NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4920 8.3349 115.4175 57.5101 63.6136 173.1349 3 N 4.8350 7.7348 116.0676 52.6361 42.5516 173.0311 4 T 4.4321 9.0802 118.3426 63.8851 70.0879 174.2467 5 L 5.0209 8.0173 119.2165 53.9787 44.2546 176.4457 6 F 4.7398 7.8708 118.0547 57.7490 42.4905 171.8433 7 D 5.3378 6.9872 122.9831 52.8815 44.1883 173.6544 8 D 4.4883 7.8130 125.8558 54.4297 46.0312 174.8033 9 I 5.1933 8.9367 123.3666 59.6796 40.0778 175.0803 10 F 5.2581 9.4301 124.1236 55.6244 43.4757 173.6932 11 Q 5.5173 8.8629 119.7826 53.2090 32.0240 173.3088 12 V 3.7942 8.7945 127.0121 63.7455 31.8539 176.1935 13 S 4.1615 9.2736 123.4539 60.6825 62.5240 173.6830 14 E 4.7634 7.8845 117.8908 55.2095 32.9009 173.1360 15 V 4.7702 8.3792 124.3326 61.1422 33.8467 174.2018 16 D 4.8220 9.2107 127.2259 51.8011 44.1550 173.1493 17 P 4.9466 0.0000 0.0000 61.3324 29.8969 175.8503 18 G 3.6839 8.1685 114.2066 46.5938 0.0000 171.1876 19 R 3.8234 8.2120 127.7824 57.7564 27.4265 177.3175 20 Y 5.1099 7.5445 115.2640 55.7484 39.1895 175.5504 21 N 4.3699 8.8801 122.3038 55.7664 38.5971 175.8562 22 K 4.6956 8.0359 113.6687 55.5998 34.7511 175.8959 23 V 4.8592 7.9499 119.4123 61.3329 34.7371 174.2833 24 C 5.1973 9.0377 123.9086 57.9901 32.4380 172.7324 25 R 4.9190 9.3544 123.4726 55.1992 31.3290 175.0924 26 I 5.0466 9.2813 128.0588 59.7797 40.7407 174.6263 27 E 5.6509 8.9860 122.9666 54.4080 33.8188 174.3975 28 A 5.3407 8.8391 124.0736 49.7401 23.4454 174.4410 29 A 4.9641 8.5654 120.4242 50.3397 22.0686 176.2530 30 S 4.1954 8.2329 114.9715 57.4632 63.1435 174.9343 31 T 4.5102 7.7132 125.0279 62.6624 69.7096 174.3690 32 T 4.2829 7.5146 124.8185 63.6499 76.4400 177.3759 33 Q 4.0697 9.1011 129.0345 57.1780 29.6202 175.9818 34 D 5.1238 8.5723 122.5024 55.1026 41.4745 177.1922 35 Q 4.4986 7.6786 119.7945 57.1271 31.6254 175.6198 36 C 5.1260 8.2096 119.1550 59.4755 31.3419 173.0613 37 K 4.8525 8.4904 125.5067 55.1609 34.8708 175.1591 38 L 4.7987 8.1051 120.8714 54.3504 46.1016 174.3436 39 T 5.0695 8.7502 121.7463 61.7740 72.5186 172.7268 40 L 5.0455 9.3265 127.9239 53.8341 46.0956 174.0554 41 D 5.2792 8.8304 126.3164 53.7658 42.1232 176.0626 42 I 4.7218 9.0506 123.2248 59.5561 41.7669 174.6551 43 N 5.1771 9.4673 125.2725 52.7909 38.2103 175.0112 44 V 4.4013 8.1344 121.3866 62.7064 31.2202 175.6846 45 E 4.4336 8.6046 121.5176 56.7243 30.8364 176.6041 46 L 4.5118 7.5691 115.8575 53.6686 41.9049 176.5328 47 F 5.1311 7.3387 118.7029 57.2284 40.4935 171.0474 48 P 4.3467 0.0000 0.0000 62.1501 31.9532 176.8574 49 V 3.9227 7.7980 120.1801 61.8685 33.5474 173.4223 50 A 4.6305 7.6674 129.6234 49.7484 20.8003 176.1540 51 A 3.9270 8.3283 123.6500 54.2651 19.1339 176.5121 52 Q 3.6471 9.4242 119.2365 55.9787 25.6226 172.6401 53 D 4.9188 7.5416 118.3831 52.6112 46.4735 175.7328 54 S 5.1015 8.8056 116.8504 57.4891 63.4460 172.7324 55 L 5.0074 8.7387 126.2532 53.4458 44.5261 175.9185 56 T 4.9798 8.5776 120.0611 62.5167 69.7472 174.2714 57 V 4.8195 9.0114 127.3758 61.9065 33.9615 175.0226 58 T 5.6219 7.9069 119.6851 63.3925 72.7420 172.9263 59 I 4.6512 8.6325 126.6283 60.0910 41.7130 177.6322 60 A 4.1825 9.3342 132.9955 53.2433 18.3519 178.9843 61 S 5.0436 8.0858 116.0888 55.5974 62.1589 172.6370 62 S 4.5491 6.7828 112.8326 59.8051 66.2489 176.6097 63 L 4.5009 7.2019 118.8128 54.7885 42.6687 176.6929 64 N 4.5202 7.6817 113.4494 54.7612 41.0035 175.6922 *76 T 4.2373 7.3838 105.9638 61.3786 70.4427 172.5501 77 R 4.3132 8.0836 116.6022 56.7956 34.8592 172.5300 78 S 4.1672 8.6643 111.2170 58.7013 62.6726 175.0720 79 W 4.3752 8.8665 135.0000 57.3466 31.2791 175.0894 80 R 4.4406 6.9528 122.0898 53.2852 33.0731 176.3851 81 P 3.9646 0.0000 0.0000 61.2413 32.4753 173.6339 82 P 4.0521 0.0000 0.0000 63.1272 30.6411 178.5804 83 Q 3.7413 9.2141 122.3462 56.9754 30.0778 173.8563 84 A 4.2145 9.0979 117.8447 52.5007 