NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4457 8.1927 115.4112 57.6701 64.7044 174.2464 10 L 3.7253 8.3367 121.7792 57.6933 41.6675 176.8791 11 D 4.4496 9.0549 119.8594 57.9295 41.2501 178.3568 12 D 4.3272 7.7642 119.0250 57.1713 40.5465 178.8358 13 I 3.6105 7.3633 119.4312 64.4204 37.2048 178.3146 14 I 3.5695 7.1576 118.8494 64.4905 37.1745 177.9557 15 N 4.4799 8.2906 117.5843 56.1325 38.1562 177.0192 16 N 4.6445 7.9907 116.2883 54.2223 38.9651 176.5687 *18 I 4.0270 7.7404 121.3752 60.9198 39.1708 177.7740 19 D 4.3465 8.1605 119.2209 57.2242 40.7895 178.7580 20 K 4.1995 7.9249 118.8856 59.2682 32.1392 179.3775 21 L 4.1834 7.9498 118.8480 57.8435 41.3899 179.2023 22 K 3.9277 8.0724 117.4500 59.3368 32.1023 178.1281 23 L 4.5317 7.8537 116.2507 54.8373 42.3533 177.0619 24 L 4.6147 7.8328 116.5135 54.5220 44.2862 176.8629 25 V 4.5031 8.0698 117.2160 60.9129 34.3864 174.0939 26 H 4.4125 9.0467 127.5049 56.2907 30.0763 174.0247 27 F 4.7824 7.9918 119.5959 56.5119 39.9310 172.9046 28 D 4.8537 9.0696 120.6712 55.0286 43.3722 177.0227 29 R 5.1445 8.2292 117.3873 55.0343 33.9244 173.9451 30 I 5.4317 9.6019 126.2599 59.6665 41.6679 174.4510 31 S 5.3194 9.1074 119.3822 56.5589 66.8362 172.4308 32 F 5.3487 9.5374 123.6115 56.4572 42.3150 173.7564 33 L 4.7344 7.9940 124.9942 52.5090 45.4081 174.9561 34 L 4.5237 8.3942 124.5550 53.0067 44.7760 174.7109 35 L 4.9064 8.5823 128.8402 53.6733 42.9532 175.5431 36 A 4.6927 8.4027 129.1142 51.5227 21.9548 175.2313 37 N 4.1673 9.6367 119.9748 55.3457 36.1419 174.9942 38 E 4.0684 8.6318 108.0821 57.0480 27.7107 176.0364 39 T 4.9081 7.9569 115.8772 62.6039 72.0455 172.6996 40 L 4.9478 8.8836 128.2592 53.4759 44.1094 174.9795 41 K 5.6597 8.6932 125.3140 52.9727 36.0914 175.4670 42 L 4.2602 8.6439 126.5391 55.8941 42.3336 177.2351 43 S 4.6897 8.9994 119.4428 58.7751 65.5202 174.1373 44 H 5.0576 8.1457 116.1633 54.1348 33.1743 172.6628 45 V 5.0377 8.5596 121.1282 61.4007 34.8426 173.7860 46 Y 4.8885 9.2665 127.9202 55.0694 42.2243 173.2268 47 P 3.6058 0.0000 0.0000 62.3394 32.2225 177.9412 48 K 4.0920 8.7472 122.6128 57.9428 31.6007 179.5847 49 G 3.7185 7.9696 106.9515 47.5313 0.0000 174.2270 50 S 4.5489 7.6632 116.2744 56.5896 61.6731 172.6083 51 H 4.9888 7.5215 121.6317 54.8978 31.6842 174.2497 52 S 4.4343 8.7403 115.5846 60.0750 63.0065 174.5906 53 L 4.2066 7.5596 119.3371 53.4486 42.5290 176.3508 54 D 4.4288 8.4318 122.3790 54.1258 41.4737 176.1631 55 I 3.7680 7.8837 122.9216 63.2080 37.4731 176.7867 56 G 3.9758 9.0144 113.8002 44.9087 0.0000 174.0458 57 S 4.2704 7.7647 116.4479 59.2644 64.0475 173.5533 58 T 4.8894 8.3961 119.9549 62.8182 69.6794 174.2573 59 I 4.3551 8.5350 128.1321 59.1593 37.9048 174.3792 60 P 4.3797 0.0000 0.0000 62.1968 32.3389 176.7926 61 K 3.6167 8.1775 119.3177 59.0740 32.2291 177.5764 62 E 4.0401 7.8857 119.1936 57.5533 29.9617 175.9452 63 Q 3.5851 8.8024 123.1383 57.0106 26.7345 172.3411 64 S 5.2085 7.8748 114.5012 56.2533 63.6666 174.1538 65 L 3.8442 8.8962 130.9400 58.4330 42.0369 178.3498 66 Y 4.2974 8.3210 116.7297 61.1675 37.8447 178.8410 67 W 4.1372 8.4828 119.6963 59.5554 29.0670 178.5963 68 S 4.1946 8.2762 113.3343 61.2214 61.8222 176.0740 69 A 4.0725 8.0674 123.5583 55.0990 17.6493 179.6384 70 L 3.8149 7.8039 117.3443 58.0143 41.4636 179.5574 71 D 4.4383 8.5589 117.9082 57.5337 40.9298 178.5565 72 Q 4.0874 8.1857 116.4907 56.1371 29.0913 176.1904 73 R 3.5611 7.3582 116.7075 56.9808 28.2527 175.6201 74 Q 4.6822 7.7127 115.6178 54.4333 32.6979 174.5673 75 T 4.3354 8.5937 121.5092 63.6123 69.4327 173.8345 76 I 4.5576 8.5582 126.9702 59.3922 40.1474 174.1788 77 F 5.2643 8.8654 128.6394 56.4697 41.5320 174.6141 78 R 4.2485 7.8524 125.4294 54.2364 33.3143 173.9842 79 S 4.3582 8.4707 121.5364 58.4102 62.9977 173.4290 80 L 4.7250 8.9031 126.5834 55.1373 41.6433 177.3203 81 T 4.2257 7.8533 108.5308 61.5920 69.9830 174.3018 82 D 4.4359 7.8869 122.2887 54.1891 40.2247 175.9672 83 T 3.8505 8.4778 122.2357 64.7069 67.4312 174.5433 84 Q 4.3780 8.4236 118.5035 55.3550 28.7374 