NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *37 Y 4.3271 8.1449 121.0407 56.8751 39.3976 174.8905 38 F 4.6843 8.0983 123.6882 54.9137 40.3015 173.8393 39 G 4.1673 9.0216 112.0596 45.3077 0.0000 172.2770 40 K 3.4899 8.6628 124.5136 57.1077 31.9804 176.3881 41 L 4.4371 8.8833 127.5583 56.8196 42.8557 176.5846 42 E 4.7109 7.6039 115.4391 55.4126 34.5505 174.8441 43 S 4.7488 8.4190 116.0220 57.3866 64.9197 173.1179 44 K 4.6586 8.9835 127.6526 54.2747 35.0979 175.8630 45 L 4.6543 8.5411 125.5690 54.9408 42.9792 176.2892 46 S 5.2164 9.2346 118.8805 57.0681 67.9293 172.9550 47 V 4.7460 8.8392 123.6719 61.4382 33.6252 174.3573 48 I 5.0529 8.5189 127.7750 59.6783 39.8539 174.5644 49 R 5.4136 9.1395 125.9855 54.6237 33.7890 175.7914 50 N 4.8058 8.9021 120.7688 51.4563 39.8900 175.3734 51 L 3.8023 8.2343 117.7055 58.6501 40.3065 177.3606 52 N 4.6614 8.3332 115.8048 52.7239 38.5774 175.2106 53 D 4.5524 7.9735 115.4608 55.2820 39.1480 173.9100 54 Q 4.4338 7.4856 118.8398 55.6535 30.3714 175.2071 55 V 4.7227 8.7288 123.0780 61.8513 33.4601 174.9688 56 L 4.3728 9.0932 130.7455 55.0721 43.1807 175.5112 57 F 5.5443 8.9726 119.9272 55.7393 42.0609 172.6154 58 I 4.7776 8.4622 120.9178 59.6184 38.9711 175.5253 59 D 4.9846 8.7311 129.7203 52.3016 40.8577 177.1159 60 Q 4.0642 8.7142 117.3589 58.4462 28.6723 177.6486 61 G 3.9247 8.2527 105.2839 44.9827 0.0000 173.3640 62 N 4.2060 8.3398 115.1039 53.7799 36.7081 173.9069 63 R 4.3665 8.4160 119.6563 54.6106 31.2047 173.4787 64 P 4.9482 0.0000 0.0000 62.7008 32.5376 175.1202 65 L 5.0535 8.2033 123.7518 52.5976 46.2504 175.2686 66 F 5.6946 9.2782 118.5121 56.2385 42.0516 174.9932 67 E 4.9566 9.3495 120.0788 54.6201 34.5110 174.4585 68 D 4.7053 8.6600 122.2455 55.0370 41.4132 176.1249 69 M 4.8449 8.3565 122.1460 53.0191 36.3136 175.4523 70 T 4.2079 8.7872 114.3294 61.3716 71.0614 175.4292 71 D 4.3605 8.5897 120.9290 57.4442 40.6448 179.1420 72 S 4.0489 7.9811 113.1709 61.5573 62.5800 175.6108 73 D 4.3125 8.1527 121.3409 57.5016 40.3260 178.7940 74 A 4.0374 7.9918 120.2132 55.1242 18.6403 179.7024 75 R 4.0182 7.8827 116.3339 59.4645 30.0352 178.5380 76 D 4.4229 7.9903 117.6741 57.3553 41.3042 177.6032 77 N 4.5844 8.1354 113.8778 52.9979 38.9761 175.0784 78 A 4.3271 7.6121 122.2816 51.7275 18.9457 175.9774 79 P 4.5427 0.0000 0.0000 63.0869 31.9437 178.0795 80 R 3.9485 7.9475 119.2089 58.3717 30.1247 177.7158 81 T 4.8461 7.6090 105.4167 60.3944 69.4647 173.6645 82 I 4.5419 7.1030 123.7217 59.9106 38.8805 174.9027 83 F 4.7633 9.3114 126.6561 55.6120 41.9948 174.8751 84 I 4.6453 9.1265 124.8096 60.2250 38.7784 174.9388 85 I 4.8335 8.8169 129.8394 60.1294 38.5726 174.9436 86 S 5.0437 8.9298 124.5817 57.2625 64.7925 173.3806 87 M 4.9919 8.7006 124.7384 54.0793 33.6648 176.2599 88 Y 4.5653 8.6119 119.6449 58.6717 41.3161 176.2622 89 K 4.1819 7.5389 115.9601 55.5459 35.6818 173.8213 90 D 4.8289 8.8994 127.5795 54.2901 42.4800 176.5121 91 S 4.7115 9.1052 123.7770 57.4879 63.5619 174.2147 92 Q 4.5294 7.9062 118.2575 54.7025 29.6473 175.5471 93 P 4.3784 0.0000 0.0000 65.7966 31.7691 178.0645 94 R 3.8791 7.6114 117.1105 57.8590 30.5820 176.9306 95 G 3.7823 6.7074 103.8973 44.7559 0.0000 170.4126 96 M 4.9238 8.6864 121.2783 54.1946 33.9839 176.5473 97 A 4.3153 9.2798 129.1352 52.0616 19.4759 176.7228 98 V 5.3258 9.1675 115.8989 60.1249 36.6923 174.8581 99 T 5.2713 9.1459 112.1611 60.1544 72.3396 173.1116 100 I 5.0336 8.3483 122.5924 59.9260 40.1848 174.7515 101 S 5.5404 9.4944 123.1362 56.7168 67.4190 173.5349 102 V 4.5244 8.8639 120.2564 59.8433 35.0343 174.6034 103 K 4.7757 8.5076 122.8700 54.8426 35.0639 174.8661 104 A 4.4241 8.4916 129.1696 52.4915 18.7307 178.1752 105 E 4.1535 9.3281 123.6691 58.8406 30.4026 176.0601 106 K 4.5854 7.4453 116.5092 55.3046 36.0851 174.3107 107 I 4.7585 8.1025 119.7354 60.4304 