NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.2431 8.4449 121.4677 54.9003 30.7939 175.3414 6 P 3.2463 0.0000 0.0000 59.6688 31.7572 174.1816 7 P 4.3249 0.0000 0.0000 62.2282 33.1657 175.6692 8 L 4.1621 7.8263 119.0598 54.0816 42.5173 176.9105 9 L 4.0971 8.1592 121.9493 53.9701 42.4403 175.4413 10 P 4.4549 0.0000 0.0000 62.6701 31.6120 176.5393 11 A 4.5636 9.0278 124.9345 55.3002 19.6671 177.6417 12 R 5.3050 8.0746 109.9868 55.0089 33.0901 174.4248 13 W 5.6754 9.1322 117.5124 55.9253 31.8575 173.3357 14 S 4.9081 9.1084 115.5801 57.4458 66.4962 172.5391 15 S 4.6582 7.6878 112.7141 57.0744 65.9731 174.7131 16 A 4.4816 8.7624 127.2748 52.2847 19.4338 176.0476 17 Y 5.0208 8.4248 116.8012 55.2086 42.2851 174.4921 18 V 4.5909 8.6739 119.7881 61.3612 34.8494 174.2966 19 S 5.2931 9.1382 124.1338 57.4074 66.2763 173.2093 20 Y 5.2111 7.6690 120.0802 56.6250 41.2027 173.0637 21 W 5.4313 9.0168 117.1996 55.6552 33.9359 174.9569 22 S 4.7673 9.2471 116.6960 55.8967 64.7051 172.0930 23 P 4.6415 0.0000 0.0000 62.8039 31.8833 176.0623 24 M 4.4649 8.3929 119.4951 54.2811 31.8125 176.5221 25 L 4.3566 9.3031 125.0213 53.3199 42.7691 176.5879 26 P 4.2066 0.0000 0.0000 65.8395 31.2509 177.1702 27 D 4.6669 7.8805 113.8880 53.3866 39.9308 176.2174 28 D 4.4811 7.9010 120.5657 54.5706 41.4483 175.5838 29 Q 4.6328 8.5596 120.9871 54.3052 30.7034 174.7158 30 L 4.9939 8.4487 123.9230 53.9342 43.3058 175.4090 31 T 4.9934 9.0277 116.1661 59.9553 72.5683 172.7371 32 S 4.6632 8.1957 115.3503 57.1107 66.4008 173.9742 33 G 3.8225 7.2434 106.8014 46.4715 0.0000 171.4745 34 Y 5.2488 8.7442 122.6900 56.3571 42.9044 174.8091 35 C 5.4764 8.2816 119.3816 56.5876 33.9831 172.7280 36 W 5.5117 9.2523 119.0797 55.1507 33.4144 174.2007 37 F 4.4967 9.4350 122.5018 55.5322 42.3061 173.5020 38 D 4.8243 8.6312 123.2149 52.5187 42.8247 175.6649 39 Y 4.3760 8.8359 124.9733 60.2852 38.4483 178.4639 40 E 4.0214 8.4236 120.1493 59.0751 29.8613 177.6618 41 R 3.9790 7.9815 114.9970 56.2276 31.2393 175.4482 42 D 4.4068 7.7623 117.2904 54.6370 40.0328 171.9825 43 I 4.9954 7.3644 118.3707 59.8966 42.4358 173.8591 44 C 5.0896 8.7633 120.8751 56.7948 33.6457 172.5388 45 R 5.2444 8.9715 119.0108 54.9671 33.8675 173.5647 46 I 5.1786 9.2540 125.1373 59.6325 41.8375 173.1916 47 D 5.3835 9.5114 129.7521 52.9425 43.6759 175.7411 48 G 4.4705 8.1397 110.1314 45.6847 0.0000 171.7638 49 L 4.9390 8.8120 120.3880 54.6174 42.0829 177.4936 50 F 4.3467 9.7037 128.0739 58.3047 40.2306 174.1473 51 N 4.9277 7.4734 123.7117 51.6856 41.3088 171.8674 52 P 4.6510 0.0000 0.0000 62.0126 33.9869 173.6497 *58 T 3.9940 8.0939 112.1268 62.8621 68.0226 174.5264 59 G 4.1511 8.2565 109.8760 45.3160 0.0000 172.2968 60 Y 5.1469 7.1525 115.9162 55.7766 41.1838 173.9044 61 R 4.8795 9.5091 119.5766 54.5952 33.1601 174.9606 62 L 5.3196 8.7408 124.1700 53.2757 44.6565 174.6116 63 W 5.3089 9.4445 135.0000 56.5422 32.7769 174.5047 64 M 4.6032 7.7235 124.9124 53.6591 36.0110 173.2746 65 S 4.8472 7.9480 119.4164 56.3670 65.1865 172.0085 66 E 5.0556 9.3089 128.8609 54.3449 32.2238 174.5122 67 V 4.7652 9.3164 127.4168 61.3150 34.0671 174.3503 68 G 3.2439 8.8627 116.9197 44.2527 0.0000 171.2682 69 N 5.1666 8.4656 126.1341 51.7098 39.6930 174.8790 70 A 4.3970 8.7380 128.4968 54.1404 18.5768 178.5387 71 A 4.0953 8.1568 118.1955 54.1483 18.6177 178.4008 72 S 4.5155 8.2238 108.4961 57.6115 64.8149 175.0511 73 G 4.0068 8.6326 109.2224 45.9552 0.0000 172.5839 74 R 5.0265 