NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3669 8.1627 120.3162 54.9760 33.4956 175.6229 2 E 3.5697 8.4222 121.4541 59.4385 29.7344 178.0938 3 K 3.9716 8.0058 117.9017 58.6155 32.9640 178.6347 4 K 3.9406 7.8665 119.2449 58.5223 32.0598 178.4873 5 K 3.5945 7.1929 119.2809 58.8051 32.1803 178.5906 6 V 3.0005 6.7681 117.9820 65.8027 31.2958 177.7935 7 A 3.9353 7.6323 120.1982 55.2463 18.0053 179.2700 8 E 3.8722 7.8353 116.5742 58.9574 29.9462 178.8425 9 W 4.5585 8.0784 119.1586 59.9554 29.2831 178.2682 10 L 4.0814 8.4755 119.0735 57.9086 40.9000 178.9716 11 A 4.2307 8.1162 118.0988 53.4998 18.4152 178.7345 12 Q 4.0685 7.9212 118.1001 57.6119 29.5267 176.9327 13 G 3.9268 7.9796 107.3454 44.6871 0.0000 172.3970 14 S 4.6617 8.1363 112.5076 56.8158 66.8325 173.4836 15 I 4.1186 8.1786 123.5558 59.8250 38.0060 175.5227 16 A 4.1599 8.5479 128.9777 51.3720 18.2301 176.8308 17 V 4.1845 8.1230 123.3533 61.1210 32.1155 174.4766 18 P 4.4134 0.0000 0.0000 63.0773 32.7345 177.6080 19 K 4.1262 8.8246 121.2846 59.3359 31.5594 179.6318 20 L 4.1322 8.0502 119.2006 57.7583 41.6818 179.0585 21 L 3.7587 8.0382 119.8494 58.0058 41.9017 178.6115 22 L 4.3148 7.9357 119.6150 58.0732 42.2042 178.7685 23 G 3.7823 8.4031 104.1328 46.7698 0.0000 173.7339 24 H 4.8035 7.7097 115.0842 55.0986 31.7744 174.6250 25 Y 4.1779 8.2020 119.8406 59.7729 38.1588 178.9594 26 K 3.8397 7.1405 121.2987 59.3436 32.4881 178.4380 27 Q 3.8701 7.8856 115.9758 58.9409 28.5700 178.1845 28 L 4.1242 7.2635 114.0644 55.0900 42.0395 177.6747 29 G 3.9123 8.3893 107.4435 45.3041 0.0000 173.4193 30 L 4.6146 7.8402 119.0484 53.6673 42.9165 177.2818 31 G 4.1235 9.9928 109.4427 43.4487 0.0000 175.0086 32 E 3.8782 8.5945 119.1639 59.1065 29.4329 179.9436 33 G 3.5721 7.9480 105.4964 47.5116 0.0000 175.5786 34 E 3.8596 8.0088 120.3973 59.0556 29.5961 178.6367 35 L 3.7050 7.7920 120.5247 58.4197 41.9241 179.3763 36 V 3.4333 7.6767 117.8023 65.5839 31.3561 177.4713 37 L 3.9183 8.1341 120.5860 58.3968 41.7904 179.0501 38 L 3.8677 8.0384 118.9469 57.6390 41.4224 179.6692 39 L 3.8720 7.8434 118.9307 58.1076 41.5289 179.0696 40 H 4.0449 8.1657 116.3914 59.1223 28.5260 177.7549 41 M 3.9209 8.1023 120.4135 58.2982 31.7376 178.3857 42 Q 3.6172 7.9002 119.8888 59.2932 28.7193 178.4736 43 S 4.0340 8.0562 113.9680 61.3595 62.3010 176.1504 44 F 4.2865 8.1953 120.5608 60.7577 38.5844 177.7312 45 F 4.6875 8.5363 117.3922 60.3354 38.4332 176.9673 46 E 4.4037 8.1159 116.6641 57.6207 29.6277 177.3821 47 E 4.5157 7.7143 116.9364 55.8250 29.8820 177.1407 48 G 3.9043 7.9657 107.8166 45.3438 0.0000 174.5325 49 V 4.0399 7.9062 119.8638 62.1190 30.3807 175.4183 50 L 4.6012 8.4431 127.1141 55.5406 42.8401 176.6585 51 F 5.1515 7.8481 119.6938 55.7787 39.1991 172.3488 52 P 4.2519 0.0000 0.0000 62.9795 32.2587 177.6097 53 T 4.1133 8.3356 111.3277 60.7722 71.1384 174.2698 54 P 4.1873 0.0000 0.0000 65.3036 31.2060 178.9134 55 A 3.9834 7.8914 119.5260 55.0474 18.1048 179.3447 56 E 3.9168 8.1315 116.4227 59.6536 29.6180 179.2478 57 L 4.2626 7.7161 117.4252 57.7270 41.9631 179.0480 58 A 4.1698 8.0916 120.2697 54.0320 18.3097 178.9108 59 E 3.8289 7.6894 118.0228 59.3019 29.6448 177.9348 60 R 4.3519 7.8144 113.6320 56.1057 30.4454 175.4604 61 M 4.6222 7.5006 118.2018 53.6138 34.2804 176.0868 62 T 4.1689 8.2258 108.6435 62.7723 69.5688 175.3432 63 V 4.2111 7.3261 115.7382 60.3256 33.0776 176.3266 64 S 4.4342 8.7224 117.6681 57.6432 65.1194 175.2767 65 A 3.9164 8.4802 123.4238 55.4424 18.0634 179.8260 66 A 3.9276 7.9153 118.6567 55.2270 18.4364 179.5466 67 E 3.9019 8.1891 117.2404 59.6001 29.4466 178.9755 68 C 3.9991 8.2613 118.9125 62.7691 31.6080 175.3939 69 M 3.9897 8.2125 119.7455 58.6254 31.7385 178.0063 70 E 3.9774 8.2587 118.7330 59.7085 29.6549 179.3106 71 M 4.0208 8.3554 119.0623 58.1987 31.9234 178.8410 72 V 3.4376 8.0080 118.7346 66.1037 31.7021 178.0220 73 R 3.9331 8.4037 117.9965 59.5964 29.9091 179.0618 74 R 3.9361 8.3412 118.5139 59.3145 30.0388 178.5695 75 L 3.9702 