NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.5012 8.3649 120.3094 53.0396 40.4670 178.6988 6 F 4.9413 9.0012 111.5792 56.3899 40.1127 170.3766 7 E 4.9657 9.3198 123.0736 54.4383 32.8331 174.2186 8 E 5.7535 8.6168 122.2630 53.4873 32.9324 174.4481 9 K 4.7652 8.5987 122.8322 54.7287 36.1747 174.1481 10 M 4.8494 8.4934 123.6103 54.0688 32.0729 175.7290 11 I 4.0252 8.6721 125.8845 63.5503 37.6832 176.3000 12 L 4.6541 7.4981 119.1448 54.9274 43.1871 173.1873 13 I 5.3511 8.4580 113.4777 59.4810 40.4711 174.3829 14 R 4.8362 9.4462 121.1329 54.6481 33.7613 173.9408 15 R 4.9346 8.8291 119.7725 53.9894 31.5212 175.2032 16 T 4.5194 8.1198 117.5607 61.1432 71.6693 173.0509 17 A 4.6505 8.1632 121.7998 50.7202 22.0351 175.9824 18 R 4.6045 8.9424 119.1219 54.7075 32.6684 174.8798 19 M 4.9749 8.2710 119.3195 54.1127 34.4623 175.2776 20 Q 4.4238 8.7981 121.0560 54.2332 32.5902 173.4786 21 A 4.0488 8.5462 125.4816 54.0852 18.7055 176.2333 22 G 4.2556 9.2319 112.8779 44.5184 0.0000 173.9385 23 G 3.8733 7.6822 105.5545 45.8373 0.0000 170.8185 24 R 4.5529 8.1645 118.4879 55.4069 31.6007 176.6199 25 R 4.4380 8.6006 121.6646 54.4242 33.4470 175.4201 26 F 4.9813 8.8793 122.5495 56.7738 40.8089 174.6510 27 R 4.7779 7.8711 117.2201 55.5110 34.9720 174.0122 28 F 5.2812 9.4628 118.8084 55.8123 42.9810 174.4483 29 G 4.4705 9.2548 109.9230 44.3981 0.0000 172.0812 30 A 5.3421 8.6793 124.6318 49.9500 22.8633 174.4823 31 L 5.2495 9.5836 125.4783 53.5940 44.2092 175.3707 32 V 4.8797 9.1506 126.2823 61.2204 34.8592 174.3206 33 V 4.7711 9.0426 128.3231 61.7965 33.7553 174.9474 34 V 4.9650 8.5396 125.3046 60.5042 34.9985 173.8780 35 G 4.6910 9.3027 110.5937 45.2182 0.0000 172.9514 36 D 5.0006 8.6513 117.6699 52.2659 39.8185 176.4831 37 R 4.1414 7.8934 117.0183 57.3781 28.1813 176.6995 38 Q 4.4870 9.3997 115.7822 55.1738 30.2585 175.8312 39 G 3.8523 8.8791 103.7055 45.3894 0.0000 173.6340 40 R 5.0137 7.9467 117.7535 54.3116 33.4846 174.6761 41 V 4.8174 8.6090 117.1164 59.4558 36.2525 175.2758 42 G 4.8041 8.7906 109.1223 44.3884 0.0000 171.1806 43 L 5.0849 8.5597 125.9380 53.0272 45.0985 175.1652 44 G 4.2441 9.0386 112.2992 44.5602 0.0000 171.0240 45 F 5.6130 9.2261 127.3404 56.5514 40.8589 174.0250 46 G 4.4118 8.7534 113.4023 44.2027 0.0000 170.5906 47 K 5.7077 8.4993 119.8256 53.7108 36.0105 175.1313 48 A 4.5568 8.3121 122.6244 50.7149 22.1253 175.5638 49 P 4.3498 0.0000 0.0000 65.0924 31.7554 177.5078 50 E 4.3413 7.9544 117.9344 53.9581 33.2317 175.7417 51 V 3.1684 7.1912 126.0071 65.6883 31.8644 175.7671 52 P 4.2255 0.0000 0.0000 66.4577 31.1629 178.2898 53 L 3.9763 7.7578 117.8087 58.2355 40.4581 179.1784 54 A 3.9299 8.0611 122.6279 55.1849 18.3917 179.2471 55 V 3.5205 8.5074 117.4572 66.4289 31.5495 177.6627 56 Q 3.9554 8.3100 119.1910 59.4621 28.8253 178.7639 57 K 3.8776 8.3940 120.2443 59.1854 32.1449 178.5493 58 A 4.2075 8.2680 121.4567 55.1340 18.3995 179.3801 59 G 3.7891 8.1901 104.1630 48.4370 0.0000 174.6537 60 Y 4.1004 7.7332 121.0695 60.7356 38.8618 177.8850 61 Y 4.3036 8.0014 117.0611 60.7507 37.8440 177.9519 62 A 4.3615 8.4580 123.4912 54.8917 18.2993 179.9737 63 R 3.8739 7.7417 114.6888 59.2700 30.2230 178.7956 64 R 4.2709 7.2785 115.2830 56.4295 31.7038 176.3855 65 N 4.9916 8.2006 118.3971 51.7296 38.7561 171.9486 66 M 5.0798 8.0525 120.2092 53.3686 34.6832 175.6779 67 V 4.2952 9.0629 123.2744 61.0352 34.7377 174.1512 68 E 4.5586 8.8028 129.2427 55.1532 29.6432 175.8790 69 V 3.8694 8.6992 129.2648 60.7823 31.4177 175.0871 70 P 4.6381 0.0000 0.0000 62.4846 28.6134 176.2391 71 L 4.3387 7.5249 122.7375 56.2719 42.9981 