7.8495 117.1835 54.3560 34.6458 174.2628 75 T 4.6954 8.8173 117.3024 60.0619 70.2129 172.7811 76 W 5.2757 9.0027 135.0000 55.4878 34.2576 174.0857 77 K 4.5029 8.3922 125.6199 54.3863 35.2664 174.7464 78 Q 4.5357 8.0135 126.5182 54.3633 31.2664 174.3911 79 K 5.0914 8.3619 123.9224 54.6766 36.8094 175.1670 80 V 4.7470 9.2655 123.6324 61.0638 34.7893 173.9878 81 A 4.6396 9.0912 130.6966 51.2662 20.5452 175.6362 82 Y 4.7513 9.6949 120.7611 56.3613 39.8590 175.2934 83 G 4.5616 8.7630 112.0756 44.8574 0.0000 170.9001 84 R 5.1242 8.4919 119.9332 54.9790 31.4836 175.6360 85 E 4.7982 9.5289 123.9045 54.4160 33.5195 174.4483 86 R 4.8425 8.5347 123.6282 55.3798 31.5712 174.7966 87 T 4.4415 7.9733 118.6121 64.7936 72.9652 176.2534 *90 G 3.9568 7.4928 110.3221 45.5470 0.0000 171.7416 91 E 4.6748 8.6849 123.3652 56.3293 30.6010 175.9268 92 Q 4.7280 8.9906 121.0001 54.0390 33.4343 174.3811 93 L 4.7983 8.6208 122.0244 54.7498 43.1245 176.1222 94 C 4.7276 9.6769 122.3590 57.8602 30.4266 172.7480 95 E 4.1139 8.7001 125.9596 55.6110 30.2919 175.9088 96 R 4.4228 8.6320 127.2443 54.2089 33.3225 172.5880 97 P 4.8455 0.0000 0.0000 62.5131 32.3582 175.4053 98 L 4.7930 7.9657 121.2899 52.3899 45.0414 176.2866 99 D 4.4250 8.5653 119.8405 54.6459 41.2708 176.7108 100 D 4.5185 8.4186 122.2613 54.7307 41.8360 175.3176 101 E 4.7431 8.5780 120.7911 54.9471 33.5202 174.2859 102 T 5.4099 7.7887 120.0542 61.2911 72.8494 173.2641 103 G 4.1631 8.1871 109.2987 45.0512 0.0000 170.4430 104 P 4.9916 0.0000 0.0000 63.6410 32.2266 176.1863 105 F 4.6535 8.3380 122.1268 57.8117 42.7866 172.9199 *108 L 4.4013 8.3613 116.8504 54.6018 42.6199 177.0974 109 F 4.3081 9.2184 119.3781 59.8847 39.0295 175.3751 110 L 4.7197 8.1335 119.8000 51.8851 42.0595 174.3760 111 P 4.5461 0.0000 0.0000 61.9238 32.2489 178.0213 112 R 3.0819 7.9850 120.7989 58.6074 30.1720 177.5927 113 D 4.8086 7.5476 115.1142 53.1050 40.0661 178.0457 114 V 3.3277 7.2218 114.5418 65.2120 31.4550 178.4253 115 L 3.6828 7.4082 117.9142 57.4877 41.2147 179.4517 116 R 3.9518 7.4855 114.5538 58.4775 29.9146 178.4143 117 R 4.0770 8.0740 116.6382 57.8695 29.6498 177.1346 118 L 4.5317 7.9695 118.4749 54.0313 42.2519 176.4657 119 G 3.9798 8.2206 104.3744 45.9296 0.0000 174.1995 120 A 4.5715 7.8141 119.0654 52.3060 19.7703 178.2562 121 R 4.5685 9.1644 121.5750 54.6684 32.3461 174.7776 122 H 3.5773 8.8320 126.4281 56.0843 29.5499 174.7250 123 I 3.9129 7.7389 127.3156 60.0618 38.2205 176.2752 124 G 3.8992 8.2109 108.8950 46.8989 0.0000 171.5044 125 R 5.0700 8.4101 118.8054 54.9616 31.3247 176.1904 126 R 4.5940 8.5365 124.6287 54.3563 32.9274 175.0121 127 V 4.3502 8.2661 125.6735 62.3807 32.3517 175.2653 128 V 4.1949 8.7831 128.3040 61.9799 33.6600 175.3508 129 L 3.6206 9.5409 127.6126 55.9918 39.0131 175.6349 130 G 3.9518 8.4023 103.8147 45.6392 0.0000 173.7816 131 R 4.7320 7.7098 119.0812 53.7823 33.5673 175.2148 132 E 4.4294 8.8555 122.4938 56.6068 30.7553 175.6020 133 A 5.2009 9.1650 126.6262 50.1116 22.1017 174.5227 134 D 4.7046 9.5702 122.8913 53.6947 42.5800 175.7735 135 G 3.8045 8.0840 110.4447 44.7178 0.0000 172.4839 136 W 4.9788 8.7794 125.5755 55.0528 31.8581 174.4801 137 R 4.9420 8.6175 126.4479 55.1252 31.6261 174.6038 138 Y 5.2295 7.7696 122.1207 55.5890 41.7633 174.0583 139 Q 4.0438 8.8278 119.1748 56.3266 30.8873 174.6329 *144 G 3.9154 8.9960 108.9232 44.5942 0.0000 172.1067 145 P 5.2630 0.0000 0.0000 61.9704 35.4556 174.9558 146 S 4.8089 7.5723 111.3419 