8.4718 119.3663 57.5021 41.6384 179.2724 76 L 4.1812 8.2557 119.3328 58.1829 41.4300 179.6548 77 Q 4.0437 7.8992 116.2760 58.9189 28.7645 178.6982 78 K 4.2291 8.2300 117.7515 56.7464 32.2571 177.3700 79 G 3.8736 7.8008 107.0222 46.9596 0.0000 174.8220 80 M 4.2302 7.9690 121.5630 56.1006 32.6417 176.2488 81 I 5.0814 7.4813 109.3844 59.1614 41.4239 174.2453 82 A 4.8994 8.8426 122.3708 50.8162 22.9599 175.1250 83 I 4.9621 8.3661 119.3104 60.3046 39.4495 175.1724 84 E 4.5805 8.7684 125.3304 55.5745 34.6705 176.2218 *85 E 4.2020 8.4991 113.9521 55.8712 31.4642 176.5035 *95 E 3.3808 8.3912 117.4145 55.0378 31.8043 175.5111 96 K 4.8398 8.0235 118.7788 55.2873 36.2557 175.4403 97 Y 5.1669 8.9673 120.4107 58.3528 39.1725 174.9203 98 T 4.7905 9.3529 116.7511 60.0529 71.3300 174.2275 99 L 4.6512 8.8970 125.5390 54.7456 42.1749 178.3239 100 E 4.1079 8.2095 121.5878 59.2633 29.6236 177.2309 101 P 4.3150 0.0000 0.0000 65.3237 31.3092 178.0833 102 L 3.8265 8.0197 118.7395 58.2638 41.8560 179.1365 103 W 4.1586 8.0348 118.0126 59.5807 28.9245 178.5358 104 E 4.0799 8.4294 118.8279 59.3879 28.9866 179.4089 105 K 3.9735 8.0805 118.5356 59.3933 32.0522 179.2001 106 L 3.9370 8.1496 120.7639 58.1622 42.0067 179.0460 107 V 3.7655 8.7295 118.6744 66.2373 31.3357 177.3566 108 H 4.0959 8.4103 117.9711 59.5856 29.7628 176.5349 109 H 4.1283 8.3719 119.7930 59.5060 29.7364 177.1724 110 L 4.0023 8.3895 121.0145 57.8162 41.2991 179.1037 111 Y 3.9097 8.5358 117.0922 61.4770 37.7934 178.4259 112 T 3.8702 8.6139 116.8788 67.0826 68.6484 176.1186 113 Q 3.8786 8.5408 121.1073 59.2175 29.0307 178.3981 114 A 3.9631 8.0393 121.4421 55.2808 18.2033 179.5591 115 A 4.0561 8.0479 118.5492 54.8058 18.5572 178.9193 116 Q 4.3331 8.1294 113.6290 56.9261 29.0631 176.3532 117 Q 4.4696 7.1062 118.5078 56.2188 28.7145 175.8077 118 G 4.0953 8.0548 109.7706 44.2717 0.0000 173.3456 119 E 5.3837 7.9412 129.7306 56.3268 31.3682 177.8076 *120 L 4.1530 7.4759 124.3613 54.5524 41.6744 178.6241 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 1 M 8.16 4.37 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 2 E 8.42 3.57 0.00 2.10 1.89 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 2.35 2.44 0.00 3 K 8.01 3.97 0.00 1.77 1.76 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.43 7.81 4 K 7.87 3.94 0.00 1.71 1.72 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.39 7.81 5 K 7.19 3.59 0.00 1.94 1.52 0.00 1.85 0.00 0.00 0.97 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.17 0.21 7.81 6 V 6.77 3.00 1.89 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 1.03 0.00 0.00 0.69 0.00 0.00 7 A 7.63 3.94 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 8 E 7.84 3.87 0.00 1.96 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 2.46 2.41 0.00 9 W 8.08 4.56 0.00 3.63 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 10 L 8.48 4.08 0.00 1.83 1.77 0.95 0.82 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 11 A 8.12 4.23 1.38 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 0.00 0.00 0.00 12 Q 7.92 4.07 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.62 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 13 G 7.98 3.93 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 0.00 0.00 0.00 14 S 8.14 4.66 0.00 3.80 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.18 4.12 1.83 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 1.32 0.39 0.89 0.00 0.00 16 A 8.55 4.16 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 17 V 8.12 4.18 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 0.87 0.00 0.00 0.92 0.00 0.00 18 P 0.00 4.41 0.00 2.59 2.27 0.00 3.84 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.36 0.00 19 K 8.82 4.13 0.00 1.86 1.92 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.57 7.81 20 L 8.05 4.13 0.00 1.97 1.89 1.07 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.04 3.76 0.00 1.72 1.85 0.63 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.94 4.31 0.00 1.84 1.92 1.00 1.16 