38.5363 175.3983 108 S 5.2767 8.9602 122.5275 56.9909 67.0973 173.1513 109 T 5.1948 9.0105 118.6659 61.5515 72.0965 173.2237 110 L 4.4971 9.2080 128.9637 55.1048 43.5029 175.4630 111 S 5.0151 9.4454 120.6102 56.3707 65.7519 173.8459 112 A 4.5773 8.6542 128.1371 51.6982 19.4504 176.2516 113 E 4.5119 7.8827 118.9936 58.1437 30.0064 176.9510 114 N 4.1548 9.6662 120.4943 53.8535 36.1445 174.2701 115 K 3.4031 7.3286 114.4066 57.1290 29.9475 175.4705 116 I 4.4809 7.3071 118.5187 59.2142 39.6817 175.6197 117 I 4.3246 8.3051 126.9324 61.4952 37.7870 175.5275 118 S 4.5648 8.7510 119.5989 57.0403 66.9571 172.8352 119 F 5.0641 8.5927 119.9961 56.7299 39.8444 175.0014 120 K 4.5335 9.3046 126.0086 54.4987 34.4067 175.0164 121 E 4.6334 8.9519 128.5033 56.9550 29.2830 175.1981 122 M 4.5189 7.8875 121.0393 54.6361 34.3081 174.7367 123 N 4.6807 8.8738 118.1794 51.8892 39.7199 173.5439 124 P 4.4636 0.0000 0.0000 61.9742 31.9847 174.6560 125 P 4.4946 0.0000 0.0000 62.9054 32.1844 176.1282 126 D 4.7058 8.7863 120.2662 57.4001 41.9627 176.0863 127 N 5.7859 8.1333 114.2373 51.6374 43.4451 173.6345 128 I 4.5823 8.7240 116.4460 58.8033 39.8880 177.0365 129 K 3.9829 8.8429 123.9429 59.5822 32.8906 175.7936 130 D 4.8216 7.5843 116.8046 53.6304 41.3975 174.8482 131 T 4.4560 8.5385 106.8591 61.7470 68.8781 175.4227 132 K 4.3459 8.3164 120.4851 56.5387 32.9113 177.3039 133 S 4.1992 7.5768 114.2812 57.8792 62.8172 174.4954 134 D 4.4015 8.7195 124.2661 56.0549 40.7024 177.9264 135 I 4.4908 7.1617 110.1257 60.6655 38.4085 175.5360 136 I 4.3944 7.3384 123.8284 60.3199 38.7812 174.8062 137 F 4.9720 9.0287 124.6166 55.5962 43.2887 174.2114 138 F 5.1275 9.3029 121.5675 56.3077 40.4092 174.7039 139 Q 4.6869 9.3882 127.3376 55.0910 30.4589 174.7514 140 R 5.0818 8.6426 122.2857 54.4845 33.2413 174.6198 141 S 4.7442 8.6482 116.5131 57.8805 64.4193 174.0069 142 V 3.6667 8.8356 123.0911 62.4433 32.3801 173.6528 143 P 4.3121 0.0000 0.0000 64.6806 31.4883 176.4513 144 G 3.9955 9.3427 111.9511 45.4253 0.0000 173.0577 145 H 4.7542 8.2161 116.9186 53.5868 29.0537 173.7269 146 D 4.4787 8.4474 123.0150 56.2639 41.1184 177.1046 147 N 4.7832 8.1107 114.4554 52.7419 39.2621 174.0928 148 K 4.6773 8.0515 119.9986 55.1895 33.9668 175.2388 149 M 5.0144 9.2687 125.5258 53.7131 34.8063 175.2445 150 Q 5.2788 9.1437 121.0025 54.3168 32.9874 175.0089 151 F 5.2950 9.1199 119.4977 55.8839 42.0286 172.9682 152 E 4.1449 9.2860 126.0686 54.3583 30.9440 175.3571 153 S 3.9825 8.8105 122.9716 58.8838 62.6917 173.9873 154 S 4.5761 8.6289 122.8707 61.6652 62.6012 176.4625 155 S 4.0565 7.9393 113.4849 60.0956 63.4390 172.5526 156 Y 4.6478 7.4732 119.1712 54.7457 37.9532 173.0845 157 E 4.0786 8.3899 123.1652 57.7790 30.3919 177.3948 158 G 4.1307 9.4507 113.4252 45.4549 0.0000 171.7687 159 Y 5.3110 7.9953 117.5881 56.4128 40.6951 174.9053 160 F 5.4703 9.6089 120.5730 55.3746 44.0830 174.1992 161 L 4.6890 9.0881 121.1637 55.9153 42.5792 176.3340 162 A 5.1855 9.3778 123.0623 50.7118 23.3230 174.4729 163 A 5.2398 8.6048 121.6264 50.5750 20.7425 176.6305 164 E 4.6722 9.2191 122.5922 54.2123 33.6840 174.1371 165 K 4.3138 8.7911 128.3339 55.9878 33.1470 175.4751 166 E 4.5086 8.9530 128.8241 55.0116 32.7787 176.9600 167 R 3.7417 8.5247 127.0852 57.7983 29.1971 178.6985 168 D 4.5070 9.1151 127.9613 55.9957 41.7792 176.1331 169 L 4.6218 7.8327 119.4799 53.1949 43.5289 175.1096 170 F 5.2304 8.7891 119.6612 55.9804 41.2325 174.7348 171 K 5.1012 9.2716 123.8283 54.2964 35.4009 175.2873 172 L 5.0533 8.3553 126.4421 54.9275 42.6564 175.8639 173 I 4.7600 9.0192 119.2516 59.0831 41.8320 173.4545 174 L 5.2093 8.4656 123.9405 53.4368 43.4843 175.2573 175 K 4.8019 9.2546 127.0620 54.1550 35.7846 175.0416 176 K 3.7689 8.6209 128.5110 55.9860 32.8789 175.9091 177 E 4.0131 9.0895 129.2424 56.4095 29.0278 175.8263 178 