NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 E 4.3461 8.3027 116.7692 55.9924 31.8476 175.1225 3 S 4.5576 8.3775 108.9403 59.9600 63.4826 172.3221 4 S 4.3400 7.4724 112.1675 56.5235 66.4906 173.4290 5 V 4.4123 8.0510 119.6462 60.2723 35.0000 173.4810 6 D 5.1052 8.5678 123.0183 53.0144 42.2304 175.7527 7 I 4.7104 8.8464 124.6310 59.4656 40.7951 174.5843 8 Q 5.1460 9.7338 125.3281 54.0334 32.2292 174.6855 9 G 4.5000 9.1951 110.5638 44.5298 0.0000 171.9543 10 N 5.7575 8.3013 122.5710 51.0168 40.6199 174.7607 11 D 4.5836 8.8388 116.7632 56.1713 41.0623 176.9014 12 Q 4.3467 8.3478 118.1821 55.2255 28.7461 175.1375 13 M 2.9872 7.5609 116.0259 56.3973 31.3789 176.4312 14 Q 4.4226 7.5000 113.3458 53.9361 33.2399 175.1199 15 F 5.2753 8.3826 119.3841 56.6810 40.1208 175.8779 16 N 4.5984 8.6641 119.0738 55.1888 37.4501 175.2768 17 T 4.8106 7.8566 111.2647 60.4443 70.7762 172.5269 18 N 5.2932 8.8258 120.8280 52.9796 40.4308 173.7508 19 A 5.4838 8.3569 120.2280 50.8239 22.7658 176.2612 20 I 4.7039 9.1020 122.2563 59.7462 41.2636 174.5419 21 T 5.0221 8.6409 122.4018 61.7598 70.9372 173.4836 22 V 4.1140 8.6204 126.7375 60.8393 33.8357 174.1226 23 D 4.7215 8.6277 128.4138 53.8358 40.7827 176.3670 24 K 3.9749 8.9118 126.7531 59.2814 32.8441 177.8611 25 S 4.3970 8.4610 115.7440 57.3366 61.9361 173.9347 *27 K 4.4565 7.7055 122.0737 56.7057 35.0941 177.5129 28 Q 4.9873 7.8956 115.3375 54.0346 33.2402 174.5381 29 F 4.7889 8.4738 122.1457 56.6881 43.1455 173.4492 30 T 4.6702 7.1903 121.3099 61.5095 71.7370 172.9316 31 V 4.1421 8.3861 126.5611 61.0279 33.8335 173.8506 32 N 5.0284 8.7324 126.3017 51.5184 40.6081 173.5134 33 L 5.2577 8.8456 127.1239 53.2595 44.6107 175.3115 34 S 5.2291 9.0589 119.6991 56.9922 67.3393 172.5249 35 H 5.8475 8.8442 118.4815 52.1952 30.6177 170.8123 36 P 4.6504 0.0000 0.0000 62.7534 32.5182 175.1693 37 G 3.8646 8.8370 104.6999 44.5090 0.0000 172.5924 38 N 4.9473 9.6582 113.9637 52.4049 40.8078 174.8308 39 L 4.3360 7.9837 119.3741 53.0154 42.9004 174.9787 40 P 4.7897 0.0000 0.0000 61.5238 32.1443 177.3040 41 K 4.0228 8.4703 117.3787 59.5028 32.5185 178.2297 42 N 4.8741 8.1734 115.0358 53.8316 37.9701 175.3981 43 V 4.3378 7.7649 117.3501 64.2272 33.9103 175.4067 44 M 4.3470 7.7533 118.0394 54.0762 32.2184 175.1153 45 G 3.8707 6.6270 105.1093 46.0689 0.0000 173.5458 46 H 5.4629 9.2370 119.9353 53.7813 33.3582 172.2557 47 N 5.7196 9.0807 118.1939 50.8960 41.7672 172.4203 48 W 4.8335 9.2166 128.7292 55.6269 33.4017 174.2046 49 V 4.6212 7.8877 126.4823 60.7396 34.5525 173.6312 50 L 4.7956 8.1505 129.1908 53.1422 44.8354 175.2179 51 S 5.1640 8.7426 119.3982 56.9979 67.4016 173.6371 52 T 4.3818 8.6506 109.7979 61.2254 69.4608 175.0750 53 A 3.9363 8.6725 124.8847 55.5740 18.0617 180.1261 54 A 3.9350 7.2348 115.8499 55.0076 18.7234 178.7598 55 D 4.5723 7.8885 115.4891 55.2193 41.2851 178.3047 56 M 3.7113 7.6299 119.5374 58.6150 32.0474 177.6462 57 Q 3.8964 7.9854 119.0485 59.2537 29.2137 178.4904 58 G 3.5630 7.9577 106.0867 47.7712 0.0000 175.6241 59 V 3.6471 7.7585 120.6963 65.6978 31.5950 178.3881 60 V 3.6079 7.8629 118.0491 66.2091 31.1581 178.1416 61 T 3.8370 7.8164 114.3983 66.9396 68.1286 176.1871 62 D 4.6068 8.2212 120.9073 57.1559 40.7672 179.0999 63 G 4.0424 8.4844 108.1628 47.4906 0.0000 175.2529 64 M 4.0474 8.0099 119.4666 58.4533 32.3056 177.6336 65 A 4.2517 7.5743 117.2960 53.6580 19.0624 178.7872 66 S 4.3348 8.3256 113.7578 57.9660 63.3322 175.4056 67 G 3.7434 7.6602 106.3171 44.9297 0.0000 173.9729 68 L 3.3371 7.7874 119.6129 57.8672 41.7241 178.5987 69 D 4.4680 7.8523 117.0867 55.2751 