NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5246 8.1633 120.6191 55.4899 34.2319 173.6626 2 I 4.7708 8.3202 125.9081 59.4582 39.7104 173.1941 3 S 5.3668 10.0286 123.5911 56.7816 67.6943 172.5531 4 L 5.3605 8.7265 122.1999 53.0833 44.5094 175.3164 5 I 5.2516 8.7190 122.6068 59.3444 40.5573 174.2630 6 A 5.0439 9.2720 128.9879 50.4314 23.2293 174.4538 7 A 4.9871 8.7339 120.8825 50.2052 21.2443 175.7740 8 L 5.0103 9.0121 122.8465 53.3359 45.2495 176.8956 9 A 4.7830 8.9402 125.4418 50.4713 21.7038 176.7647 10 V 3.7608 8.2589 110.2113 63.5081 31.9512 177.0104 11 D 4.6120 9.0996 121.4899 54.8488 37.9670 174.3831 12 R 4.0266 8.0417 115.5495 57.1251 28.3285 175.9184 13 V 4.3237 7.4690 117.6067 62.9128 32.5102 175.0066 14 I 5.1027 8.2037 119.7451 58.5415 40.8849 175.2941 15 G 3.6993 8.8271 109.6681 47.0541 0.0000 172.3823 16 M 4.6173 8.6830 119.6759 56.5006 34.2242 175.4279 17 E 4.6446 7.8047 115.1518 57.6093 34.2755 174.9637 18 N 4.5234 7.8521 114.5763 52.2705 39.4402 175.0055 19 A 4.0080 8.1558 123.3069 52.4491 19.0776 177.7187 20 M 3.7863 7.8856 121.0100 54.2890 32.9881 175.9167 21 P 4.5099 0.0000 0.0000 60.6102 29.9285 174.9008 22 W 5.0359 6.8960 116.3357 56.2820 31.2167 174.7650 23 N 4.9583 9.3860 117.4808 52.1644 39.9481 172.8324 24 L 5.0453 8.0249 126.1329 51.0387 42.5806 175.5159 25 P 4.2759 0.0000 0.0000 65.5400 31.4168 178.4687 26 A 4.0652 8.2393 120.7016 54.8832 18.1293 179.5524 27 S 4.3375 7.5524 111.4548 61.5109 62.4957 176.1521 28 L 4.0664 8.0134 121.5753 57.6899 41.2652 179.3711 29 A 4.0523 8.2118 120.9915 54.7417 18.2850 179.4881 30 W 3.9859 8.0668 126.7969 60.4385 30.5951 177.9336 31 F 3.8678 8.6268 120.8851 61.0731 38.8262 177.0041 32 K 3.7664 8.5006 119.4882 59.5471 31.8442 178.5500 33 R 3.7277 7.9441 117.9363 59.4123 30.0074 177.4687 34 N 4.1696 7.4087 113.7057 53.9344 39.1138 175.6140 35 T 4.0709 6.8155 109.5552 60.8819 70.6199 174.2054 36 L 3.9147 7.3388 124.4184 56.6802 42.3587 176.1886 37 D 4.5565 8.9157 123.6487 54.8441 38.6853 173.4754 38 K 4.7262 7.5035 117.3456 53.8063 36.7757 173.8336 39 P 4.6157 0.0000 0.0000 62.5145 32.9494 175.7956 40 V 4.7952 8.6412 116.2344 59.6087 35.2329 174.5119 41 I 4.9072 8.6215 126.3996 59.7035 39.5798 174.6905 42 M 5.1330 8.7501 123.1331 53.7577 35.6611 174.7710 43 G 4.3627 8.6763 107.7386 45.1624 0.0000 174.8413 44 R 4.2237 8.6511 118.4585 59.8048 29.9697 178.1243 45 H 4.2584 8.1349 115.5886 59.1003 28.7682 177.6928 46 T 3.8971 7.9703 117.1125 66.3656 68.2821 176.1570 47 W 4.3393 8.1565 129.7399 60.7313 30.4793 177.8714 48 E 3.6598 8.0653 117.3020 59.4691 28.9559 179.2710 49 S 4.1968 7.9233 114.2733 61.3315 62.8751 176.6232 50 I 3.7815 7.5604 122.1996 63.5333 37.0740 177.7718 51 G 3.6007 8.7450 105.6039 44.7750 0.0000 172.7570 52 R 4.1928 6.4116 112.9828 54.5641 31.3860 172.4848 53 P 4.7760 0.0000 0.0000 62.4940 31.8804 176.5296 54 L 4.2696 9.3452 124.1597 53.5574 42.2000 175.1456 55 P 4.3776 0.0000 0.0000 63.9195 32.0141 176.7198 56 G 3.9228 8.9852 107.9077 45.8293 0.0000 172.7631 57 R 4.9477 7.2675 116.5294 53.8822 34.4663 174.8388 58 K 4.2203 8.2493 123.0215 55.8091 33.5015 175.2211 59 N 4.9271 8.6219 125.6617 52.1741 40.4177 174.0324 60 I 4.6055 8.5158 125.0712 59.3787 40.4378 174.5479 61 I 4.5423 8.2005 128.4872 59.3658 39.4585 174.4636 62 L 4.9409 8.6182 130.5851 54.2561 42.7444 175.1378 63 S 4.9403 8.9781 120.1988 57.5892 65.8141 175.4811 64 S 4.3536 8.8371 118.7066 60.1413 63.5249 174.5659 65 Q 4.2695 7.6168 122.3557 54.8315 29.5204 174.1217 *66 P 4.4656 0.0000 0.0000 61.1816 31.4646 175.9482 67 G 2.0000 7.7667 112.5040 45.1217 0.0000 174.3811 68 T 3.6740 6.3196 117.9652 62.8684 68.9894 171.5563 69 D 4.9379 8.1684 122.2720 53.2643 42.3891 176.3427 70 D 4.7297 8.6630 124.0246 54.5940 40.1629 177.3613 71 R 4.1763 9.6412 119.2371 57.6618 30.3402 175.8367 72 V 4.4170 7.2652 109.6134 59.7015 36.2350 174.5427 73 T 4.4333 8.2243 118.2494 61.9252 70.2564 174.1050 74 W 5.0743 8.7850 126.6002 55.4242 30.5308 176.1236 75 V 