NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5060 8.3044 120.6209 55.3739 34.8191 175.8757 2 K 4.0775 7.8463 120.1010 56.2527 33.4939 174.2933 3 K 5.1782 10.7800 129.0150 55.0081 34.7499 174.8105 4 I 5.0218 9.1466 126.4198 59.5171 40.3627 174.6023 5 V 4.7257 8.7693 127.3265 61.2412 33.6820 174.2438 6 L 4.8471 8.6910 127.7517 52.9746 44.5966 174.7906 7 Y 4.6894 8.6663 125.8260 55.6470 40.1996 174.5784 8 G 4.1737 8.0378 113.9748 45.9752 0.0000 171.2759 9 G 2.9473 7.9180 107.3830 44.8601 0.0000 174.4828 10 Q 3.7834 8.5265 122.3429 56.9997 29.6407 176.2208 11 F 3.9293 7.3529 115.5249 59.0262 36.6238 175.3485 12 N 5.2972 7.6380 117.7753 51.2496 39.0018 170.8973 13 P 5.0222 0.0000 0.0000 60.0367 33.8262 176.3061 14 I 3.9842 8.0563 119.0399 61.5363 38.3987 174.2728 15 H 5.0222 8.3680 119.8009 53.5328 31.9694 173.9649 16 T 3.9174 8.8402 115.1772 66.8147 67.9802 176.8065 17 A 4.1277 8.1652 122.3704 55.4698 18.4771 179.1277 18 H 4.5931 8.3525 114.3231 59.5636 28.7829 177.7645 19 M 4.2554 8.1100 120.5687 58.3572 31.7481 178.9067 20 I 3.7724 7.7469 119.6587 64.2300 37.2849 178.4988 21 V 3.5756 8.0565 118.8469 65.9917 31.3237 177.9083 22 A 4.0637 8.1236 120.2981 55.2609 18.3244 179.3559 23 S 4.2605 8.4130 111.7309 61.7655 62.4888 176.2361 24 E 3.9729 8.3473 121.0632 59.4633 29.1640 179.5919 25 V 3.5472 7.7527 118.1556 65.8422 31.6417 177.7073 26 F 3.8935 8.1975 120.4181 61.7498 38.8876 176.9122 27 H 3.9174 7.7519 114.2314 58.4500 28.4870 177.2844 28 E 3.9669 7.9506 120.4964 59.0278 29.6860 178.2372 29 L 4.0320 7.8386 116.3972 54.0554 43.1789 176.4955 30 Q 2.6679 7.4636 117.8153 55.9470 26.6035 171.6734 31 P 4.4357 0.0000 0.0000 62.4886 32.7504 176.7207 32 D 4.6310 8.8067 119.6711 56.9121 41.3223 176.8973 33 E 4.8230 8.1508 115.8133 54.4663 34.8244 174.6035 34 F 4.9230 8.4280 123.3331 56.8363 42.8370 172.6830 35 Y 5.3529 8.4709 124.7178 56.0751 40.6613 175.2547 36 F 4.5986 9.2604 124.1716 57.5633 40.5025 174.4399 37 L 5.0478 9.1452 127.7487 52.3501 42.3213 172.2343 38 P 5.2496 0.0000 0.0000 62.2699 32.1814 176.7571 39 S 4.6866 8.6634 118.9123 57.4257 63.9169 174.1225 40 F 4.2353 9.1361 123.1046 60.3919 39.6402 175.5397 41 M 4.5046 7.9784 123.2848 52.8990 34.2244 175.3489 42 S 4.3058 8.7312 119.8015 57.2096 62.5133 172.8720 43 P 4.3609 0.0000 0.0000 63.4428 31.6860 176.1419 44 L 3.9065 8.6344 117.0312 55.3409 38.9762 174.4899 45 K 4.5714 7.3028 117.3396 54.6066 35.3440 175.6888 46 K 4.1928 8.3815 124.2604 56.3291 33.4298 177.4025 47 H 4.9289 8.3021 120.1079 54.7889 28.5310 173.8537 48 H 4.5304 7.2526 114.9411 56.2229 30.1083 175.1889 49 D 4.3605 8.7629 118.1147 55.3406 37.8660 174.6029 50 F 4.1008 8.3949 121.2312 58.2605 39.3580 174.4786 51 I 4.0539 7.7288 121.8617 59.4662 38.9653 175.1183 52 D 4.3071 8.5008 120.1788 54.4982 41.7236 176.9677 53 V 3.4600 8.6795 125.6101 66.5870 31.2299 177.8275 54 Q 3.9746 8.5556 118.9274 59.2867 28.7790 178.0130 55 H 4.3470 7.9414 116.7956 59.1144 28.8525 177.8095 56 R 3.9383 7.9791 119.1384 59.4082 29.9443 179.0393 57 L 3.9541 7.7980 118.1832 57.9408 41.5980 179.6407 58 T 3.6770 7.9551 115.7863 66.8606 68.4728 176.5926 59 M 3.7990 7.6975 120.4608 58.2171 31.9223 178.8066 60 I 3.1988 7.4069 119.8729 64.3464 37.1760 178.2001 61 Q 3.7822 7.8485 120.1628 59.3958 28.8597 178.2284 62 M 3.8920 7.7599 119.6559 58.3158 31.8401 178.7980 63 I 3.4847 7.3042 119.4726 64.2134 37.1790 178.4843 64 I 3.3175 7.3493 120.5189 64.3247 36.6999 177.8882 65 D 4.2831 7.7614 118.4879 57.5853 40.7676 178.5929 66 E 3.9888 7.6244 117.7485 59.3306 29.7461 178.5550 67 L 4.0414 7.7973 118.3268 55.4805 41.6238 178.4525 68 G 3.9078 8.6073 105.4829 45.2578 0.0000 172.5757 69 F 4.6514 6.9635 112.4414 