39.7565 177.3692 70 K 4.3856 7.5563 118.9220 55.3048 32.2698 175.9696 71 D 4.3478 8.1594 117.0651 55.6212 39.1955 173.1506 72 Y 3.8606 7.4391 112.9652 59.0602 36.1505 170.4974 73 L 4.9997 7.7381 117.0569 52.3173 45.4313 176.9463 74 K 4.0422 8.5700 123.7306 55.1465 32.5917 174.2662 75 P 4.2832 0.0000 0.0000 64.1219 31.6938 175.6704 76 D 4.3951 8.7618 121.0530 55.2601 38.4480 173.4820 77 D 4.4469 7.7269 119.5694 54.1638 41.2600 176.9036 78 S 4.3861 8.6256 121.4261 60.2453 63.5131 175.2928 79 R 4.0698 8.1148 119.6157 57.6562 30.1784 176.5270 80 V 4.1094 7.4463 118.5652 62.0272 31.7934 175.6142 81 I 4.0339 8.5916 129.3725 64.2224 37.6735 176.2769 82 A 4.7350 7.5510 120.5346 51.6295 22.2609 174.8471 83 H 5.4641 8.5614 113.6211 55.1430 31.3729 173.3777 84 T 4.6383 8.6060 111.4155 60.3295 71.1286 173.9266 85 K 4.5118 9.3845 122.0849 56.0018 34.2756 176.3033 86 L 4.7024 8.6091 123.3770 54.9362 42.4790 175.9545 87 I 4.8491 9.2919 119.9633 59.2974 41.4907 174.7547 88 G 4.5413 9.1943 110.8723 43.9153 0.0000 172.3884 89 S 4.4425 8.2543 114.8927 59.8884 63.0391 175.1742 90 G 3.9194 8.9985 111.6869 45.4249 0.0000 173.1404 91 E 4.6551 7.8184 119.3975 55.3458 31.9662 175.0777 92 K 4.9460 8.2579 118.5507 55.5563 36.4137 175.2453 93 D 4.8114 9.0067 121.0378 53.2982 45.2099 173.8073 94 S 5.2125 8.4858 116.4238 56.5379 65.9295 173.3356 95 V 4.6097 8.6053 124.1620 60.3024 34.8276 174.1675 96 T 5.1094 8.6380 119.6243 61.7479 71.3679 173.1386 97 F 5.1227 8.5214 119.9821 54.8527 42.4374 173.7314 98 D 4.9176 8.7986 119.7876 54.0480 41.4235 177.9689 99 V 3.6747 8.7046 124.5939 65.5476 31.6558 175.9273 100 P 4.4482 0.0000 0.0000 64.0848 31.1468 177.1514 101 K 4.1746 8.1897 117.7406 57.8909 32.2334 176.8778 102 L 4.7597 7.7897 118.8097 52.6646 44.2951 175.5631 103 K 4.7961 8.7221 118.3286 54.8892 35.7426 175.9273 104 E 4.2340 8.5899 119.6303 57.7210 29.9215 177.8420 105 G 3.9492 8.9654 110.2140 45.1892 0.0000 172.8802 106 E 4.3512 7.3071 118.9808 54.3528 31.2846 174.4641 107 Q 4.3374 8.0443 126.4359 55.1594 30.7749 173.7686 108 Y 5.2414 8.1909 122.6525 56.5581 41.7044 174.5858 109 M 5.4871 9.1887 120.8794 53.5738 36.3674 174.5500 110 F 4.9939 8.3334 117.3748 55.3001 41.1932 174.2185 111 F 5.3568 7.8553 114.3418 56.7396 41.6407 171.7654 112 C 5.6263 9.1609 120.1447 57.4683 32.4513 173.5166 113 T 4.4825 9.2262 115.5129 61.2866 69.2961 174.8205 114 F 3.3041 8.1322 125.7500 57.5467 39.7544 172.1345 115 P 4.0067 0.0000 0.0000 64.5921 31.0650 175.4291 116 G 4.1826 8.9684 111.5930 46.0007 0.0000 175.0585 117 H 4.3657 8.4994 117.0829 58.6093 28.8370 177.7885 118 S 4.6292 8.1187 112.6165 60.6200 63.1665 175.2221 119 A 4.1111 7.6535 123.0651 54.7121 18.0855 178.2076 120 L 4.5687 7.7749 112.2557 55.3676 44.1615 177.1936 121 M 4.5559 8.3099 121.3175 53.0455 30.1330 175.1080 122 K 5.0217 7.8141 118.5246 55.9780 36.4181 175.9147 123 G 3.6884 7.8922 108.0176 45.9439 0.0000 171.6708 124 T 5.2141 8.5391 109.8061 59.8069 71.9073 173.4383 125 L 5.6490 8.9778 125.0390 53.6911 45.5654 175.2364 126 T 4.9961 8.7835 115.2921 59.8403 72.5512 172.3806 127 L 4.8500 8.6717 126.0290 54.1675 43.1729 176.3550 128 K 4.3130 8.8210 125.4549 56.5547 32.2862 176.0885 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 *2 E 8.30 4.35 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.88 0.00 3 S 8.38 4.56 0.00 3.97 3.80 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 4 S 7.47 4.34 0.00 3.51 3.45 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 5 V 8.05 4.41 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 0.70 0.00 0.00 0.87 0.00 0.00 6 D 8.57 5.11 