174.7993 85 D 4.7250 8.1101 117.9427 52.5579 42.5258 174.2402 86 N 4.8552 8.5238 124.7605 51.8299 41.5954 173.2525 87 F 5.0369 7.3104 116.0994 55.6018 40.7938 174.4114 88 Y 4.0758 9.2282 123.3747 60.9447 38.3088 177.6006 89 E 4.1141 8.4037 117.8775 58.1367 30.3523 178.5262 90 K 3.4180 7.4387 120.7400 59.4480 31.5753 178.5886 91 Q 3.9416 7.4370 116.9853 59.1899 28.0322 177.6387 92 Y 4.3849 7.1787 116.9833 59.5965 38.3685 177.2394 93 L 4.3428 7.6277 119.4844 57.2603 42.3419 178.5652 94 A 4.0137 8.4089 120.9737 55.2080 18.0298 179.3485 95 I 3.8239 7.2905 114.5481 63.1599 38.0227 176.3355 96 L 4.4303 7.5667 118.5459 54.4445 41.5154 176.1944 97 D 4.4877 8.1335 117.2047 55.2376 38.8651 173.5061 98 L 4.6383 7.8646 117.9410 54.5121 42.6737 176.8296 99 K 4.6604 8.9773 119.9317 56.3447 34.4539 175.6700 100 S 5.0265 7.7564 114.2069 57.1803 66.0747 172.7328 101 I 5.1851 8.7980 126.7143 59.2046 41.5279 173.2429 102 L 5.0222 9.4265 131.4258 53.2503 44.5791 174.9291 103 V 4.4735 8.6940 126.4426 61.3585 34.0208 174.1877 104 I 4.6789 8.8430 130.9639 58.6604 38.8986 173.6908 105 P 4.5211 0.0000 0.0000 62.7846 32.4006 175.8499 106 I 4.5246 9.0632 125.2888 60.0567 38.4896 174.2833 107 Y 5.3632 8.4213 124.8453 55.3386 40.8699 175.1998 108 S 4.6624 8.8851 116.7591 56.2490 65.5105 174.9281 109 K 4.0946 8.4979 118.4757 59.5659 32.4858 177.6593 110 N 4.6648 8.1898 116.5310 54.5427 39.4121 174.9178 111 K 4.6708 7.3151 111.8578 55.2057 35.8939 175.2069 112 R 4.4523 8.3751 118.6544 56.2184 30.8071 176.7490 113 V 4.2362 9.2048 121.2305 62.7741 34.0208 175.5218 114 G 3.9716 6.8702 104.7873 45.8567 0.0000 170.6854 115 V 4.6527 7.3402 118.7589 61.0079 35.4706 175.2159 116 L 5.0398 9.1787 129.4630 53.2943 44.5622 174.6891 117 S 4.9054 8.8120 121.1186 56.5910 65.0014 172.4639 118 I 4.9971 9.3071 129.3311 59.5527 39.8286 174.9689 119 G 4.6769 9.6178 114.8593 44.6058 0.0000 172.3214 120 R 5.3177 8.7039 120.7022 54.1639 33.4170 177.2076 121 K 4.3268 10.2455 123.1599 57.9506 32.4995 177.6055 122 Q 4.6929 7.7865 116.2386 54.2694 30.6568 176.2823 123 Q 4.3938 8.3996 121.4513 54.6008 27.3365 173.5216 124 I 4.4149 7.4897 120.1219 58.7166 39.5345 175.7061 125 D 4.3283 8.5803 125.0746 54.3123 41.2648 176.2042 126 W 4.2051 8.3346 122.6939 56.1682 29.9088 177.4132 127 S 4.5185 8.5615 118.6150 57.5848 64.9786 175.0356 128 L 3.9938 8.3605 123.5129 58.3676 41.8920 178.6017 129 D 4.4365 8.1513 118.3699 57.6754 40.7593 178.5100 130 D 4.5873 8.1196 118.8176 57.4138 40.8707 178.8679 131 L 3.9588 8.2175 119.3848 57.6321 41.7418 179.3898 132 A 3.9808 8.5388 121.1965 55.0431 18.3534 179.4291 133 F 4.3373 8.3069 120.3991 61.0267 39.5283 177.1882 134 L 3.8351 8.5116 121.4253 58.5030 41.3173 180.1418 135 E 3.8940 8.0788 118.1216 60.9942 29.1107 180.9314 136 Q 3.9763 7.8000 120.3820 58.8652 29.2697 177.9798 137 L 3.7739 7.5550 121.6228 58.2839 42.0402 179.0082 138 T 3.9112 8.1798 109.9555 64.4417 69.0033 176.5702 139 D 4.1690 8.1367 122.2068 57.5673 40.7818 178.3920 140 H 4.2520 8.0414 116.6610 58.4697 28.5894 177.5844 141 L 3.8544 7.6562 121.7413 57.9892 41.8697 178.8826 142 A 3.9496 7.9036 120.8128 54.9878 18.2744 179.8165 143 V 3.4657 7.3318 115.5834 66.3449 31.4398 178.4484 144 S 4.1100 7.7863 113.4775 61.6903 62.9888 176.5672 145 I 3.8507 7.9418 122.6161 64.2537 36.9621 178.0859 146 E 3.9991 8.1671 120.2418 59.1402 29.2609 177.7328 147 N 4.7582 7.9698 113.4116 53.7704 38.6826 176.7505 148 V 3.8673 7.6109 123.5655 65.7291 31.9453 176.1339 149 E 4.2911 7.6024 116.4958 55.8824 29.8546 177.1657 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 S 8.19 4.45 0.00 4.03 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 10 L 8.34 3.73 0.00 1.88 1.75 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 11 D 9.05 4.45 0.00 2.83 2.77 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 12 D 7.76 4.33 0.00 2.75 2.69 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 13 I 7.36 3.61 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.57 0.75 0.00 0.00 14 I 7.16 3.57 1.48 