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 23 G 8.40 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 24 H 7.71 4.80 0.00 3.05 3.12 0.00 5.83 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.20 4.18 0.00 3.15 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.14 3.84 0.00 1.32 1.07 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.34 7.81 27 Q 7.89 3.87 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.75 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 28 L 7.26 4.12 0.00 1.78 1.67 0.83 0.82 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 29 G 8.39 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 30 L 7.84 4.61 0.00 1.98 1.65 0.88 0.70 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 31 G 9.99 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 0.00 0.00 0.00 0.00 32 E 8.59 3.88 0.00 2.06 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 2.43 2.46 0.00 33 G 7.95 3.57 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 0.00 0.00 0.00 34 E 8.01 3.86 0.00 2.16 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 2.36 2.33 0.00 35 L 7.79 3.71 0.00 1.08 1.40 0.68 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.68 3.43 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.90 0.00 0.00 37 L 8.13 3.92 0.00 1.75 1.82 0.85 0.58 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 38 L 8.04 3.87 0.00 1.83 1.64 0.82 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.84 3.87 0.00 1.61 1.58 0.81 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.17 4.04 0.00 3.26 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 M 8.10 3.92 0.00 1.38 1.87 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.31 0.00 42 Q 7.90 3.62 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 43 S 8.06 4.03 0.00 3.88 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 44 F 8.20 4.29 0.00 3.21 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 45 F 8.54 4.69 0.00 3.26 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 46 E 8.12 4.40 0.00 2.00 2.05 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 2.39 2.56 0.00 47 E 7.71 4.52 0.00 2.24 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 0.00 2.32 2.32 0.00 48 G 7.97 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 0.00 0.00 0.00 49 V 7.91 4.04 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 0.81 0.00 0.00 1.12 0.00 0.00 50 L 8.44 4.60 0.00 1.80 1.60 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 51 F 7.85 5.15 0.00 2.85 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 52 P 0.00 4.25 0.00 1.65 1.05 0.00 4.27 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 53 T 8.34 4.11 4.16 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 1.15 0.00 0.00 54 P 0.00 4.19 0.00 2.13 2.15 0.00 3.53 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 2.06 2.07 0.00 55 A 7.89 3.98 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 56 E 8.13 3.92 0.00 1.74 1.61 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 2.31 2.27 0.00 57 L 7.72 4.26 0.00 1.58 1.74 0.75 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.09 4.17 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 59 E 7.69 3.83 0.00 2.04 2.25 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 2.36 2.35 0.00 60 R 7.81 4.35 0.00 1.52 1.83 0.00 3.11 0.00 0.00 3.06 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 61 M 7.50 4.62 0.00 1.98 1.94 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 2.70 2.38 0.00 62 T 8.23 4.17 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 1.19 0.00 0.00 63 V 7.33 4.21 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 0.74 0.00 0.00 0.91 0.00 0.00 64 S 8.72 4.43 0.00 4.05 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 65 A 8.48 3.92 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 A 7.92 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.19 3.90 0.00 2.15 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 2.32 2.30 0.00 68 C 8.26 4.00 0.00 2.99 