NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7330 8.3544 109.7404 45.4630 0.0000 176.5712 *2 S 4.4827 8.4950 124.7080 57.4843 63.7731 170.8692 3 I 4.2323 8.2695 113.7877 60.8739 38.6714 175.5478 4 S 4.7760 8.1814 118.2371 56.5458 65.2884 175.0490 5 S 4.1257 8.7546 114.1561 60.6851 62.7924 175.2208 6 K 4.3944 7.8733 119.1994 56.1473 32.3351 177.6032 7 A 3.7381 7.7500 123.6750 55.4731 17.9190 180.7844 8 K 3.9289 7.8563 116.0521 59.6598 32.1244 179.3396 9 E 3.9854 8.1138 118.3747 59.3171 29.4501 179.2518 10 I 3.8431 8.2795 120.2443 64.5240 37.2152 178.4251 11 L 4.0295 8.2621 119.8675 58.0751 41.4650 179.6811 12 T 3.8512 8.1203 115.7117 66.7312 68.4049 176.4709 13 Q 3.9287 8.3178 121.4700 59.0500 29.0727 177.6182 14 F 3.0549 8.1782 122.0110 61.4372 39.1408 177.2396 15 T 3.1946 7.9093 115.4115 66.2542 68.1689 176.5960 16 R 3.8307 7.8312 120.4542 59.4786 30.2120 178.4608 17 E 4.0643 8.6522 118.4713 59.4239 29.4491 179.6301 18 V 3.4629 7.7574 118.3306 65.6813 31.4679 177.8925 19 W 4.0901 7.4117 116.1070 58.8823 29.4480 178.2598 20 S 4.7943 8.1383 115.4151 59.6633 62.7958 175.5324 21 E 4.5046 8.2347 118.7424 55.1109 30.0800 176.5619 22 G 3.7342 7.5111 106.8578 46.9058 0.0000 175.1493 23 N 4.5782 8.2125 120.4914 51.7564 36.7476 174.6206 24 I 3.5437 7.6760 126.0249 64.0162 37.7016 177.3401 25 E 4.0539 8.1605 118.1686 58.8235 29.3005 178.8411 26 A 4.0959 8.1456 120.6702 54.7163 18.2766 179.3483 27 S 4.2871 8.1773 114.2276 62.2571 62.6458 176.4132 28 D 4.3213 7.9258 120.5372 57.4029 40.5920 178.7220 29 K 3.9474 7.7604 117.5271 57.9962 32.3350 177.2716 30 Y 4.6022 7.4726 115.0878 57.8499 40.3478 175.3385 31 I 4.1733 7.5174 120.1706 59.4441 37.2425 175.6647 32 A 4.3031 8.7250 128.0321 51.0418 19.0769 176.7881 33 P 4.5503 0.0000 0.0000 64.7571 31.6687 176.7631 34 K 5.0004 7.7618 117.8361 54.5744 35.4007 174.8918 35 Y 4.8159 9.3905 126.0147 56.1295 42.2637 173.8288 36 T 5.0642 8.3188 123.6905 61.8725 71.5089 174.0589 37 V 3.7416 8.7158 127.3995 62.0710 30.6627 176.2504 38 L 4.1389 8.5898 127.6794 57.6042 42.5028 177.3024 39 H 4.4272 7.2664 116.4214 55.1645 33.3109 172.1606 40 D 4.8386 9.3992 119.7224 52.9505 43.9445 171.3730 41 P 4.0845 0.0000 0.0000 63.7691 31.8392 177.0255 42 G 3.9064 8.8499 110.9745 45.3487 0.0000 172.7666 43 D 4.5950 8.3010 121.4015 53.2253 41.6940 175.3105 44 P 4.0657 0.0000 0.0000 65.0130 31.4871 177.0202 45 W 4.5458 8.9436 116.6356 56.0864 29.3201 175.6465 46 E 4.0606 7.9374 120.8233 57.8651 29.2298 177.4280 47 G 4.0011 9.3233 114.5393 45.4240 0.0000 173.4955 48 R 4.5202 8.1445 119.4337 55.2560 32.2304 174.9860 49 E 5.0247 8.7588 123.1278 54.9802 30.8252 174.9706 50 L 5.0655 9.6783 128.3024 53.1533 45.1989 176.0904 51 D 5.3177 8.4049 121.3279 51.5469 41.8799 177.2850 52 V 3.6214 8.5346 116.6638 66.0515 31.2943 177.4392 53 A 4.1018 8.1194 120.1146 55.2336 18.3185 179.6615 54 G 3.6229 8.8344 104.5798 48.0056 0.0000 175.0493 55 Y 3.7039 8.4210 122.4825 60.4909 38.7080 178.6190 56 K 3.8744 8.4780 119.5539 59.4059 32.1137 179.2227 57 E 3.8887 8.2134 118.9590 59.2976 29.2962 179.3788 58 R 2.5826 7.4069 118.7035 58.7438 29.8436 178.6356 59 V 2.9932 7.2663 118.1253 65.7700 31.3847 178.0363 60 K 3.8024 7.9725 118.2876 59.7504 31.3353 179.4995 61 T 3.9648 7.9146 115.7421 66.7694 68.2731 176.9131 62 L 4.2760 7.9593 119.5838 57.9462 41.8549 179.5248 63 R 4.2391 8.8310 118.2521 59.2658 29.7849 178.8663 64 A 4.0119 8.0601 119.3511 55.1158 18.3484 179.1819 65 A 4.1140 7.6413 117.7337 54.1253 19.8910 178.1196 66 F 4.8327 8.1322 116.4525 54.8494 40.0441 173.3972 67 P 4.4633 0.0000 0.0000 64.8657 31.5933 177.8426 68 D 4.7975 7.9550 116.9081 52.7298 39.3424 176.1608 69 Q 3.8620 7.9122 118.7878 57.2106 29.8902 175.0559 70 C 4.9507 8.2401 121.2325 57.9019 35.1279 172.4863 71 F 5.0688 9.3761 125.5611 56.3704 40.3499 175.2280 72 D 4.8788 9.5278 122.9864 52.2055 43.2376 174.5337 73 I 4.3934 8.5273 127.0275 62.0385 37.3173 175.7731 74 