58.4123 66.7417 173.9409 147 T 4.5696 9.2651 116.2135 60.3200 71.0781 172.0096 148 L 5.1817 8.8149 130.1572 53.5719 45.0100 174.2922 149 Y 5.1390 9.3964 124.6581 56.6660 39.9234 174.5832 150 L 5.1677 8.9761 124.6514 52.4079 45.1329 175.4625 151 D 4.8063 9.1648 122.9823 54.9260 41.4548 177.1111 152 A 4.3041 9.2996 128.2201 54.0978 18.4854 178.3866 153 A 4.2944 8.7717 118.4922 54.1788 19.4837 178.5613 154 S 4.4357 8.2799 107.0358 57.8142 64.1179 175.2803 155 G 3.8903 8.4223 109.3587 45.6809 0.0000 173.5120 156 T 4.0694 7.2149 109.2000 59.9744 70.4890 172.6867 157 P 4.4454 0.0000 0.0000 63.1721 31.4739 175.6406 158 L 4.7993 9.3703 122.8666 55.9905 44.9938 176.7323 159 R 5.0836 8.0338 117.6426 55.1158 33.9551 173.1302 160 M 5.1367 9.2925 126.5064 53.8413 34.7919 174.2765 161 V 4.6181 9.1599 126.7057 61.5204 34.2769 174.2863 162 T 4.4780 8.7918 125.8762 65.1995 70.2791 173.1145 163 G 3.8347 8.1774 115.0114 44.0621 0.0000 172.1067 *167 S 4.2053 8.1596 108.4084 58.1262 63.3287 174.5300 168 R 4.8072 7.7890 119.1894 54.8571 32.1324 174.5326 169 A 5.0079 8.6405 124.8884 50.5072 23.1930 174.9328 170 S 3.5688 8.6372 116.0756 57.0325 64.0635 172.9018 171 L 4.8126 7.8580 126.3769 52.6873 44.8892 175.4709 172 R 4.6644 8.5352 122.5525 54.7189 33.2478 173.4523 173 D 5.0524 8.9793 126.5372 52.8003 43.7382 175.7310 174 F 5.6372 9.0607 121.0016 54.1001 39.5664 173.2802 175 P 4.5170 0.0000 0.0000 64.3403 32.4208 176.9895 176 N 5.1409 7.6362 115.7418 51.5109 36.0990 175.5735 177 V 4.0756 7.9549 118.2537 64.2475 32.9094 175.5933 178 S 4.8522 9.7435 122.5032 56.3792 65.1791 173.9050 179 E 5.0035 8.9982 123.6964 55.3649 29.7316 176.1326 180 A 4.2843 7.7638 122.0323 51.3833 19.0392 178.0013 181 E 4.0047 8.7053 120.3582 56.8549 30.0521 176.4444 182 I 4.4779 8.1848 125.9657 58.8254 38.9867 174.0610 183 P 4.4406 0.0000 0.0000 62.2720 32.1973 176.9045 184 D 4.4398 8.9792 121.3325 57.9287 40.6756 179.2939 185 A 3.8687 7.9651 120.2641 55.0681 17.9842 179.4859 186 V 2.9662 7.1047 115.9815 65.1672 31.2958 177.2925 187 F 4.7384 7.3372 114.1315 57.0802 39.2932 176.6532 188 A 3.9411 7.5333 123.7077 54.7530 18.4836 178.3121 189 A 3.5371 7.5139 122.3971 52.2699 18.2364 177.1072 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 5 E 8.44 4.24 0.00 1.89 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 2.07 2.28 0.00 6 P 0.00 3.25 0.00 1.66 0.88 0.00 3.56 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 7 P 0.00 4.32 0.00 1.98 1.89 0.00 2.20 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.79 0.00 8 L 7.83 4.16 0.00 1.44 1.48 0.84 0.82 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 9 L 8.16 4.10 0.00 1.39 1.64 0.73 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.45 0.00 2.30 2.27 0.00 3.44 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 1.81 2.00 0.00 11 A 9.03 4.56 1.40 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 0.00 0.00 12 R 8.07 5.30 0.00 1.96 2.08 0.00 3.12 0.00 0.00 3.48 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 13 W 9.13 5.68 0.00 3.44 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 14 S 9.11 4.91 0.00 3.66 4.06 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 0.00 0.00 0.00 15 S 7.69 4.66 0.00 4.11 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 16 A 8.76 4.48 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 17 Y 8.42 5.02 0.00 2.90 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 18 V 8.67 4.59 