NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4978 8.1933 115.4157 57.9048 64.6895 174.6487 3 R 3.5667 8.8811 121.2199 58.8773 29.8174 177.5660 4 A 4.4017 8.5227 120.3965 55.6751 18.7191 179.2226 5 K 4.1080 7.8038 116.4525 59.4203 32.1393 179.2679 6 K 3.9223 7.8028 118.9854 59.2929 32.0386 179.3250 7 W 4.2638 8.4740 119.5633 59.8103 28.9024 178.7826 8 V 3.8548 8.6182 118.7024 66.1627 31.0137 177.9110 9 Q 4.0377 8.2685 119.4042 59.2149 28.5223 177.5788 10 Y 4.2988 8.3955 120.7871 60.6332 38.8827 177.6078 11 F 4.0493 8.9951 121.8837 61.5627 39.4817 177.1857 12 L 3.6015 8.3710 119.0602 57.4162 41.2391 179.6194 13 S 4.0157 8.0960 114.2737 60.9872 62.7137 175.9607 14 H 4.2642 7.3495 118.9493 57.9315 29.0498 177.3828 15 R 3.8028 7.5833 119.1761 59.5559 29.6890 177.8821 16 H 4.3468 7.8325 115.6337 58.7209 28.8904 177.5629 17 V 3.7726 7.6376 119.5647 66.1204 31.3437 178.3548 18 T 3.9204 7.5020 112.3555 64.5515 68.4519 175.3428 *20 E 4.2368 8.1037 123.7936 56.3097 31.6513 177.8521 21 L 3.8326 7.9947 118.6489 57.8791 41.5859 179.4708 22 I 3.6082 7.8122 119.8258 64.8118 36.7901 178.2084 23 H 4.3101 7.5233 115.1008 58.2551 28.5729 177.2196 24 K 4.3469 7.6900 118.5043 56.4519 32.1199 176.8510 25 I 4.2322 7.2501 121.3201 59.6746 37.0645 175.3114 26 D 4.7412 8.3967 125.4045 52.1491 40.9144 177.1651 27 E 2.5400 8.5496 119.2270 59.3805 28.9509 179.6579 28 A 4.0138 7.8340 119.1284 54.3550 18.6480 178.0986 29 H 4.9296 8.3711 113.1931 55.8870 29.3205 175.7692 30 Y 4.4620 7.8969 121.4081 60.6720 37.4432 177.5155 31 D 4.8854 7.8506 115.6435 52.8714 40.1336 175.6564 32 Y 4.1854 8.1861 122.0841 58.2326 39.2864 175.3566 33 K 4.2993 7.0551 124.3061 53.8715 35.9130 174.8270 34 P 4.0342 0.0000 0.0000 64.7868 31.8599 176.3930 35 T 4.6803 7.0976 105.9729 58.7902 71.8714 172.9308 36 P 4.2333 0.0000 0.0000 65.0825 31.4380 177.5988 37 T 4.5712 7.5319 105.8367 61.5115 70.0706 174.5392 38 S 4.8167 7.1908 123.3658 58.8341 61.2575 177.6750 *40 T 4.4619 8.3896 120.3109 62.1585 70.5391 173.5888 41 A 4.0858 8.7256 123.8962 55.5487 18.4237 180.2280 42 K 3.6230 8.5175 118.3579 59.5901 32.1318 179.0687 43 Q 3.9179 8.1560 118.3833 58.6801 28.3820 178.5532 44 L 3.7573 7.8464 120.1972 58.1546 42.2516 178.5594 45 A 3.9646 7.6223 119.2179 55.3589 18.4553 179.5047 46 T 3.4436 7.6522 114.2327 66.5424 68.3622 177.4109 47 H 4.3611 8.0360 117.9455 56.6546 29.8680 176.8279 *49 L 4.3676 7.8659 119.9998 54.4869 43.6590 179.3846 50 F 4.6767 8.1480 117.5694 60.5627 38.8350 177.9269 51 S 4.1992 8.4766 114.2161 61.6117 62.6220 176.4309 52 F 4.1283 8.4959 124.0377 60.9898 39.3160 175.8948 53 Y 4.3653 8.4882 119.2731 61.3308 38.4653 178.2176 54 N 4.3456 8.6859 117.0201 56.1726 38.4902 177.3974 55 F 4.2704 8.5219 118.9534 60.5892 39.0282 177.5503 56 A 3.9827 8.4378 120.5082 55.1310 18.3569 178.8513 57 N 3.9961 8.3526 115.8898 57.3808 38.3722 177.1057 58 T 4.0066 8.2458 116.7199 66.5230 68.4767 176.6120 59 A 3.9266 8.5236 123.0734 54.9682 18.2338 179.4986 60 K 3.6654 8.2895 117.1484 59.5563 32.3378 177.8065 61 H 4.7776 7.8028 112.4253 54.2948 28.9390 175.0165 62 G 3.8660 7.3477 107.9559 46.1573 0.0000 173.1794 63 D 4.7138 7.5864 118.7991 51.1964 42.1300 174.7524 64 P 4.2419 0.0000 0.0000 65.1987 31.6974 179.3196 65 S 4.1932 8.1731 112.6991 61.0900 63.3000 175.7162 66 L 4.0786 7.8013 121.0270 57.3371 41.7213 179.1188 67 F 4.2032 7.9327 119.5458 60.3868 39.2431 176.1803 68 R 4.2513 7.7397 115.9285 55.5705 30.1742 175.7467 69 Q 3.9260 7.5790 120.2296 55.8586 29.1908 176.1653 70 K 3.9803 8.5527 127.1578 56.3714 32.8384 175.6928 71 I 4.0017 8.0601 127.1020 59.7383 37.9424 174.5222 72 E 4.4264 8.5159 126.6601 54.1711 30.5386 174.5266 73 E 4.6229 8.3900 126.4208 54.0508 32.3055 173.4012 74 P 4.4922 0.0000 0.0000 63.6451 32.1605 176.7459 75 E 3.9943 8.3280 119.3651 59.4595 29.5050 177.3015 76 T 3.7635 8.2413 116.9465 64.4081 66.8177 172.4297 77 N 4.6240 7.8492 122.2693 53.1594 39.5452 174.7896 78 L 3.7845 8.7389 129.0193 58.0693 41.8671 179.3174 79 A 3.8719 8.1067 119.6994 55.2453 18.2485 179.4678 80 K 3.9152 9.1555 118.2151 59.5373 32.3423 178.5926 81 L 4.0301 8.1125 120.4748 58.1735 41.8578 178.8138 82 A 3.9909 8.4892 120.7593 55.4094 