178.2033 72 Q 4.3436 8.5217 119.9761 55.2234 30.4735 174.0909 73 N 4.0448 9.0509 123.8456 54.4738 37.1452 174.9911 74 G 3.9231 8.3682 105.5450 45.7327 0.0000 172.0434 75 T 4.9929 7.1830 111.3395 58.8946 70.8678 172.2195 76 I 4.3896 7.9942 123.3470 59.4271 38.2635 174.5349 77 P 4.4677 0.0000 0.0000 65.7483 31.6337 175.0066 78 H 4.8720 7.4708 115.3925 54.0734 31.5202 171.8495 79 E 5.0326 9.3834 117.5907 53.9194 31.9772 175.6493 80 I 4.6451 8.4425 117.4050 59.0653 41.4514 174.1752 81 E 4.8698 8.5825 122.9593 54.7767 32.1373 174.4140 82 V 4.5499 8.6313 126.9716 61.0732 34.7732 173.8493 83 E 5.0997 8.8635 126.0106 54.5609 31.9454 175.2798 84 F 4.7402 9.8103 128.2529 56.9661 41.5887 175.5380 85 G 3.5216 7.8839 120.5218 46.9448 0.0000 172.8832 86 A 4.5423 8.5725 128.1685 51.5424 19.2796 176.0978 87 S 5.3224 8.0582 114.4706 56.6904 65.2274 173.2631 88 K 5.0901 9.0009 125.1494 54.5657 35.3559 174.4498 89 I 4.8515 8.9203 126.8506 59.1040 41.5777 173.9964 90 V 4.6673 8.6725 127.9226 61.0833 33.8480 173.9544 91 L 5.2296 8.6646 127.6898 52.8270 44.6323 175.4939 92 K 4.8868 9.6146 125.1270 53.7518 35.6471 173.7002 93 P 4.5431 0.0000 0.0000 63.0843 32.0135 175.3036 94 A 4.8386 8.6339 122.3865 50.0641 22.6072 175.8636 95 A 4.1899 8.4901 122.0942 50.9692 19.3378 175.8121 96 P 5.3678 0.0000 0.0000 63.1739 31.8971 176.8644 97 G 4.0936 8.7963 108.4344 46.1632 0.0000 175.4931 98 T 3.8023 7.4468 116.0241 66.4632 68.6664 175.0393 99 G 3.7753 9.2961 107.2075 43.4892 0.0000 172.1679 100 V 4.3183 7.7038 118.1764 61.5281 30.6276 175.1464 101 I 4.2213 8.5070 126.4812 60.3044 36.7113 174.4149 102 A 4.7798 7.4474 126.6528 50.6664 22.5607 175.8998 103 G 3.6983 8.9144 107.1209 44.5321 0.0000 174.6265 104 A 3.9297 8.8211 123.3972 55.4770 17.9961 180.4332 105 V 3.5213 7.7084 116.1101 65.5814 31.8414 176.3770 106 P 4.2754 0.0000 0.0000 65.2804 31.1367 178.0752 107 R 3.7981 8.2253 119.3096 59.3052 30.1978 177.7824 108 A 4.0037 7.8873 119.9755 55.6894 18.1014 179.7682 109 I 3.6526 7.2644 116.9949 64.3400 37.3844 178.5020 110 L 4.0667 7.9926 119.8883 57.7362 41.4746 178.9520 111 E 4.0926 8.5790 118.7416 59.9084 29.5947 179.8385 112 L 4.0254 7.8495 117.1461 56.7937 41.5973 178.2714 113 A 4.3434 8.1938 120.6764 51.5760 18.2715 177.8966 114 G 3.9575 8.0613 106.1012 46.6062 0.0000 173.9046 115 V 4.2880 7.6313 117.9657 61.2116 32.8120 175.3096 116 T 4.4714 8.9461 118.9215 61.9415 69.5893 172.9980 117 D 5.2149 7.6738 120.4074 52.7294 44.8388 174.4659 118 I 4.5477 8.7094 121.7844 60.0734 42.2841 172.6642 119 L 5.1747 9.5715 129.4066 53.2617 44.0989 175.7030 120 T 5.6442 8.1486 111.3366 59.3232 73.3343 172.7458 121 K 4.5888 8.1574 120.7917 55.6220 35.4223 173.7569 122 E 4.8549 8.8608 127.5204 55.7516 30.9976 175.5090 123 L 4.5584 9.0197 124.1146 52.6249 45.9375 177.6075 124 G 3.6751 8.7395 107.8272 46.7773 0.0000 174.7422 125 S 4.2375 9.4847 120.0448 58.2849 62.6966 174.5404 126 R 4.3768 8.5275 125.9637 56.2636 30.0303 176.0816 127 N 4.2512 8.2199 118.0876 54.3775 39.5873 172.8493 128 P 4.0141 0.0000 0.0000 66.0968 31.4858 177.9002 129 I 3.5750 7.7407 117.3960 65.0835 37.3040 178.1500 130 N 4.7923 8.7884 116.9183 56.4157 38.3822 177.5940 131 I 3.7499 8.5246 121.3923 64.2094 37.1765 178.1228 132 A 3.8784 8.5274 121.8133 55.6789 18.1999 179.4227 133 Y 3.7189 8.0557 114.6638 60.6623 37.7134 178.7305 134 A 3.9375 8.3169 122.2958 55.4896 18.4906 179.3808 135 T 3.7556 8.3498 114.4039 67.3884 68.5347 176.0823 136 M 3.9061 7.9434 119.9432 58.8497 31.8246 178.4762 137 E 3.8502 8.0558 117.1719 59.7216 30.0046 179.0877 138 A 4.1023 8.3791 120.7085 55.5443 