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.36 0.75 0.00 0.00 15 N 8.29 4.48 0.00 2.78 2.86 0.00 0.00 6.74 7.30 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 16 N 7.99 4.64 0.00 2.84 2.94 0.00 0.00 7.13 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 *18 I 7.74 4.03 1.91 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 1.37 0.77 0.56 0.00 0.00 19 D 8.16 4.35 0.00 2.78 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 20 K 7.92 4.20 0.00 1.81 1.94 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.58 7.81 21 L 7.95 4.18 0.00 1.83 1.71 0.66 1.03 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 22 K 8.07 3.93 0.00 1.93 1.91 0.00 1.23 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.62 7.81 23 L 7.85 4.53 0.00 1.78 1.71 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.83 4.61 0.00 1.67 1.42 1.05 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.07 4.50 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 1.24 0.00 0.00 1.21 0.00 0.00 26 H 9.05 4.41 0.00 3.07 3.09 0.00 5.84 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 27 F 7.99 4.78 0.00 3.49 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 28 D 9.07 4.85 0.00 2.63 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 29 R 8.23 5.14 0.00 1.93 1.87 0.00 3.41 0.00 0.00 3.49 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 30 I 9.60 5.43 2.04 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.57 0.88 0.00 0.00 31 S 9.11 5.32 0.00 3.92 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 32 F 9.54 5.35 0.00 3.07 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 33 L 7.99 4.73 0.00 1.20 1.28 0.60 0.33 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 34 L 8.39 4.52 0.00 1.48 1.38 0.98 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.58 4.91 0.00 1.46 1.60 0.92 1.23 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 36 A 8.40 4.69 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 37 N 9.64 4.17 0.00 2.89 2.92 0.00 0.00 6.89 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 38 E 8.63 4.07 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 2.13 1.88 0.00 39 T 7.96 4.91 4.45 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 1.26 0.00 0.00 40 L 8.88 4.95 0.00 1.69 1.53 0.56 0.51 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 41 K 8.69 5.66 0.00 1.65 1.60 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.52 1.19 7.81 42 L 8.64 4.26 0.00 1.72 1.52 0.92 0.84 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 43 S 9.00 4.69 0.00 3.92 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 44 H 8.15 5.06 0.00 3.29 3.31 0.00 5.56 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 45 V 8.56 5.04 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 0.92 0.00 0.00 1.04 0.00 0.00 46 Y 9.27 4.89 0.00 3.19 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 47 P 0.00 3.61 0.00 1.97 1.51 0.00 3.52 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 1.86 1.42 0.00 48 K 8.75 4.09 0.00 1.77 1.75 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.03 7.81 49 G 7.97 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.66 4.55 0.00 3.99 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 51 H 7.52 4.99 0.00 3.34 3.30 0.00 5.52 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.74 4.43 0.00 3.98 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 0.00 53 L 7.56 4.21 0.00 1.57 1.44 0.78 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.43 4.43 0.00 2.74 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 55 I 7.88 3.77 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.71 0.91 0.00 0.00 56 G 9.01 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 0.00 0.00 0.00 0.00 57 S 7.76 4.27 0.00 3.79 3.79 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 0.00 0.00 0.00 58 T 8.40 4.89 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 1.25 0.00 0.00 59 I 8.53 4.36 2.03 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.97 1.09 0.00 0.00 60 P 0.00 4.38 0.00 1.92 1.82 0.00 2.85 