NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.7426 8.2676 119.2198 52.6770 41.0742 173.9940 12 P 4.6124 0.0000 0.0000 60.2528 31.6991 173.5626 13 I 4.2318 8.5979 114.3764 59.3177 40.1952 176.1318 14 Y 4.6851 8.1974 122.0924 55.7531 40.2080 176.1491 15 F 4.2688 9.2667 123.9800 61.6824 39.3106 177.5719 16 E 3.8417 8.2582 116.0307 58.8971 29.6590 178.1556 17 S 4.2143 8.0510 115.7515 60.9488 63.1212 174.8070 18 I 4.0091 7.2250 122.1489 60.7270 37.4221 175.2302 19 Q 4.4892 9.4871 123.7808 53.5809 30.7998 175.1231 20 I 3.7601 8.2183 122.0472 63.1252 37.5230 175.5164 21 G 4.0925 8.8581 113.3685 45.6164 0.0000 174.2778 22 E 4.1572 8.0686 119.7280 56.3631 30.4451 176.1578 23 K 5.1697 8.6496 124.3234 54.6795 35.5547 174.8478 24 I 4.5283 9.2122 127.7445 59.5079 39.8683 174.0224 25 E 4.7153 8.8331 128.1993 54.4481 30.5239 175.7013 26 G 3.9336 8.6382 114.9262 45.4833 0.0000 172.3954 27 L 4.3575 8.2682 123.0431 53.2841 42.7141 175.1655 28 P 4.6591 0.0000 0.0000 62.9354 31.9400 175.6948 29 R 4.7270 8.1538 116.7400 55.1472 33.2353 174.1532 30 T 4.6402 8.4817 118.9937 62.9258 69.1203 174.9237 31 V 3.9405 8.4596 127.7773 62.0496 32.2258 175.5351 32 T 4.6905 8.9008 117.7183 59.2616 70.9663 174.1774 33 E 4.0796 8.8459 123.3288 59.8460 29.4268 178.5104 34 T 3.9539 8.0268 115.1167 66.8851 68.4717 175.8952 35 D 4.3718 8.0093 119.9211 57.4782 40.9332 178.5941 36 I 3.7521 7.9314 120.0807 64.4528 37.2146 178.5927 37 W 3.2737 8.9153 119.9257 59.7171 28.7319 178.7230 38 T 3.8166 8.2239 116.0941 66.6125 67.9163 176.4407 39 F 3.9145 8.2240 122.2912 61.0746 39.4274 177.0240 40 A 3.6279 7.7194 120.4835 55.0438 17.9663 179.0986 41 Y 4.4015 8.0064 115.5375 61.3933 37.8213 178.3953 42 L 3.9428 7.8744 120.2266 58.0931 42.2115 178.3116 43 T 4.1181 7.4104 105.7296 60.2840 69.2734 174.1144 44 A 3.8672 7.6242 123.1242 53.4325 16.8303 176.8556 45 D 4.7695 7.7193 118.8386 54.4293 42.3638 176.4785 46 F 4.2905 8.4274 129.7096 55.7375 38.1300 176.1210 47 F 4.0622 8.1191 123.8284 57.2159 40.2824 173.8168 48 P 3.8400 0.0000 0.0000 65.6381 30.4632 178.0924 49 L 4.1662 7.0607 119.9230 57.4976 42.3439 177.8456 50 H 4.7190 8.2608 115.1822 56.7577 29.5983 175.8307 51 T 4.4021 7.6456 106.1770 60.7948 69.2629 173.2276 52 D 4.7671 8.2537 122.0939 52.0375 41.9150 175.9065 53 V 3.7471 8.7215 126.6688 66.2725 31.2261 177.4032 54 E 4.0773 8.2828 116.4600 59.3012 29.8204 178.6510 55 F 4.1681 8.9054 120.6011 61.2955 39.5142 176.8653 56 A 4.2703 8.4472 120.4323 55.4180 17.8854 179.5718 57 K 4.4442 7.5155 116.1634 58.7777 32.2166 178.1233 58 K 4.2024 7.6133 115.3052 56.6998 32.2308 176.6553 59 T 4.4030 7.5804 110.9271 59.7152 70.5577 175.4229 60 I 3.7476 8.0541 120.8395 62.8124 37.9918 176.1531 61 F 4.6964 8.0043 117.1430 57.6965 40.2040 176.6865 62 G 4.3948 8.5155 113.5164 45.3049 0.0000 173.7003 63 K 5.0094 7.8137 116.6177 53.1501 34.8957 173.9783 64 P 4.8084 0.0000 0.0000 62.7062 32.1356 175.2916 65 I 4.7642 7.5522 111.8320 58.6410 40.6582 174.9198 66 A 4.1216 8.4509 125.0170 51.8356 19.1921 177.5861 67 Q 3.6030 8.1180 118.6629 54.5823 30.4182 178.9065 68 G 2.8547 7.9404 111.0196 45.4823 0.0000 175.3337 *70 L 3.2415 8.1424 122.5139 54.2908 43.8130 178.8398 71 V 3.4859 7.3315 117.6298 65.7585 31.2266 177.7164 72 L 3.9194 8.0330 120.0987 58.2338 41.9680 179.1205 73 S 4.0879 7.8656 114.4964 61.8198 62.6602 176.6616 74 I 3.6775 7.8427 121.2282 64.1797 36.8187 178.0805 75 A 4.0605 7.8801 120.9370 55.2533 18.5720 179.1467 76 L 4.0151 8.2283 117.3306 57.7351 41.6242 180.6381 77 G 3.7704 7.9457 