47 N 4.2518 8.5783 120.7219 54.5815 37.2752 173.1367 48 L 4.6892 7.0774 116.1469 52.9418 43.2389 173.1873 49 P 4.6978 0.0000 0.0000 62.7328 32.3612 176.8511 50 S 4.6150 8.1698 117.2450 56.7007 64.6496 170.7857 51 G 3.8320 8.9589 107.8855 49.4929 0.0000 174.1850 52 E 3.9434 9.0800 120.3991 57.2069 26.6277 173.4432 53 M 4.6879 6.8323 114.4684 52.1694 36.0426 178.0841 54 G 3.7992 8.4855 110.7317 46.2772 0.0000 174.7594 55 R 5.6116 7.4072 127.4132 56.3578 32.0778 176.4060 56 K 4.8269 7.6841 121.4481 54.1705 34.0829 179.7669 57 D 4.6542 8.6436 125.8880 55.1070 42.3520 175.9897 58 L 4.4900 8.1147 122.4080 55.8001 45.3902 174.5649 59 I 4.4702 8.3013 117.0077 61.3162 40.6254 175.8746 60 K 4.9894 8.3221 130.6603 53.3579 34.4711 172.1275 61 I 5.0493 8.3419 120.4117 61.7294 42.2007 174.9322 62 E 5.0415 8.6012 122.5646 56.4361 32.8419 177.5093 63 N 4.2510 8.9026 114.0837 53.9405 36.5760 175.5636 64 T 4.4025 7.4177 110.1494 62.6657 68.8070 174.3333 65 F 5.1917 7.8926 116.8196 57.9170 40.4333 172.2375 66 L 4.2912 8.3377 123.9334 53.6433 42.4667 177.9639 67 S 4.3660 8.5692 119.1403 58.4744 64.3916 175.5598 68 E 4.0264 8.5725 123.8697 61.1222 29.4449 178.9314 69 D 4.5745 8.0033 119.3421 56.3680 39.4634 178.5778 70 Q 3.9638 7.9599 118.9451 58.6401 28.5617 178.7193 71 V 3.8058 7.9013 113.1643 63.6239 31.8844 177.6576 72 D 4.5808 7.8060 117.4643 55.9012 40.3897 178.3744 73 Q 4.2195 7.3771 118.5130 58.8059 28.9797 177.9189 74 L 4.2472 7.8593 119.9959 57.8490 41.3267 179.8763 75 A 3.9782 7.3028 118.9644 54.9069 18.5514 178.8610 76 L 4.3148 7.6111 113.8546 55.1704 41.8180 176.9565 77 Y 4.5880 8.5319 118.1340 58.1835 40.2297 176.4538 78 A 4.6334 7.5586 119.4309 52.3101 20.5733 176.8436 79 P 3.5781 0.0000 0.0000 64.0228 32.7745 175.3098 80 Q 3.8754 7.8971 119.5859 57.3132 28.5328 176.2907 81 A 4.3311 8.1522 119.8316 51.1064 22.2950 175.5703 82 T 4.1663 8.3770 119.6401 63.9790 70.0227 174.2182 83 V 4.9126 8.1185 123.2194 61.1404 32.9543 171.1535 84 N 5.1639 8.3379 122.3773 51.0168 39.5796 173.9396 85 R 3.7985 8.5658 124.0873 56.2744 30.7779 176.6252 86 I 4.7226 7.6689 126.0741 60.5823 36.2250 174.8483 87 D 4.4274 7.9484 129.5565 55.4317 41.9125 182.1503 88 N 4.0340 9.1984 117.6695 54.9963 36.7196 175.4888 *89 Y 4.4946 9.0648 115.0493 58.9278 40.2223 178.8563 90 E 4.7511 8.3867 116.2804 55.7475 34.1880 178.6982 91 V 4.3968 6.8995 120.2914 62.6155 29.2637 178.0260 92 V 4.4258 7.6294 123.3011 60.2209 32.7948 178.4998 93 G 4.7483 7.4949 115.8627 47.3757 0.0000 174.3312 94 K 4.7583 8.4789 129.9403 55.4172 32.9975 174.1422 95 S 4.5976 7.8891 114.9501 58.0628 66.8165 172.9005 96 R 4.6858 7.8471 117.1298 55.6868 32.3781 172.5755 97 P 4.5424 0.0000 0.0000 62.5500 33.6703 175.4050 98 S 4.3600 9.1390 115.2299 57.7467 62.4247 175.9913 99 L 4.5464 8.7145 112.7497 53.7323 43.6948 174.9264 100 P 4.6250 0.0000 0.0000 62.3227 33.4602 174.8674 101 E 4.5060 8.5611 116.3067 57.7243 31.3783 176.5436 102 R 4.5487 7.6974 117.7797 56.5263 32.7533 180.2375 103 I 4.3237 8.4839 128.0390 59.6421 37.9030 175.6997 104 D 4.9757 8.8702 127.0707 53.7828 42.1173 178.0452 105 N 3.6023 9.3988 118.0711 55.0947 39.0615 171.8203 106 V 3.3587 7.9057 112.5264 63.6786 31.4066 173.0263 107 L 4.6187 7.6132 120.1719 53.9110 43.0083 176.3398 108 V 4.5112 8.0329 120.2316 60.7095 33.5774 175.1101 109 C 4.3934 8.9775 127.1508 59.4235 31.7035 171.6920 110 P 4.2307 0.0000 0.0000 63.4379 31.1457 175.7123 111 N 4.7312 7.9216 119.2246 52.7391 39.3023 175.7315 112 S 4.2863 8.8438 121.1031 61.0550 63.3977 174.2773 113 N 4.7648 7.9590 118.0672 53.2644 38.5329 174.2840 114 C 4.3290 7.5273 116.2432 58.7870 32.3946 174.4070 115 I 3.6143 8.1416 124.6416 63.3081 37.8560 177.5277 116 S 4.1435 7.6825 114.4858 60.5281 62.7413 174.4368 117 H 4.5454 7.4912 116.7573 57.1306 28.9335 176.0190 118 