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 0.99 0.00 0.00 0.88 0.00 0.00 19 S 9.14 5.29 0.00 3.88 3.54 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 20 Y 7.67 5.21 0.00 3.08 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 21 W 9.02 5.43 0.00 3.29 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 22 S 9.25 4.77 0.00 3.87 3.69 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 0.00 0.00 0.00 23 P 0.00 4.64 0.00 2.26 2.08 0.00 3.88 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 2.02 2.01 0.00 24 M 8.39 4.46 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.86 0.00 25 L 9.30 4.36 0.00 1.78 1.54 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.21 0.00 2.03 2.14 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 27 D 7.88 4.67 0.00 2.73 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 28 D 7.90 4.48 0.00 2.92 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 29 Q 8.56 4.63 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 30 L 8.45 4.99 0.00 1.65 1.58 0.77 0.79 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 31 T 9.03 4.99 4.31 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 1.31 0.00 0.00 32 S 8.20 4.66 0.00 3.64 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.24 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 34 Y 8.74 5.25 0.00 3.00 2.51 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 0.00 0.00 0.00 0.00 35 C 8.28 5.48 0.00 3.02 3.02 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 36 W 9.25 5.51 0.00 3.13 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 37 F 9.44 4.50 0.00 1.63 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 0.00 0.00 0.00 38 D 8.63 4.82 0.00 2.76 2.21 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 39 Y 8.84 4.38 0.00 3.25 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 40 E 8.42 4.02 0.00 1.97 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 2.32 2.42 0.00 41 R 7.98 3.98 0.00 1.67 1.75 0.00 3.30 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 42 D 7.76 4.41 0.00 2.93 2.69 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 0.00 0.00 0.00 43 I 7.36 5.00 1.50 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 0.60 1.27 -0.39 0.00 0.00 44 C 8.76 5.09 0.00 1.92 2.46 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 45 R 8.97 5.24 0.00 1.96 1.88 0.00 2.87 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.84 0.00 46 I 9.25 5.18 1.83 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.52 0.87 0.00 0.00 47 D 9.51 5.38 0.00 3.10 3.01 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 0.00 0.00 0.00 48 G 8.14 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.81 4.94 0.00 1.69 1.80 0.98 1.01 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 50 F 9.70 4.35 0.00 3.00 3.06 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 0.00 0.00 0.00 51 N 7.47 4.93 0.00 2.72 2.54 0.00 0.00 7.09 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 52 P 0.00 4.65 0.00 2.22 2.07 0.00 3.85 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 *58 T 8.09 3.99 4.06 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 0.00 0.00 0.66 0.00 0.00 59 G 8.26 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.15 5.15 0.00 3.02 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 61 R 9.51 4.88 0.00 1.94 2.05 0.00 3.15 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 62 L 8.74 5.32 0.00 2.07 1.74 1.07 0.79 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 