NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 E 4.2698 8.5445 116.7535 55.2197 31.7778 176.4721 11 E 4.3454 7.6106 116.5165 54.3260 30.1919 177.2258 12 Q 4.5588 8.6977 119.2304 55.0554 32.6029 174.6599 13 E 3.8976 8.4660 123.3409 57.1774 29.9800 175.4731 14 Q 5.2532 7.7746 124.7450 52.6857 29.7480 178.2773 15 Q 4.4079 7.7889 121.2086 56.5964 26.3141 173.4701 16 Q 4.6672 8.1244 122.4303 54.2524 28.2709 175.2270 17 Q 5.2101 8.4580 123.1856 55.7672 31.7674 171.1548 18 Q 3.5752 8.7122 112.8436 58.4391 25.3935 170.1411 19 I 4.5115 7.8470 118.1325 59.5513 37.9825 177.9541 20 I 4.5826 8.0041 123.5083 59.1148 39.5888 173.0689 21 K 4.3702 8.7614 119.4423 57.3696 33.3647 175.2865 22 I 4.3033 7.8637 116.2396 60.3207 36.0942 180.6590 23 R 4.2598 7.8912 126.2878 59.4845 27.7021 183.8033 24 I 3.9230 6.4245 116.6716 61.2997 31.3558 174.0578 25 T 4.8742 7.7969 120.8857 60.0836 70.3033 175.4197 26 L 4.6120 8.4591 133.4842 54.1219 42.3219 173.2400 27 T 4.6365 8.8730 121.8136 59.7253 71.1005 169.9811 28 S 4.8234 9.1393 130.1452 57.1979 66.9613 173.1433 29 T 4.6267 8.5713 111.3824 62.9223 71.3228 169.8232 30 K 4.8709 7.4235 128.7112 55.4019 33.7624 181.0518 31 V 4.2812 8.6603 125.5411 62.6171 38.5660 174.5025 32 K 4.1401 9.4698 125.4995 59.9255 31.4463 181.6481 33 Q 4.4146 8.1079 116.1467 55.3089 27.2891 178.7586 34 L 4.5435 8.6013 125.2460 57.1849 49.8100 180.2645 35 E 4.3934 9.2872 115.7617 57.1346 29.6809 180.4055 36 N 4.5360 8.3826 120.6480 57.2673 37.6722 182.8978 37 V 4.2334 7.9755 118.0192 61.6652 31.4225 179.9061 38 S 4.6325 8.3859 122.0334 61.2095 64.0621 179.8789 39 S 4.2326 8.1367 119.8297 61.4887 62.3211 176.5289 40 N 4.5412 7.9374 120.0274 54.2710 37.8594 176.6697 41 I 3.7919 8.7187 121.9764 60.5955 34.1743 175.2220 42 V 3.8852 6.6395 119.0054 63.0453 32.0304 181.1752 43 K 4.1100 8.6624 125.5059 57.9244 32.3585 181.0738 44 N 4.8154 7.5558 114.4638 52.1886 36.9158 180.0838 45 A 4.6766 7.7329 133.0413 54.0090 21.2264 179.3724 46 E 4.0120 8.0919 113.8945 58.1231 29.7083 182.7516 47 Q 4.4058 7.8569 119.0628 56.1960 28.4687 180.3299 *48 H 4.6517 9.1488 127.3182 54.6598 26.6799 173.3831 49 N 4.3904 8.0371 117.2879 52.2251 37.7814 176.6625 50 L 4.2239 8.3091 118.3144 56.0294 40.9315 176.8145 51 V 3.8856 8.3436 115.0924 62.6545 31.8985 172.7683 52 K 5.3968 8.4362 129.4164 52.1658 31.2853 172.7166 53 K 4.5362 8.4211 127.1217 54.3699 32.0514 176.5824 54 G 4.1322 7.9743 110.2566 44.8969 0.0000 171.1566 55 P 5.5139 0.0000 0.0000 61.6476 31.4529 174.6095 56 V 4.1881 9.0090 125.4979 60.5016 33.3516 177.3321 57 R 4.6253 8.6188 130.1409 55.8200 29.9529 173.8008 58 L 4.3868 8.2561 128.4173 53.9948 41.5292 173.0490 59 P 4.3725 0.0000 0.0000 63.8319 30.1648 179.2512 60 T 4.1348 8.2849 117.2821 61.8184 68.9114 174.3102 61 K 4.2383 8.7570 134.7822 54.5929 33.0203 174.0175 62 V 4.5541 8.4213 127.5399 58.6618 33.1070 171.2410 63 L 4.2802 8.3041 131.2803 54.8792 42.3068 175.7309 64 K 4.9773 8.7155 128.8944 53.1971 35.6954 173.4564 65 I 4.4234 8.7505 127.8341 58.7234 37.6041 172.5115 66 S 5.0019 8.5669 128.6328 57.7496 64.2187 171.6774 67 T 4.1664 9.0017 114.6075 61.1307 71.8157 173.9896 68 R 4.0840 9.0462 130.5787 56.9461 30.0931 174.0032 69 K 4.3163 8.7973 126.4960 56.3987 33.2723 174.2671 70 T 3.3449 8.7540 123.5218 60.2564 67.3171 171.7986 71 P 4.4254 0.0000 0.0000 62.9812 32.0797 172.6888 72 N 4.7146 9.1884 110.5472 51.4909 35.4658 177.0063 73 G 3.9689 8.6147 101.9149 49.0223 0.0000 172.9155 74 E 4.1231 7.8567 115.3418 55.0433 30.1382 178.2431 75 G 4.1628 8.6030 111.3328 47.8516 0.0000 174.3870 76 S 4.4182 9.3680 121.7454 56.6723 60.8401 177.5820 77 K 4.0468 7.8709 120.7625 55.1078 30.3346 181.9724 78 T 3.3890 7.9205 112.2222 59.7718 66.9447 174.8939 *79 W 3.3715 8.0488 135.0000 56.3096 25.5665 175.6250 80 E 4.8426 8.4428 124.4964 54.7885 32.5006 173.5513 81 T 4.7657 8.6582 119.9532 60.0345 71.2393 171.8975 *82 Y 4.6101 8.8063 130.7244 55.9402 39.9138 172.3661 83 E 5.0099 8.2945 116.4025 56.7369 33.4120 177.0253 84 M 4.8250 7.5869 115.2726 57.6416 34.5026 170.0025 85 R 4.3648 8.4871 126.4261 56.4322 30.7766 176.2415 86 I 