0.00 2.51 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 7 I 8.85 4.71 1.60 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.42 0.78 0.00 0.00 8 Q 9.73 5.15 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 9 G 9.20 4.50 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 0.00 0.00 0.00 10 N 8.30 5.76 0.00 2.87 2.96 0.00 0.00 6.61 7.40 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 11 D 8.84 4.58 0.00 2.70 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 12 Q 8.35 4.35 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 13 M 7.56 2.99 0.00 1.97 1.98 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 2.01 2.26 0.00 14 Q 7.50 4.42 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.92 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 15 F 8.38 5.28 0.00 3.38 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 16 N 8.66 4.60 0.00 2.92 3.02 0.00 0.00 6.65 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.86 4.81 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 18 N 8.83 5.29 0.00 2.77 2.82 0.00 0.00 6.54 7.19 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 19 A 8.36 5.48 1.29 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 0.00 0.00 20 I 9.10 4.70 1.97 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 1.18 0.63 0.91 0.00 0.00 21 T 8.64 5.02 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 1.26 0.00 0.00 22 V 8.62 4.11 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 0.76 0.00 0.00 -0.05 0.00 0.00 23 D 8.63 4.72 0.00 2.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.91 3.97 0.00 1.79 1.89 0.00 1.81 0.00 0.00 1.97 0.00 0.00 3.19 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.46 1.53 7.81 25 S 8.46 4.40 0.00 3.93 3.91 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 *27 K 7.71 4.46 0.00 1.74 1.92 0.00 1.59 0.00 0.00 1.81 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.48 7.81 28 Q 7.90 4.99 0.00 1.77 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 29 F 8.47 4.79 0.00 2.66 1.92 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 30 T 7.19 4.67 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 0.98 0.00 0.00 31 V 8.39 4.14 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 -0.23 0.00 0.00 -0.01 0.00 0.00 32 N 8.73 5.03 0.00 2.64 2.60 0.00 0.00 6.04 6.59 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 33 L 8.85 5.26 0.00 1.65 1.64 1.19 0.76 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 34 S 9.06 5.23 0.00 3.91 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 35 H 8.84 5.85 0.00 3.29 3.32 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.65 0.00 2.15 2.08 0.00 4.05 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 2.02 2.01 0.00 37 G 8.84 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 0.00 0.00 0.00 38 N 9.66 4.95 0.00 2.60 2.79 0.00 0.00 6.98 5.80 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 39 L 7.98 4.34 0.00 1.78 1.52 0.89 1.32 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 40 P 0.00 4.79 0.00 2.33 2.18 0.00 3.68 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 2.22 1.94 0.00 41 K 8.47 4.02 0.00 2.04 2.23 0.00 1.59 0.00 0.00 1.92 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.53 7.81 42 N 8.17 4.87 0.00 2.96 3.08 0.00 0.00 5.76 7.68 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 43 V 7.76 4.34 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 0.83 0.00 0.00 0.98 0.00 0.00 44 M 7.75 4.35 0.00 1.83 1.80 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 45 G 6.63 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 46 H 9.24 