18.3462 179.2117 139 L 3.8304 8.3234 116.9026 58.1248 41.6249 179.7583 140 R 3.4555 8.5021 118.7246 59.5886 30.0395 177.6340 141 Q 4.2832 7.7698 115.1247 55.3486 29.5147 176.1480 142 L 4.0901 7.9241 121.4262 55.1635 42.2829 176.7973 143 R 4.7321 8.1806 119.4614 54.1819 34.2932 175.2994 144 T 4.6525 9.2987 117.7404 61.2314 72.2514 175.6557 145 K 3.7736 8.6266 124.0680 59.9861 31.9923 178.3850 146 A 4.7207 7.9794 121.3209 54.8775 18.1790 178.9150 147 D 4.3225 8.0719 116.3610 57.5954 40.8424 179.1808 148 V 3.5832 8.2395 119.0184 66.1348 31.6197 177.9363 149 E 3.9454 8.5735 117.5285 59.1678 28.6491 179.1537 150 R 3.8215 8.2367 120.2675 59.4816 30.0136 178.5085 151 L 4.0674 8.0386 117.7261 57.5639 41.7270 178.8784 152 R 4.3047 8.0156 115.2281 56.3606 30.2667 178.2552 153 K 4.0760 7.5631 119.8605 58.9932 33.7890 175.9101 154 G 3.4044 7.8893 106.9919 46.3370 0.0000 173.7420 *155 E 4.1319 7.8397 117.0332 56.3609 30.4399 177.3363 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 D 8.36 4.50 0.00 2.44 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 6 F 9.00 4.94 0.00 3.03 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 7 E 9.32 4.97 0.00 2.03 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 2.21 2.24 0.00 8 E 8.62 5.75 0.00 2.01 1.85 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 2.20 2.14 0.00 9 K 8.60 4.77 0.00 1.80 1.62 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.39 7.81 10 M 8.49 4.85 0.00 2.07 2.09 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 2.51 2.57 0.00 11 I 8.67 4.03 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.76 0.90 0.00 0.00 12 L 7.50 4.65 0.00 1.67 1.74 0.99 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.46 5.35 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.67 0.97 0.00 0.00 14 R 9.45 4.84 0.00 1.90 2.11 0.00 2.79 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 15 R 8.83 4.93 0.00 1.71 1.83 0.00 2.48 0.00 0.00 3.78 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.50 0.00 16 T 8.12 4.52 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 17 A 8.16 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.94 4.60 0.00 1.78 1.95 0.00 2.71 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 19 M 8.27 4.97 0.00 1.85 1.95 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 2.46 2.37 0.00 20 Q 8.80 4.42 0.00 1.99 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 21 A 8.55 4.05 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 22 G 9.23 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 0.00 0.00 0.00 0.00 23 G 7.68 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 24 R 8.16 4.55 0.00 1.31 1.30 0.00 3.14 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 25 R 8.60 4.44 0.00 1.56 1.76 0.00 3.09 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 26 F 8.88 4.98 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.87 4.78 0.00 1.67 1.77 0.00 3.07 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 28 F 9.46 5.28 0.00 3.09 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 29 G 9.25 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 30 A 8.68 5.34 1.25 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 31 L 9.58 5.25 0.00 1.82 1.59 0.80 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 32 V 9.15 4.88 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 0.90 0.00 0.00 0.97 0.00 0.00 33 V 9.04 4.77 2.04 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 0.89 0.00 0.00 0.88 0.00 0.00 34 V 8.54 4.97 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 0.37 0.00 0.00 0.98 0.00 0.00 35 G 9.30 