55.2523 40.7903 174.4017 70 G 4.2029 9.7533 107.1064 45.7639 0.0000 172.4905 71 D 4.9217 8.5676 117.0518 52.6807 45.4902 176.6385 72 I 4.9078 8.3163 122.6352 60.5889 38.9625 176.9207 *74 D 4.6451 8.5571 126.1789 53.9977 41.2282 176.6041 75 D 4.4223 8.4239 121.8447 58.4685 40.5920 178.7502 76 E 4.0932 8.2119 118.1033 59.2091 29.3093 179.3134 77 I 3.9880 7.7653 118.8779 64.3533 37.3605 178.0374 78 K 4.0901 7.8290 118.1820 59.5900 31.9877 179.1770 79 R 3.9601 7.8449 117.4099 57.9093 30.3478 177.7851 80 G 2.8555 8.3799 107.1357 45.2303 0.0000 172.9166 81 G 3.7849 7.5836 106.6830 44.7994 0.0000 172.3850 82 Q 4.1647 8.4037 118.1155 56.2093 29.2882 177.5170 83 S 4.4460 8.0174 121.1050 57.4308 61.7572 172.7767 84 Y 4.3170 7.3886 120.1929 57.5881 39.2280 175.8929 85 T 3.9150 8.6599 122.3364 66.7981 68.6047 175.5676 86 Y 4.1932 8.4489 120.9441 61.0691 38.7230 178.0540 87 D 4.2767 8.4484 118.8953 57.6417 41.0725 178.5137 88 T 3.9028 7.7727 115.6292 66.9925 68.5241 176.7073 89 I 3.7665 8.1567 121.8231 64.0861 36.8811 178.1971 90 K 3.6793 7.9075 120.4079 59.6621 31.6684 178.6398 91 A 4.0633 7.5559 118.9948 55.0592 18.6915 179.0863 92 F 4.1225 8.3939 119.2866 61.3069 39.5684 177.3689 93 K 4.1606 8.4997 119.6821 59.0677 31.8358 177.9120 94 E 4.2755 7.7338 114.0858 57.4775 29.7941 177.6079 95 Q 4.4602 7.4876 117.5643 55.8985 30.6466 175.4421 96 H 4.7909 7.7273 117.1546 54.4285 30.1264 173.2744 97 K 4.1998 7.6574 118.4893 57.3568 32.8866 177.6305 98 D 4.6799 8.8832 117.8306 54.5848 38.1408 173.5503 99 S 5.0511 7.7271 112.9462 56.3799 65.9016 173.0430 100 E 4.2950 9.4978 124.5981 55.7281 30.9019 174.7988 101 L 5.2799 8.3316 126.3275 53.2727 44.5721 174.7637 102 Y 4.9739 8.9870 120.7664 56.0296 41.5328 174.2204 103 F 4.9769 8.9894 126.4930 56.2748 41.8695 174.1643 104 V 4.7137 8.0528 127.5910 62.4705 32.1068 175.1689 105 I 5.0722 9.1122 120.5467 59.4904 41.8504 174.6991 106 G 4.5560 8.6797 110.2657 44.8804 0.0000 174.6321 107 T 4.1033 8.8165 116.0319 67.0035 68.0817 176.2243 108 D 4.4336 8.2662 118.7850 56.7177 39.4204 178.2600 109 Q 4.3672 8.1639 118.6289 58.5712 28.6944 177.0795 110 Y 3.9418 7.9622 120.6430 61.1158 38.5623 178.3067 111 N 4.4541 8.4265 115.3162 54.8281 38.7010 175.5529 112 Q 4.6320 7.7074 118.6842 55.4970 29.4157 177.4531 113 L 3.2170 7.3680 123.0597 58.4868 42.1087 178.7940 114 E 4.0260 7.9827 116.8781 58.5620 29.4121 177.5357 115 K 4.4233 8.0415 116.6835 56.2934 32.6700 177.0455 116 W 4.5581 8.0013 119.7132 56.0279 29.7444 175.5025 117 Y 4.1588 8.7525 123.0012 58.8751 38.9702 175.6385 118 Q 3.1769 8.3589 126.0009 56.4503 26.6200 175.7008 119 I 3.8009 7.8620 118.4002 64.4354 37.9118 176.1009 120 E 3.8827 8.0285 118.0051 59.6463 29.5042 178.4957 121 Y 4.2685 7.8312 116.2850 60.8114 38.0954 177.7250 122 L 4.1823 8.3580 121.4397 58.1418 42.0787 179.0272 123 K 4.2391 8.3067 117.0119 58.6437 32.1639 177.6984 124 E 4.2691 7.9155 117.4700 58.0586 29.8965 177.3542 125 M 4.3118 7.9365 117.3442 56.2325 32.8324 176.3931 126 V 4.5438 7.2526 109.2971 59.5858 36.0370 175.3949 127 T 4.3300 8.1042 119.6817 62.1027 69.9349 174.5032 128 F 4.7387 8.7502 126.2418 57.4270 40.6125 174.4836 129 V 4.7828 9.2916 124.1069 61.2947 33.8389 174.1684 130 V 4.8945 9.0046 129.0878 61.3391 33.4564 174.7529 131 V 5.2971 8.7092 121.2208 58.4731 34.3464 175.0807 132 N 4.6136 8.6961 121.8458 53.1058 37.8913 174.3739 133 R 4.4815 8.5728 122.9197 55.7644 32.8171 174.2673 134 D 4.5730 9.7660 123.8379 54.5733 37.9481 173.1769 135 K 4.3461 7.5716 115.9821 56.9769 34.4998 174.3445 136 N 4.7420 8.6465 115.2070 53.6957 39.3492 175.4538 137 S 4.5655 7.5651 111.4264 56.7291 65.4273 172.6076 138 Q 4.4807 8.4644 127.1624 54.2034 30.9917 174.2179 