5.46 0.00 3.16 3.23 0.00 5.56 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.08 5.72 0.00 2.99 3.17 0.00 0.00 5.63 8.88 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 48 W 9.22 4.83 0.00 3.40 3.04 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 0.00 49 V 7.89 4.62 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 0.68 0.00 0.00 0.91 0.00 0.00 50 L 8.15 4.80 0.00 0.86 1.17 0.90 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.74 5.16 0.00 4.12 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 52 T 8.65 4.38 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 53 A 8.67 3.94 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 54 A 7.23 3.93 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 55 D 7.89 4.57 0.00 2.91 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 56 M 7.63 3.71 0.00 1.95 1.82 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 2.05 0.00 57 Q 7.99 3.90 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 58 G 7.96 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.76 3.65 2.35 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 1.29 0.00 0.00 1.09 0.00 0.00 60 V 7.86 3.61 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 0.92 0.00 0.00 0.65 0.00 0.00 61 T 7.82 3.84 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 1.19 0.00 0.00 62 D 8.22 4.61 0.00 2.84 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 63 G 8.48 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 0.00 0.00 0.00 0.00 64 M 8.01 4.05 0.00 2.19 2.07 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 2.53 2.55 0.00 65 A 7.57 4.25 1.32 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 0.00 0.00 0.00 66 S 8.33 4.33 0.00 4.00 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 67 G 7.66 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 0.00 0.00 0.00 68 L 7.79 3.34 0.00 1.68 1.56 1.07 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 69 D 7.85 4.47 0.00 2.83 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 70 K 7.56 4.39 0.00 1.67 1.91 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.40 7.81 71 D 8.16 4.35 0.00 2.88 2.84 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 72 Y 7.44 3.86 0.00 3.25 3.09 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 73 L 7.74 5.00 0.00 1.72 1.48 0.73 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.57 4.04 0.00 1.80 1.86 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.43 7.81 75 P 0.00 4.28 0.00 2.08 1.98 0.00 3.86 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 76 D 8.76 4.40 0.00 2.84 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 77 D 7.73 4.45 0.00 2.93 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 78 S 8.63 4.39 0.00 4.03 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.11 4.07 0.00 1.99 2.15 0.00 3.17 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.58 0.00 80 V 7.45 4.11 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 0.79 0.00 0.00 0.95 0.00 0.00 81 I 8.59 4.03 1.73 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 1.13 0.63 0.62 0.00 0.00 82 A 7.55 4.73 1.07 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 0.00 0.00 83 H 8.56 5.46 0.00 3.15 3.24 0.00 5.71 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.61 4.64 4.51 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 1.35 0.00 0.00 85 K 9.38 4.51 0.00 1.81 1.94 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.45 7.81 86 L 8.61 4.70 0.00 1.89 1.83 1.29 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 87 I 9.29 4.85 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.93 