4.69 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 0.00 0.00 0.00 36 D 8.65 5.00 0.00 2.94 3.27 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 37 R 7.89 4.14 0.00 2.01 2.04 0.00 3.31 0.00 0.00 3.43 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 38 Q 9.40 4.49 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.06 0.00 0.00 0.00 0.00 0.00 2.31 2.65 0.00 39 G 8.88 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 0.00 0.00 0.00 40 R 7.95 5.01 0.00 2.20 1.78 0.00 3.15 0.00 0.00 3.76 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 41 V 8.61 4.82 1.97 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 0.84 0.00 0.00 0.85 0.00 0.00 42 G 8.79 4.80 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 0.00 0.00 0.00 43 L 8.56 5.08 0.00 1.54 1.28 0.23 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.04 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 0.00 0.00 0.00 45 F 9.23 5.61 0.00 2.97 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 46 G 8.75 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.50 5.71 0.00 1.50 1.67 0.00 0.92 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.18 0.85 7.81 48 A 8.31 4.56 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 49 P 0.00 4.35 0.00 2.12 2.23 0.00 3.68 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 2.07 2.14 0.00 50 E 7.95 4.34 0.00 1.98 1.66 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 2.16 2.22 0.00 51 V 7.19 3.17 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 0.87 0.00 0.00 0.16 0.00 0.00 52 P 0.00 4.23 0.00 2.12 1.99 0.00 3.47 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 53 L 7.76 3.98 0.00 1.84 1.90 0.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.06 3.93 1.51 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 0.00 0.00 55 V 8.51 3.52 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.94 0.00 0.00 56 Q 8.31 3.96 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 57 K 8.39 3.88 0.00 2.07 1.97 0.00 1.91 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.31 7.81 58 A 8.27 4.21 1.54 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 59 G 8.19 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 0.00 0.00 0.00 60 Y 7.73 4.10 0.00 2.86 2.99 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 61 Y 8.00 4.30 0.00 3.30 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 62 A 8.46 4.36 1.45 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 63 R 7.74 3.87 0.00 1.75 2.10 0.00 3.21 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 64 R 7.28 4.27 0.00 1.76 1.94 0.00 2.63 0.00 0.00 2.96 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.50 0.00 65 N 8.20 4.99 0.00 2.79 2.82 0.00 0.00 7.05 8.35 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 66 M 8.05 5.08 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 67 V 9.06 4.30 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 0.92 0.00 0.00 0.89 0.00 0.00 68 E 8.80 4.56 0.00 2.00 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 2.36 0.00 69 V 8.70 3.87 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 0.79 0.00 0.00 0.89 0.00 0.00 70 P 0.00 4.64 0.00 2.19 2.07 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 71 L 7.52 4.34 0.00 1.65 1.64 1.02 0.92 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 72 Q 8.52 4.34 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.26 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 73 N 9.05 4.04 0.00 2.84 2.87 0.00 0.00 7.40 7.98 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 74 G 8.37 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 