A 4.3777 7.6285 119.7618 52.1992 19.2874 176.3136 119 E 4.6829 7.5527 115.4495 52.9501 33.1994 173.5276 120 P 4.5589 0.0000 0.0000 63.0474 29.9884 176.4707 121 V 4.4929 6.9259 109.7044 60.0851 35.8729 176.1616 122 S 4.3962 8.6074 119.6115 58.0285 63.6865 174.4304 123 S 4.3236 8.5743 121.6736 58.8832 64.1012 173.4553 124 S 4.9258 8.2255 118.5508 57.2366 65.9456 172.2443 125 F 5.3168 8.9286 125.9525 55.4623 41.5148 174.7139 126 A 4.5402 8.7406 126.6111 51.7611 19.3170 176.8465 127 V 4.0308 7.9572 122.0319 62.8723 32.9904 174.9565 128 R 4.4449 8.7481 124.4435 55.6044 34.5144 171.4928 129 K 3.6349 9.0520 129.3220 56.5689 30.7574 176.5292 130 R 4.0641 8.5289 124.7387 58.8804 29.0254 173.2062 131 A 4.7615 7.7231 118.6938 53.6054 26.3000 177.6591 132 N 3.8541 7.9287 116.4770 56.5130 39.1875 175.1674 133 D 5.1001 7.0409 118.0818 52.2461 42.8055 176.4232 134 I 4.1096 7.6340 124.1558 60.8482 38.5831 174.5977 135 A 4.6438 8.5937 129.0701 51.0761 20.8103 176.0446 136 L 4.9921 8.3684 120.1823 51.2641 43.0285 175.5431 137 K 5.0722 8.4568 124.3272 55.5715 33.6144 175.3507 138 C 4.1889 9.0263 127.2074 59.4839 32.4264 174.0914 139 K 3.6778 8.2590 126.8895 60.1439 31.7754 178.1393 140 Y 4.1068 8.1021 116.2916 60.8945 36.9428 176.2893 141 C 4.5745 8.1856 111.6345 57.0757 30.3940 173.2948 142 E 4.1067 7.4773 118.2065 57.6457 27.4998 174.1871 143 K 4.3286 7.4381 117.1494 54.6837 34.5665 175.7753 144 E 4.6140 8.5010 126.4385 55.2374 29.7819 175.0456 145 F 4.9813 8.5360 125.8951 55.3478 42.4433 175.8073 146 S 4.6510 8.5708 114.6315 58.2174 63.9276 175.1234 147 H 4.2699 8.5950 117.6300 58.4969 27.4905 177.6745 148 N 4.2243 7.8644 117.5510 55.7714 38.0312 177.4006 149 V 3.6718 6.9071 119.4350 65.9383 31.6478 178.0508 150 V 3.5558 7.5454 117.3684 65.3518 31.1109 177.1823 151 L 4.2974 7.6255 116.0102 55.3827 41.4782 178.4452 152 A 3.9824 7.1492 119.5611 54.5476 18.5319 177.2858 153 N 4.5455 7.5583 116.6429 53.8176 39.1345 174.2371 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 *8 Q 8.44 4.29 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 9 V 7.94 3.57 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 0.83 0.00 0.00 0.93 0.00 0.00 10 E 8.74 3.86 0.00 1.97 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 2.24 1.93 0.00 11 A 8.17 4.54 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 12 I 8.22 3.87 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 0.73 0.91 0.00 0.00 13 K 8.39 3.99 0.00 1.98 1.82 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.41 7.81 14 R 8.04 4.61 0.00 1.89 1.94 0.00 3.34 0.00 0.00 3.79 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 15 G 7.18 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 16 T 7.72 4.46 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 1.22 0.00 0.00 17 V 8.28 4.24 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 0.95 0.00 0.00 0.91 0.00 0.00 18 I 8.41 4.81 2.01 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 1.06 0.39 0.90 0.00 0.00 19 D 8.58 4.96 0.00 2.39 2.38 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 20 H 8.80 4.15 0.00 3.29 3.39 0.00 5.73 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.28 3.61 2.02 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 1.33 0.70 0.99 0.00 0.00 22 P 0.00 4.42 0.00 2.23 2.04 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.12 0.00 23 A 8.54 3.99 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 24 Q 8.27 3.70 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 25 I 7.48 4.42 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.88 1.00 0.00 0.00 26 G 9.15 4.32 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 0.00 27 F 8.15 4.20 0.00 3.14 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 28 K 8.29 3.71 0.00 1.83 1.79 0.00 1.79 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.65 