63 W 9.44 5.31 0.00 3.67 3.31 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 64 M 7.72 4.60 0.00 1.93 1.63 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 65 S 7.95 4.85 0.00 3.87 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 66 E 9.31 5.06 0.00 2.02 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.58 0.00 75 T 8.82 4.70 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 1.30 0.00 0.00 76 W 9.00 5.28 0.00 3.34 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 77 K 8.39 4.50 0.00 1.31 1.32 0.00 1.58 0.00 0.00 1.43 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.21 1.19 7.81 78 Q 8.01 4.54 0.00 1.58 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 79 K 8.36 5.09 0.00 1.60 1.57 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.65 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.23 1.19 7.81 80 V 9.27 4.75 2.38 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 0.67 0.00 0.00 1.09 0.00 0.00 81 A 9.09 4.64 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 82 Y 9.69 4.75 0.00 3.10 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 83 G 8.76 4.56 0.00 0.00 0.00 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0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 94 C 9.68 4.73 0.00 2.75 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 95 E 8.70 4.11 0.00 1.87 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 1.79 2.07 0.00 96 R 8.63 4.42 0.00 1.67 1.48 0.00 3.07 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.51 0.00 97 P 0.00 4.85 0.00 1.94 1.94 0.00 3.59 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.16 0.00 98 L 7.97 4.79 0.00 1.44 1.48 0.77 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.57 4.42 0.00 2.63 2.59 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 0.00 100 D 8.42 4.52 0.00 2.59 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 E 8.58 4.74 0.00 1.88 1.55 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 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0.00 0.76 1.50 0.00 3.14 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.76 0.00 113 D 7.55 4.81 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.22 3.33 1.47 0.00 0.00 0.00 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 0.70 0.00 0.00 115 L 7.41 3.68 0.00 1.39 1.15 0.69 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.49 3.95 0.00 2.01 1.85 0.00 2.89 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.52 0.00 117 R 8.07 4.08 0.00 1.85 2.13 0.00 3.02 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 118 L 7.97 4.53 0.00 1.45 1.75 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.22 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 0.00 0.00 0.00 0.00 120 A 7.81 4.57 1.49 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 137 R 8.62 4.94 0.00 1.82 1.75 0.00 3.04 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.40 0.00 138 Y 7.77 5.23 0.00 3.15 3.01 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 0.00 0.00 0.00 139 Q 8.83 4.04 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 *144 G 9.00 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 0.00 145 P 0.00 5.26 0.00 1.96 2.12 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 146 S 7.57 4.81 0.00 3.79 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 0.00 147 T 9.27 4.57 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 1.15 0.00 0.00 148 L 8.81 5.18 0.00 1.99 1.64 