NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2437 8.3344 116.7851 58.4512 65.2881 173.6303 -7 D 5.2189 7.4817 124.7321 51.5245 40.8219 174.4958 -6 P 4.0330 0.0000 0.0000 65.5759 32.2331 177.8485 -5 S 4.8285 7.9992 111.1452 58.8661 62.9811 174.6530 -4 S 4.7500 8.3170 116.3559 58.2363 64.0386 176.0027 -3 I 4.3391 7.7594 123.2452 63.3569 37.4223 177.5731 -2 N 5.0717 7.6280 115.8992 52.1088 39.7933 176.2965 -1 G 4.1610 7.8767 104.3988 44.9332 0.0000 172.1292 -7 G 4.5389 7.4717 113.1321 42.4245 0.0000 173.0958 -6 I 3.7830 9.2788 128.6024 63.3759 38.9331 176.9485 -5 V 4.4785 7.7192 114.6452 62.7661 32.0811 176.3530 -4 V 4.4000 8.0370 119.8559 62.1363 33.1386 177.7027 -3 A 4.4891 7.9994 127.1452 54.7569 17.7223 178.9731 -2 M 4.8117 7.5080 116.7992 54.4088 33.7933 177.3965 -1 T 4.5510 7.6967 109.1988 61.6332 67.8234 171.9292 8 G 3.8175 8.4006 111.4675 44.5845 0.0000 172.3073 9 K 4.0481 8.7025 123.7863 56.5234 31.4190 177.0653 10 D 4.4436 8.6108 127.9949 54.5473 38.6088 173.2324 11 C 4.6827 7.5029 110.2801 57.7569 32.2807 172.3542 12 V 4.9793 7.8352 111.6696 59.9254 35.3471 174.4688 13 A 4.7012 8.4145 123.5002 50.1997 22.0797 175.3532 14 I 5.0865 8.1623 120.0970 59.3848 40.9451 174.0856 15 A 4.9519 8.5145 129.4316 50.8041 22.4748 174.3274 16 C 5.3096 8.2887 112.4254 57.3549 32.5864 173.4297 17 D 4.7178 8.5607 120.2925 53.0137 40.8718 175.7985 18 L 5.0105 8.0675 115.5087 53.5773 43.3186 176.9055 19 R 4.5187 8.0204 119.7428 56.4376 31.3192 175.9258 20 L 4.3835 8.6715 126.6884 54.1060 45.0931 174.6865 21 G 4.6158 8.5664 113.4437 44.5336 0.0000 171.5886 22 S 4.6337 8.6969 113.3029 56.9613 63.8255 174.7194 23 Q 3.4942 8.3217 129.9531 56.7313 26.7302 177.3138 24 S 4.1865 8.7475 120.5107 61.3446 63.3977 174.0497 25 L 4.1406 7.8145 124.5509 54.1355 42.1576 175.7651 26 G 4.0547 8.6120 115.8376 45.2669 0.0000 172.4952 27 V 4.1306 8.5910 123.9041 63.7424 33.0794 175.8974 28 S 4.7308 7.6931 112.8418 56.5403 65.2521 173.1968 29 N 5.2194 8.8466 122.8335 52.7243 37.3662 174.6747 30 K 4.5854 8.0512 114.6557 56.6973 34.1376 176.8722 31 F 4.5183 8.4560 124.9368 57.5811 38.8725 174.2986 32 E 4.0388 8.2062 124.3785 55.5856 30.4380 176.6356 33 K 4.2327 8.2964 120.2880 55.9048 34.1315 175.0817 34 I 4.7608 7.0298 120.4537 59.4626 39.8434 174.7137 35 F 4.9902 9.3428 123.9845 56.0977 44.0475 173.1469 36 H 4.9469 7.4075 113.5010 53.5127 31.8279 172.4672 *38 Y 4.7767 7.9323 116.6785 58.7127 39.1342 175.3661 39 G 3.9164 8.1769 116.7066 47.3803 0.0000 173.0763 40 H 4.7568 8.9420 120.3947 54.9374 28.9236 174.1620 41 V 4.2516 7.4469 121.4433 61.8048 33.1119 174.4740 42 F 5.0089 9.4540 126.8172 55.6464 41.7508 174.4328 43 L 5.3392 9.4611 124.7997 53.3542 45.1707 175.1696 44 G 4.5531 9.6264 113.5854 44.5973 0.0000 172.2009 45 I 5.1775 8.9179 124.0513 59.6744 40.9696 175.0171 46 T 4.5127 8.2789 115.5738 59.8974 71.8012 172.1603 47 G 4.1615 8.8456 105.1017 43.9554 0.0000 173.6094 48 L 4.1812 8.9441 124.5453 54.7881 42.7797 178.0661 49 A 4.1637 10.2216 128.5169 55.9167 18.2407 179.1253 50 T 3.8291 7.9855 110.7811 65.5340 67.3514 175.7382 51 D 4.4677 8.1793 120.2647 56.7832 41.1175 178.6836 52 V 3.7017 7.9351 119.0503 66.4384 31.6287 178.2930 53 T 3.8969 8.2917 115.4947 66.9915 68.2998 176.9666 54 T 3.8048 7.9993 117.6545 66.5432 68.3376 176.8409 55 L 3.4567 8.0834 121.3938 57.4040 41.5751 179.0268 56 N 4.3248 7.7268 118.1646 56.1950 38.7830 176.8402 57 E 3.9477 7.9223 119.9187 59.4188 29.4472 179.0695 58 M 3.7441 7.7846 118.3129 58.6554 32.2891 178.3859 59 F 4.3279 7.9720 117.9806 59.9562 38.9794 177.9213 60 R 3.8529 8.0716 118.8426 59.4297 29.8232 177.6286 61 Y 4.0247 8.0050 119.3310 61.0127 38.7553 178.5604 62 K 4.2656 8.4931 119.5374 59.5921 32.1943 179.5159 63 T 4.0334 8.1797 110.0533 64.4226 68.8694 176.7576 64 N 4.3642 8.2246 119.7805 56.2323 38.5923 177.3546 65 L 3.9712 7.7078 120.5554 57.7883 41.6687 178.6519 66 Y 4.0240 8.2291 119.6103 60.7920 38.5882 178.3648 67 K 4.3487 8.2304 121.6212 59.1193 32.1123 