75 T 7.18 4.99 4.23 0.00 0.00 0.00 0.00 0.00 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 76 I 7.99 4.39 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.51 0.93 0.00 0.00 77 P 0.00 4.47 0.00 2.24 2.16 0.00 3.63 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 78 H 7.47 4.87 0.00 3.06 3.25 0.00 5.66 0.00 0.00 0.00 0.00 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 9.38 5.03 0.00 1.83 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 2.20 2.19 0.00 80 I 8.44 4.65 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.69 1.00 0.00 0.00 81 E 8.58 4.87 0.00 1.94 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 2.19 2.29 0.00 82 V 8.63 4.55 2.10 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 1.11 0.00 0.00 0.94 0.00 0.00 83 E 8.86 5.10 0.00 1.89 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 2.22 2.28 0.00 84 F 9.81 4.74 0.00 2.94 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 85 G 7.88 3.52 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 0.00 0.00 0.00 86 A 8.57 4.54 1.25 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 87 S 8.06 5.32 0.00 4.07 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 88 K 9.00 5.09 0.00 1.80 1.62 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.36 7.81 89 I 8.92 4.85 1.89 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 1.12 1.60 0.92 0.00 0.00 90 V 8.67 4.67 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.97 0.00 0.00 91 L 8.66 5.23 0.00 1.63 1.51 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.61 4.89 0.00 1.70 1.70 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.37 7.81 93 P 0.00 4.54 0.00 2.11 2.26 0.00 3.78 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 94 A 8.63 4.84 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 95 A 8.49 4.19 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 96 P 0.00 5.37 0.00 2.05 2.00 0.00 3.73 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 97 G 8.80 4.09 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 0.00 98 T 7.45 3.80 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 1.21 0.00 0.00 99 G 9.30 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 0.00 100 V 7.70 4.32 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 0.83 0.00 0.00 0.97 0.00 0.00 101 I 8.51 4.22 2.00 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 0.83 0.91 0.00 0.00 102 A 7.45 4.78 1.17 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 0.00 103 G 8.91 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.82 3.93 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 0.00 105 V 7.71 3.52 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 1.04 0.00 0.00 0.92 0.00 0.00 106 P 0.00 4.28 0.00 2.28 2.28 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.01 0.00 107 R 8.23 3.80 0.00 1.89 2.16 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 108 A 7.89 4.00 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.26 3.65 1.95 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.64 0.84 0.00 0.00 110 L 7.99 4.07 0.00 1.84 1.68 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.58 4.09 0.00 1.93 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 2.33 2.55 0.00 112 L 7.85 4.03 0.00 1.76 1.65 0.95 0.79 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 0.00 113 A 8.19 4.34 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 0.00 114 G 8.06 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 0.00 0.00 0.00 115 V 7.63 4.29 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 0.87 0.00 0.00 0.91 0.00 0.00 116 T 8.95 4.47 