NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4083 8.1927 115.4150 58.2264 64.4247 171.7003 2 V 4.1461 8.0918 120.4632 60.8284 32.7781 173.6621 3 R 4.6401 8.0606 125.5041 53.9383 33.6327 175.4511 4 K 4.1711 8.2537 120.4426 56.3112 32.9683 175.6329 5 I 4.6112 7.9666 125.5112 59.4531 38.8267 175.5295 6 L 4.2613 8.4663 125.7725 54.9278 42.3253 176.9928 7 R 4.7087 8.4600 121.7093 54.6778 32.7165 175.3836 8 M 4.0937 8.6299 122.3307 56.0635 32.0518 174.4527 9 G 3.4967 9.2076 119.3958 45.7563 0.0000 173.8046 10 D 4.4066 7.8977 122.1894 53.1461 41.6806 175.3959 11 P 4.2878 0.0000 0.0000 65.4352 32.0668 178.2542 12 I 3.4869 8.9513 121.1261 64.5492 36.9573 177.7182 13 L 4.1926 7.8423 118.8739 56.5559 41.3182 177.9913 14 R 4.7869 8.6730 117.7415 55.8503 31.7662 176.1742 15 K 4.3249 7.8543 118.5882 55.4333 33.6741 176.5736 16 I 4.2715 8.1078 123.5470 60.9962 37.5775 176.2852 17 S 4.5477 8.7457 124.3316 58.4313 63.6000 173.6518 18 E 4.7442 8.8156 121.0280 53.6883 32.4273 173.5014 19 P 4.6064 0.0000 0.0000 63.0823 32.4040 175.6403 20 V 4.4926 8.1654 120.6381 61.1848 33.3422 175.8899 21 T 4.1851 9.3891 120.0118 61.5587 69.5425 176.1766 22 E 4.1055 8.6383 118.5501 58.0175 30.1863 178.9066 23 D 4.6488 7.9064 117.3348 57.4540 41.7639 178.1966 24 E 3.8448 8.1718 119.5253 59.5647 29.2889 179.2795 25 I 2.1167 7.2432 110.2305 62.3272 37.4880 176.1942 26 Q 4.4542 7.9768 121.0435 57.1561 30.6263 177.0025 27 T 3.9760 7.8083 113.1541 61.6376 68.9529 180.8638 28 K 4.2851 8.9004 132.2075 59.8129 31.5147 178.6904 29 E 4.2484 8.1813 117.2033 61.1377 29.9699 182.0367 30 F 4.6080 8.2427 123.4479 62.0133 39.7055 177.7659 31 K 3.8292 8.5941 125.2119 60.7185 31.2434 181.5443 32 K 4.2343 7.8587 124.0975 59.4336 31.5342 181.3756 33 L 4.0537 7.7997 121.4717 58.4495 41.9280 178.6451 34 I 3.6920 7.6124 121.0940 65.3228 36.9686 178.5096 35 R 4.0221 7.9304 120.3018 61.9534 29.2822 180.3173 36 D 4.7920 8.3399 121.2212 56.8647 40.9171 178.6464 37 M 3.9082 8.6915 119.5635 58.9572 32.0400 178.5477 38 F 3.9839 8.5163 117.6067 61.1563 39.0252 177.6641 39 T 4.1290 8.6872 115.4480 67.3408 68.3425 176.8144 40 T 3.9230 8.4213 117.7878 66.6440 68.5622 176.5556 41 M 3.9922 8.4961 120.3922 58.8895 32.1893 178.2209 42 R 3.9859 8.5676 118.4985 59.6599 29.9961 178.5396 43 H 4.1335 7.8754 116.6515 59.2188 30.1185 176.6910 44 A 4.2476 7.7260 118.1937 51.7388 18.8671 176.5576 45 E 3.6404 7.7612 116.0844 57.3943 27.1903 174.5235 46 G 4.0471 7.9203 106.5467 44.5539 0.0000 173.9387 47 V 4.1646 7.9710 117.6442 63.2962 33.0922 174.9329 48 G 4.2192 7.6511 104.6076 47.1962 0.0000 172.0873 49 L 4.7895 8.6562 120.0837 53.7673 46.0823 173.4533 50 A 5.0336 8.8067 126.2353 49.9096 21.6683 176.7920 51 A 3.8853 8.7751 125.4601 55.0128 18.4194 178.4254 52 P 4.3088 0.0000 0.0000 66.4635 31.0268 178.1736 53 Q 3.9397 8.4615 117.9961 57.8092 28.3903 177.9697 54 I 4.8690 7.1675 113.0689 59.1690 38.4004 175.9283 55 G 4.0815 8.4369 109.1102 45.4899 0.0000 173.5636 56 I 4.3906 7.5290 120.3288 59.4674 39.1992 176.5623 57 L 4.5072 8.2180 128.5316 53.4464 39.8022 175.6164 58 K 4.9815 7.6125 118.1871 54.3549 36.6778 178.4135 59 Q 4.4294 8.9795 123.7013 55.7981 26.9322 173.3652 60 I 5.0003 7.7787 120.8474 59.3227 41.3088 174.3018 61 V 4.8720 9.2273 126.9907 60.9616 35.1777 174.3724 62 V 4.5693 8.5276 124.8362 61.2169 34.5815 174.6483 63 V 4.8542 9.4845 119.9214 58.7143 36.0498 174.9209 64 G 4.8238 7.8322 125.8254 46.9043 0.0000 172.9806 65 S 4.6541 8.3832 122.8710 56.4453 62.6407 170.6183 66 E 3.5231 8.2444 121.0552 58.6094 30.1435 175.1741 67 D 4.7123 8.1335 117.3737 51.2169 39.0971 178.4050 68 N 4.5784 7.1846 117.3302 54.0042 41.1470 173.9963 69 E 4.1429 7.8406 118.2249 56.5698 28.8047 178.5504 70 R 4.3670 8.4255 125.6145 56.5172 29.9968 176.1197 *71 Y 4.6075 7.9887 115.4995 61.4427 38.0269 181.5300 72 P 3.4647 0.0000 0.0000 62.7681 33.5549 176.7718 