NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9402 8.2127 108.0388 46.3459 0.0000 171.4483 5 V 4.4821 8.0204 118.8423 60.9852 34.0534 173.8407 6 Y 5.1912 9.2305 124.3270 56.3672 41.9021 173.4520 7 Y 5.0192 9.1697 124.6497 56.2779 42.3078 174.7993 8 N 3.7208 8.6914 123.5452 54.6867 37.3094 174.4478 9 E 3.8856 8.2235 113.0093 56.7030 28.3041 174.6753 10 I 4.5479 7.6245 121.0418 58.9655 39.1766 175.2192 11 S 3.7995 8.5406 119.8334 58.1894 62.8133 173.3649 12 R 4.5908 8.0813 125.2140 54.3526 33.5437 175.7815 13 D 4.5380 8.2392 120.8023 53.1108 39.5985 175.0599 14 L 4.6828 7.4092 121.2081 52.1804 46.0240 175.7621 15 D 4.7019 8.1642 120.4525 52.2638 42.2660 176.3449 16 I 3.5859 8.4978 128.8875 64.5478 37.2470 177.9793 17 S 4.1314 8.0022 113.4720 60.5010 63.1388 174.6197 18 S 4.5115 8.2093 116.8293 56.8882 62.5498 174.5222 19 S 4.6000 8.5121 127.1805 61.3260 62.5706 175.9314 20 T 3.8629 8.0571 119.3021 66.6580 68.1813 175.9442 21 Q 3.9750 7.9103 120.4693 59.4638 29.1389 177.9025 22 C 4.0688 8.1173 117.7981 62.5550 28.0985 176.0801 23 L 4.3078 8.6324 121.1798 57.6762 41.1816 179.4726 24 R 3.9107 7.8293 118.1383 59.4111 30.0683 178.2706 25 F 4.0807 8.0850 120.0210 61.1832 39.2416 176.9316 26 L 3.6949 8.0974 118.5301 57.6654 41.2723 179.4959 27 K 3.3114 7.5833 117.7534 59.3930 32.2319 178.3376 28 E 4.0054 8.1651 117.3480 57.9084 29.7028 176.8673 29 T 4.1403 7.2789 112.9768 64.8812 70.8028 176.5433 30 V 3.2632 7.0384 118.3292 65.9760 31.8929 177.6281 31 I 3.8369 7.6602 119.7915 64.0437 36.5477 176.7381 32 P 4.5371 0.0000 0.0000 64.8570 30.9808 178.0716 33 S 4.3589 7.6268 109.7456 60.0190 62.2856 174.3507 34 L 4.7223 7.9053 118.1190 55.1417 43.8030 176.6445 35 A 4.4411 7.8453 120.1248 50.3629 21.5927 174.3259 36 N 4.9319 8.6886 121.0348 51.9049 39.5018 174.6374 37 N 4.7050 8.6689 121.6024 54.1421 39.8207 176.1886 38 G 3.6829 8.0479 106.6492 49.0065 0.0000 174.3460 39 N 4.5952 8.0068 114.5494 52.7542 37.9037 173.4258 40 N 5.0743 7.5774 115.5296 51.5225 40.8865 173.5578 41 S 4.6817 8.3596 109.9518 58.6615 63.5611 173.3471 42 T 4.6230 7.4039 110.5937 61.1769 71.0007 174.3424 43 S 4.5379 8.4767 118.0879 56.6340 64.2331 172.2618 44 I 4.4310 8.1651 127.8387 60.5360 38.0201 175.2835 45 Q 4.6439 9.0413 126.8316 54.3792 30.8718 174.4093 46 Y 4.9648 8.7343 121.8765 57.6687 39.9691 175.6685 47 H 4.6451 9.6663 123.4205 54.9434 31.7159 172.0599 48 G 3.0290 8.0515 110.9359 45.1010 0.0000 170.3154 49 I 4.9754 7.8199 123.1867 59.1674 40.3974 175.3373 50 S 4.7544 8.9168 120.8911 55.7023 65.4011 175.2769 51 K 4.0136 8.7912 119.9214 59.4324 32.1738 177.3291 52 N 4.6836 7.6633 115.3940 53.3458 39.0191 175.0106 53 D 4.4760 7.7646 119.7982 53.7562 41.7696 176.2010 54 N 4.5212 8.6074 122.0297 53.2379 40.4467 175.8497 55 I 3.6888 8.3113 128.8934 64.3254 37.4333 178.1693 56 K 3.8783 8.0670 119.8942 59.8243 32.1115 178.7792 57 K 4.0564 8.7239 118.7857 59.4862 31.8935 179.6068 58 S 4.2475 8.0885 115.4276 61.2615 62.8230 176.8271 59 V 3.6240 8.1439 121.3681 65.8953 31.4033 177.5710 60 N 4.3408 8.1678 116.3887 56.4741 38.4358 177.1705 61 K 3.9668 7.9764 120.4485 59.6120 32.3096 178.8286 62 L 3.8121 7.7903 119.1991 57.7022 41.1019 179.2379 63 D 4.8007 8.1336 118.2428 57.3206 40.9118 178.7486 64 K 4.1941 8.0538 118.5615 59.6855 31.9292 179.5040 65 Q 4.0446 8.2854 117.4398 58.9366 28.6717 178.4493 66 I 4.0911 7.9766 118.5543 62.1422 39.3232 175.7516 67 N 4.7608 7.6194 117.1565 50.9892 37.9295 173.4277 *69 A 4.1144 7.6550 122.6948 51.2112 19.9462 176.3764 70 D 4.4761 8.3315 119.7202 54.1545 