178.7368 68 L 3.9630 7.6492 117.8028 57.5160 41.5459 179.2618 69 K 4.1250 7.7749 117.4182 59.0970 32.4200 178.8022 70 E 3.9517 8.1800 117.6430 56.4088 29.6969 176.4960 71 E 3.8548 8.6962 117.4697 56.7005 27.1690 174.1639 72 R 4.4902 7.3651 110.7701 55.2271 31.8534 173.6347 73 A 4.3025 8.5069 122.6001 51.5873 19.2538 177.6127 74 I 3.6810 8.1236 121.7240 61.0045 38.7154 176.0998 75 E 4.5153 8.3489 125.6635 54.4429 32.2764 175.8137 76 P 4.3058 0.0000 0.0000 66.1121 31.3046 178.8307 77 E 4.0005 8.1821 116.5632 59.7779 29.4245 179.5245 78 T 3.8941 7.8346 115.1634 66.6590 68.5638 176.4437 79 F 4.0912 8.4949 122.8670 61.4693 39.3381 177.2468 80 T 3.6299 8.0002 115.4555 66.7125 68.1919 176.6342 81 Q 3.9642 7.7791 120.0685 58.7343 28.6707 178.5407 82 L 3.9014 7.6705 121.5616 57.8373 41.9702 179.2838 83 V 3.3519 7.4422 118.5351 65.8077 31.4231 177.7169 84 S 4.0846 7.8505 113.1160 61.6985 62.0763 176.4908 85 S 4.2064 8.2567 116.7360 61.4970 62.5142 176.5527 86 S 4.1776 7.9825 118.2332 61.2507 62.8420 176.2840 87 L 4.2585 8.3604 122.1461 57.9308 41.6117 178.7920 88 Y 3.9024 8.2741 119.1347 60.0585 38.4358 177.4224 89 E 4.0537 7.8940 119.5143 58.0386 30.0274 177.0064 90 R 4.4345 7.5576 118.4794 55.1933 30.9393 178.1210 91 R 3.1944 7.0158 120.3852 59.0418 29.7936 176.8498 92 F 4.8231 7.5103 112.2709 57.1152 39.7477 176.7255 93 G 4.1294 7.6099 109.5093 43.3609 0.0000 171.8953 94 P 4.0123 0.0000 0.0000 62.5487 32.3138 175.8740 95 Y 4.2150 7.7877 117.4028 57.8346 38.9851 176.6980 96 F 4.7643 8.9987 124.7243 56.4161 37.7049 174.7517 97 V 4.9915 7.8602 114.3328 59.6785 36.6481 175.9091 98 G 4.2020 8.8226 108.2877 43.6520 0.0000 170.3751 99 P 5.0051 0.0000 0.0000 63.1259 33.0075 175.9866 100 V 4.4451 8.9581 122.0338 61.5256 34.9669 173.7759 101 V 5.0972 8.6226 127.3314 61.2806 33.6453 174.5159 102 A 4.7661 9.6250 128.5351 49.6745 22.8810 175.5641 103 G 4.2521 7.7290 107.3901 46.6845 0.0000 171.6313 104 I 4.6477 8.0290 119.8905 58.9040 39.9223 175.5577 105 N 5.1164 8.9083 121.9668 53.4795 38.6980 174.2275 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 -8 S 8.33 4.24 0.00 3.84 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -7 D 7.48 5.22 0.00 2.75 2.53 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 -6 P 0.00 4.03 0.00 1.22 1.43 0.00 3.26 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.59 0.00 -5 S 8.00 4.83 0.00 4.07 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 0.00 -4 S 8.32 4.75 0.00 3.79 3.79 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 -3 I 7.76 4.34 1.84 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 1.46 1.23 0.88 0.00 0.00 -2 N 7.63 5.07 0.00 2.77 2.77 0.00 0.00 7.61 7.58 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 -1 G 7.88 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 0.00 0.00 0.00 0.00 -7 G 7.47 4.54 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 0.00 0.00 0.00 -6 I 9.28 3.78 1.87 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 1.41 0.67 0.91 0.00 0.00 -5 V 7.72 4.48 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 1.04 0.00 0.00 0.93 0.00 0.00 -4 V 8.04 4.40 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 0.79 0.00 0.00 0.93 0.00 0.00 -3 A 8.00 4.49 1.30 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 0.00 0.00 -2 M 7.51 4.81 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 -1 T 7.70 4.55 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 8 G 8.40 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 9 K 8.70 4.05 0.00 1.70 1.76 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.51 7.81 10 D 8.61 4.44 0.00 2.83 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 11 C 7.50 4.68 0.00 3.01 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 12 V 7.84 4.98 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 0.66 0.00 0.00 0.88 0.00 0.00 13 A 8.41 4.70 1.11 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 0.00 0.00 14 I 8.16 5.09 1.81 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 