139 N 4.7207 8.6455 122.9365 52.4028 39.7572 174.7550 140 V 4.6294 8.0797 114.1439 57.7517 35.8953 175.1247 141 E 4.3010 8.4792 118.7268 55.9916 30.2047 177.8154 142 N 4.3825 8.6739 117.0524 55.9776 38.7134 176.3690 143 A 4.1513 8.0102 119.5192 53.8635 18.8322 176.5429 144 M 4.8838 7.8153 114.6808 53.7063 35.3551 175.3039 145 I 4.5675 8.6039 120.1506 59.6202 40.0386 174.8487 146 A 4.9473 8.6291 128.9372 50.7362 20.3411 176.0625 147 I 4.3733 8.4227 123.9195 59.4939 39.6547 175.0479 148 Q 4.7359 8.7388 127.2100 55.3045 29.2432 175.6593 149 I 4.5980 8.9969 117.5357 57.7614 40.5037 173.6596 150 P 4.2351 0.0000 0.0000 62.5527 31.5218 176.4619 151 R 3.9387 8.5554 124.0745 56.1979 30.3949 175.7650 152 V 4.2409 8.1670 124.2573 61.4694 33.8058 175.7163 153 D 4.7117 8.5567 132.6196 53.3000 39.6701 176.5750 154 I 4.4101 7.2776 119.5041 59.5013 39.4995 176.5154 155 S 4.8694 8.0273 118.6766 56.0892 67.2369 175.3554 156 S 4.1805 8.6227 118.4457 62.0368 62.4984 176.9217 157 T 3.7958 7.9338 117.9751 66.8921 68.1583 175.7505 158 M 3.9535 7.8640 119.5979 58.7867 32.1875 178.3279 159 I 3.6361 7.3325 119.1005 64.5307 37.4171 178.6146 160 R 3.5884 7.7720 118.7993 59.1140 29.9403 178.9885 161 Q 3.9254 8.2960 119.5274 59.1693 29.0149 178.2760 162 R 3.9056 8.0650 119.1818 59.3965 30.1528 179.1061 163 V 3.6083 7.8896 118.0171 66.1280 31.3084 178.1782 164 S 4.1743 7.8628 112.7898 61.0116 62.8634 175.2711 165 E 4.4376 7.9144 118.0476 55.5894 29.6479 176.9359 166 G 3.8605 7.6965 106.9570 46.2172 0.0000 173.8915 167 K 4.1946 8.0360 120.6326 55.0312 32.8943 176.8435 168 S 4.2470 8.5707 120.0555 58.7793 62.4809 173.6923 169 I 4.4708 8.1188 118.5583 60.3579 37.8451 174.8365 170 Q 3.9286 7.6413 121.6660 58.3256 29.3482 176.1844 171 V 3.9122 8.7115 128.2735 63.6199 31.5217 172.8301 172 L 4.1155 7.8068 118.5264 56.9557 41.6724 177.2383 173 V 4.7794 7.0778 108.7180 58.1035 34.9554 174.2097 174 P 4.4587 0.0000 0.0000 62.2040 33.1765 177.5738 175 K 3.8878 8.6107 120.5496 59.7661 32.0574 179.2246 176 S 4.1141 7.9478 114.0576 61.4681 62.9564 176.5232 177 V 3.5965 7.6974 121.6774 65.3726 31.3595 177.1879 178 E 3.9501 8.4148 119.2458 59.7252 29.5372 178.7066 179 N 4.3741 8.3379 116.2080 56.2756 38.5461 176.9605 180 Y 3.9727 7.9543 121.0512 60.6011 38.9432 177.6219 181 I 3.5558 8.0813 121.0225 64.2684 37.2488 178.1959 182 K 3.9219 8.1293 120.2539 59.6702 31.8894 179.1594 183 G 3.5681 7.9374 104.1042 46.9037 0.0000 174.4047 184 E 4.2774 7.5761 118.1775 55.0314 29.9816 176.3590 185 G 3.8063 7.4232 106.5027 46.2043 0.0000 174.1644 186 L 3.6261 7.3997 119.5412 55.5059 41.9290 177.8300 187 Y 3.9106 8.0446 117.9141 58.5272 35.6946 169.7609 188 E 4.2665 7.6129 118.6802 56.1298 30.4186 176.5185 189 H 4.5859 8.4265 116.0644 55.7636 28.8050 174.4070 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 M 8.30 4.51 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 2 K 7.85 4.08 0.00 1.94 1.74 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.55 7.81 3 K 10.78 5.18 0.00 1.70 1.70 0.00 1.32 0.00 0.00 1.41 0.00 0.00 2.73 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.63 1.45 7.81 4 I 9.15 5.02 2.10 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.95 1.25 0.00 0.00 5 V 8.77 4.73 1.87 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 0.54 0.00 0.00 0.85 0.00 0.00 6 L 8.69 4.85 0.00 1.42 1.29 0.67 -0.12 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 7 Y 8.67 4.69 0.00 2.51 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 8 G 8.04 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 0.00 0.00 0.00 0.00 9 G 7.92 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 0.00 0.00 0.00 10 Q 8.53 3.78 