41.7463 177.6911 71 R 4.1568 8.5546 122.8402 58.4926 30.1134 177.7700 72 S 4.3397 8.3056 114.5318 60.6594 63.0905 174.9678 73 L 4.2151 7.9716 117.4099 54.1637 42.1243 176.1755 74 G 3.8362 7.8295 106.1400 46.5776 0.0000 173.7032 75 L 4.7791 7.2821 118.1531 52.7222 44.1586 177.8557 76 Q 4.2950 8.1995 121.6004 55.6405 30.0767 175.0324 77 Q 4.3919 8.7754 123.6399 55.4398 30.2078 174.9791 78 V 4.6914 8.5372 124.7024 60.9740 34.4047 174.1556 79 V 4.6390 8.8059 128.5862 61.3096 33.4941 174.5292 80 C 4.7681 9.3774 129.4987 58.1200 32.7579 171.9891 81 I 5.0627 8.8328 129.1066 60.0506 38.5179 175.2447 82 F 5.5765 8.5002 121.2257 55.7869 41.7786 173.4902 83 S 5.1910 9.1128 114.6012 58.2785 66.6577 172.4073 84 Y 5.3336 8.2948 118.3524 55.2047 41.7472 177.0084 85 G 3.8820 9.5435 111.4415 46.1521 0.0000 175.1626 86 P 4.3333 0.0000 0.0000 64.3469 30.8563 176.7561 87 H 4.6103 7.6805 116.0543 56.5655 28.9289 176.9061 88 I 3.5828 7.4085 121.3538 64.1492 37.2742 177.7215 89 Q 4.2071 8.0927 118.5891 58.7194 28.7024 181.0065 90 K 4.3334 7.4521 120.4822 56.3002 31.7920 178.7673 *92 L 4.3019 8.1358 118.3847 54.6407 43.7899 179.5199 93 S 4.0919 7.9910 114.0580 61.6942 62.7742 176.5605 94 I 3.7063 7.7589 122.2736 64.4466 36.9556 178.0601 95 L 4.0052 7.9165 120.1974 58.4706 41.9798 178.7673 96 E 4.0206 8.6699 118.7781 59.4710 29.3994 179.4793 97 I 3.7446 8.0513 120.0074 64.1623 36.9205 178.1092 98 F 4.2434 8.1530 120.5513 61.4976 39.5434 177.0687 99 K 3.8671 8.1205 117.9020 59.0782 31.6934 179.1708 100 K 3.9936 8.1210 120.1803 59.4191 31.9490 178.3168 101 G 3.7437 7.9071 102.2282 45.5549 0.0000 173.6305 102 Y 4.1016 7.1773 121.8214 58.9883 39.9833 177.2762 103 I 4.2003 8.0578 114.6736 62.1928 37.6945 178.0574 104 K 4.0048 7.8751 119.2710 59.6293 32.7060 177.3540 105 N 4.4838 7.5167 114.6508 52.9008 38.2178 174.3323 106 N 4.1883 7.7134 115.3426 54.5476 37.7567 174.1274 107 K 4.5121 7.6639 114.9657 54.3936 34.1272 175.4373 108 K 4.5254 8.4089 118.7268 54.7248 34.6012 175.9528 109 I 4.3000 7.7993 124.0432 59.7967 39.3737 174.6395 110 Y 4.7215 8.7140 122.7628 56.1141 41.4753 174.6894 111 Q 5.0975 8.0586 119.9148 54.2228 33.0758 173.8377 112 W 5.5602 9.0098 119.1351 55.2358 33.2260 173.7755 113 N 5.6525 9.3681 121.8280 51.3347 41.4606 173.5119 114 K 4.3835 8.8767 123.8472 54.2173 35.5212 174.2365 115 L 5.1020 8.3706 128.6403 53.8826 44.1941 175.0322 116 T 4.7953 8.5969 120.0274 61.6592 71.2331 171.8293 117 S 5.0690 8.4973 113.8484 57.6625 66.0435 173.4874 118 F 5.1753 9.4813 119.7450 56.4829 41.4353 175.0278 119 D 5.4585 9.5741 122.7097 52.9290 42.8441 174.9587 120 I 4.9483 8.4624 125.0424 59.6547 39.8186 174.6730 121 K 4.9713 8.3242 127.4072 54.5479 36.1582 175.3096 *129 Q 3.9659 8.4428 121.0702 55.9510 29.7606 173.7699 130 E 4.3631 8.4844 124.2341 54.8522 30.3959 175.8343 131 E 4.2551 8.5365 126.0198 56.5864 30.3180 177.2021 132 R 4.5548 8.0101 121.8884 55.1538 31.1259 172.8159 133 L 4.6460 8.8045 124.0262 52.7851 44.2209 175.5117 134 K 4.6084 8.6337 122.7553 55.4668 33.2383 176.5406 135 V 4.3871 8.9826 127.8789 60.5070 32.4891 173.6103 136 P 4.9947 0.0000 0.0000 63.0702 33.1175 175.3154 137 I 5.0861 9.1589 121.3722 59.6896 41.2018 173.9033 138 L 5.1189 9.1663 129.8412 53.2353 44.4280 174.9902 139 V 4.8234 8.7606 126.3903 61.8549 34.1377 174.3028 140 T 5.7239 9.0856 126.1672 61.0747 72.5164 173.1184 *142 V 4.5885 8.1222 113.4243 62.4448 33.3201 174.8994 143 S 5.2683 9.2836 117.3264 57.7245 66.0266 174.0204 144 D 5.0177 8.9722 122.2130 53.9703 40.2918 176.3300 145 S 4.7137 8.2342 116.8932 