4.3040 8.4784 128.3395 59.8574 36.5538 171.7074 *87 H 5.1064 8.7648 129.4521 53.4256 30.7637 171.8457 88 K 4.5653 8.3544 124.8889 55.2301 35.4393 175.1272 89 R 5.1170 8.9256 128.4414 54.8191 33.9107 171.3505 *90 Y 4.8042 9.0703 119.4557 57.5471 40.9709 174.3975 91 I 5.2870 8.8064 125.7786 58.3468 38.5877 174.7755 92 D 5.1405 8.4666 129.1433 52.9543 39.9109 177.5166 93 L 4.1858 8.8456 130.3449 55.0826 40.0545 178.8108 94 E 4.7021 9.0698 107.4416 54.3672 34.2774 178.1066 95 A 5.0926 8.4961 124.4848 51.6024 18.3758 175.3821 96 P 4.2374 0.0000 0.0000 63.7823 29.5642 169.4463 97 V 3.2813 7.7448 124.6150 60.6029 31.1399 176.0605 98 Q 4.0944 8.9587 123.0296 55.5544 27.7024 173.1745 99 I 4.5741 7.7988 118.3274 59.8671 38.0312 179.7344 100 V 4.2620 7.7007 127.9508 60.2734 34.5993 168.5928 101 K 3.8149 9.4503 126.5279 57.4795 31.9152 171.9761 102 R 4.2594 8.8564 128.0576 57.9584 27.8405 178.7565 103 I 3.9799 7.8219 114.0350 60.7897 34.7290 178.7833 104 T 4.2892 7.6878 117.5082 60.8884 68.8482 174.1231 105 Q 3.5703 8.7806 132.5921 54.6117 24.6562 171.8303 106 I 4.6156 7.4958 122.4374 59.1113 39.8343 174.9650 107 T 3.6028 9.4955 113.5458 62.5942 66.9645 172.7278 108 I 4.1862 7.8627 113.9870 60.9689 36.8921 172.1307 109 E 3.9859 8.7372 121.6047 56.8800 29.1693 178.3694 110 P 4.3244 0.0000 0.0000 62.5208 31.6837 173.8239 111 G 3.8448 9.9128 113.2591 45.8252 0.0000 174.7629 112 V 4.2930 7.3188 113.4604 59.3840 36.0665 175.2616 113 D 4.1623 8.3315 122.5881 54.6421 38.6105 179.7217 114 V 4.6211 8.2317 122.8810 58.9252 34.3842 171.8851 115 E 4.8326 8.3061 114.2428 57.0060 34.2091 171.8382 116 V 4.4291 8.0670 125.1239 60.7919 30.1864 174.7921 117 V 3.9361 8.3622 124.3527 58.0113 28.8981 169.0293 118 V 3.2494 7.2104 127.6522 60.7646 29.1009 173.6260 119 A 4.8555 8.1451 129.5420 50.4572 22.6596 177.1331 120 S 4.3453 8.4203 114.2683 58.3985 63.3925 172.9535 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 10 E 8.54 4.27 0.00 2.01 1.90 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 2.13 1.88 0.00 11 E 7.61 4.35 0.00 2.02 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 2.11 1.94 0.00 12 Q 8.70 4.56 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.60 0.00 0.00 0.00 0.00 0.00 2.12 1.75 0.00 13 E 8.47 3.90 0.00 1.99 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 2.24 1.94 0.00 14 Q 7.77 5.25 0.00 2.11 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.33 0.00 0.00 0.00 0.00 0.00 2.03 1.63 0.00 15 Q 7.79 4.41 0.00 2.03 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.88 0.00 0.00 0.00 0.00 0.00 2.19 1.79 0.00 16 Q 8.12 4.67 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.64 0.00 0.00 0.00 0.00 0.00 2.21 1.90 0.00 17 Q 8.46 5.21 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.88 0.00 0.00 0.00 0.00 0.00 2.19 1.87 0.00 18 Q 8.71 3.58 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.67 0.00 0.00 0.00 0.00 0.00 2.18 1.90 0.00 19 I 7.85 4.51 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 1.27 1.20 0.91 0.00 0.00 20 I 8.00 4.58 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 1.27 0.40 0.91 0.00 0.00 21 K 8.76 4.37 0.00 1.65 1.81 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 0.97 7.81 22 I 7.86 4.30 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 1.27 0.63 0.91 0.00 0.00 23 R 7.89 4.26 0.00 1.99 2.10 0.00 3.24 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.17 0.00 24 I 6.42 3.92 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 1.15 0.89 0.91 0.00 0.00 25 T 7.80 4.87 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 26 L 8.46 4.61 0.00 1.28 1.59 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.87 4.64 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 28 S 9.14 4.82 0.00 3.33 3.74 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 29 T 8.57 4.63 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 30 K 7.42 4.87 0.00 1.71 0.92 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 0.96 7.81 31 V 8.66 4.28 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 0.59 0.00 0.00 0.93 0.00 0.00 32 K 9.47 4.14 0.00 1.67 1.89 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.06 7.81 33 Q 8.11 4.41 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.82 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 34 L 8.60 4.54 0.00 1.47 1.58 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.29 4.39 0.00 1.93 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 2.26 2.13 0.00 36 N 8.38 4.54 0.00 2.64 2.87 0.00 0.00 6.95 7.67 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 37 V 7.98 4.