D 4.6393 8.4099 126.7125 55.2013 41.8873 176.3527 179 E 4.6613 7.3859 114.2538 54.9636 31.9096 174.8559 180 L 4.0421 8.2277 119.9456 55.7338 42.3110 177.0514 181 G 3.6649 8.4905 107.5661 46.4964 0.0000 173.4242 182 D 4.4492 7.7022 120.0672 52.9389 40.8369 177.1549 183 R 3.9300 8.3837 127.2833 58.6199 30.5467 179.3074 184 S 3.9751 8.2735 113.0477 60.2492 63.0389 175.4661 185 I 4.7738 7.1736 112.1798 60.0032 37.6034 174.7778 186 M 4.8395 7.3003 120.5742 54.0169 33.9333 175.3420 187 F 5.0869 9.0630 120.1448 56.1247 44.2884 173.6881 188 T 4.7848 9.0071 117.9281 62.5607 70.2947 174.1642 189 V 4.8037 8.5176 125.4612 61.4259 33.8436 174.3826 190 Q 4.6344 9.0365 128.3670 54.2741 30.4254 174.9556 191 N 4.9435 8.8226 123.4069 53.5755 40.1134 174.5019 192 E 4.3769 9.0878 124.3060 56.6311 30.3050 175.4143 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 *37 Y 8.14 4.33 0.00 2.12 2.28 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 38 F 8.10 4.68 0.00 3.09 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 39 G 9.02 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 0.00 0.00 0.00 0.00 40 K 8.66 3.49 0.00 1.86 1.67 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.20 0.69 7.81 41 L 8.88 4.44 0.00 1.57 1.67 0.95 1.06 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 42 E 7.60 4.71 0.00 1.83 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 2.28 2.28 0.00 43 S 8.42 4.75 0.00 3.78 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 44 K 8.98 4.66 0.00 1.74 1.70 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.38 7.81 45 L 8.54 4.65 0.00 1.62 1.60 0.91 0.84 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 46 S 9.23 5.22 0.00 3.88 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 47 V 8.84 4.75 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 1.20 0.00 0.00 1.00 0.00 0.00 48 I 8.52 5.05 1.71 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.64 0.81 0.00 0.00 49 R 9.14 5.41 0.00 1.83 1.86 0.00 3.23 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 50 N 8.90 4.81 0.00 2.26 2.18 0.00 0.00 6.71 6.34 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 51 L 8.23 3.80 0.00 1.61 1.76 0.84 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.33 4.66 0.00 2.59 2.70 0.00 0.00 6.89 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 53 D 7.97 4.55 0.00 2.81 2.76 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 0.00 0.00 0.00 54 Q 7.49 4.43 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 55 V 8.73 4.72 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 1.07 0.00 0.00 1.02 0.00 0.00 56 L 9.09 4.37 0.00 1.57 1.35 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.97 5.54 0.00 3.18 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 58 I 8.46 4.78 1.48 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.67 0.70 0.00 0.00 59 D 8.73 4.98 0.00 3.04 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 60 Q 8.71 4.06 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.35 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 61 G 8.25 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 62 N 8.34 4.21 0.00 2.91 3.01 0.00 0.00 6.79 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 63 R 8.42 4.37 0.00 1.85 2.07 0.00 3.07 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 64 P 0.00 4.95 0.00 1.83 1.87 0.00 3.62 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 1.85 1.49 0.00 65 L 8.20 5.05 0.00 0.36 1.47 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 66 F 9.28 5.69 0.00 2.97 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 67 E 9.35 4.96 0.00 1.99 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 2.47 2.80 0.00 68 D 8.66 4.71 0.00 2.56 2.60 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 69 M 8.36 4.84 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 