57.2733 64.1269 173.9865 146 E 2.8550 8.7154 126.1506 58.0200 29.6149 176.6709 147 I 4.3884 7.5054 119.2746 59.5661 38.2612 174.7065 148 I 4.2708 7.7909 126.1715 59.6180 38.6636 176.2361 149 D 4.3663 8.3483 122.9136 55.1680 41.1030 176.8837 150 L 4.0097 6.7435 119.8583 54.5591 42.2150 177.4572 151 N 4.5446 8.2299 121.8163 52.1942 37.4631 174.7713 152 L 4.7027 7.1826 125.8915 54.1874 40.5931 178.2820 153 H 4.4003 8.0898 115.3967 59.2877 29.4071 177.6402 154 S 4.1970 7.7586 114.2457 60.2375 62.9027 173.9272 155 F 4.6458 7.8852 118.2406 57.3017 40.5517 174.6097 156 T 4.6842 8.9829 115.8159 61.7149 71.1674 174.0126 157 K 4.2177 8.8079 128.6548 56.2501 33.1521 176.3509 158 Q 4.0627 8.2584 127.7104 56.4821 28.9211 173.9700 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 4 G 8.21 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 0.00 0.00 0.00 5 V 8.02 4.48 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 0.80 0.00 0.00 0.82 0.00 0.00 6 Y 9.23 5.19 0.00 3.06 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 9.17 5.02 0.00 3.26 3.06 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 8 N 8.69 3.72 0.00 1.87 2.57 0.00 0.00 7.15 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 9 E 8.22 3.89 0.00 2.17 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 0.00 2.18 2.27 0.00 10 I 7.62 4.55 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.83 0.96 0.00 0.00 11 S 8.54 3.80 0.00 3.21 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 12 R 8.08 4.59 0.00 1.40 1.42 0.00 3.65 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 13 D 8.24 4.54 0.00 2.57 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 14 L 7.41 4.68 0.00 1.21 1.08 -0.22 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.16 4.70 0.00 2.65 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 16 I 8.50 3.59 1.85 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.88 1.01 0.00 0.00 17 S 8.00 4.13 0.00 3.98 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 18 S 8.21 4.51 0.00 3.89 3.90 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 19 S 8.51 4.60 0.00 4.05 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 20 T 8.06 3.86 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 21 Q 7.91 3.97 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 22 C 8.12 4.07 0.00 2.78 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 0.00 0.00 0.00 0.00 23 L 8.63 4.31 0.00 1.80 1.91 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.83 3.91 0.00 2.05 2.12 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 25 F 8.08 4.08 0.00 3.06 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 26 L 8.10 3.69 0.00 2.07 1.57 1.31 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.58 3.31 0.00 1.66 1.80 0.00 1.78 0.00 0.00 1.55 0.00 0.00 2.63 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.81 0.51 7.81 28 E 8.17 4.01 0.00 1.84 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 2.19 2.31 0.00 29 T 7.28 4.14 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 0.99 0.00 0.00 30 V 7.04 3.26 1.83 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 0.70 0.00 0.00 -0.09 0.00 0.00 31 I 7.66 3.84 1.86 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 1.35 0.33 1.00 0.00 0.00 32 P 0.00 4.54 0.00 2.08 2.05 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.90 0.00 33 S 7.63 4.36 0.00 3.96 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 34 L 7.91 4.72 0.00 1.92 1.93 1.05 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.85 4.44 1.10 