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 M 8.21 3.99 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 70 E 8.26 3.98 0.00 2.18 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 0.00 2.32 2.34 0.00 71 M 8.36 4.02 0.00 1.99 2.16 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 2.77 2.52 0.00 72 V 8.01 3.44 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 1.02 0.00 0.00 0.78 0.00 0.00 73 R 8.40 3.93 0.00 2.05 1.99 0.00 3.19 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 74 R 8.34 3.94 0.00 1.84 2.04 0.00 3.09 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 75 L 8.47 3.97 0.00 1.79 1.66 0.83 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.26 4.18 0.00 1.89 1.78 1.06 1.01 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 77 Q 7.90 4.04 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 78 K 8.23 4.23 0.00 1.72 1.86 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.59 7.81 79 G 7.80 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 80 M 7.97 4.23 0.00 2.00 2.11 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 2.56 2.59 0.00 81 I 7.48 5.08 2.10 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 1.29 0.77 0.92 0.00 0.00 82 A 8.84 4.90 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 83 I 8.37 4.96 1.92 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.88 0.81 0.00 0.00 84 E 8.77 4.58 0.00 1.84 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 2.21 2.26 0.00 *85 E 8.50 4.20 0.00 1.73 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 2.13 2.37 0.00 *95 E 8.39 3.38 0.00 1.70 1.79 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 1.99 2.29 0.00 96 K 8.02 4.84 0.00 1.76 1.74 0.00 1.15 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.20 1.31 7.81 97 Y 8.97 5.17 0.00 3.45 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 9.35 4.79 4.27 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 1.46 0.00 0.00 99 L 8.90 4.65 0.00 2.09 1.96 1.16 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.21 4.11 0.00 2.21 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 2.40 2.58 0.00 101 P 0.00 4.31 0.00 2.31 2.13 0.00 3.82 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 2.13 2.21 0.00 102 L 8.02 3.83 0.00 1.86 1.85 0.71 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 103 W 8.03 4.16 0.00 3.76 3.37 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 0.00 104 E 8.43 4.08 0.00 2.25 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 0.00 2.43 2.68 0.00 105 K 8.08 3.97 0.00 1.79 1.85 0.00 1.76 0.00 0.00 1.56 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 106 L 8.15 3.94 0.00 1.59 1.83 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.73 3.77 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 1.30 0.00 0.00 1.17 0.00 0.00 108 H 8.41 4.10 0.00 3.57 3.45 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 H 8.37 4.13 0.00 3.34 3.50 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.39 4.00 0.00 1.84 1.64 1.00 0.64 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 0.00 111 Y 8.54 3.91 0.00 3.24 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 0.00 112 T 8.61 3.87 4.42 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 1.24 0.00 0.00 113 Q 8.54 3.88 0.00 1.92 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 114 A 8.04 3.96 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 0.00 115 A 8.05 4.06 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 0.00 116 Q 8.13 4.33 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.21 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 117 Q 7.11 4.47 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.24 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 118 G 8.05 4.10 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 0.00 0.00 0.00 119 E 7.94 5.38 0.00 2.03 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 0.00 2.10 2.07 0.00 *120 L 7.48 4.15 0.00 1.45 1.47 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.