102.3491 45.4012 0.0000 175.3403 *79 V 3.9815 7.7296 122.3066 62.5627 33.4179 177.1448 80 D 4.2581 8.0875 118.6240 57.1300 40.7135 177.8233 81 Q 4.0529 8.0500 120.4137 59.0791 28.7161 178.6707 82 V 3.6010 7.3439 118.6842 65.9089 31.9126 177.8353 83 I 4.0448 7.6910 119.0784 64.5297 36.8526 178.0813 84 L 4.0715 8.2802 119.1282 57.3307 41.4809 178.8069 85 S 4.6524 7.4562 111.0884 58.2420 63.4217 174.2208 86 N 4.7251 8.0047 117.8503 52.9703 40.4499 173.6832 87 Y 5.1335 7.3560 113.0470 55.1876 42.4165 174.3036 88 D 4.6014 8.6678 121.3816 53.6436 41.0042 176.4916 89 V 4.0716 8.2735 120.1364 61.6408 31.3971 178.7041 90 S 4.2065 8.1660 117.4555 60.7438 62.9796 175.4810 91 S 4.1544 7.8028 115.0334 59.6769 63.3366 173.5463 92 V 3.9599 7.3935 121.5025 62.5210 30.1564 176.0569 93 I 4.0386 8.4612 128.1386 63.7893 37.5186 176.0298 94 A 4.6264 8.0260 121.2693 50.7827 23.2884 174.9856 95 F 4.9260 8.7954 122.2719 57.6181 39.1658 175.4094 96 F 4.0624 9.7217 129.9076 59.4198 39.5659 175.4366 97 G 3.8545 7.3568 100.4414 46.2126 0.0000 171.0999 98 I 5.0381 8.2632 120.4014 59.3417 38.5476 175.8954 99 K 4.1470 9.3367 129.9153 59.2091 32.3934 176.4179 100 D 4.7260 7.7803 116.9615 53.2191 44.7334 173.9020 101 V 4.8786 8.1560 123.3350 61.2924 34.6415 174.2947 102 R 4.3210 9.5486 127.4418 54.3738 33.1154 174.9294 103 F 4.7370 8.5440 123.5723 56.7350 38.5436 176.0225 104 L 4.2711 9.2135 124.5371 56.9113 41.6881 177.5824 105 R 4.7536 7.6865 116.7431 53.4263 33.1519 172.9067 106 P 4.3607 0.0000 0.0000 62.5026 32.7827 175.3835 107 V 4.2994 7.7726 121.1009 61.3805 33.4948 174.8926 108 F 4.9602 9.4844 127.1927 56.1330 40.5082 177.1344 109 I 3.7050 8.9123 121.6373 63.9659 36.9777 177.1209 110 G 4.0844 7.9655 106.0496 45.0440 0.0000 173.1821 111 D 4.6165 8.4339 121.1112 54.5933 42.2852 175.7121 112 T 5.0131 8.5277 118.1605 62.0056 70.8018 173.2542 113 I 4.8302 8.1431 120.4799 59.5962 40.3833 174.7244 114 A 4.7966 8.5810 124.3274 50.2949 22.5116 174.9423 115 A 5.3725 8.6722 123.1369 50.1986 22.9078 175.2212 116 S 5.2487 8.8827 113.0351 56.6806 67.0612 172.8052 117 A 5.3181 9.0762 123.0595 50.2606 22.4500 174.5916 118 E 5.0866 8.7913 121.2917 54.0974 33.5633 174.8966 119 V 3.7604 8.9485 127.6341 63.1555 32.0266 176.3886 120 V 4.4943 7.9935 119.6751 61.1734 33.7727 175.2384 121 E 4.7208 7.5249 119.7551 55.1198 32.9828 173.7681 122 K 5.1739 8.3640 122.9495 55.0447 36.4245 175.4174 123 Q 4.6729 9.2040 124.3064 54.5210 32.8953 173.4097 124 D 4.6747 8.8080 124.6506 54.3356 41.9175 174.5733 125 F 4.6420 8.6547 123.9376 59.2197 41.6882 174.2553 126 D 4.5221 7.9280 117.4742 52.2837 41.7681 175.0814 127 E 4.2071 8.7291 115.9060 58.3054 29.8209 177.2520 128 K 4.5141 8.2172 118.3111 56.1357 33.7927 175.0979 129 S 4.8885 7.6075 111.5605 57.7698 66.7493 174.1886 130 G 3.4121 8.0043 106.4510 44.3988 0.0000 171.6632 131 V 4.6056 8.0405 113.7874 59.4478 33.8794 175.2707 132 V 4.7551 8.6334 125.0522 61.4343 34.2033 174.2187 133 T 4.9502 8.4006 124.0909 62.0303 70.9994 173.0155 134 Y 4.8250 9.2136 124.2509 55.8961 41.7581 174.4562 135 K 4.8059 8.6580 123.8797 54.8655 34.3426 174.5583 136 L 5.1861 9.9275 130.6713 53.7590 44.3598 174.8865 137 E 5.1396 8.9905 124.5714 54.5862 33.6583 174.5764 138 V 4.9017 9.1784 124.7770 60.9274 34.4205 174.5013 139 K 5.2808 8.8395 126.4291 55.3562 36.7501 173.9605 140 N 5.4615 8.5719 117.7685 50.6405 39.9696 175.4270 141 Q 4.0815 8.1331 116.6308 58.7414 28.3627 177.4897 142 R 4.5144 8.3056 115.4449 55.7878 29.9023 178.5272 143 G 4.0030 8.1322 107.3356 46.9286 