7.81 29 L 7.96 4.03 0.00 1.69 1.76 0.96 0.73 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 30 L 7.64 4.02 0.00 1.62 1.68 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.31 4.03 0.00 3.68 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 32 L 7.69 3.89 0.00 1.13 0.74 0.75 0.49 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 33 F 7.63 4.53 0.00 3.15 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.64 3.77 0.00 1.90 1.68 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.01 7.81 35 L 7.81 4.49 0.00 1.72 1.74 0.93 0.82 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 36 T 7.64 4.27 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 1.21 0.00 0.00 37 E 8.40 4.01 0.00 1.96 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 2.31 2.29 0.00 38 T 7.59 4.27 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 39 D 8.22 4.46 0.00 2.78 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 40 Q 8.75 5.25 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.97 0.00 0.00 0.00 0.00 0.00 2.07 1.66 0.00 41 R 8.30 3.89 0.00 1.49 1.91 0.00 3.18 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.26 0.00 42 I 8.19 4.42 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 1.35 1.34 0.92 0.00 0.00 43 T 8.32 4.05 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 1.26 0.00 0.00 44 I 8.06 3.98 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.83 0.96 0.00 0.00 45 G 9.17 3.52 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 0.00 0.00 0.00 0.00 46 L 7.72 3.73 0.00 1.96 1.65 1.07 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.58 4.25 0.00 2.80 2.80 0.00 0.00 6.92 7.78 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 48 L 7.08 4.69 0.00 2.03 1.78 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.70 0.00 2.07 1.94 0.00 3.64 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 2.01 2.07 0.00 50 S 8.17 4.61 0.00 3.58 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 51 G 8.96 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 0.00 0.00 0.00 52 E 9.08 3.94 0.00 2.14 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 2.14 1.85 0.00 53 M 6.83 4.69 0.00 1.99 1.76 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 54 G 8.49 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.41 5.61 0.00 1.89 1.82 0.00 3.13 0.00 0.00 3.92 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.90 0.00 56 K 7.68 4.83 0.00 1.51 1.59 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.26 1.01 7.81 57 D 8.64 4.65 0.00 2.75 2.66 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 58 L 8.11 4.49 0.00 1.28 1.46 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.30 4.47 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 1.09 0.29 0.91 0.00 0.00 60 K 8.32 4.99 0.00 1.43 1.72 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.28 7.81 61 I 8.34 5.05 1.85 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 1.08 0.47 0.91 0.00 0.00 62 E 8.60 5.04 0.00 1.59 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 63 N 8.90 4.25 0.00 2.90 2.84 0.00 0.00 6.66 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 64 T 7.42 4.40 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 65 F 7.89 5.19 0.00 2.92 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 66 L 8.34 4.29 0.00 1.70 1.60 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.57 4.37 0.00 3.85 3.71 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 68 E 8.57 4.03 0.00 2.01 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 2.31 1.94 0.00 69 D 8.00 4.57 0.00 2.87 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 70 Q 7.96 3.96 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 71 V 7.90 3.81 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 0.82 0.00 0.00 0.98 0.00 0.00 72 