18.3890 179.5239 83 E 3.9641 8.2699 117.0273 59.6932 29.4970 179.7027 84 T 3.8479 8.1643 115.8024 67.1716 68.5678 176.3529 85 Y 3.8891 8.4327 118.2083 60.9119 37.8192 178.3616 86 T 4.0911 8.3614 117.3277 66.5590 68.5378 176.3145 87 E 3.9981 8.3230 121.3597 59.1126 29.6912 178.9794 88 K 4.0110 8.1015 118.6053 59.7875 32.2153 179.5149 89 T 3.9361 8.3453 116.2223 66.5402 68.3682 176.6233 90 R 3.8899 8.2886 120.8333 59.7215 29.9838 178.6118 91 Q 4.0242 8.2116 117.6489 58.7683 28.4671 178.4821 92 L 3.9286 7.6887 118.9934 58.0926 41.8120 179.4281 93 I 3.8366 7.3394 117.7119 64.4170 37.1475 178.0087 94 E 4.2353 8.2867 119.1413 57.9989 30.7826 178.1117 95 S 4.4260 7.4015 116.2456 56.0470 60.5274 172.6749 *97 S 4.3556 7.3220 121.5375 58.7903 64.6318 174.6197 98 D 4.9136 8.4711 119.0381 57.0914 41.0491 178.8307 99 D 4.4932 8.1641 118.9675 57.0238 40.8870 177.9730 100 D 4.2811 7.7905 119.2339 57.4043 40.3640 178.4245 101 F 4.3411 7.8973 116.0831 59.0689 38.7319 176.1651 102 D 4.8412 8.0734 117.7021 53.3258 42.3392 176.7033 103 R 3.9345 7.2968 120.8009 56.7115 30.6654 175.2686 104 T 4.5370 8.2452 120.9829 62.4881 69.6816 174.0484 105 L 4.3668 8.1192 125.5419 52.8906 43.3396 175.3831 106 D 4.7812 8.4164 123.8268 53.4434 40.1781 174.9731 107 L 4.7675 8.0738 124.9867 54.5089 42.7280 179.2075 108 T 3.9319 7.8887 117.5925 66.7776 68.4084 176.5400 109 A 4.0123 8.0478 122.3544 54.3310 18.6543 177.1714 110 I 4.1710 7.6339 112.9058 62.7845 39.2106 176.5839 111 F 4.5564 8.7440 115.4814 56.3206 39.3795 175.9495 112 G 4.4482 7.8410 108.2345 46.1002 0.0000 173.5005 113 T 4.0628 7.2083 109.5033 61.5688 70.0645 171.8038 114 Q 4.6551 8.7221 125.1494 53.9879 30.7617 175.7168 *116 S 4.3889 8.0487 113.1775 58.6100 65.2868 174.9314 117 T 3.8601 8.4407 119.6567 66.6830 68.0398 177.0389 118 A 4.0397 7.8402 121.7632 55.2714 18.4657 179.6915 119 Q 4.0223 8.2750 116.6745 58.9400 28.7489 178.8457 120 F 4.1145 8.3640 121.7454 61.3954 39.2633 177.3160 121 L 3.5884 7.9085 117.5673 57.4491 41.2818 178.9411 122 Q 4.4673 8.1091 119.2709 59.0845 29.2726 177.6082 123 L 3.9995 7.9806 121.2862 57.8310 41.9176 179.3034 124 A 2.5800 6.5512 116.8502 52.4319 17.6629 178.6716 *126 D 4.4965 8.0463 122.4463 56.1544 43.2832 177.7307 127 H 4.1624 8.3604 118.2304 59.1746 29.7637 176.7642 128 E 4.0110 8.4010 121.3575 59.6227 29.5061 178.9391 129 I 3.7563 7.7253 119.1583 64.4514 37.0060 177.5913 130 H 4.1220 8.5799 119.4927 59.9264 29.6421 177.1282 131 H 4.2313 8.2604 117.7439 58.4635 28.5026 177.7128 132 K 4.0550 8.6133 122.2595 59.2967 32.1348 178.9499 133 G 3.7810 8.2902 106.1283 48.0593 0.0000 175.6872 134 Q 4.2080 7.7700 120.4887 58.6152 28.6727 178.3789 135 L 3.7162 8.1990 121.6735 58.2761 42.0608 179.0361 136 F 3.9609 8.4252 117.6576 60.4967 38.8291 177.8534 137 V 3.7253 7.6739 116.5858 66.2589 31.1639 177.2326 138 Y 4.2402 8.3390 115.3206 61.5788 37.9631 178.6650 139 V 3.6769 8.2735 118.7888 66.2731 31.4062 178.3555 140 R 4.6940 7.3046 117.7878 58.4528 30.0126 180.3329 141 G 4.3391 7.3409 106.4608 43.8927 0.0000 174.5224 *143 G 3.8218 8.0673 108.9322 44.6433 0.0000 173.6283 144 H 4.4595 7.7882 118.8938 55.8934 29.2576 176.0702 145 T 4.4429 8.5119 119.4001 63.6087 70.6885 174.2837 146 D 4.6877 7.9595 120.7858 51.7331 38.3626 174.9134 147 L 4.7914 7.8413 125.8716 52.5277 44.2367 175.0828 148 P 4.5543 0.0000 0.0000 62.0746 32.2254 176.4545 149 L 4.2817 8.3462 120.0318 54.6837 42.0656 178.7503 150 F 4.5422 9.0241 117.0948 59.0997 37.9750 175.8046 151 V 4.2591 6.4164 118.9826 59.4550 34.0778 175.4992 152 K 4.0688 8.6323 121.2118 56.7727 31.9199 176.7866 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 2 S 8.19 4.50 0.00 4.22 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 3 R 8.88 3.57 0.00 1.91 1.35 0.00 2.88 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 4 A 8.52 4.40 1.59 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 0.00 0.00 5 K 7.80 4.11 0.00 1.98 1.86 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.54 7.81 6 K 7.80 3.92 0.00 1.80 1.60 0.00 1.60 0.00 0.00 1.48 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.57 7.81 7 W 8.47 4.26 0.00 3.62 3.40 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 