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 0.00 0.00 36 N 8.69 4.93 0.00 2.66 2.74 0.00 0.00 7.04 8.00 0.00 0.00 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 N 8.67 4.70 0.00 2.64 2.81 0.00 0.00 7.21 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 38 G 8.05 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 39 N 8.01 4.60 0.00 2.79 2.91 0.00 0.00 5.77 8.04 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 40 N 7.58 5.07 0.00 2.70 2.76 0.00 0.00 6.06 7.64 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 41 S 8.36 4.68 0.00 3.99 4.07 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 0.00 0.00 0.00 42 T 7.40 4.62 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 43 S 8.48 4.54 0.00 3.91 3.75 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 44 I 8.17 4.43 1.70 0.00 0.00 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 1.16 0.55 0.13 0.00 0.00 45 Q 9.04 4.64 0.00 1.86 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.63 0.00 46 Y 8.73 4.96 0.00 2.96 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 H 9.67 4.65 0.00 3.27 3.08 0.00 5.58 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.05 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 0.00 0.00 0.00 49 I 7.82 4.98 1.80 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 1.26 0.64 0.94 0.00 0.00 50 S 8.92 4.75 0.00 3.95 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 51 K 8.79 4.01 0.00 1.85 2.07 0.00 1.44 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.47 7.81 52 N 7.66 4.68 0.00 2.68 2.89 0.00 0.00 7.01 8.80 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 53 D 7.76 4.48 0.00 2.76 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 54 N 8.61 4.52 0.00 2.76 2.69 0.00 0.00 7.22 7.73 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 55 I 8.31 3.69 1.89 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 1.54 0.52 0.94 0.00 0.00 56 K 8.07 3.88 0.00 1.83 2.01 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.56 7.81 57 K 8.72 4.06 0.00 1.83 1.86 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.66 7.81 58 S 8.09 4.25 0.00 4.07 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 59 V 8.14 3.62 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 1.07 0.00 0.00 60 N 8.17 4.34 0.00 3.03 2.90 0.00 0.00 6.67 7.05 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 61 K 7.98 3.97 0.00 2.06 1.98 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.57 7.81 62 L 7.79 3.81 0.00 1.26 0.38 0.34 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.13 4.80 0.00 3.00 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 64 K 8.05 4.19 0.00 2.05 1.88 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.65 7.81 65 Q 8.29 4.04 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.02 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 66 I 7.98 4.09 2.21 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 1.79 0.82 1.39 0.00 0.00 67 N 7.62 4.76 0.00 2.74 2.77 0.00 0.00 6.91 8.38 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 *69 A 7.66 4.11 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 70 D 8.33 4.48 0.00 2.70 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 71 R 8.55 4.16 0.00 1.98 2.07 0.00 3.09 0.00 0.00 3.24 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 72 S 8.31 4.34 0.00 3.99 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 73 L 7.97 4.22 0.00 1.63 1.70 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.83 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 75 L 7.28 4.78 0.00 1.69 1.59 0.92 0.89 