1.32 0.85 0.75 0.00 0.00 15 A 8.51 4.95 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 16 C 8.29 5.31 0.00 3.06 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 17 D 8.56 4.72 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.07 5.01 0.00 1.61 1.82 0.98 0.98 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 19 R 8.02 4.52 0.00 1.85 1.86 0.00 3.23 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 20 L 8.67 4.38 0.00 1.56 1.52 0.74 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.57 4.62 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 0.00 0.00 0.00 22 S 8.70 4.63 0.00 3.73 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 23 Q 8.32 3.49 0.00 2.23 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.88 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 24 S 8.75 4.19 0.00 3.97 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 25 L 7.81 4.14 0.00 1.76 1.74 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.61 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.59 4.13 2.18 0.00 0.00 0.00 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 0.96 0.00 0.00 28 S 7.69 4.73 0.00 3.85 3.63 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 29 N 8.85 5.22 0.00 2.86 2.86 0.00 0.00 5.88 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.05 4.59 0.00 1.70 1.83 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.46 4.52 0.00 3.20 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 32 E 8.21 4.04 0.00 1.62 1.62 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 2.22 2.41 0.00 33 K 8.30 4.23 0.00 1.59 1.95 0.00 1.66 0.00 0.00 1.93 0.00 0.00 2.95 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.39 1.48 7.81 34 I 7.03 4.76 1.71 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 1.27 0.47 1.04 0.00 0.00 35 F 9.34 4.99 0.00 2.69 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 36 H 7.41 4.95 0.00 1.92 1.53 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.93 4.78 0.00 2.70 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 39 G 8.18 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 40 H 8.94 4.76 0.00 3.36 3.41 0.00 5.52 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.45 4.25 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 0.73 0.00 0.00 0.70 0.00 0.00 42 F 9.45 5.01 0.00 3.16 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 43 L 9.46 5.34 0.00 2.06 1.78 1.13 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.63 4.55 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 0.00 0.00 0.00 45 I 8.92 5.18 2.12 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.02 1.05 0.00 0.00 46 T 8.28 4.51 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 47 G 8.85 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 0.00 0.00 0.00 0.00 48 L 8.94 4.18 0.00 1.91 1.75 0.98 1.21 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 49 A 10.22 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.99 3.83 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 51 D 8.18 4.47 0.00 3.06 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 52 V 7.94 3.70 2.61 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 1.35 0.00 0.00 1.24 0.00 0.00 53 T 8.29 3.90 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 54 T 8.00 3.80 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 1.08 0.00 0.00 55 L 8.08 3.46 0.00 1.64 1.69 0.86 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.73 4.32 0.00 1.49 2.38 0.00 0.00 6.87 7.39 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 57 E 7.92 3.95 0.00 2.12 1.94 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 2.30 2.35 0.00 58 M 7.78 3.74 0.00 1.52 1.63 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.92 0.00 59 F 7.97 4.33 0.00 2.93 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 60 R 8.07 3.85 0.00 2.17 2.14 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 61 Y 8.00 4.02 0.00 3.14 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 