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.61 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 11 F 7.35 3.93 0.00 3.18 2.79 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 12 N 7.64 5.30 0.00 2.62 2.70 0.00 0.00 7.26 7.69 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 13 P 0.00 5.02 0.00 2.33 2.30 0.00 3.35 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 14 I 8.06 3.98 1.58 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.69 0.73 0.00 0.00 15 H 8.37 5.02 0.00 3.54 3.42 0.00 5.71 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.84 3.92 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 1.24 0.00 0.00 17 A 8.17 4.13 1.40 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 0.00 0.00 0.00 18 H 8.35 4.59 0.00 3.46 3.68 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 M 8.11 4.26 0.00 2.03 2.31 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.52 0.00 20 I 7.75 3.77 2.11 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 1.45 0.86 0.96 0.00 0.00 21 V 8.06 3.58 2.36 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 0.58 0.00 0.00 1.13 0.00 0.00 22 A 8.12 4.06 1.61 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 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.41 4.26 0.00 4.15 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 24 E 8.35 3.97 0.00 2.04 1.99 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 2.62 2.49 0.00 25 V 7.75 3.55 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 1.11 0.00 0.00 0.95 0.00 0.00 26 F 8.20 3.89 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 H 7.75 3.92 0.00 3.20 3.29 0.00 5.90 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.95 3.97 0.00 2.04 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 2.27 2.32 0.00 29 L 7.84 4.03 0.00 1.37 1.33 0.53 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.46 2.67 0.00 1.92 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.95 0.00 0.00 0.00 0.00 0.00 1.98 2.12 0.00 31 P 0.00 4.44 0.00 2.43 1.97 0.00 3.13 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 32 D 8.81 4.63 0.00 2.77 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 33 E 8.15 4.82 0.00 1.85 1.50 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 2.38 2.42 0.00 34 F 8.43 4.92 0.00 3.26 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 35 Y 8.47 5.35 0.00 2.92 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 36 F 9.26 4.60 0.00 3.07 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 37 L 9.15 5.05 0.00 1.75 1.57 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 5.25 0.00 2.23 2.26 0.00 3.95 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 39 S 8.66 4.69 0.00 3.87 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 40 F 9.14 4.24 0.00 3.23 3.26 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 41 M 7.98 4.50 0.00 1.72 2.06 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 42 S 8.73 4.31 0.00 3.88 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.36 0.00 2.05 1.96 0.00 3.43 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 1.83 1.43 0.00 44 L 8.63 3.91 0.00 1.79 1.79 1.06 0.84 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 45 K 7.30 4.57 0.00 1.70 1.70 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.04 1.29 7.81 46 K 8.38 4.19 0.00 1.75 1.68 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.45 7.81 47 H 8.30 4.93 0.00 3.09 3.42 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 7.25 4.53 0.00 3.31 3.34 0.00 5.67 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 49 D 8.76 4.36 0.00 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0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.96 3.68 3.95 