4.6793 9.1561 120.3316 60.2689 34.9983 177.1881 76 K 4.7218 9.1768 122.1591 53.8692 33.1927 177.4434 77 S 4.7716 7.4911 111.8892 56.6505 67.3951 174.9259 78 V 3.5747 8.2266 121.1625 66.1605 31.2209 177.6501 79 D 4.3706 8.0207 118.0606 57.6254 40.7882 178.4972 80 E 4.0006 8.3397 118.6789 59.2419 29.1705 179.3681 81 A 4.0224 7.8696 120.0074 55.2036 18.8296 179.3449 82 I 3.8603 7.9775 118.0434 64.6386 37.2647 178.4213 83 A 4.0012 8.1367 121.1921 55.2756 18.0026 179.5338 84 A 4.0416 7.9584 117.7393 55.1172 18.4457 179.2007 85 C 4.2119 7.9323 114.5876 62.3894 28.7066 175.4982 86 G 3.7241 8.1643 108.3231 45.0841 0.0000 173.2059 87 D 4.7334 8.5039 118.9600 52.3769 40.8938 176.5132 88 V 4.5857 7.6588 117.2190 58.2317 35.2500 174.5711 89 P 4.4007 0.0000 0.0000 65.2867 31.4569 176.9700 90 E 4.9442 7.7915 117.3618 54.7851 32.7769 174.3519 91 I 4.4325 8.8749 127.8724 59.9441 39.7592 174.2879 92 M 4.7711 8.7382 126.7916 53.6962 34.3050 175.0314 93 V 4.4456 8.9842 124.7118 61.1494 33.2579 175.6031 94 I 4.5367 8.6371 121.4469 60.7792 38.5436 174.9507 95 G 2.8477 7.9715 109.0207 44.4971 0.0000 172.8256 96 G 4.2340 8.2093 105.1477 43.7214 0.0000 173.5175 97 G 4.1471 8.8556 106.2135 48.6635 0.0000 175.7833 98 R 4.0223 8.0025 120.5031 58.4979 29.9876 179.2864 99 V 3.7268 7.6929 117.6354 66.3018 31.2897 177.5300 100 Y 4.4838 7.9529 116.4735 61.2806 37.4772 178.4268 101 E 4.0844 8.1493 118.5541 59.6622 29.6444 179.2342 102 Q 4.0716 8.0846 116.8724 58.1690 29.0902 177.7340 103 F 4.5914 8.2085 117.5784 58.0340 40.0285 177.5195 104 L 4.1405 8.2694 120.8728 58.1477 41.5266 177.2698 105 P 4.4015 0.0000 0.0000 65.0664 31.4132 177.8178 106 K 4.3329 7.9532 114.5010 55.9110 32.8622 177.0138 107 A 4.6036 7.4712 122.7068 52.2552 19.1952 176.8853 108 Q 4.6476 9.2166 121.6058 56.2024 32.0020 175.0639 109 K 5.4170 8.2170 118.6565 54.8441 36.4022 174.6037 110 L 5.1924 8.9362 124.9923 53.1062 45.4006 174.9531 111 Y 5.1177 9.3844 121.9162 56.3923 40.3158 174.7590 112 L 5.2583 9.5464 124.5926 53.0929 46.0580 175.9495 113 T 4.7911 8.7126 119.4527 62.2906 70.8807 172.9998 114 H 5.0268 9.2108 125.3619 54.6189 30.3431 174.5061 115 I 4.6533 8.4764 124.8840 59.0229 39.1505 176.7240 116 D 4.8558 8.3890 128.1679 53.2889 38.4756 175.7248 117 A 4.7534 7.5992 120.8637 50.1493 23.3665 176.1249 118 E 4.6825 9.0094 122.2141 54.9652 29.9526 175.7479 119 V 4.4189 8.1513 123.3513 60.7431 34.2410 174.4980 120 E 4.3961 8.7211 126.1923 55.4868 30.2430 175.9950 121 G 4.1931 8.1506 110.9322 44.7821 0.0000 172.5497 122 D 4.5511 8.6249 119.6585 56.9308 41.8094 177.7924 123 T 4.4547 7.6034 115.1816 63.5855 69.8733 173.7125 124 H 5.4706 8.6278 120.6751 53.6871 32.9541 173.0572 125 F 4.5314 9.3580 124.5427 57.2568 39.8281 173.4601 126 P 4.2744 0.0000 0.0000 62.8216 31.4108 175.3544 127 D 4.4984 8.5821 120.0215 54.2535 41.7259 174.9927 128 Y 4.8625 8.1369 123.9542 55.2427 40.3659 175.2917 129 E 4.2017 9.0934 126.7063 55.0626 28.9087 175.2100 *130 P 4.8028 0.0000 0.0000 62.5468 32.6185 174.6962 *131 D 4.8894 8.4836 117.2191 53.3894 40.8544 176.0568 132 D 5.0132 8.9471 117.8997 54.8022 42.7186 175.7850 133 W 5.6272 7.9957 117.9827 55.0329 33.4049 173.7269 134 E 4.6507 9.5725 126.0173 54.5078 31.0626 174.6371 135 S 4.7498 8.8785 122.6522 58.4784 62.4199 173.5119 136 V 4.3284 8.7606 127.3053 63.6306 32.9211 175.4345 137 F 5.0136 8.0158 121.1564 57.3716 42.8897 172.8362 138 S 4.8622 7.4360 118.7030 57.1602 65.5987 173.0878 139 E 4.3196 8.9348 128.3851 54.8452 32.6823 173.6286 140 F 4.6899 8.6519 129.5613 57.7261 41.0175 174.3921 141 H 4.3288 6.9727 120.9532 53.7928 32.6834 172.9445 142 D 4.7868 8.5173 121.4439 52.5904 42.0192 176.0535 143 A 4.5206 8.3319 122.1081 52.7057 19.4190 176.6923 144 D 4.5180 8.6404 117.0612 52.4165 42.1025 175.7699 145 A 3.9115 8.6899 120.7723 54.8677 18.4154 178.4130 146 Q 4.4455 7.7781 112.8308 55.8446 30.7277 175.4160 147 N 5.1372 8.5222 116.6444 50.9573 40.1850 175.7271 148 S 4.1628 8.8246 119.4040 61.1734 63.1897 173.6163 