18.0070 178.1983 85 G 4.0397 7.5793 108.8161 49.1062 0.0000 173.8283 86 D 4.5889 7.6518 118.2553 52.0146 41.5399 173.7435 87 R 4.5932 7.7974 122.4861 54.1530 34.5517 174.7776 88 S 4.3407 8.3598 115.4059 59.2469 63.4782 175.1263 89 L 4.3979 7.6632 115.6344 55.3868 40.8750 174.8859 90 A 4.1867 8.5974 125.7175 54.0659 18.3006 179.2499 91 D 4.5197 8.6067 114.7585 55.1234 38.7150 178.5450 92 D 4.6368 8.1601 117.4540 55.2066 39.9170 175.3936 93 Y 4.8054 8.9305 118.7995 56.8709 41.4264 175.4981 94 D 4.8118 8.3344 120.6873 53.8797 41.8957 175.4024 95 Y 4.4766 7.1003 117.0071 57.1875 41.8849 172.2230 96 V 5.4185 8.4949 126.8517 60.5605 34.3544 174.5202 97 M 4.7005 8.4585 126.8053 53.8945 35.6098 173.7964 98 Y 5.1451 8.0446 119.5475 56.9174 41.8418 174.4969 99 G 4.3825 7.8836 111.7313 46.4792 0.0000 172.1122 100 T 5.4642 9.1320 115.4726 60.5751 73.0614 173.0539 101 A 4.2961 7.9097 123.5911 51.1330 19.2404 176.4627 102 Y 4.5841 8.5290 121.3071 57.6777 40.1627 176.3782 103 K 4.6359 7.2648 119.6059 54.3074 35.9758 175.1877 104 F 4.9961 8.8020 124.9763 55.4616 38.5781 174.3890 105 E 4.1294 9.0938 123.6818 56.2210 31.3227 175.2554 106 E 4.8662 8.5280 125.0818 53.5005 29.4097 178.1125 107 V 3.7509 8.1208 131.9536 62.8860 30.8294 176.6249 108 S 3.4336 8.8704 113.5023 58.9277 65.3150 174.7889 109 K 3.9400 9.2086 124.3968 57.4367 30.6836 176.5255 110 D 4.6127 9.1355 109.5946 52.9669 40.1733 175.1384 111 L 4.9220 8.2519 121.5123 53.5922 43.0482 175.4242 112 I 4.7353 8.1544 124.3083 59.2692 40.7929 173.9918 113 A 5.5182 8.5981 128.0882 49.1653 22.5349 175.3718 114 V 4.2222 7.7828 113.8167 59.4230 35.3840 174.0760 115 Y 4.8461 8.4890 121.5848 56.3101 40.6054 174.4218 116 Y 5.0425 8.9414 121.0608 56.1023 42.2276 174.3647 117 S 4.7364 9.3613 117.8588 56.5591 65.4608 173.0675 118 F 5.0871 9.3350 128.0320 56.0484 38.1104 175.6040 119 G 3.9238 9.2379 115.8493 46.7403 0.0000 170.8952 120 G 4.0553 7.7004 111.2510 45.7984 0.0000 174.9143 121 L 4.1735 8.0951 122.5894 54.3871 42.8379 176.9196 122 L 5.0683 8.8046 124.8643 54.1810 44.6042 175.0093 123 M 4.9415 8.1480 115.4385 55.1836 36.3311 173.4709 124 R 4.7202 8.8050 125.4298 54.3545 33.7761 173.6552 125 L 5.1561 7.9491 126.0468 52.5215 46.3027 174.4046 126 E 5.7890 7.9250 119.7098 54.9088 34.7498 175.2744 127 G 4.0062 9.4982 112.4696 43.8471 0.0000 173.3172 128 N 3.8618 6.7457 121.3896 52.6160 38.2341 172.5493 129 Y 4.9328 6.1339 114.5261 56.5073 41.5172 176.0165 130 R 4.5700 7.5175 120.5742 56.4764 30.6547 178.2883 131 N 4.4533 8.3350 117.1230 55.7773 38.9312 176.4256 132 L 4.8166 7.9368 115.2049 54.3423 42.0637 175.8406 133 N 4.9461 7.2229 112.9162 54.7066 41.9174 175.5383 134 N 4.8617 7.9495 119.9731 53.4692 36.4376 174.9909 135 L 4.2509 7.9483 121.2699 54.8800 42.7053 178.3886 136 K 3.8368 8.3364 119.3644 56.7872 32.3397 177.6250 137 Q 4.1837 7.4477 118.2034 55.9160 29.2893 177.3703 138 E 3.8786 8.8733 119.8853 59.2542 29.9322 176.9570 139 N 4.5302 8.0388 114.2127 53.3058 39.1209 172.1779 140 A 3.9706 8.4737 120.2458 51.8473 18.6712 174.9149 141 Y 4.8297 8.9448 120.9835 57.4133 40.0521 174.7282 142 L 4.5578 8.3966 126.1237 53.7109 44.2832 175.1401 143 L 5.1378 7.9332 123.1006 53.2201 46.4874 175.4498 144 I 5.6994 8.4994 121.2367 59.9833 41.9996 174.2751 145 R 4.9848 8.9215 122.4383 55.2615 33.2714 175.6138 146 R 4.2470 8.7013 119.7035 56.7488 31.7100 175.6995 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.33 4.49 0.00 4.00 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 3 N 7.73 4.83 0.00 2.84 2.72 0.00 0.00 7.02 6.17 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 4 T 9.08 4.43 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 1.34 0.00 0.00 5 L 8.02 5.02 0.00 1.71 1.77 1.11 0.95 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 6 F 7.87 4.74 0.00 3.18 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 7 D 6.99 