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 1.24 0.00 0.00 117 D 7.67 5.21 0.00 2.63 2.65 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 0.00 118 I 8.71 4.55 1.86 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 1.22 1.26 0.90 0.00 0.00 119 L 9.57 5.17 0.00 1.56 1.54 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.15 5.64 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 1.20 0.00 0.00 121 K 8.16 4.59 0.00 1.87 1.65 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.52 7.81 122 E 8.86 4.85 0.00 1.97 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 2.37 2.34 0.00 123 L 9.02 4.56 0.00 1.51 1.54 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.74 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 0.00 0.00 0.00 125 S 9.48 4.24 0.00 3.81 3.75 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 0.00 126 R 8.53 4.38 0.00 1.85 1.93 0.00 3.52 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 127 N 8.22 4.25 0.00 2.77 2.75 0.00 0.00 7.18 7.45 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 0.00 128 P 0.00 4.01 0.00 2.18 2.02 0.00 3.69 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 129 I 7.74 3.57 1.97 0.00 0.00 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 1.14 0.22 0.94 0.00 0.00 130 N 8.79 4.79 0.00 2.95 3.06 0.00 0.00 7.10 7.06 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 0.00 131 I 8.52 3.75 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.26 0.96 0.00 0.00 132 A 8.53 3.88 1.17 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 0.00 133 Y 8.06 3.72 0.00 2.32 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 0.00 0.00 0.00 134 A 8.32 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.35 3.76 4.35 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 1.16 0.00 0.00 136 M 7.94 3.91 0.00 1.94 2.13 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.71 0.00 137 E 8.06 3.85 0.00 2.12 2.04 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 2.29 2.53 0.00 138 A 8.38 4.10 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.32 3.83 0.00 1.80 1.68 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.50 3.46 0.00 1.73 2.18 0.00 3.44 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 141 Q 7.77 4.28 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 142 L 7.92 4.09 0.00 1.62 1.53 0.87 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.18 4.73 0.00 1.81 1.80 0.00 3.35 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.59 0.00 144 T 9.30 4.65 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 1.27 0.00 0.00 145 K 8.63 3.77 0.00 1.82 1.84 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.55 7.81 146 A 7.98 4.72 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 0.00 147 D 8.07 4.32 0.00 2.81 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 0.00 148 V 8.24 3.58 2.22 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 1.15 0.00 0.00 1.00 0.00 0.00 149 E 8.57 3.95 0.00 2.21 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 2.52 2.39 0.00 150 R 8.24 3.82 0.00 2.05 2.03 0.00 3.26 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 1.63 1.82 0.00 151 L 8.04 4.07 0.00 1.78 1.72 1.01 0.84 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 0.00 152 R 8.02 4.30 0.00 1.76 1.96 0.00 3.16 0.00 0.00 3.15 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 153 K 7.56 4.08 0.00 2.01 1.83 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.45 7.81 154 G 7.89 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 0.00 0.00 0.00 *155 E 7.84 4.13 0.00 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.