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 38 S 8.39 4.63 0.00 3.62 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.14 4.23 0.00 3.65 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 40 N 7.94 4.54 0.00 2.73 2.65 0.00 0.00 6.66 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 41 I 8.72 3.79 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 1.27 0.96 0.91 0.00 0.00 42 V 6.64 3.89 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 0.63 0.00 0.00 0.93 0.00 0.00 43 K 8.66 4.11 0.00 1.67 1.86 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.38 1.27 7.81 44 N 7.56 4.82 0.00 2.87 2.72 0.00 0.00 6.83 7.34 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 45 A 7.73 4.68 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 46 E 8.09 4.01 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.14 0.00 47 Q 7.86 4.41 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 5.68 0.00 0.00 0.00 0.00 0.00 2.22 2.14 0.00 *48 H 9.15 4.65 0.00 3.11 3.17 0.00 7.20 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 49 N 8.04 4.39 0.00 2.73 2.68 0.00 0.00 6.51 7.79 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 50 L 8.31 4.22 0.00 1.65 1.56 0.92 0.78 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 51 V 8.34 3.89 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 0.86 0.00 0.00 0.93 0.00 0.00 52 K 8.44 5.40 0.00 1.74 1.65 0.00 1.66 0.00 0.00 2.40 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 0.93 7.81 53 K 8.42 4.54 0.00 1.77 1.70 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.00 7.81 54 G 7.97 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 55 P 0.00 5.51 0.00 1.81 1.81 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.55 0.00 56 V 9.01 4.19 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 0.63 0.00 0.00 0.93 0.00 0.00 57 R 8.62 4.63 0.00 1.59 1.75 0.00 3.22 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.20 0.00 58 L 8.26 4.39 0.00 1.41 1.58 0.92 0.99 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 59 P 0.00 4.37 0.00 2.19 2.21 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.53 0.00 60 T 8.28 4.13 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 61 K 8.76 4.24 0.00 1.42 1.73 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.26 7.81 62 V 8.42 4.55 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 0.89 0.00 0.00 0.93 0.00 0.00 63 L 8.30 4.28 0.00 1.33 1.58 0.92 0.49 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 64 K 8.72 4.98 0.00 1.47 1.55 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.24 0.98 7.81 65 I 8.75 4.42 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 1.09 0.65 0.91 0.00 0.00 66 S 8.57 5.00 0.00 3.38 3.66 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 0.00 0.00 0.00 67 T 9.00 4.17 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 68 R 9.05 4.08 0.00 1.58 1.79 0.00 3.22 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 1.56 1.25 0.00 69 K 8.80 4.32 0.00 1.55 1.61 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.26 7.81 70 T 8.75 3.34 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 71 P 0.00 4.43 0.00 2.08 1.89 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.61 0.00 72 N 9.19 4.71 0.00 2.79 2.91 0.00 0.00 6.41 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.61 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 0.00 0.00 0.00 74 E 7.86 4.12 0.00 1.91 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 2.31 1.88 0.00 75 G 8.60 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 76 S 9.37 4.42 0.00 3.73 4.03 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 77 K 7.87 4.05 0.00 1.84 2.02 0.00 