5.34 0.00 2.67 2.35 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 8 D 7.81 4.49 0.00 2.37 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.94 5.19 1.84 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 1.29 0.89 1.02 0.00 0.00 10 F 9.43 5.26 0.00 2.97 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.86 5.52 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 12 V 8.79 3.79 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 0.92 0.00 0.00 0.99 0.00 0.00 13 S 9.27 4.16 0.00 3.87 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 14 E 7.88 4.76 0.00 2.05 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 2.27 2.28 0.00 15 V 8.38 4.77 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 0.86 0.00 0.00 0.97 0.00 0.00 16 D 9.21 4.82 0.00 2.78 2.46 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 17 P 0.00 4.95 0.00 2.14 2.08 0.00 3.83 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 1.90 1.95 0.00 18 G 8.17 3.68 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 0.00 0.00 0.00 19 R 8.21 3.82 0.00 1.66 1.93 0.00 3.27 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 20 Y 7.54 5.11 0.00 3.01 2.82 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 21 N 8.88 4.37 0.00 2.72 2.95 0.00 0.00 6.97 7.61 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 22 K 8.04 4.70 0.00 1.62 1.75 0.00 1.59 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.39 7.81 23 V 7.95 4.86 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 0.83 0.00 0.00 0.89 0.00 0.00 24 C 9.04 5.20 0.00 2.91 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 25 R 9.35 4.92 0.00 2.07 1.84 0.00 3.09 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 26 I 9.28 5.05 1.98 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 1.22 0.82 0.89 0.00 0.00 27 E 8.99 5.65 0.00 1.86 1.79 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 2.33 2.09 0.00 28 A 8.84 5.34 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 29 A 8.57 4.96 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 30 S 8.23 4.20 0.00 3.43 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 31 T 7.71 4.51 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 32 T 7.51 4.28 4.06 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 1.05 0.00 0.00 33 Q 9.10 4.07 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.13 0.00 0.00 0.00 0.00 0.00 2.58 2.37 0.00 34 D 8.57 5.12 0.00 2.67 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 35 Q 7.68 4.50 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.12 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 36 C 8.21 5.13 0.00 3.27 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 37 K 8.49 4.85 0.00 1.75 1.72 0.00 2.03 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.63 7.81 38 L 8.11 4.80 0.00 1.44 1.36 0.73 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.75 5.07 4.20 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 1.24 0.00 0.00 40 L 9.33 5.05 0.00 1.60 1.37 1.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.83 5.28 0.00 2.72 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 42 I 9.05 4.72 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.81 1.14 0.00 0.00 43 N 9.47 5.18 0.00 2.88 2.80 0.00 0.00 6.76 7.09 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 44 V 8.13 4.40 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 1.08 0.00 0.00 1.01 0.00 0.00 45 E 8.60 4.43 0.00 1.97 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 2.23 2.25 0.00 46 L 7.57 4.51 0.00 1.53 1.61 0.84 0.75 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 47 F 7.34 5.13 0.00 3.21 3.36 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 48 P 0.00 4.35 0.00 1.96 1.89 0.00 3.71 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 2.01 2.18 0.00 49 V 7.80 3.92 1.92 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 