Q 4.4555 9.6505 126.7385 57.4816 29.6050 176.3101 75 G 4.1488 8.1222 102.8192 44.3933 0.0000 171.7085 76 L 4.9409 7.6566 120.4350 52.6026 45.1358 176.1126 77 F 4.7419 9.5844 122.6649 55.6739 41.7576 173.9696 78 A 4.8897 8.5471 127.0958 50.6556 20.3428 176.1601 79 D 4.4943 9.3317 123.0950 53.9501 45.0192 174.7544 80 G 3.8664 8.3759 117.0738 47.3324 0.0000 173.3600 81 D 4.9188 9.0545 124.1571 52.3526 39.6056 175.1009 82 A 5.3066 8.0183 120.9790 50.5379 23.0759 175.8488 83 V 4.7506 9.0957 119.5542 61.4767 34.9981 175.7726 84 V 4.7429 9.1699 129.2666 61.3810 34.4241 174.2941 *86 T 4.7032 8.2266 109.6460 61.8269 70.3155 172.8396 87 W 5.6487 8.5251 119.0508 55.8867 32.1029 173.2831 88 L 5.2208 9.1943 121.2295 53.3686 44.7264 175.2149 89 W 5.6372 8.5212 128.9813 56.4804 34.3726 173.3465 90 T 4.8741 7.9406 115.2293 60.1737 71.9718 172.4535 91 A 4.5306 7.9704 123.0459 51.2295 23.0730 175.3148 92 T 4.5682 9.2269 117.5013 63.0130 69.8955 175.7542 93 H 5.0543 9.4485 127.7503 54.9420 28.1597 174.9467 94 K 4.3947 8.3422 117.4632 55.9350 34.3070 176.3314 95 E 4.7203 7.9142 120.0370 54.5171 31.9231 175.4790 96 D 4.4978 8.6269 123.4072 54.0991 41.7506 175.9250 97 I 4.5229 8.1583 116.5904 57.6724 40.4338 172.5866 98 P 4.2249 0.0000 0.0000 64.8230 30.9238 176.7542 99 G 3.6600 9.0373 112.5820 45.0010 0.0000 172.6884 100 F 4.5975 7.7430 117.9306 54.4474 39.5978 172.5372 101 P 4.6207 0.0000 0.0000 61.7913 31.9666 176.2998 102 S 3.8886 8.6151 116.7943 58.7460 61.8876 174.4704 103 T 4.2351 8.0932 115.3097 60.5664 69.6292 175.8959 104 G 3.8685 9.0325 113.4174 46.3372 0.0000 174.5909 105 K 4.4386 7.4602 122.4891 54.4763 33.4882 181.3444 106 Q 4.5978 8.5893 120.3559 56.4280 29.5726 175.6003 107 I 4.6972 9.2487 125.5668 59.6254 39.6160 175.0417 108 K 5.6898 9.5526 125.5236 53.6307 35.6240 175.4913 *110 S 4.2436 8.4161 115.1514 58.8514 64.7876 172.5778 111 G 3.1389 7.2910 106.5174 45.0603 0.0000 171.7876 112 A 4.9968 8.6072 121.2241 50.2806 22.6485 175.5830 113 T 5.0089 8.5738 117.4844 61.9362 72.9128 173.1204 114 V 3.9984 9.4217 127.9946 62.5060 33.0259 174.1381 115 Y 4.9710 8.9981 126.1003 56.4995 40.6007 174.2934 116 Y 5.1715 8.7211 121.5831 56.5659 40.4351 174.7939 117 F 5.2961 9.6231 121.5453 55.8824 42.8022 175.0176 118 D 4.6174 9.3104 121.1703 51.8711 43.0757 176.3797 119 G 3.8713 9.2333 119.3991 47.1881 0.0000 172.8717 120 N 4.9127 9.0401 122.2794 53.1016 38.8733 174.5109 121 R 4.8546 7.9661 118.3937 54.1887 32.8841 174.9603 122 L 4.4583 8.7345 121.9727 54.0472 42.6869 177.6724 123 T 4.6194 8.5648 112.1851 60.0126 70.1584 174.1600 124 G 3.4167 6.7935 109.5036 46.6212 0.0000 170.7676 125 H 5.5872 7.8618 113.9521 53.6497 32.6664 172.4929 126 W 5.1721 9.3051 129.6270 55.8780 32.9067 173.8154 127 Q 5.2846 9.1600 128.3630 54.4778 32.5598 173.8361 128 I 4.8490 8.9307 124.8978 59.7498 41.3035 174.7363 129 T 4.7171 8.2457 114.7081 59.2357 72.3557 174.4784 130 D 4.5403 8.3797 123.2003 53.5724 37.6968 177.2299 131 R 3.9738 7.5711 122.5556 58.7576 30.7166 178.3202 132 L 3.9454 7.8483 120.1022 57.8229 42.0551 178.8509 133 G 3.7480 8.1667 107.1053 47.1644 0.0000 175.6447 134 V 3.5549 7.4748 121.0153 65.6771 31.6590 177.1101 135 Y 3.9589 8.2567 119.5586 61.0306 38.5624 178.3453 136 Q 4.0348 8.7848 118.9002 59.1978 28.8742 178.9070 137 Q 3.9982 8.3215 119.2243 58.9775 28.7327 178.8985 138 L 3.8144 8.1252 120.3848 57.4781 41.2220 179.8249 139 R 3.8325 7.1007 117.1028 59.4590 30.1314 178.9316 140 Q 4.1284 7.8935 116.0958 58.5464 28.6591 178.4637 141 A 4.1227 7.8592 121.2103 55.1224 18.6486 177.7173 142 A 4.3448 7.9794 122.1675 52.5274 18.7070 177.1318 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 0 G 8.35 3.73 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 0.00 0.00 0.00 *2 S 8.49 4.48 0.00 3.99 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 3 I 8.27 4.23 1.47 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.60 0.44 0.00 0.00 4 S 8.18 