70 T 8.79 4.21 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 D 8.59 4.36 0.00 2.72 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 72 S 7.98 4.05 0.00 3.88 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 73 D 8.15 4.31 0.00 2.93 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 74 A 7.99 4.04 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 75 R 7.88 4.02 0.00 1.96 1.97 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 76 D 7.99 4.42 0.00 2.81 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 77 N 8.14 4.58 0.00 2.74 2.72 0.00 0.00 6.91 7.41 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 78 A 7.61 4.33 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 79 P 0.00 4.54 0.00 2.33 2.20 0.00 3.64 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 1.96 1.91 0.00 80 R 7.95 3.95 0.00 2.05 2.26 0.00 3.08 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 81 T 7.61 4.85 4.33 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 1.26 0.00 0.00 82 I 7.10 4.54 1.72 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 0.87 0.86 0.00 0.00 83 F 9.31 4.76 0.00 3.00 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 84 I 9.13 4.65 1.90 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 0.58 0.93 0.00 0.00 85 I 8.82 4.83 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.73 1.04 0.00 0.00 86 S 8.93 5.04 0.00 3.92 3.61 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 0.00 87 M 8.70 4.99 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 88 Y 8.61 4.57 0.00 2.77 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 89 K 7.54 4.18 0.00 1.38 1.36 0.00 0.61 0.00 0.00 1.28 0.00 0.00 2.61 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.09 0.87 7.81 90 D 8.90 4.83 0.00 2.69 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 91 S 9.11 4.71 0.00 3.82 3.65 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 0.00 0.00 0.00 0.00 92 Q 7.91 4.53 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 93 P 0.00 4.38 0.00 2.12 2.14 0.00 3.68 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 1.87 1.92 0.00 94 R 7.61 3.88 0.00 1.12 1.40 0.00 2.92 0.00 0.00 2.41 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.37 0.00 95 G 6.71 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 96 M 8.69 4.92 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 97 A 9.28 4.32 1.19 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 0.00 0.00 98 V 9.17 5.33 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 1.02 0.00 0.00 1.28 0.00 0.00 99 T 9.15 5.27 4.37 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 1.30 0.00 0.00 100 I 8.35 5.03 1.67 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.60 0.79 0.00 0.00 101 S 9.49 5.54 0.00 3.75 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 0.00 102 V 8.86 4.52 1.65 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 0.21 0.00 0.00 0.35 0.00 0.00 103 K 8.51 4.78 0.00 1.62 1.63 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.23 1.33 7.81 104 A 8.49 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 9.33 4.15 0.00 1.94 1.99 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 2.27 2.25 0.00 106 K 7.45 4.59 0.00 1.85 1.84 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.42 7.81 107 I 8.10 4.76 2.00 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 1.32 0.83 0.97 0.00 0.00 108 S 8.96 5.28 0.00 3.57 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 0.00 109 T 9.01 5.19 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 1.36 0.00 0.00 110 L 9.21 4.50 0.00 1.76 1.52 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 111 S 9.45 5.02 0.00 3.87 3.65 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 0.00 0.00 0.00 0.00 112 A 8.65 4.58 1.42 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 0.00 0.00 