0.0000 175.0374 144 E 3.9723 7.7313 120.0799 56.2204 29.9591 176.0791 145 L 4.6011 8.3524 124.8472 54.5832 42.2082 176.3390 146 V 4.2212 8.7384 121.1627 63.1144 33.3358 176.2091 147 L 5.1362 7.6133 120.2656 53.9227 45.5436 174.6036 148 T 5.1950 8.8974 118.2948 60.7923 70.8500 172.2494 149 A 4.7486 9.0901 127.6609 51.2072 23.7888 174.7279 150 L 5.2774 9.7379 122.4137 53.5255 44.8407 175.0454 151 Y 5.6386 9.0464 123.8633 55.4834 42.1862 174.2651 152 S 5.3113 10.0820 114.1776 56.8087 66.9735 172.6213 153 A 5.4283 9.2012 122.9227 50.2260 22.8514 174.8387 154 L 4.5622 9.1653 123.7078 53.7123 43.5855 175.3586 155 I 4.9745 8.1397 120.3145 58.6083 40.7062 175.2100 156 R 4.4666 9.2958 125.9086 56.8511 31.1088 175.6536 157 K 5.0834 8.7469 124.6743 55.1894 33.8321 176.9778 158 T 2.8204 8.2385 119.0120 62.7391 68.9614 172.8685 159 P 4.3603 0.0000 0.0000 63.1727 31.1383 176.0885 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 11 N 8.27 4.74 0.00 2.78 2.88 0.00 0.00 6.77 6.82 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 12 P 0.00 4.61 0.00 1.78 2.00 0.00 3.45 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 13 I 8.60 4.23 1.58 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.46 0.20 0.00 0.00 14 Y 8.20 4.69 0.00 3.13 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 15 F 9.27 4.27 0.00 3.05 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 16 E 8.26 3.84 0.00 2.09 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 0.00 2.35 2.29 0.00 17 S 8.05 4.21 0.00 4.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.23 4.01 1.75 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 1.47 0.71 0.77 0.00 0.00 19 Q 9.49 4.49 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.22 0.00 20 I 8.22 3.76 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.40 0.87 0.00 0.00 21 G 8.86 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 0.00 0.00 0.00 22 E 8.07 4.16 0.00 1.95 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 2.32 2.52 0.00 23 K 8.65 5.17 0.00 1.73 1.65 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.65 7.81 24 I 9.21 4.53 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.61 0.94 0.00 0.00 25 E 8.83 4.72 0.00 1.95 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 2.21 2.36 0.00 26 G 8.64 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 0.00 0.00 0.00 27 L 8.27 4.36 0.00 1.61 1.58 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.66 0.00 2.08 1.97 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 29 R 8.15 4.73 0.00 1.79 1.96 0.00 2.76 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 30 T 8.48 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 1.32 0.00 0.00 31 V 8.46 3.94 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 0.74 0.00 0.00 0.89 0.00 0.00 32 T 8.90 4.69 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 1.30 0.00 0.00 33 E 8.85 4.08 0.00 2.05 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 0.00 1.99 2.11 0.00 34 T 8.03 3.95 4.27 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 1.25 0.00 0.00 35 D 8.01 4.37 0.00 2.98 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 36 I 7.93 3.75 2.30 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 1.89 0.98 0.77 0.00 0.00 37 W 8.92 3.27 0.00 3.35 2.62 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 38 T 8.22 3.82 4.44 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 1.29 0.00 0.00 39 F 8.22 3.91 0.00 3.15 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 40 A 7.72 3.63 0.17 