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 76 Q 8.20 4.29 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.00 0.00 0.00 0.00 0.00 0.00 2.48 2.28 0.00 77 Q 8.78 4.39 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 78 V 8.54 4.69 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.88 0.00 0.00 79 V 8.81 4.64 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 0.77 0.00 0.00 0.90 0.00 0.00 80 C 9.38 4.77 0.00 2.77 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 81 I 8.83 5.06 1.93 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.60 0.91 0.00 0.00 82 F 8.50 5.58 0.00 3.25 3.15 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 0.00 0.00 0.00 0.00 83 S 9.11 5.19 0.00 3.89 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 84 Y 8.29 5.33 0.00 3.51 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 9.54 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 0.00 0.00 0.00 86 P 0.00 4.33 0.00 1.94 2.06 0.00 3.53 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.81 0.00 87 H 7.68 4.61 0.00 3.17 3.37 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.41 3.58 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.42 0.94 0.00 0.00 89 Q 8.09 4.21 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.24 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 90 K 7.45 4.33 0.00 1.79 1.76 0.00 1.79 0.00 0.00 1.89 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.41 7.81 *92 L 8.14 4.30 0.00 1.96 1.75 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 93 S 7.99 4.09 0.00 4.07 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 94 I 7.76 3.71 1.87 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 1.42 1.00 0.88 0.00 0.00 95 L 7.92 4.01 0.00 1.78 1.85 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.67 4.02 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 97 I 8.05 3.74 2.00 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 1.43 0.92 0.96 0.00 0.00 98 F 8.15 4.24 0.00 3.05 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 99 K 8.12 3.87 0.00 1.99 1.77 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.76 7.81 100 K 8.12 3.99 0.00 1.93 2.04 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.45 7.81 101 G 7.91 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.18 4.10 0.00 2.88 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 0.00 103 I 8.06 4.20 1.84 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 1.16 1.31 0.94 0.00 0.00 104 K 7.88 4.00 0.00 1.84 1.95 0.00 1.53 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.39 7.81 105 N 7.52 4.48 0.00 2.69 2.76 0.00 0.00 6.94 7.88 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 0.00 106 N 7.71 4.19 0.00 2.83 2.86 0.00 0.00 7.04 6.66 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 0.00 107 K 7.66 4.51 0.00 1.97 1.81 0.00 1.03 0.00 0.00 1.50 0.00 0.00 2.75 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.39 1.45 7.81 108 K 8.41 4.53 0.00 1.64 1.17 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.39 7.81 109 I 7.80 4.30 1.54 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.02 0.74 0.00 0.00 110 Y 8.71 4.72 0.00 2.84 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 0.00 111 Q 8.06 5.10 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.87 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 112 W 9.01 5.56 0.00 3.33 3.24 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 0.00 113 N 9.37 5.65 0.00 2.66 2.70 0.00 0.00 6.00 7.24 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 0.00 114 K 8.88 4.38 