73 G 3.7686 8.6109 120.7981 48.5816 0.0000 173.2428 74 T 3.7842 7.7381 114.4843 60.9527 66.9118 172.3981 75 P 4.3213 0.0000 0.0000 62.4662 32.0454 175.6223 76 D 4.7064 8.3269 120.5919 53.1246 42.2812 176.0947 77 V 4.3885 8.1813 124.2094 60.4853 33.1543 173.2163 78 P 4.6982 0.0000 0.0000 62.5667 32.0142 176.0818 79 E 4.4451 8.8548 121.8118 57.4022 30.1210 176.2850 80 R 4.5661 8.6757 120.3552 55.9305 34.4990 172.8773 81 I 4.7530 8.6812 125.0691 59.7510 39.3088 174.9221 82 I 4.6463 8.7019 127.8127 59.4728 40.0189 174.5864 83 L 5.1053 8.6454 126.1339 53.4226 45.2330 176.5540 84 N 4.2654 8.6846 120.2517 53.7259 36.7278 172.9420 85 P 4.8414 0.0000 0.0000 63.0463 33.1878 177.4724 86 V 4.4243 8.6539 121.0557 61.6887 34.6277 174.0036 87 I 5.0877 8.4981 128.0204 60.1203 40.2116 175.3414 88 T 4.6601 8.2756 120.4948 61.4628 72.6099 172.0280 89 P 4.7050 0.0000 0.0000 62.8418 31.6958 176.1759 90 L 4.7129 8.8624 121.5779 55.2052 43.8347 176.2446 91 T 4.6358 7.6974 110.9634 60.7405 70.4345 173.0460 92 K 4.4037 8.3996 122.0604 56.3865 32.9164 176.9169 93 D 4.7777 7.7196 120.3782 54.3970 41.9057 175.4855 94 T 5.1259 8.4181 110.9731 60.0446 72.2262 173.3449 95 S 4.6494 8.5124 118.2267 56.6273 66.0767 174.2742 96 G 4.2630 8.8819 112.0032 45.9155 0.0000 172.1270 97 F 4.4341 6.9265 119.0531 57.0194 43.7088 173.2094 98 W 4.9551 8.9082 125.7148 56.0084 29.2661 175.7815 99 E 4.5574 9.1115 125.5161 55.3108 31.3736 175.8333 100 G 4.3427 8.0244 107.1626 45.0062 0.0000 171.7197 101 C 5.1077 8.8673 123.3401 56.9463 34.1155 174.7179 102 L 4.2921 8.6813 125.6101 57.9672 41.5271 178.6870 103 S 4.5142 8.1849 113.3616 59.9074 63.4563 173.5391 104 V 4.6902 8.0571 120.9538 59.6363 30.8703 172.2975 105 P 4.3826 0.0000 0.0000 63.9981 32.0480 177.5142 106 G 4.0852 9.4088 108.5830 46.2361 0.0000 172.2822 107 M 5.6606 7.5219 116.6922 52.8946 36.2206 174.4670 108 R 5.0597 8.6728 119.3246 54.9926 35.0789 174.4438 109 G 4.7458 9.2719 106.3888 45.3511 0.0000 171.8307 110 Y 4.1013 8.1207 125.6752 56.8986 39.8114 174.4575 111 V 4.4185 8.4754 126.4995 61.1012 34.9363 173.6283 112 E 4.8231 8.5752 127.4719 55.1124 30.7454 175.5854 113 R 4.7454 8.0133 122.1314 53.2634 34.6363 173.3880 114 P 5.2675 0.0000 0.0000 62.3802 32.1467 176.1096 115 N 4.9521 8.7205 117.0987 52.7300 39.0992 173.7240 116 Q 4.8354 7.8951 118.9725 54.7735 32.6901 173.7471 117 I 5.0446 8.8501 117.3580 59.0786 41.8352 174.4172 118 R 4.8910 9.0909 125.0236 55.3225 31.2046 174.3593 119 M 5.1063 8.6937 126.4841 54.0381 35.4572 174.5567 120 Q 5.2551 9.1138 122.7962 54.3148 32.6368 173.7600 121 W 5.3882 8.3407 122.7327 56.6881 31.9682 173.1557 122 M 5.4081 8.9086 114.5419 56.2578 35.8431 175.4113 123 D 5.4217 8.6499 124.5288 51.2688 42.0442 176.7610 124 E 3.8457 8.9890 118.6409 59.4606 29.4112 178.9596 125 K 4.1386 8.1806 116.1388 57.0435 32.5816 177.6767 126 G 4.0042 8.7850 107.0025 44.8573 0.0000 173.6597 127 N 4.1606 8.5598 121.1543 53.7278 39.0190 174.2999 128 Q 4.7584 8.0374 122.9452 54.0663 29.7121 172.8766 129 F 4.2885 7.4339 122.4913 55.0482 42.2376 174.7206 130 D 5.2171 7.6397 112.6185 54.5763 42.0859 173.9742 131 E 4.9393 8.4558 122.3291 54.2185 34.5313 174.1199 132 T 4.9405 8.5108 115.3881 60.9039 68.6913 173.6539 133 I 4.7221 8.7778 130.1806 60.0970 40.0329 174.2626 134 D 4.9932 7.7395 122.6716 52.6726 43.0239 175.8701 135 G 3.9228 7.9770 108.1744 45.8882 0.0000 174.3014 136 Y 3.9051 8.0116 117.8049 60.1025 39.3625 178.3749 137 K 3.2429 8.0835 119.0215 59.4406 32.1368 178.5646 138 A 3.7591 7.6321 120.5218 55.4592 18.0715 179.5354 139 I 3.3620 7.2313 117.3144 64.6503 37.0960 178.0981 140 V 3.2200 7.3239 118.8775 66.2571 31.1236 177.3209 141 Y 4.3348 8.4121 116.4989 61.5804 37.8792 179.2227 142 Q 3.9294 8.5160 118.7630 59.1435 28.5951 178.2730 143 H 4.0452 8.1059 118.1225 59.3909 29.8150 176.7829 144 E 3.9283 8.3545 120.2484 59.7037 29.5230 178.7902 