4.78 0.00 3.90 4.07 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 5 S 8.75 4.13 0.00 3.97 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 7.87 4.39 0.00 1.87 1.85 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.35 7.81 7 A 7.75 3.74 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.86 3.93 0.00 1.77 1.84 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.46 7.81 9 E 8.11 3.99 0.00 2.16 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 0.00 2.41 2.40 0.00 10 I 8.28 3.84 2.23 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 1.69 0.72 1.15 0.00 0.00 11 L 8.26 4.03 0.00 1.93 1.77 1.17 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.12 3.85 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 1.23 0.00 0.00 13 Q 8.32 3.93 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.57 2.44 0.00 14 F 8.18 3.05 0.00 1.51 2.77 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 15 T 7.91 3.19 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 0.94 0.00 0.00 16 R 7.83 3.83 0.00 1.97 2.06 0.00 3.10 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 17 E 8.65 4.06 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 2.37 2.50 0.00 18 V 7.76 3.46 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 1.08 0.00 0.00 19 W 7.41 4.09 0.00 2.88 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 20 S 8.14 4.79 0.00 4.05 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 21 E 8.23 4.50 0.00 2.15 1.96 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 2.25 2.37 0.00 22 G 7.51 3.73 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 0.00 0.00 0.00 23 N 8.21 4.58 0.00 2.69 2.75 0.00 0.00 7.25 7.74 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 24 I 7.68 3.54 1.79 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.56 0.80 0.00 0.00 25 E 8.16 4.05 0.00 1.95 1.98 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 2.37 2.30 0.00 26 A 8.15 4.10 1.56 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 27 S 8.18 4.29 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 28 D 7.93 4.32 0.00 2.68 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 29 K 7.76 3.95 0.00 0.79 1.22 0.00 1.41 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.26 1.25 7.81 30 Y 7.47 4.60 0.00 2.84 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.52 4.17 1.60 0.00 0.00 -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 1.01 -0.36 0.58 0.00 0.00 32 A 8.73 4.30 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 33 P 0.00 4.55 0.00 2.21 2.14 0.00 3.55 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 2.12 2.12 0.00 34 K 7.76 5.00 0.00 1.94 1.71 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.33 1.21 7.81 35 Y 9.39 4.82 0.00 2.97 2.86 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 36 T 8.32 5.06 4.12 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 1.19 0.00 0.00 37 V 8.72 3.74 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.20 0.00 0.00 38 L 8.59 4.14 0.00 1.89 1.87 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 39 H 7.27 4.43 0.00 2.64 1.51 0.00 5.91 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 9.40 4.84 0.00 2.64 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 41 P 0.00 4.08 0.00 1.95 1.91 0.00 3.60 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.80 0.00 42 G 8.85 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 0.00 0.00 0.00 43 D 8.30 4.59 0.00 2.81 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 44 P 0.00 4.07 0.00 0.68 1.59 0.00 4.10 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.00 0.00 45 W 8.94 4.55 0.00 3.71 3.19 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 46 E 7.94 4.06 0.00 2.04 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 2.27 2.24 0.00 47 G 9.32 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 48 R 8.14 4.52 0.00 2.11 2.01 0.00 3.10 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 49 