0.68 0.00 0.00 0.40 0.00 0.00 50 A 7.67 4.63 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 51 A 8.33 3.93 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 52 Q 9.42 3.65 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 53 D 7.54 4.92 0.00 2.57 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 54 S 8.81 5.10 0.00 3.91 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 55 L 8.74 5.01 0.00 1.76 1.71 1.02 0.95 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 56 T 8.58 4.98 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 1.37 0.00 0.00 57 V 9.01 4.82 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 1.26 0.00 0.00 0.76 0.00 0.00 58 T 7.91 5.62 4.08 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 0.00 0.00 0.00 1.38 0.00 0.00 59 I 8.63 4.65 2.00 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 1.13 1.32 0.95 0.00 0.00 60 A 9.33 4.18 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.09 5.04 0.00 4.30 4.09 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 62 S 6.78 4.55 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 63 L 7.20 4.50 0.00 1.45 1.38 0.56 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 N 7.68 4.52 0.00 2.60 2.72 0.00 0.00 6.82 8.89 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 *76 T 7.38 4.24 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 1.34 0.00 0.00 77 R 8.08 4.31 0.00 1.91 1.96 0.00 3.28 0.00 0.00 3.18 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.39 0.00 78 S 8.66 4.17 0.00 3.92 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 79 W 8.87 4.38 0.00 3.27 3.12 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 80 R 6.95 4.44 0.00 1.39 1.44 0.00 3.14 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.46 0.00 81 P 0.00 3.96 0.00 1.91 1.96 0.00 3.46 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 82 P 0.00 4.05 0.00 2.17 2.02 0.00 3.77 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 1.94 0.00 83 Q 9.21 3.74 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.14 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 84 A 9.10 4.21 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 85 G 7.58 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 0.00 0.00 0.00 86 D 7.65 4.59 0.00 2.56 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.80 4.59 0.00 1.82 1.73 0.00 3.18 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 88 S 8.36 4.34 0.00 3.80 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 89 L 7.66 4.40 0.00 2.01 1.72 1.03 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.60 4.19 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 91 D 8.61 4.52 0.00 2.83 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 92 D 8.16 4.64 0.00 2.60 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.93 4.81 0.00 2.69 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 94 D 8.33 4.81 0.00 2.33 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 7.10 4.48 0.00 2.50 2.31 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 96 V 8.49 5.42 2.11 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 0.92 0.00 0.00 0.91 0.00 0.00 97 M 8.46 4.70 0.00 1.42 1.24 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.17 2.59 0.00 98 Y 8.04 5.15 0.00 2.49 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 G 7.88 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 0.00 0.00 0.00 0.00 100 T 9.13 5.46 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 1.20 0.00 0.00 101 A 7.91 4.30 0.73 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 0.00 0.00 102 Y 8.53 4.58 0.00 2.89 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 0.00 103 K 7.26 4.64 0.00 1.66 1.42 0.00 1.53 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.44 7.81 104 F 8.80 5.00 0.00 2.79 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 0.00 105 E 9.09 4.13 0.00 2.37 