145 C 3.9798 8.7520 119.2323 62.6502 31.3183 175.4230 146 D 4.3261 8.0840 120.3497 57.9042 40.6136 178.3359 147 H 3.9917 8.0905 116.0301 59.0970 28.6541 177.6028 148 L 4.1446 7.9715 120.0718 56.9092 41.1062 178.2337 149 Q 4.2632 8.3679 116.7114 55.1568 28.7520 175.5213 150 G 4.0149 7.6661 104.4437 47.4926 0.0000 174.3870 151 I 4.6331 7.6739 118.4147 58.9659 40.5919 175.2714 152 L 4.6204 8.3298 124.7514 52.6792 43.7708 177.0458 153 Y 3.8259 8.7614 120.8248 60.7845 36.8824 179.1752 154 V 2.6256 6.8394 118.9191 65.6780 31.1449 177.2743 155 D 4.4149 8.5615 118.1746 55.8462 40.6762 177.0666 156 R 4.4685 8.0070 117.3855 55.3163 30.7491 176.0373 157 L 3.8833 7.2168 117.9022 55.1940 42.1426 177.3401 158 K 4.0487 8.3211 124.6868 58.8858 32.6120 176.6685 159 D 4.7163 7.7620 117.6787 52.3988 43.8557 175.7928 160 T 4.0743 8.6831 116.7393 64.0350 69.0496 175.5551 161 K 4.1807 8.3341 122.0101 59.4816 32.7939 178.0876 162 L 4.6232 7.9387 120.8472 52.0067 40.0084 175.1030 163 F 5.3103 7.4457 117.1949 57.7666 43.0924 173.7522 164 G 3.7623 7.7309 111.2509 46.2486 0.0000 171.6566 165 F 4.9798 8.2879 118.0332 57.0155 40.3341 176.8163 166 N 4.3142 9.5790 124.5106 57.6881 38.2661 178.3096 167 E 3.9404 7.9199 117.7908 61.0108 30.0301 180.5107 168 T 4.6108 7.5469 106.9404 61.8657 69.7458 176.1502 169 L 4.1055 7.8760 121.6228 56.5898 42.4593 176.6060 170 D 4.6777 7.7352 119.3994 52.9639 40.8783 176.2489 171 S 4.1371 7.5514 117.9143 58.9994 62.1881 174.0179 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 1 S 8.19 4.41 0.00 4.02 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 0.00 2 V 8.09 4.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.93 0.00 0.00 3 R 8.06 4.64 0.00 1.78 1.81 0.00 3.21 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 4 K 8.25 4.17 0.00 1.78 1.66 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.46 7.81 5 I 7.97 4.61 1.89 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 1.42 0.74 1.00 0.00 0.00 6 L 8.47 4.26 0.00 1.55 1.61 1.03 0.77 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 7 R 8.46 4.71 0.00 1.75 1.86 0.00 3.34 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 8 M 8.63 4.09 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 9 G 9.21 3.50 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 0.00 0.00 0.00 10 D 7.90 4.41 0.00 2.72 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 11 P 0.00 4.29 0.00 2.25 2.29 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 2.07 1.98 0.00 12 I 8.95 3.49 1.95 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 1.45 1.29 0.91 0.00 0.00 13 L 7.84 4.19 0.00 1.76 1.66 0.96 0.84 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 14 R 8.67 4.79 0.00 1.74 1.89 0.00 3.22 0.00 0.00 3.11 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 15 K 7.85 4.32 0.00 1.79 1.72 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.40 7.81 16 I 8.11 4.27 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.46 0.96 0.00 0.00 17 S 8.75 4.55 0.00 3.78 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 18 E 8.82 4.74 0.00 2.01 2.04 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 2.32 2.26 0.00 19 P 0.00 4.61 0.00 1.95 2.06 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.25 0.00 20 V 8.17 4.49 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 0.73 0.00 0.00 0.99 0.00 0.00 21 T 9.39 4.19 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 1.23 0.00 0.00 22 E 8.64 4.11 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 23 D 7.91 4.65 0.00 2.62 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 24 E 8.17 3.84 0.00 1.78 1.90 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 2.30 2.29 0.00 25 I 7.24 2.12 1.62 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 1.49 0.26 0.49 0.00 0.00 26 Q 7.98 4.45 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 27 T 7.81 3.98 