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 0.57 0.00 0.00 59 M 7.70 3.80 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 60 I 7.41 3.20 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.56 0.41 0.00 0.00 61 Q 7.85 3.78 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 62 M 7.76 3.89 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 63 I 7.30 3.48 1.51 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.41 0.46 0.00 0.00 64 I 7.35 3.32 1.81 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 1.44 0.13 0.93 0.00 0.00 65 D 7.76 4.28 0.00 2.71 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 8.75 4.16 0.00 2.61 2.84 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 0.00 118 Q 8.36 3.18 0.00 1.43 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.65 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 119 I 7.86 3.80 2.13 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 1.68 1.38 0.89 0.00 0.00 120 E 8.03 3.88 0.00 1.72 1.75 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 2.23 2.22 0.00 121 Y 7.83 4.27 0.00 3.09 3.09 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 0.00 122 L 8.36 4.18 0.00 2.06 2.04 0.96 0.86 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 0.00 123 K 8.31 4.24 0.00 1.82 1.94 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.63 1.71 7.81 124 E 7.92 4.27 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 125 M 7.94 4.31 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.56 0.00 126 V 7.25 4.54 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.20 0.00 0.00 127 T 8.10 4.33 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 128 F 8.75 4.74 0.00 3.13 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 9.29 4.78 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 0.96 0.00 0.00 1.16 0.00 0.00 130 V 9.00 4.89 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 0.68 0.00 0.00 0.83 0.00 0.00 131 V 8.71 5.30 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 1.14 0.00 0.00 1.03 0.00 0.00 132 N 8.70 4.61 0.00 2.90 2.83 0.00 0.00 5.77 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 0.00 133 R 8.57 4.48 0.00 1.79 1.86 0.00 3.46 0.00 0.00 3.40 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 134 D 9.77 4.57 0.00 2.92 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 0.00 135 K 7.57 4.35 0.00 1.81 1.76 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.63 7.81 136 N 8.65 4.74 0.00 2.71 2.90 0.00 0.00 6.60 7.57 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 0.00 137 S 7.57 4.57 0.00 3.77 3.67 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 0.00 138 Q 8.46 4.48 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.61 0.00 0.00 0.00 0.00 0.00 1.98 2.12 0.00 139 N 8.65 4.72 0.00 2.76 2.73 0.00 0.00 6.93 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.08 4.63 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 0.30 0.00 0.00 0.91 0.00 0.00 141 E 8.48 4.30 0.00 2.18 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 2.48 2.40 0.00 142 N 8.67 4.38 0.00 2.75 2.94 0.00 0.00 6.93 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 0.00 143 A 8.01 4.15 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 0.00 144 M 7.82 4.88 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.69 0.00 145 I 8.60 4.57 1.96 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.75 0.92 0.00 0.00 146 A 8.63 4.95 1.17 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 0.00 0.00 147 I 8.42 4.37 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.41 0.89 0.00 0.00 148 Q 8.74 4.74 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 149 I 9.00 4.60 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.70 0.92 0.00 