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 41 Y 8.01 4.40 0.00 3.11 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.87 3.94 0.00 1.63 1.66 0.88 0.85 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 43 T 7.41 4.12 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 0.37 0.00 0.00 44 A 7.62 3.87 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 D 7.72 4.77 0.00 2.65 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 46 F 8.43 4.29 0.00 2.97 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 47 F 8.12 4.06 0.00 3.26 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 48 P 0.00 3.84 0.00 0.49 1.62 0.00 2.31 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.79 0.00 49 L 7.06 4.17 0.00 1.89 1.70 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.26 4.72 0.00 3.04 3.09 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.65 4.40 4.16 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 -0.35 0.00 0.00 52 D 8.25 4.77 0.00 2.62 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 53 V 8.72 3.75 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 1.08 0.00 0.00 1.05 0.00 0.00 54 E 8.28 4.08 0.00 2.14 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 2.36 2.46 0.00 55 F 8.91 4.17 0.00 3.07 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 56 A 8.45 4.27 1.58 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 0.00 0.00 57 K 7.52 4.44 0.00 1.97 1.91 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.62 7.81 58 K 7.61 4.20 0.00 1.50 1.69 0.00 1.52 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.29 7.81 59 T 7.58 4.40 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 1.32 0.00 0.00 60 I 8.05 3.75 1.67 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.66 0.06 0.00 0.00 61 F 8.00 4.70 0.00 3.27 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.52 4.39 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 0.00 63 K 7.81 5.01 0.00 1.92 1.87 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.17 7.81 64 P 0.00 4.81 0.00 2.33 2.20 0.00 3.84 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 2.14 2.11 0.00 65 I 7.55 4.76 1.47 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.45 0.20 0.00 0.00 66 A 8.45 4.12 1.07 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 0.00 0.00 67 Q 8.12 3.60 0.00 1.46 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.15 0.00 0.00 0.00 0.00 0.00 2.23 1.51 0.00 68 G 7.94 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 0.00 0.00 0.00 *70 L 8.14 3.24 0.00 0.47 1.35 0.73 0.76 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 71 V 7.33 3.49 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 0.91 0.00 0.00 0.82 0.00 0.00 72 L 8.03 3.92 0.00 1.97 1.66 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 73 S 7.87 4.09 0.00 3.99 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 74 I 7.84 3.68 1.80 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 1.42 0.56 0.88 0.00 0.00 75 A 7.88 4.06 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 76 L 8.23 4.02 0.00 1.56 1.48 0.85 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.95 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 V 7.73 3.98 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 0.93 0.00 0.00 0.98 0.00 0.00 80 D 8.09 4.26 0.00 2.82 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 81 Q 8.05 4.05 0.00 2.34 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 82 V 7.34 3.60 2.25 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 0.90 0.00 0.00 0.96 0.00 0.00 83 I 