8 V 8.62 3.85 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 1.20 0.00 0.00 1.10 0.00 0.00 9 Q 8.27 4.04 0.00 2.23 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 10 Y 8.40 4.30 0.00 2.99 3.20 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 11 F 9.00 4.05 0.00 3.17 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.37 3.60 0.00 1.86 1.49 0.74 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.10 4.02 0.00 4.14 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 0.00 14 H 7.35 4.26 0.00 3.14 3.27 0.00 5.63 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 15 R 7.58 3.80 0.00 0.67 0.99 0.00 3.23 0.00 0.00 3.06 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.40 0.00 16 H 7.83 4.35 0.00 3.15 3.25 0.00 5.71 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.64 3.77 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 1.35 0.00 0.00 0.99 0.00 0.00 18 T 7.50 3.92 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 *20 E 8.10 4.24 0.00 2.14 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 2.24 2.31 0.00 21 L 7.99 3.83 0.00 1.72 1.46 0.15 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.81 3.61 1.72 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 1.38 0.70 0.76 0.00 0.00 23 H 7.52 4.31 0.00 3.37 3.35 0.00 5.85 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.69 4.35 0.00 1.69 1.39 0.00 1.55 0.00 0.00 1.53 0.00 0.00 3.18 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.58 7.81 25 I 7.25 4.23 2.04 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 1.34 0.66 1.11 0.00 0.00 26 D 8.40 4.74 0.00 2.78 2.80 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 27 E 8.55 2.54 0.00 1.71 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 2.03 2.12 0.00 28 A 7.83 4.01 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 H 8.37 4.93 0.00 3.37 3.36 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 7.90 4.46 0.00 3.13 3.04 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 31 D 7.85 4.89 0.00 2.83 2.83 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 32 Y 8.19 4.19 0.00 3.17 3.08 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 33 K 7.06 4.30 0.00 1.48 1.52 0.00 2.00 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.27 1.41 7.81 34 P 0.00 4.03 0.00 1.85 1.95 0.00 3.16 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.97 0.00 35 T 7.10 4.68 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 1.16 0.00 0.00 36 P 0.00 4.23 0.00 2.03 2.12 0.00 3.61 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 37 T 7.53 4.57 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 1.20 0.00 0.00 38 S 7.19 4.82 0.00 3.99 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 *40 T 8.39 4.46 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 41 A 8.73 4.09 1.67 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 0.00 0.00 42 K 8.52 3.62 0.00 1.66 1.74 0.00 1.43 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.23 1.01 7.81 43 Q 8.16 3.92 0.00 2.38 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 44 L 7.85 3.76 0.00 1.46 1.59 0.71 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.62 3.96 1.14 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 0.00 0.00 46 T 7.65 3.44 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 0.52 0.00 0.00 47 H 8.04 4.36 0.00 3.19 3.42 0.00 5.81 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *49 L 7.87 4.37 0.00 1.44 1.71 0.74 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.15 4.68 0.00 2.98 2.96 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 0.00 0.00 0.00 51 S 8.48 4.20 0.00 4.24 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 0.00 52 F 8.50 4.13 0.00 3.35 3.25 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 0.00 53 Y 8.49 4.37 0.00 3.56 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.69 4.35 0.00 2.78 2.64 0.00 0.00 7.08 7.72 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 55 F 8.52 4.27 0.00 2.94 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 56 A 8.44 3.98 1.38 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 0.00 0.00 57 N 8.35 4.00 0.00 2.28 2.79 0.00 0.00 7.29 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 