D 7.81 4.58 0.00 2.65 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 73 Q 7.38 4.22 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.96 0.00 0.00 0.00 0.00 0.00 2.65 2.57 0.00 74 L 7.86 4.25 0.00 1.83 1.79 0.64 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.30 3.98 1.41 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 0.00 0.00 76 L 7.61 4.31 0.00 1.41 1.29 0.86 0.65 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 77 Y 8.53 4.59 0.00 3.14 3.03 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 0.00 0.00 0.00 78 A 7.56 4.63 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 79 P 0.00 3.58 0.00 2.10 2.01 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.34 0.00 80 Q 7.90 3.88 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 81 A 8.15 4.33 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 82 T 8.38 4.17 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 1.28 0.00 0.00 83 V 8.12 4.91 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 1.32 0.00 0.00 0.91 0.00 0.00 84 N 8.34 5.16 0.00 2.76 2.73 0.00 0.00 7.29 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 85 R 8.57 3.80 0.00 1.69 1.95 0.00 2.81 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.66 0.00 86 I 7.67 4.72 1.82 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 1.10 1.43 0.91 0.00 0.00 87 D 7.95 4.43 0.00 2.41 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 88 N 9.20 4.03 0.00 2.83 2.49 0.00 0.00 6.42 7.55 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 *89 Y 9.06 4.49 0.00 2.30 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 90 E 8.39 4.75 0.00 1.78 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 91 V 6.90 4.40 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.93 0.00 0.00 92 V 7.63 4.43 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 0.85 0.00 0.00 0.93 0.00 0.00 93 G 7.49 4.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.48 4.76 0.00 1.56 1.61 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.01 7.81 95 S 7.89 4.60 0.00 4.04 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 96 R 7.85 4.69 0.00 1.81 1.75 0.00 3.13 0.00 0.00 3.89 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.41 0.00 97 P 0.00 4.54 0.00 2.09 2.13 0.00 3.90 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 98 S 9.14 4.36 0.00 3.82 3.52 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 0.00 99 L 8.71 4.55 0.00 1.71 1.57 0.92 0.65 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 0.00 100 P 0.00 4.63 0.00 2.24 2.17 0.00 3.77 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 101 E 8.56 4.51 0.00 2.07 2.23 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 2.29 2.31 0.00 102 R 7.70 4.55 0.00 1.56 1.72 0.00 3.25 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.18 0.00 103 I 8.48 4.32 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.06 1.13 0.00 0.00 104 D 8.87 4.98 0.00 2.61 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 9.40 3.60 0.00 2.81 2.68 0.00 0.00 7.09 7.23 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 0.00 106 V 7.91 3.36 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 0.75 0.00 0.00 0.45 0.00 0.00 107 L 7.61 4.62 0.00 1.83 1.48 0.87 0.91 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 0.00 108 V 8.03 4.51 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 0.83 0.00 0.00 0.95 0.00 0.00 109 C 8.98 4.39 0.00 3.22 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 0.00 110 P 0.00 4.23 0.00 1.21 1.76 0.00 2.20 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.66 0.00 111 N 7.92 4.73 0.00 3.15 2.86 0.00 0.00 6.94 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 0.00 112 S 8.84 4.29 0.00 4.05 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 7.96 4.76 0.00 2.70 2.87 0.00 0.00 7.16 