0.00 113 E 7.88 4.51 0.00 2.08 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 2.35 2.33 0.00 114 N 9.67 4.15 0.00 2.86 2.81 0.00 0.00 7.04 7.61 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 0.00 115 K 7.33 3.40 0.00 1.54 1.51 0.00 1.23 0.00 0.00 1.06 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 0.21 7.81 116 I 7.31 4.48 1.94 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 1.25 0.70 0.88 0.00 0.00 117 I 8.31 4.32 1.79 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 1.48 0.64 0.65 0.00 0.00 118 S 8.75 4.56 0.00 3.86 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 0.00 119 F 8.59 5.06 0.00 3.02 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 0.00 120 K 9.30 4.53 0.00 1.82 1.87 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.39 7.81 121 E 8.95 4.63 0.00 2.04 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 2.30 2.31 0.00 122 M 7.89 4.52 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 123 N 8.87 4.68 0.00 2.76 2.81 0.00 0.00 6.98 8.02 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 0.00 124 P 0.00 4.46 0.00 2.34 2.18 0.00 3.81 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 2.05 2.02 0.00 125 P 0.00 4.49 0.00 2.32 2.08 0.00 3.84 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 1.68 1.85 0.00 126 D 8.79 4.71 0.00 2.68 2.81 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 0.00 0.00 0.00 127 N 8.13 5.79 0.00 2.62 2.68 0.00 0.00 6.70 7.32 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 0.00 128 I 8.72 4.58 1.88 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.40 0.00 0.00 129 K 8.84 3.98 0.00 1.84 1.95 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.41 7.81 130 D 7.58 4.82 0.00 2.83 2.74 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 0.00 131 T 8.54 4.46 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 1.07 0.00 0.00 132 K 8.32 4.35 0.00 1.83 1.83 0.00 1.80 0.00 0.00 1.46 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.34 7.81 133 S 7.58 4.20 0.00 3.75 3.58 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 0.00 134 D 8.72 4.40 0.00 2.77 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 0.00 135 I 7.16 4.49 1.91 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 1.23 1.43 0.96 0.00 0.00 136 I 7.34 4.39 1.68 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.78 0.40 0.00 0.00 137 F 9.03 4.97 0.00 3.11 3.10 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 0.00 138 F 9.30 5.13 0.00 2.98 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 0.00 139 Q 9.39 4.69 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.12 1.47 0.00 140 R 8.64 5.08 0.00 1.91 2.16 0.00 3.13 0.00 0.00 3.59 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 141 S 8.65 4.74 0.00 4.08 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 0.00 142 V 8.84 3.67 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 0.97 0.00 0.00 0.91 0.00 0.00 143 P 0.00 4.31 0.00 2.08 2.02 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 144 G 9.34 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 0.00 145 H 8.22 4.75 0.00 3.10 3.19 0.00 5.62 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 0.00 146 D 8.45 4.48 0.00 2.67 2.74 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 0.00 147 N 8.11 4.78 0.00 2.72 2.85 0.00 0.00 6.85 7.61 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 0.00 148 K 8.05 4.68 0.00 1.71 1.68 0.00 1.51 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.41 7.81 149 M 9.27 5.01 0.00 1.62 2.15 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.67 0.00 150 Q 9.14 5.28 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 151 F 9.12 5.29 0.00 2.96 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 0.00 152 E 9.29 4.14 0.00 1.61 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 2.06 1.47 0.00 153 