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 2.36 2.36 0.00 106 E 8.53 4.87 0.00 1.88 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 2.23 2.30 0.00 107 V 8.12 3.75 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 0.77 0.00 0.00 0.91 0.00 0.00 108 S 8.87 3.43 0.00 4.15 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 0.00 109 K 9.21 3.94 0.00 1.91 1.36 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.42 7.81 110 D 9.14 4.61 0.00 2.79 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 0.00 111 L 8.25 4.92 0.00 1.91 1.63 0.93 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.15 4.74 1.83 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 1.24 1.25 0.78 0.00 0.00 113 A 8.60 5.52 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 0.00 114 V 7.78 4.22 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 -0.82 0.00 0.00 0.64 0.00 0.00 115 Y 8.49 4.85 0.00 1.83 1.62 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 0.00 116 Y 8.94 5.04 0.00 2.64 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 0.00 0.00 0.00 117 S 9.36 4.74 0.00 3.62 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 9.34 5.09 0.00 3.00 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 0.00 119 G 9.24 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 0.00 120 G 7.70 4.06 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 0.00 121 L 8.10 4.17 0.00 1.86 1.80 1.05 0.60 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 0.00 122 L 8.80 5.07 0.00 1.80 1.73 1.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.15 4.94 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 124 R 8.81 4.72 0.00 1.61 1.51 0.00 2.95 0.00 0.00 2.92 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 125 L 7.95 5.16 0.00 1.53 1.15 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.92 5.79 0.00 2.00 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 2.18 2.04 0.00 127 G 9.50 4.01 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 0.00 0.00 0.00 128 N 6.75 3.86 0.00 2.79 2.95 0.00 0.00 6.61 7.54 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 0.00 129 Y 6.13 4.93 0.00 3.11 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 0.00 130 R 7.52 4.57 0.00 1.95 2.19 0.00 3.53 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 131 N 8.34 4.45 0.00 2.76 2.93 0.00 0.00 6.97 7.85 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 0.00 132 L 7.94 4.82 0.00 1.64 1.66 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.22 4.95 0.00 2.73 3.02 0.00 0.00 6.88 7.28 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 0.00 134 N 7.95 4.86 0.00 2.77 2.88 0.00 0.00 6.89 7.85 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 0.00 135 L 7.95 4.25 0.00 1.83 1.68 0.99 0.96 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 0.00 136 K 8.34 3.84 0.00 1.38 1.28 0.00 1.39 0.00 0.00 1.48 0.00 0.00 2.87 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.47 0.21 7.81 137 Q 7.45 4.18 0.00 2.28 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 138 E 8.87 3.88 0.00 1.99 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 2.29 2.24 0.00 139 N 8.04 4.53 0.00 2.90 3.01 0.00 0.00 6.90 7.35 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 0.00 140 A 8.47 3.97 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 0.00 0.00 141 Y 8.94 4.83 0.00 2.95 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 0.00 142 L 8.40 4.56 0.00 1.39 0.97 0.80 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.93 5.14 0.00 0.47 0.13 0.78 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.50 5.70 1.62 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.76 0.91 0.00 0.00 145 R 8.92 4.98 0.00 1.74 1.87 0.00 2.74 0.00 0.00 2.56 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 146 R 8.70 4.25 0.00 2.00 2.40 0.00 3.33 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.