0.99 0.00 0.00 88 G 9.19 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.25 4.44 0.00 4.05 3.88 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 0.00 0.00 0.00 90 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 91 E 7.82 4.66 0.00 2.12 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 2.28 2.28 0.00 92 K 8.26 4.95 0.00 1.58 1.64 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.44 7.81 93 D 9.01 4.81 0.00 2.80 2.48 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 94 S 8.49 5.21 0.00 3.78 3.59 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 95 V 8.61 4.61 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 0.96 0.00 0.00 1.11 0.00 0.00 96 T 8.64 5.11 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 97 F 8.52 5.12 0.00 3.12 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 98 D 8.80 4.92 0.00 2.82 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 99 V 8.70 3.67 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.85 0.00 0.00 100 P 0.00 4.45 0.00 2.11 2.12 0.00 3.70 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 2.05 2.13 0.00 101 K 8.19 4.17 0.00 1.97 1.86 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.57 7.81 102 L 7.79 4.76 0.00 1.62 1.37 0.82 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.72 4.80 0.00 1.95 1.92 0.00 1.36 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.47 7.81 104 E 8.59 4.23 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 105 G 8.97 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.31 4.35 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 1.47 1.89 0.00 107 Q 8.04 4.34 0.00 2.12 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 108 Y 8.19 5.24 0.00 3.29 2.84 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 0.00 109 M 9.19 5.49 0.00 1.95 2.05 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 2.47 2.60 0.00 110 F 8.33 4.99 0.00 1.73 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 0.00 111 F 7.86 5.36 0.00 3.13 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 0.00 112 C 9.16 5.63 0.00 3.09 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 0.00 113 T 9.23 4.48 4.43 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 1.48 0.00 0.00 114 F 8.13 3.30 0.00 3.12 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 0.00 115 P 0.00 4.01 0.00 1.60 1.76 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.52 0.00 116 G 8.97 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.50 4.37 0.00 3.41 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.12 4.63 0.00 3.90 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.65 4.11 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 0.00 120 L 7.77 4.57 0.00 1.58 1.68 0.89 0.86 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 0.00 121 M 8.31 4.56 0.00 1.35 2.01 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.13 0.00 122 K 7.81 5.02 0.00 1.66 1.86 0.00 1.53 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.37 7.81 123 G 7.89 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 0.00 0.00 0.00 124 T 8.54 5.21 4.30 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 1.20 0.00 0.00 125 L 8.98 5.65 0.00 2.07 1.74 1.11 0.53 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 0.00 126 T 8.78 5.00 4.30 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 1.28 0.00 0.00 127 L 8.67 4.85 0.00 1.73 1.68 0.89 0.59 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 0.00 128 K 8.82 4.31 0.00 1.62 1.65 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.51 7.81 * Residues marked with a * may have inaccurate shift predictions.