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 9.40 5.14 0.00 3.09 2.89 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 0.00 0.00 0.00 150 L 8.98 5.17 0.00 1.83 1.63 0.82 0.77 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 0.00 151 D 9.16 4.81 0.00 2.68 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 0.00 152 A 9.30 4.30 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.77 4.29 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 0.00 154 S 8.28 4.44 0.00 3.99 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 0.00 155 G 8.42 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 156 T 7.21 4.07 4.06 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 0.00 0.00 1.17 0.00 0.00 157 P 0.00 4.45 0.00 0.57 1.33 0.00 2.47 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.14 0.00 158 L 9.37 4.80 0.00 1.84 1.73 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 159 R 8.03 5.08 0.00 1.82 1.78 0.00 2.82 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 160 M 9.29 5.14 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 161 V 9.16 4.62 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 0.93 0.00 0.00 1.04 0.00 0.00 162 T 8.79 4.48 4.15 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 0.00 0.00 0.00 1.23 0.00 0.00 163 G 8.18 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 0.00 0.00 0.00 *167 S 8.16 4.21 0.00 3.88 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 0.00 168 R 7.79 4.81 0.00 1.82 1.84 0.00 3.35 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.00 169 A 8.64 5.01 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 0.00 170 S 8.64 3.57 0.00 2.86 3.31 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 0.00 171 L 7.86 4.81 0.00 0.27 0.65 0.76 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 172 R 8.54 4.66 0.00 1.52 1.47 0.00 3.05 0.00 0.00 2.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.33 0.00 173 D 8.98 5.05 0.00 2.58 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 F 9.06 5.64 0.00 3.07 3.06 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 0.00 0.00 0.00 175 P 0.00 4.52 0.00 2.21 2.19 0.00 4.01 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 176 N 7.64 5.14 0.00 2.82 2.89 0.00 0.00 6.87 7.55 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 0.00 177 V 7.95 4.08 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 0.89 0.00 0.00 1.02 0.00 0.00 178 S 9.74 4.85 0.00 3.98 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 0.00 179 E 9.00 5.00 0.00 2.06 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 0.00 2.49 2.33 0.00 180 A 7.76 4.28 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 0.00 181 E 8.71 4.00 0.00 1.99 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 2.36 2.41 0.00 182 I 8.18 4.48 2.09 0.00 0.00 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 1.69 1.08 0.76 0.00 0.00 183 P 0.00 4.44 0.00 2.08 1.93 0.00 3.56 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 184 D 8.98 4.44 0.00 2.69 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 0.00 185 A 7.97 3.87 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 0.00 186 V 7.10 2.97 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 -1.22 0.00 0.00 0.41 0.00 0.00 187 F 7.34 4.74 0.00 2.95 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 0.00 188 A 7.53 3.94 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 189 A 7.51 3.54 -0.02 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.