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 28 K 8.90 4.29 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.07 7.81 29 E 8.18 4.25 0.00 2.06 1.90 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 2.23 1.94 0.00 30 F 8.24 4.61 0.00 3.18 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 31 K 8.59 3.83 0.00 1.80 1.84 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.11 7.81 32 K 7.86 4.23 0.00 1.73 1.84 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.31 7.81 33 L 7.80 4.05 0.00 1.71 1.65 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.61 3.69 1.91 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.36 1.07 0.00 0.00 35 R 7.93 4.02 0.00 1.85 1.98 0.00 3.28 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 36 D 8.34 4.79 0.00 2.87 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 37 M 8.69 3.91 0.00 1.83 2.16 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 2.72 2.54 0.00 38 F 8.52 3.98 0.00 3.26 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 39 T 8.69 4.13 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 1.25 0.00 0.00 40 T 8.42 3.92 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 41 M 8.50 3.99 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.68 0.00 42 R 8.57 3.99 0.00 2.02 2.04 0.00 3.40 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 43 H 7.88 4.13 0.00 3.22 3.54 0.00 5.75 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.73 4.25 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.76 3.64 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 46 G 7.92 4.05 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 0.00 0.00 0.00 47 V 7.97 4.16 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 1.01 0.00 0.00 1.00 0.00 0.00 48 G 7.65 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.99 0.81 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 91 T 7.70 4.64 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 92 K 8.40 4.40 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.39 7.81 93 D 7.72 4.78 0.00 2.61 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 94 T 8.42 5.13 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 1.19 0.00 0.00 95 S 8.51 4.65 0.00 3.76 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 96 G 8.88 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 0.00 0.00 0.00 0.00 97 F 6.93 4.43 0.00 3.18 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 98 W 8.91 4.96 0.00 3.22 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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4.95 0.00 2.80 2.99 0.00 0.00 5.71 7.13 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 0.00 116 Q 7.90 4.84 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 117 I 8.85 5.04 1.88 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 1.23 1.27 0.90 0.00 0.00 118 R 9.09 4.89 0.00 1.92 1.89 0.00 3.10 0.00 0.00 3.13 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 119 M 8.69 5.11 0.00 2.05 1.85 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 120 Q 9.11 5.26 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.23 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 121 W 8.34 5.39 0.00 3.35 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 0.00 122 M 8.91 5.41 0.00 2.21 1.90 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.30 0.00 123 D 8.65 5.42 0.00 3.06 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.99 3.85 0.00 2.10 2.34 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 2.48 2.62 0.00 125 K 8.18 4.14 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.52 7.81 126 G 8.78 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.56 4.16 0.00 2.68 2.11 0.00 0.00 6.92 6.81 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 0.00 128 Q 8.04 4.76 0.00 1.82 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.80 0.00 0.00 0.00 0.00 0.00 2.19 1.93 