7.69 4.04 2.02 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 1.75 0.62 1.02 0.00 0.00 84 L 8.28 4.07 0.00 1.84 1.74 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.46 4.65 0.00 3.95 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 86 N 8.00 4.73 0.00 2.38 1.99 0.00 0.00 6.65 7.20 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 87 Y 7.36 5.13 0.00 2.90 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 88 D 8.67 4.60 0.00 2.73 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 89 V 8.27 4.07 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 0.77 0.00 0.00 0.93 0.00 0.00 90 S 8.17 4.21 0.00 3.99 4.04 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 0.00 0.00 0.00 91 S 7.80 4.15 0.00 3.82 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 92 V 7.39 3.96 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 0.73 0.00 0.00 0.92 0.00 0.00 93 I 8.46 4.04 2.05 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 1.30 0.86 0.94 0.00 0.00 94 A 8.03 4.63 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 95 F 8.80 4.93 0.00 3.02 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 96 F 9.72 4.06 0.00 3.15 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 97 G 7.36 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 0.00 0.00 0.00 98 I 8.26 5.04 1.86 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 1.33 0.53 1.05 0.00 0.00 99 K 9.34 4.15 0.00 1.76 1.93 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.47 7.81 100 D 7.78 4.73 0.00 2.76 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 0.00 101 V 8.16 4.88 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 0.23 0.00 0.00 0.88 0.00 0.00 102 R 9.55 4.32 0.00 1.49 1.71 0.00 3.13 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 103 F 8.54 4.74 0.00 2.95 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 0.00 104 L 9.21 4.27 0.00 1.68 1.75 0.99 0.84 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 0.00 105 R 7.69 4.75 0.00 1.74 1.79 0.00 3.35 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 106 P 0.00 4.36 0.00 1.36 1.85 0.00 3.88 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.29 0.00 107 V 7.77 4.30 1.92 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 1.04 0.00 0.00 0.86 0.00 0.00 108 F 9.48 4.96 0.00 3.29 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 0.00 109 I 8.91 3.71 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.59 0.97 0.00 0.00 110 G 7.97 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 0.00 0.00 0.00 111 D 8.43 4.62 0.00 2.77 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 8.53 5.01 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 1.23 0.00 0.00 113 I 8.14 4.83 1.86 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 1.15 0.86 0.90 0.00 0.00 114 A 8.58 4.80 1.21 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 0.00 0.00 0.00 115 A 8.67 5.37 1.22 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 0.00 0.00 0.00 116 S 8.88 5.25 0.00 3.90 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 0.00 117 A 9.08 5.32 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 0.00 118 E 8.79 5.09 0.00 2.05 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 0.00 2.16 2.22 0.00 119 V 8.95 3.76 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 0.55 0.00 0.00 0.78 0.00 0.00 120 V 7.99 4.49 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 0.73 0.00 0.00 0.91 0.00 0.00 121 E 7.52 4.72 0.00 1.94 1.63 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 2.25 2.29 0.00 