E 8.76 5.02 0.00 2.02 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 2.38 0.00 50 L 9.68 5.07 0.00 1.90 1.68 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.40 5.32 0.00 2.84 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 52 V 8.53 3.62 2.09 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 1.15 0.00 0.00 0.92 0.00 0.00 53 A 8.12 4.10 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 54 G 8.83 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.42 3.70 0.00 2.88 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 56 K 8.48 3.87 0.00 1.97 1.80 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.75 7.81 57 E 8.21 3.89 0.00 2.16 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 0.00 2.57 2.52 0.00 58 R 7.41 2.58 0.00 0.67 1.16 0.00 2.36 0.00 0.00 2.64 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.00 59 V 7.27 2.99 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 -0.17 0.00 0.00 0.33 0.00 0.00 60 K 7.97 3.80 0.00 1.95 1.82 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.59 7.81 61 T 7.91 3.96 4.59 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 1.54 0.00 0.00 62 L 7.96 4.28 0.00 2.00 2.16 1.23 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.83 4.24 0.00 1.79 1.97 0.00 3.46 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 64 A 8.06 4.01 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 65 A 7.64 4.11 1.43 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 0.00 0.00 66 F 8.13 4.83 0.00 3.33 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 67 P 0.00 4.46 0.00 2.19 2.21 0.00 3.78 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 68 D 7.96 4.80 0.00 2.76 2.77 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 69 Q 7.91 3.86 0.00 1.53 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.74 0.00 70 C 8.24 4.95 0.00 2.82 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 71 F 9.38 5.07 0.00 2.85 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 72 D 9.53 4.88 0.00 2.77 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 73 I 8.53 4.39 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.76 1.01 0.00 0.00 74 Q 9.65 4.46 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 75 G 8.12 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 76 L 7.66 4.94 0.00 1.32 1.47 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 77 F 9.58 4.74 0.00 2.91 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 78 A 8.55 4.89 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 79 D 9.33 4.49 0.00 2.63 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.38 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 81 D 9.05 4.92 0.00 3.17 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 82 A 8.02 5.31 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.10 4.75 2.41 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 1.10 0.00 0.00 0.77 0.00 0.00 84 V 9.17 4.74 2.34 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 1.09 0.00 0.00 0.94 0.00 0.00 *86 T 8.23 4.70 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 1.34 0.00 0.00 87 W 8.53 5.65 0.00 3.66 3.34 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 88 L 9.19 5.22 0.00 1.73 1.71 1.02 1.14 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 89 W 8.52 5.64 0.00 3.46 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 90 T 7.94 4.87 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 91 A 7.97 4.53 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 92 T 9.23 4.57 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 1.25 0.00 0.00 93 H 9.45 5.05 0.00 3.35 3.36 0.00 5.55 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.34 4.39 0.00 1.75 1.87 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.42 7.81 95 E 7.91 4.72 0.00 1.86 1.80 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 2.17 2.40 0.00 96 D 8.63 4.50 0.00 2.65 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 