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.24 0.00 61 K 8.18 3.62 0.00 1.44 1.44 0.00 1.10 0.00 0.00 0.83 0.00 0.00 2.13 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.30 0.47 7.81 62 E 7.89 4.04 0.00 1.83 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 2.28 2.40 0.00 63 Q 8.80 3.59 0.00 2.41 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 64 S 7.87 5.21 0.00 4.21 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 65 L 8.90 3.84 0.00 1.43 1.45 0.34 0.79 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 66 Y 8.32 4.30 0.00 2.98 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 67 W 8.48 4.14 0.00 3.46 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 68 S 8.28 4.19 0.00 4.05 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 69 A 8.07 4.07 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 70 L 7.80 3.81 0.00 1.85 1.67 0.06 0.96 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 71 D 8.56 4.44 0.00 2.66 2.76 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 0.00 0.00 0.00 72 Q 8.19 4.09 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 73 R 7.36 3.56 0.00 1.84 1.84 0.00 2.92 0.00 0.00 2.98 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.28 0.00 74 Q 7.71 4.68 0.00 2.15 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.70 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 75 T 8.59 4.34 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 1.13 0.00 0.00 76 I 8.56 4.56 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 1.11 0.86 0.85 0.00 0.00 77 F 8.87 5.26 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.85 4.25 0.00 1.59 1.47 0.00 3.12 0.00 0.00 2.92 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 79 S 8.47 4.36 0.00 3.99 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 80 L 8.90 4.73 0.00 1.64 1.69 1.17 0.89 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 81 T 7.85 4.23 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 1.24 0.00 0.00 82 D 7.89 4.44 0.00 2.74 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 83 T 8.48 3.85 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 84 Q 8.42 4.38 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 85 D 8.11 4.72 0.00 2.76 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 86 N 8.52 4.86 0.00 2.60 2.62 0.00 0.00 7.03 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 F 7.31 5.04 0.00 3.40 3.07 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 88 Y 9.23 4.08 0.00 2.99 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.40 4.11 0.00 2.19 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 1.47 2.22 0.00 90 K 7.44 3.42 0.00 0.79 1.11 0.00 1.11 0.00 0.00 1.22 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.03 1.00 7.81 91 Q 7.44 3.94 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 1.50 1.16 0.00 92 Y 7.18 4.38 0.00 3.07 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 93 L 7.63 4.34 0.00 1.87 1.79 1.19 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.41 4.01 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 95 I 7.29 3.82 2.00 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 1.53 0.84 1.02 0.00 0.00 96 L 7.57 4.43 0.00 1.87 1.70 1.05 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.13 4.49 0.00 2.90 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.86 4.64 0.00 1.71 1.69 1.04 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 99 K 8.98 4.66 0.00 1.79 1.84 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.47 7.81 100 S 7.76 5.03 0.00 4.06 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 0.00 101 I 8.80 5.19 2.