122 K 8.36 5.17 0.00 1.52 1.51 0.00 1.59 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.24 7.81 123 Q 9.20 4.67 0.00 2.11 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 124 D 8.81 4.67 0.00 2.77 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 0.00 125 F 8.65 4.64 0.00 2.69 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 0.00 126 D 7.93 4.52 0.00 2.77 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 0.00 127 E 8.73 4.21 0.00 2.09 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 2.28 2.27 0.00 128 K 8.22 4.51 0.00 2.02 1.88 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.35 7.81 129 S 7.61 4.89 0.00 3.96 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 0.00 130 G 8.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.04 4.61 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 -0.48 0.00 0.00 0.73 0.00 0.00 132 V 8.63 4.76 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 0.36 0.00 0.00 1.12 0.00 0.00 133 T 8.40 4.95 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 134 Y 9.21 4.83 0.00 1.43 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 0.00 135 K 8.66 4.81 0.00 1.82 1.67 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.37 7.81 136 L 9.93 5.19 0.00 2.20 1.78 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.99 5.14 0.00 1.97 1.79 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 2.22 2.24 0.00 138 V 9.18 4.90 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 1.09 0.00 0.00 0.93 0.00 0.00 139 K 8.84 5.28 0.00 2.04 1.90 0.00 1.33 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.35 7.81 140 N 8.57 5.46 0.00 2.88 3.01 0.00 0.00 7.16 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 8.13 4.08 0.00 2.16 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.48 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 142 R 8.31 4.51 0.00 2.04 2.18 0.00 2.93 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 143 G 8.13 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 0.00 144 E 7.73 3.97 0.00 2.18 1.92 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 2.36 2.45 0.00 145 L 8.35 4.60 0.00 1.60 1.61 0.97 0.96 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 0.00 146 V 8.74 4.22 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 0.65 0.00 0.00 1.00 0.00 0.00 147 L 7.61 5.14 0.00 1.73 1.45 1.09 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 148 T 8.90 5.19 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 1.16 0.00 0.00 149 A 9.09 4.75 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 9.74 5.28 0.00 1.65 1.54 0.98 0.88 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 0.00 151 Y 9.05 5.64 0.00 3.56 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 0.00 152 S 10.08 5.31 0.00 3.94 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 0.00 153 A 9.20 5.43 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 0.00 154 L 9.17 4.56 0.00 1.74 1.59 0.60 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.14 4.97 1.91 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.78 0.98 0.00 0.00 156 R 9.30 4.47 0.00 2.05 1.95 0.00 3.21 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.94 0.00 157 K 8.75 5.08 0.00 1.81 1.80 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.38 7.81 158 T 8.24 2.82 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 0.75 0.00 0.00 159 P 0.00 4.36 0.00 2.12 2.00 0.00 3.12 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.86 0.00 * Residues marked with a * may have inaccurate shift predictions.