149 H 5.0420 7.6587 115.2950 53.7555 33.2978 173.2994 150 S 4.4296 8.6021 115.5207 58.9261 64.0538 173.2341 151 Y 4.9869 7.4308 120.1999 55.6533 41.9725 173.3138 152 C 4.7448 8.8536 121.0023 57.6569 34.9356 172.8476 153 F 4.9627 8.2838 125.2886 56.9617 40.3023 174.4762 154 E 5.3057 9.4899 122.9513 54.8217 33.6416 173.7630 155 I 5.1203 8.9540 126.1809 59.5411 40.7400 174.4766 156 L 5.3331 8.9232 125.8519 53.0198 45.7559 175.2227 157 E 5.2799 9.2249 122.1713 54.4138 32.5973 175.3266 158 R 3.6341 8.7051 125.2390 55.8532 30.6744 176.4694 159 R 4.2233 7.9890 122.4445 56.2284 29.2258 175.9051 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 8.16 4.52 0.00 2.31 2.03 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.66 0.00 2 I 8.32 4.77 2.18 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.76 1.09 0.00 0.00 3 S 10.03 5.37 0.00 3.85 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 4 L 8.73 5.36 0.00 1.77 1.67 1.14 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.72 5.25 1.72 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.24 0.93 0.00 0.00 6 A 9.27 5.04 0.75 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 0.00 0.00 7 A 8.73 4.99 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 9.01 5.01 0.00 1.54 1.60 0.81 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.94 4.78 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 10 V 8.26 3.76 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 0.99 0.00 0.00 0.98 0.00 0.00 11 D 9.10 4.61 0.00 2.93 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 12 R 8.04 4.03 0.00 2.27 2.25 0.00 3.32 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 13 V 7.47 4.32 2.14 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 1.02 0.00 0.00 0.96 0.00 0.00 14 I 8.20 5.10 2.11 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.00 1.27 0.00 0.00 15 G 8.83 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.68 4.62 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 17 E 7.80 4.64 0.00 1.84 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.35 0.00 18 N 7.85 4.52 0.00 2.69 2.66 0.00 0.00 6.85 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 19 A 8.16 4.01 1.13 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 0.00 0.00 20 M 7.89 3.79 0.00 0.51 0.63 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 2.17 2.13 0.00 21 P 0.00 4.51 0.00 2.13 1.99 0.00 3.20 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.82 0.00 22 W 6.90 5.04 0.00 3.30 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 23 N 9.39 4.96 0.00 2.81 2.74 0.00 0.00 7.31 7.11 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 24 L 8.02 5.05 0.00 1.40 1.04 -0.03 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.28 0.00 2.25 2.31 0.00 3.91 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 26 A 8.24 4.07 1.35 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 0.00 0.00 27 S 7.55 4.34 0.00 3.55 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 28 L 8.01 4.07 0.00 1.93 1.75 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.21 4.05 1.46 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 0.00 0.00 30 W 8.07 3.99 0.00 2.84 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 31 F 8.63 3.87 0.00 3.25 3.23 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 32 K 8.50 3.77 0.00 1.92 1.94 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.42 7.81 33 R 7.94 3.73 0.00 1.75 1.95 0.00 3.12 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 34 N 7.41 4.17 0.00 1.98 1.84 0.00 0.00 6.88 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 35 T 6.82 4.07 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 0.43 0.00 0.00 36 L 7.34 3.91 0.00 1.70 1.49 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.92 4.56 0.00 2.79 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 38 K 7.50 4.73 0.00 1.65 1.53 0.00 1.54 0.00 0.00 1.50 0.00 0.00 2.75 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.24 1.42 7.81 39 P 