S 8.81 3.98 0.00 4.00 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 0.00 154 S 8.63 4.58 0.00 3.64 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 0.00 155 S 7.94 4.06 0.00 3.42 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 0.00 156 Y 7.47 4.65 0.00 2.88 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 0.00 157 E 8.39 4.08 0.00 1.93 1.93 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 2.33 2.32 0.00 158 G 9.45 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 0.00 159 Y 8.00 5.31 0.00 3.26 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 0.00 160 F 9.61 5.47 0.00 3.06 3.10 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 0.00 161 L 9.09 4.69 0.00 1.81 1.58 0.02 0.44 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 0.00 162 A 9.38 5.19 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 0.00 163 A 8.60 5.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 E 9.22 4.67 0.00 2.05 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 0.00 2.21 2.26 0.00 165 K 8.79 4.31 0.00 1.71 1.61 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.63 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.15 0.80 7.81 166 E 8.95 4.51 0.00 1.93 1.72 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 2.15 2.20 0.00 167 R 8.52 3.74 0.00 1.93 1.16 0.00 3.23 0.00 0.00 3.21 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 168 D 9.12 4.51 0.00 2.66 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 0.00 169 L 7.83 4.62 0.00 1.66 1.60 0.94 1.33 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 0.00 170 F 8.79 5.23 0.00 3.44 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 0.00 171 K 9.27 5.10 0.00 1.72 1.71 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.36 7.81 172 L 8.36 5.05 0.00 1.41 1.38 0.95 0.59 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 0.00 173 I 9.02 4.76 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 1.21 0.72 0.96 0.00 0.00 174 L 8.47 5.21 0.00 1.73 1.80 1.20 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 175 K 9.25 4.80 0.00 1.91 1.70 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.39 7.81 176 K 8.62 3.77 0.00 1.18 1.47 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.68 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.17 0.74 7.81 177 E 9.09 4.01 0.00 1.85 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 2.20 2.02 0.00 178 D 8.41 4.64 0.00 2.66 2.66 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 0.00 179 E 7.39 4.66 0.00 1.99 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 0.00 2.12 2.25 0.00 180 L 8.23 4.04 0.00 1.61 1.58 0.90 0.86 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 0.00 181 G 8.49 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 0.00 0.00 0.00 182 D 7.70 4.45 0.00 2.59 2.45 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 0.00 183 R 8.38 3.93 0.00 1.80 1.83 0.00 3.10 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 184 S 8.27 3.98 0.00 4.15 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 0.00 185 I 7.17 4.77 1.97 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.36 0.94 0.00 0.00 186 M 7.30 4.84 0.00 1.77 1.91 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.37 0.00 187 F 9.06 5.09 0.00 3.17 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 0.00 188 T 9.01 4.78 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 1.27 0.00 0.00 189 V 8.52 4.80 2.20 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 0.94 0.00 0.00 1.19 0.00 0.00 190 Q 9.04 4.63 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 191 N 8.82 4.94 0.00 2.75 2.74 0.00 0.00 6.98 7.65 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 0.00 192 E 9.09 4.38 0.00 1.90 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 2.43 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.