58 T 8.25 4.01 4.72 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 1.06 0.00 0.00 59 A 8.52 3.93 1.43 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 0.00 0.00 60 K 8.29 3.67 0.00 1.71 1.71 0.00 1.35 0.00 0.00 1.38 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.61 7.81 61 H 7.80 4.78 0.00 3.14 3.26 0.00 6.05 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 62 G 7.35 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 0.00 0.00 0.00 63 D 7.59 4.71 0.00 2.76 2.52 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 64 P 0.00 4.24 0.00 2.16 1.98 0.00 3.59 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 2.02 1.91 0.00 65 S 8.17 4.19 0.00 3.99 3.99 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 66 L 7.80 4.08 0.00 1.80 1.78 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.93 4.20 0.00 2.98 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 68 R 7.74 4.25 0.00 1.81 1.84 0.00 3.21 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.68 0.00 69 Q 7.58 3.93 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 70 K 8.55 3.98 0.00 1.72 1.67 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.42 7.81 71 I 8.06 4.00 1.05 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 1.22 0.60 0.01 0.00 0.00 72 E 8.52 4.43 0.00 1.85 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 2.17 2.23 0.00 73 E 8.39 4.62 0.00 1.75 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 0.00 2.34 2.54 0.00 74 P 0.00 4.49 0.00 2.11 2.10 0.00 3.81 0.00 0.00 3.60 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 75 E 8.33 3.99 0.00 1.98 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 2.37 2.64 0.00 76 T 8.24 3.76 4.29 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 1.30 0.00 0.00 77 N 7.85 4.62 0.00 2.83 2.95 0.00 0.00 7.05 6.66 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 78 L 8.74 3.78 0.00 1.56 1.58 0.54 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.11 3.87 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 80 K 9.16 3.92 0.00 1.83 1.99 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.49 7.81 81 L 8.11 4.03 0.00 1.93 1.80 1.04 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.49 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.27 3.96 0.00 2.09 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 0.00 2.43 2.48 0.00 84 T 8.16 3.85 4.61 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 1.17 0.00 0.00 85 Y 8.43 3.89 0.00 3.23 3.21 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 86 T 8.36 4.09 4.38 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 1.28 0.00 0.00 87 E 8.32 4.00 0.00 2.21 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 2.33 2.41 0.00 88 K 8.10 4.01 0.00 1.88 1.96 0.00 0.75 0.00 0.00 0.69 0.00 0.00 2.72 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.33 1.41 7.81 89 T 8.35 3.94 4.38 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 0.75 0.00 0.00 90 R 8.29 3.89 0.00 2.19 2.16 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 91 Q 8.21 4.02 0.00 2.41 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 92 L 7.69 3.93 0.00 1.76 1.66 0.73 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 93 I 7.34 3.84 1.87 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 1.40 0.48 1.11 0.00 0.00 94 E 8.29 4.24 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 2.40 2.40 0.00 95 S 7.40 4.43 0.00 4.01 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 *97 S 7.32 4.36 0.00 4.06 3.99 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 98 D 8.47 4.91 0.00 2.91 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 99 D 8.16 4.49 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 0.00 100 D 7.79 4.28 0.00 2.50 2.39 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 0.00 101 F 7.90 4.34 0.00 3.54 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 0.00 102 D 8.07 4.84 0.00 2.82 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 0.00 103 R 7.30 3.93 0.00 1.93 1.71 0.00 2.99 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 104 T 8.25 4.54 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 1.18 0.00 0.00 105 L 8.12 4.37 0.00 1.37 1.20 0.23 