97 I 8.16 4.52 1.94 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 1.52 1.10 0.76 0.00 0.00 98 P 0.00 4.22 0.00 2.14 2.13 0.00 3.78 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 2.09 2.14 0.00 99 G 9.04 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 0.00 100 F 7.74 4.60 0.00 3.17 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 0.00 101 P 0.00 4.62 0.00 2.03 2.05 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 102 S 8.62 3.89 0.00 3.91 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 0.00 103 T 8.09 4.24 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 1.39 0.00 0.00 104 G 9.03 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 0.00 105 K 7.46 4.44 0.00 1.50 1.69 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.29 7.81 106 Q 8.59 4.60 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 107 I 9.25 4.70 1.89 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 1.37 1.39 1.08 0.00 0.00 108 K 9.55 5.69 0.00 1.60 1.74 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.19 7.81 *110 S 8.42 4.24 0.00 3.78 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 0.00 111 G 7.29 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 0.00 0.00 0.00 112 A 8.61 5.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.57 5.01 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 0.67 0.00 0.00 114 V 9.42 4.00 2.15 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 0.45 0.00 0.00 0.94 0.00 0.00 115 Y 9.00 4.97 0.00 3.19 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 0.00 116 Y 8.72 5.17 0.00 2.96 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 0.00 117 F 9.62 5.30 0.00 2.95 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 0.00 118 D 9.31 4.62 0.00 2.67 2.56 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 0.00 119 G 9.23 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 0.00 120 N 9.04 4.91 0.00 2.76 2.95 0.00 0.00 6.60 7.66 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 0.00 121 R 7.97 4.85 0.00 2.01 1.87 0.00 3.11 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 122 L 8.73 4.46 0.00 1.51 1.58 -0.62 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.56 4.62 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 1.24 0.00 0.00 124 G 6.79 3.42 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 0.00 125 H 7.86 5.59 0.00 2.85 3.01 0.00 5.21 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 W 9.31 5.17 0.00 3.62 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 0.00 127 Q 9.16 5.28 0.00 2.12 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.54 0.00 0.00 0.00 0.00 0.00 2.29 2.63 0.00 128 I 8.93 4.85 1.89 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 1.43 1.15 0.86 0.00 0.00 129 T 8.25 4.72 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 1.41 0.00 0.00 130 D 8.38 4.54 0.00 2.66 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.57 3.97 0.00 1.82 1.93 0.00 3.16 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 132 L 7.85 3.95 0.00 1.64 1.59 0.69 0.98 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 0.00 133 G 8.17 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 0.00 0.00 0.00 134 V 7.47 3.55 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 1.03 0.00 0.00 0.80 0.00 0.00 135 Y 8.26 3.96 0.00 3.06 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 0.00 136 Q 8.78 4.03 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.67 0.00 137 Q 8.32 4.00 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 138 L 8.13 3.81 0.00 1.03 0.57 0.81 0.55 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 0.00 139 R 7.10 3.83 0.00 1.92 1.97 0.00 3.34 0.00 0.00 2.70 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 140 Q 7.89 4.13 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 141 A 7.86 4.12 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 4.34 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.