0.00 129 F 7.43 4.29 0.00 1.51 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 0.00 0.00 0.00 0.00 130 D 7.64 5.22 0.00 2.61 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 0.00 131 E 8.46 4.94 0.00 2.24 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 132 T 8.51 4.94 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 1.27 0.00 0.00 133 I 8.78 4.72 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.05 0.78 0.00 0.00 134 D 7.74 4.99 0.00 2.71 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 0.00 135 G 7.98 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 0.00 136 Y 8.01 3.91 0.00 3.00 2.85 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 0.00 137 K 8.08 3.24 0.00 1.46 0.97 0.00 1.50 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.41 7.81 138 A 7.63 3.76 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 0.00 139 I 7.23 3.36 1.42 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.66 0.43 0.00 0.00 140 V 7.32 3.22 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 1.02 0.00 0.00 0.18 0.00 0.00 141 Y 8.41 4.33 0.00 3.00 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 0.00 142 Q 8.52 3.93 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 143 H 8.11 4.05 0.00 2.99 3.41 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.35 3.93 0.00 2.06 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 2.42 2.40 0.00 145 C 8.75 3.98 0.00 2.92 2.94 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 0.00 146 D 8.08 4.33 0.00 3.08 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 0.00 147 H 8.09 3.99 0.00 3.22 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.97 4.14 0.00 1.83 1.71 0.90 0.60 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 0.00 149 Q 8.37 4.26 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 150 G 7.67 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 0.00 151 I 7.67 4.63 1.82 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 1.37 0.74 0.95 0.00 0.00 152 L 8.33 4.62 0.00 1.52 1.36 0.83 0.47 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 0.00 153 Y 8.76 3.83 0.00 3.19 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 0.00 154 V 6.84 2.63 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 0.63 0.00 0.00 0.08 0.00 0.00 155 D 8.56 4.41 0.00 2.60 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 0.00 156 R 8.01 4.47 0.00 1.81 1.87 0.00 3.17 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 157 L 7.22 3.88 0.00 1.49 1.52 0.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 158 K 8.32 4.05 0.00 1.75 1.93 0.00 2.01 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.40 7.81 159 D 7.76 4.72 0.00 2.69 2.44 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 0.00 0.00 0.00 0.00 160 T 8.68 4.07 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 1.18 0.00 0.00 161 K 8.33 4.18 0.00 1.84 1.98 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.77 7.81 162 L 7.94 4.62 0.00 1.80 1.36 0.70 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 163 F 7.45 5.31 0.00 2.90 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 G 7.73 3.76 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 0.00 0.00 0.00 165 F 8.29 4.98 0.00 3.03 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 0.00 166 N 9.58 4.31 0.00 2.80 2.90 0.00 0.00 6.94 7.89 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 0.00 167 E 7.92 3.94 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.99 0.00 168 T 7.55 4.61 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 1.19 0.00 0.00 169 L 7.88 4.11 0.00 1.54 1.50 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 170 D 7.74 4.68 0.00 2.61 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 0.00 171 S 7.55 4.14 0.00 3.74 3.62 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 * Residues marked with a * may have inaccurate shift predictions.