0.00 0.79 0.74 0.00 1.16 0.00 0.00 1.22 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.88 1.09 7.81 115 L 8.37 5.10 0.00 1.61 1.47 0.97 0.87 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 0.00 116 T 8.60 4.80 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 1.24 0.00 0.00 117 S 8.50 5.07 0.00 4.02 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 0.00 118 F 9.48 5.18 0.00 3.08 2.99 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 0.00 119 D 9.57 5.46 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 0.00 120 I 8.46 4.95 1.94 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 1.26 1.33 0.97 0.00 0.00 121 K 8.32 4.97 0.00 1.64 1.63 0.00 1.04 0.00 0.00 1.50 0.00 0.00 2.63 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.42 1.18 7.81 *129 Q 8.44 3.97 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 130 E 8.48 4.36 0.00 1.94 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 2.19 2.27 0.00 131 E 8.54 4.26 0.00 2.00 1.86 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 2.31 2.24 0.00 132 R 8.01 4.55 0.00 1.71 1.75 0.00 3.15 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 133 L 8.80 4.65 0.00 1.75 1.59 1.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.63 4.61 0.00 1.68 1.81 0.00 1.92 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.39 7.81 135 V 8.98 4.39 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 1.07 0.00 0.00 136 P 0.00 4.99 0.00 2.22 2.22 0.00 3.80 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.05 0.00 137 I 9.16 5.09 1.85 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.94 0.98 0.00 0.00 138 L 9.17 5.12 0.00 1.79 1.58 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.76 4.82 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 1.21 0.00 0.00 1.00 0.00 0.00 140 T 9.09 5.72 4.46 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 1.39 0.00 0.00 *142 V 8.12 4.59 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.98 0.00 0.00 143 S 9.28 5.27 0.00 4.01 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 0.00 144 D 8.97 5.02 0.00 2.91 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 0.00 145 S 8.23 4.71 0.00 3.93 3.85 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 0.00 146 E 8.72 2.85 0.00 1.21 1.68 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 1.98 1.47 0.00 147 I 7.51 4.39 1.84 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 1.40 0.69 0.88 0.00 0.00 148 I 7.79 4.27 1.02 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.66 0.53 0.00 0.00 149 D 8.35 4.37 0.00 2.57 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 0.00 150 L 6.74 4.01 0.00 1.06 1.28 0.64 0.86 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 0.00 151 N 8.23 4.54 0.00 2.62 2.69 0.00 0.00 6.83 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 0.00 152 L 7.18 4.70 0.00 0.98 0.85 0.05 -0.29 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 0.00 153 H 8.09 4.40 0.00 3.34 3.49 0.00 5.53 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 S 7.76 4.20 0.00 3.93 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 0.00 155 F 7.89 4.65 0.00 3.25 3.30 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 0.00 156 T 8.98 4.68 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 1.23 0.00 0.00 157 K 8.81 4.22 0.00 1.76 1.68 0.00 0.74 0.00 0.00 1.19 0.00 0.00 2.63 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.32 7.81 158 Q 8.26 4.06 0.00 1.99 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.32 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.