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.55 0.99 0.00 0.00 102 L 9.43 5.02 0.00 1.48 1.19 0.77 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.69 4.47 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 0.85 0.00 0.00 1.03 0.00 0.00 104 I 8.84 4.68 1.76 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.57 0.84 0.00 0.00 105 P 0.00 4.52 0.00 2.08 1.99 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 106 I 9.06 4.52 2.11 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.76 0.93 0.00 0.00 107 Y 8.42 5.36 0.00 3.06 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 0.00 108 S 8.89 4.66 0.00 3.98 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 0.00 109 K 8.50 4.09 0.00 1.88 1.97 0.00 1.55 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.47 7.81 110 N 8.19 4.66 0.00 2.93 2.92 0.00 0.00 6.77 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 7.32 4.67 0.00 1.95 1.89 0.00 1.33 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.44 7.81 112 R 8.38 4.45 0.00 1.81 1.84 0.00 3.16 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 113 V 9.20 4.24 2.28 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 1.15 0.00 0.00 0.97 0.00 0.00 114 G 6.87 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.34 4.65 1.66 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 0.42 0.00 0.00 0.65 0.00 0.00 116 L 9.18 5.04 0.00 1.75 1.40 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.81 4.91 0.00 3.35 3.60 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 0.00 118 I 9.31 5.00 1.84 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.43 1.14 0.00 0.00 119 G 9.62 4.68 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 0.00 120 R 8.70 5.32 0.00 1.86 1.91 0.00 2.74 0.00 0.00 2.84 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.72 0.00 121 K 10.25 4.33 0.00 1.69 1.89 0.00 1.65 0.00 0.00 1.57 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.65 1.55 7.81 122 Q 7.79 4.69 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.41 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 123 Q 8.40 4.39 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 124 I 7.49 4.41 1.79 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 1.39 0.58 0.81 0.00 0.00 125 D 8.58 4.33 0.00 2.60 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 0.00 126 W 8.33 4.21 0.00 3.13 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 0.00 127 S 8.56 4.52 0.00 4.08 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 0.00 128 L 8.36 3.99 0.00 1.76 1.73 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.15 4.44 0.00 2.76 2.74 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 0.00 130 D 8.12 4.59 0.00 3.03 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 0.00 131 L 8.22 3.96 0.00 1.74 1.69 0.98 0.70 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 0.00 132 A 8.54 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.31 4.34 0.00 3.16 3.35 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 0.00 134 L 8.51 3.84 0.00 1.74 1.56 0.69 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.08 3.89 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 136 Q 7.80 3.98 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 137 L 7.55 3.77 0.00 1.28 1.45 0.75 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 138 T 8.18 3.91 4.14 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 1.15 0.00 0.00 139 D 8.14 4.17 0.00 2.68 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 0.00 140 H 8.04 4.25 0.00 3.25 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.66 3.85 0.00 1.80 1.74 0.65 0.57 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 0.00 142 A 7.90 3.95 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 0.00 143 V 7.33 3.47 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 1.00 0.00 0.00 0.87 0.00 0.00 144 S 7.79 4.11 0.00 3.98 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 0.00 145 I 7.94 3.85 1.86 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.04 0.96 0.00 0.00 146 E 8.17 4.00 0.00 2.20 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 0.00 2.31 2.36 0.00 147 N 7.97 4.76 0.00 2.85 2.82 0.00 0.00 6.99 7.29 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 0.00 148 V 7.61 3.87 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 0.79 0.00 0.00 0.97 0.00 0.00 149 E 7.60 4.29 0.00 2.08 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 2.18 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.