0.00 150 P 0.00 4.24 0.00 2.08 2.06 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 151 R 8.56 3.94 0.00 1.78 1.86 0.00 3.21 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 152 V 8.17 4.24 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 0.92 0.00 0.00 1.04 0.00 0.00 153 D 8.56 4.71 0.00 2.69 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 0.00 154 I 7.28 4.41 1.77 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 1.43 0.54 0.69 0.00 0.00 155 S 8.03 4.87 0.00 4.02 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 8.62 4.18 0.00 3.92 4.10 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 0.00 157 T 7.93 3.80 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 1.20 0.00 0.00 158 M 7.86 3.95 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 159 I 7.33 3.64 1.88 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 1.68 0.83 0.89 0.00 0.00 160 R 7.77 3.59 0.00 1.81 1.79 0.00 2.93 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.29 0.00 161 Q 8.30 3.93 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 162 R 8.07 3.91 0.00 2.08 1.97 0.00 3.17 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 163 V 7.89 3.61 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 1.18 0.00 0.00 1.03 0.00 0.00 164 S 7.86 4.17 0.00 4.19 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 0.00 165 E 7.91 4.44 0.00 2.20 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 2.56 2.32 0.00 166 G 7.70 3.86 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 0.00 0.00 0.00 167 K 8.04 4.19 0.00 1.72 1.71 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.37 7.81 168 S 8.57 4.25 0.00 3.87 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 0.00 169 I 8.12 4.47 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.81 0.92 0.00 0.00 170 Q 7.64 3.93 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.83 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 171 V 8.71 3.91 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 172 L 7.81 4.12 0.00 1.85 1.70 0.91 0.88 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 0.00 173 V 7.08 4.78 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 0.77 0.00 0.00 1.04 0.00 0.00 174 P 0.00 4.46 0.00 2.12 1.94 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 175 K 8.61 3.89 0.00 1.81 1.81 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.51 7.81 176 S 7.95 4.11 0.00 4.05 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 0.00 177 V 7.70 3.60 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.86 0.00 0.00 178 E 8.41 3.95 0.00 2.18 2.13 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 2.33 2.38 0.00 179 N 8.34 4.37 0.00 2.82 2.88 0.00 0.00 6.76 7.10 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 0.00 180 Y 7.95 3.97 0.00 3.20 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 0.00 181 I 8.08 3.56 2.09 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.70 1.02 0.00 0.00 182 K 8.13 3.92 0.00 1.82 1.91 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.42 7.81 183 G 7.94 3.57 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 0.00 0.00 0.00 184 E 7.58 4.28 0.00 1.46 1.56 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 1.47 1.47 0.00 185 G 7.42 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 0.00 0.00 0.00 186 L 7.40 3.63 0.00 1.21 0.41 0.76 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 187 Y 8.04 3.91 0.00 3.17 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 E 7.61 4.27 0.00 2.13 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 0.00 2.30 2.23 0.00 189 H 8.43 4.59 0.00 3.21 3.28 0.00 5.58 0.00 0.00 0.00 0.00 6.91 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.