0.00 4.62 0.00 2.00 1.89 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 2.06 2.06 0.00 40 V 8.64 4.80 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 0.60 0.00 0.00 0.97 0.00 0.00 41 I 8.62 4.91 1.49 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.59 0.77 0.00 0.00 42 M 8.75 5.13 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 43 G 8.68 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 0.00 0.00 0.00 0.00 44 R 8.65 4.22 0.00 2.06 1.94 0.00 3.47 0.00 0.00 3.73 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 45 H 8.13 4.26 0.00 3.33 3.45 0.00 5.87 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 46 T 7.97 3.90 4.42 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 0.00 0.00 0.00 1.24 0.00 0.00 47 W 8.16 4.34 0.00 3.31 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 48 E 8.07 3.66 0.00 2.10 1.95 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 2.70 2.54 0.00 49 S 7.92 4.20 0.00 3.95 3.87 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 50 I 7.56 3.78 1.76 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 1.38 0.62 0.91 0.00 0.00 51 G 8.75 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 0.00 0.00 0.00 52 R 6.41 4.19 0.00 1.85 1.78 0.00 3.04 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.46 0.00 53 P 0.00 4.78 0.00 2.15 2.13 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 2.16 2.43 0.00 54 L 9.35 4.27 0.00 1.84 1.66 1.15 0.86 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 55 P 0.00 4.38 0.00 2.17 2.06 0.00 3.87 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 56 G 8.99 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 57 R 7.27 4.95 0.00 1.71 1.76 0.00 3.06 0.00 0.00 2.95 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.45 0.00 58 K 8.25 4.22 0.00 1.79 1.63 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.35 7.81 59 N 8.62 4.93 0.00 2.54 2.57 0.00 0.00 6.88 7.25 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 60 I 8.52 4.61 1.85 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 1.14 0.74 0.83 0.00 0.00 61 I 8.20 4.54 0.72 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.63 0.00 0.00 62 L 8.62 4.94 0.00 1.77 1.61 1.14 0.70 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 63 S 8.98 4.94 0.00 4.03 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 64 S 8.84 4.35 0.00 4.03 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 65 Q 7.62 4.27 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 *66 P 0.00 4.47 0.00 2.09 1.82 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.58 0.00 67 G 7.77 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 0.00 0.00 0.00 0.00 0.00 0.00 68 T 6.32 3.67 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 69 D 8.17 4.94 0.00 3.05 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 70 D 8.66 4.73 0.00 3.13 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 79 D 8.02 4.37 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.34 4.00 0.00 2.24 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 2.35 2.35 0.00 81 A 7.87 4.02 1.52 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 0.00 0.00 82 I 7.98 3.86 2.07 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 1.65 0.98 0.97 0.00 0.00 83 A 8.14 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 7.96 4.04 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 85 C 7.93 4.21 0.00 3.17 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 86 G 8.16 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 87 D 8.50 4.73 0.00 2.62 2.58 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 0.00 0.00 0.00 0.00 88 V 7.66 4.59 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 0.82 0.00 0.00 0.95 0.00 0.00 89 P 0.00 4.40 0.00 2.02 2.10 0.00 3.63 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 2.00 2.05 0.00 90 E 7.79 4.94 0.00 1.92 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.38 0.00 91 I 8.87 4.43 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.62 