62 K 8.49 4.27 0.00 1.99 1.98 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.59 1.66 7.81 63 T 8.18 4.03 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 0.96 0.00 0.00 64 N 8.22 4.36 0.00 2.97 2.86 0.00 0.00 6.87 6.76 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 65 L 7.71 3.97 0.00 1.84 1.73 0.94 0.60 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 66 Y 8.23 4.02 0.00 3.18 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.23 4.35 0.00 2.13 1.99 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.57 7.81 68 L 7.65 3.96 0.00 1.86 1.70 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.77 4.12 0.00 1.60 1.76 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.57 7.81 70 E 8.18 3.95 0.00 1.60 1.74 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 1.69 1.47 0.00 71 E 8.70 3.85 0.00 2.08 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 2.22 2.19 0.00 72 R 7.37 4.49 0.00 1.99 2.00 0.00 3.03 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 73 A 8.51 4.30 1.34 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 74 I 8.12 3.68 1.03 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.08 0.65 0.00 0.00 75 E 8.35 4.52 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 76 P 0.00 4.31 0.00 2.19 2.16 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 77 E 8.18 4.00 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 78 T 7.83 3.89 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 1.22 0.00 0.00 79 F 8.49 4.09 0.00 3.01 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 80 T 8.00 3.63 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 1.16 0.00 0.00 81 Q 7.78 3.96 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 82 L 7.67 3.90 0.00 1.70 1.55 0.99 1.04 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 83 V 7.44 3.35 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 0.88 0.00 0.00 -0.46 0.00 0.00 84 S 7.85 4.08 0.00 3.95 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 85 S 8.26 4.21 0.00 4.11 4.11 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 86 S 7.98 4.18 0.00 4.24 3.96 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 87 L 8.36 4.26 0.00 1.89 1.76 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.27 3.90 0.00 3.16 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 89 E 7.89 4.05 0.00 2.13 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 0.00 2.28 2.33 0.00 90 R 7.56 4.43 0.00 1.58 1.68 0.00 2.99 0.00 0.00 2.86 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.22 0.00 91 R 7.02 3.19 0.00 0.67 1.00 0.00 2.67 0.00 0.00 2.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.51 4.82 0.00 3.00 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 93 G 7.61 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 0.00 0.00 0.00 0.00 94 P 0.00 4.01 0.00 1.82 1.79 0.00 3.56 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 1.41 1.79 0.00 95 Y 7.79 4.21 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 96 F 9.00 4.76 0.00 3.08 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 97 V 7.86 4.99 2.24 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 0.82 0.00 0.00 1.02 0.00 0.00 98 G 8.82 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 0.00 0.00 0.00 0.00 99 P 0.00 5.01 0.00 1.97 2.05 0.00 3.69 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 2.09 2.18 0.00 100 V 8.96 4.45 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 0.95 0.00 0.00 0.97 0.00 0.00 101 V 8.62 5.10 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 1.06 0.00 0.00 1.01 0.00 0.00 102 A 9.63 4.77 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 0.00 103 G 7.73 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 0.00 0.00 0.00 0.00 104 I 8.03 4.65 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.73 0.92 0.00 0.00 105 N 8.91 5.12 0.00 2.71 2.73 0.00 0.00 7.19 7.56 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 * Residues marked with a * may have inaccurate shift predictions.