1.88 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 1.24 7.81 78 T 7.92 3.39 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 *79 W 8.05 3.37 0.00 2.69 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.44 4.84 0.00 1.62 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 2.21 1.85 0.00 81 T 8.66 4.77 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 *82 Y 8.81 4.61 0.00 2.00 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 0.00 0.00 0.00 0.00 83 E 8.29 5.01 0.00 1.93 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.82 0.00 84 M 7.59 4.82 0.00 1.81 1.87 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.16 0.00 85 R 8.49 4.36 0.00 1.59 1.77 0.00 3.22 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.20 0.00 86 I 8.48 4.30 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 1.09 0.56 0.91 0.00 0.00 *87 H 8.76 5.11 0.00 2.60 2.94 0.00 7.21 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.35 4.57 0.00 1.39 1.67 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.80 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.33 0.98 7.81 89 R 8.93 5.12 0.00 1.48 1.80 0.00 3.18 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 0.00 *90 Y 9.07 4.80 0.00 1.91 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 0.00 0.00 0.00 91 I 8.81 5.29 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 1.08 1.63 0.91 0.00 0.00 92 D 8.47 5.14 0.00 2.34 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 93 L 8.85 4.19 0.00 1.66 1.33 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 94 E 9.07 4.70 0.00 1.93 1.69 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 0.00 2.11 1.83 0.00 95 A 8.50 5.09 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 96 P 0.00 4.24 0.00 2.27 2.05 0.00 3.90 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.57 0.00 97 V 7.74 3.28 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 0.64 0.00 0.00 0.93 0.00 0.00 98 Q 8.96 4.09 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.81 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 99 I 7.80 4.57 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 1.16 1.24 0.91 0.00 0.00 100 V 7.70 4.26 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 0.90 0.00 0.00 0.93 0.00 0.00 101 K 9.45 3.81 0.00 1.93 1.70 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 0.98 7.81 102 R 8.86 4.26 0.00 1.90 2.05 0.00 3.22 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.18 0.00 103 I 7.82 3.98 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 1.27 1.10 0.91 0.00 0.00 104 T 7.69 4.29 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 0.00 105 Q 8.78 3.57 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.79 0.00 0.00 0.00 0.00 0.00 2.16 1.91 0.00 106 I 7.50 4.62 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 1.27 1.23 0.91 0.00 0.00 107 T 9.50 3.60 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 0.00 108 I 7.86 4.19 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 1.27 0.85 0.91 0.00 0.00 109 E 8.74 3.99 0.00 1.98 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 2.23 1.89 0.00 110 P 0.00 4.32 0.00 2.08 1.87 0.00 3.72 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 1.94 1.59 0.00 111 G 9.91 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.32 4.29 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 0.75 0.00 0.00 0.93 0.00 0.00 113 D 8.33 4.16 0.00 2.72 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 0.00 114 V 8.23 4.62 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 0.89 0.00 0.00 0.93 0.00 0.00 115 E 8.31 4.83 0.00 1.83 1.77 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 2.21 1.87 0.00 116 V 8.07 4.43 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 0.69 0.00 0.00 0.93 0.00 0.00 117 V 8.36 3.94 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 0.81 0.00 0.00 0.93 0.00 0.00 118 V 7.21 3.25 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 0.81 0.00 0.00 0.93 0.00 0.00 119 A 8.15 4.86 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 0.00 120 S 8.42 4.35 0.00 3.59 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.