0.72 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 0.00 106 D 8.42 4.78 0.00 2.58 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 0.00 107 L 8.07 4.77 0.00 1.99 1.84 0.50 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 108 T 7.89 3.93 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 1.20 0.00 0.00 109 A 8.05 4.01 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.63 4.17 1.83 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 1.38 0.69 0.43 0.00 0.00 111 F 8.74 4.56 0.00 2.94 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 0.00 112 G 7.84 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 0.00 0.00 0.00 0.00 113 T 7.21 4.06 4.28 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 1.30 0.00 0.00 114 Q 8.72 4.66 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.37 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 *116 S 8.05 4.39 0.00 4.11 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 0.00 117 T 8.44 3.86 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 1.05 0.00 0.00 118 A 7.84 4.04 1.60 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 0.00 119 Q 8.27 4.02 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 120 F 8.36 4.11 0.00 3.03 3.11 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 0.00 0.00 0.00 121 L 7.91 3.59 0.00 0.92 0.76 0.46 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 8.11 4.47 0.00 2.47 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.95 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 123 L 7.98 4.00 0.00 1.64 1.56 0.91 0.60 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 0.00 124 A 6.55 2.58 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *126 D 8.05 4.50 0.00 2.88 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 0.00 127 H 8.36 4.16 0.00 3.23 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.40 4.01 0.00 2.49 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 2.36 2.46 0.00 129 I 7.73 3.76 1.90 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 1.24 0.55 1.03 0.00 0.00 130 H 8.58 4.12 0.00 3.24 3.54 0.00 5.78 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 0.00 131 H 8.26 4.23 0.00 3.19 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.61 4.06 0.00 1.91 2.15 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.24 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.86 1.63 7.81 133 G 8.29 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Q 7.77 4.21 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 135 L 8.20 3.72 0.00 1.73 1.75 0.70 0.93 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 0.00 136 F 8.43 3.96 0.00 3.47 3.11 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 0.00 0.00 0.00 137 V 7.67 3.73 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 1.13 0.00 0.00 1.04 0.00 0.00 138 Y 8.34 4.24 0.00 3.12 3.11 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 0.00 0.00 0.00 139 V 8.27 3.68 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 0.96 0.00 0.00 0.86 0.00 0.00 140 R 7.30 4.69 0.00 2.05 2.02 0.00 3.30 0.00 0.00 3.16 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.90 0.00 141 G 7.34 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *143 G 8.07 3.82 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 0.00 0.00 0.00 144 H 7.79 4.46 0.00 3.19 3.23 0.00 5.76 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.51 4.44 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 0.00 146 D 7.96 4.69 0.00 2.78 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 0.00 147 L 7.84 4.79 0.00 1.86 1.89 1.14 1.12 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 0.00 148 P 0.00 4.55 0.00 2.16 2.13 0.00 3.73 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 1.99 2.28 0.00 149 L 8.35 4.28 0.00 1.76 1.70 0.95 0.93 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 0.00 150 F 9.02 4.54 0.00 3.05 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 V 6.42 4.26 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 -0.01 0.00 0.00 0.61 0.00 0.00 152 K 8.63 4.07 0.00 1.83 1.71 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.34 7.81 * Residues marked with a * may have inaccurate shift predictions.