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 0.00 114 C 7.53 4.33 0.00 3.13 2.52 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 0.00 115 I 8.14 3.61 1.82 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 1.34 0.94 0.72 0.00 0.00 116 S 7.68 4.14 0.00 3.71 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 7.49 4.55 0.00 3.18 3.29 0.00 5.64 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 0.00 118 A 7.63 4.38 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 0.00 119 E 7.55 4.68 0.00 1.94 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 120 P 0.00 4.56 0.00 2.20 2.09 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 121 V 6.93 4.49 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.53 0.00 0.00 122 S 8.61 4.40 0.00 3.92 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 0.00 123 S 8.57 4.32 0.00 3.85 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 0.00 124 S 8.23 4.93 0.00 3.84 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 0.00 125 F 8.93 5.32 0.00 3.13 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 0.00 126 A 8.74 4.54 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 V 7.96 4.03 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 0.74 0.00 0.00 1.04 0.00 0.00 128 R 8.75 4.44 0.00 1.94 1.71 0.00 3.30 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 129 K 9.05 3.63 0.00 2.02 1.80 0.00 1.67 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.55 7.81 130 R 8.53 4.06 0.00 1.87 1.85 0.00 3.36 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 131 A 7.72 4.76 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 0.00 132 N 7.93 3.85 0.00 2.67 2.90 0.00 0.00 6.71 8.47 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 0.00 133 D 7.04 5.10 0.00 2.72 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 7.63 4.11 1.49 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.74 0.96 0.00 0.00 135 A 8.59 4.64 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 0.00 136 L 8.37 4.99 0.00 1.48 1.53 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 137 K 8.46 5.07 0.00 2.03 1.79 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.30 7.81 138 C 9.03 4.19 0.00 3.40 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 0.00 139 K 8.26 3.68 0.00 1.75 1.48 0.00 1.66 0.00 0.00 1.28 0.00 0.00 2.57 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.81 1.15 7.81 140 Y 8.10 4.11 0.00 3.00 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 0.00 141 C 8.19 4.57 0.00 3.16 3.22 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 0.00 142 E 7.48 4.11 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 143 K 7.44 4.33 0.00 1.63 1.04 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.87 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.57 1.55 7.81 144 E 8.50 4.61 0.00 1.88 1.78 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 2.20 2.38 0.00 145 F 8.54 4.98 0.00 3.00 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 0.00 146 S 8.57 4.65 0.00 4.03 4.03 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 0.00 0.00 0.00 147 H 8.60 4.27 0.00 3.18 3.65 0.00 5.27 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 7.86 4.22 0.00 2.67 2.81 0.00 0.00 6.81 7.68 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 0.00 149 V 6.91 3.67 2.26 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 0.77 0.00 0.00 0.94 0.00 0.00 150 V 7.55 3.56 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 0.55 0.00 0.00 0.64 0.00 0.00 151 L 7.63 4.30 0.00 1.75 1.64 0.82 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.15 3.98 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 0.00 153 N 7.56 4.55 0.00 2.93 2.86 0.00 0.00 6.95 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 * Residues marked with a * may have inaccurate shift predictions.