0.83 0.00 0.00 92 M 8.74 4.77 0.00 1.72 1.79 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 93 V 8.98 4.45 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.30 0.00 0.00 94 I 8.64 4.54 2.18 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 1.33 0.84 1.00 0.00 0.00 95 G 7.97 2.85 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 1.34 1.16 0.52 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.71 4.79 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 0.99 0.00 0.00 114 H 9.21 5.03 0.00 2.99 3.20 0.00 5.57 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.48 4.65 1.51 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.21 0.48 0.00 0.00 116 D 8.39 4.86 0.00 2.63 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 7.60 4.75 1.23 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 0.00 0.00 118 E 9.01 4.68 0.00 2.01 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 2.30 2.32 0.00 119 V 8.15 4.42 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 0.76 0.00 0.00 0.97 0.00 0.00 120 E 8.72 4.40 0.00 1.99 1.88 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 0.00 129 E 9.09 4.20 0.00 2.29 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 2.34 1.86 0.00 *130 P 0.00 4.80 0.00 1.96 2.13 0.00 3.59 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.16 0.00 *131 D 8.48 4.89 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.95 5.01 0.00 2.96 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.00 5.63 0.00 3.27 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 0.00 134 E 9.57 4.65 0.00 2.05 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 2.28 2.28 0.00 135 S 8.88 4.75 0.00 4.11 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 0.00 136 V 8.76 4.33 2.15 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 0.87 0.00 0.00 0.99 0.00 0.00 137 F 8.02 5.01 0.00 3.20 2.91 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 0.00 0.00 0.00 138 S 7.44 4.86 0.00 3.79 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 0.00 139 E 8.93 4.32 0.00 1.50 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 0.00 2.06 2.20 0.00 140 F 8.65 4.69 0.00 2.92 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 0.00 141 H 6.97 4.33 0.00 1.40 2.19 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.52 4.79 0.00 2.50 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 0.00 143 A 8.33 4.52 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 0.00 144 D 8.64 4.52 0.00 2.89 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.69 3.91 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 0.00 146 Q 7.78 4.45 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 147 N 8.52 5.14 0.00 2.88 2.66 0.00 0.00 6.59 8.42 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 0.00 148 S 8.82 4.16 0.00 3.95 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 0.00 149 H 7.66 5.04 0.00 2.93 3.21 0.00 5.89 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 0.00 150 S 8.60 4.43 0.00 3.90 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 0.00 151 Y 7.43 4.99 0.00 2.56 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 0.00 152 C 8.85 4.74 0.00 2.96 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 0.00 153 F 8.28 4.96 0.00 2.74 1.78 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 0.00 154 E 9.49 5.31 0.00 2.05 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 2.26 2.53 0.00 155 I 8.95 5.12 1.97 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 1.19 0.98 0.64 0.00 0.00 156 L 8.92 5.33 0.00 1.50 1.73 0.72 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 157 E 9.22 5.28 0.00 1.94 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 2.26 2.26 0.00 158 R 8.71 3.63 0.00 0.67 1.48 0.00 3.10 0.00 0.00 3.02 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.83 0.00 159 R 7.99 4.22 0.00 2.06 1.82 0.00 3.26 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.42 0.00 * Residues marked with a * may have inaccurate shift predictions.