NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6015 8.2227 120.3156 53.4570 40.7645 176.1702 3 Q 3.6151 8.7176 125.0210 58.8954 29.5499 175.0572 4 E 3.8784 8.3377 120.0905 59.1245 29.9290 177.8415 5 T 4.0802 7.7137 109.7183 64.5562 69.0231 176.1835 6 V 3.7067 7.7023 121.0259 65.6866 31.1894 178.2411 7 G 3.6217 8.4138 105.6629 47.7793 0.0000 176.9550 8 N 4.9193 7.8733 116.8620 52.6204 37.9591 177.1046 9 V 4.4804 8.8430 110.8648 60.8934 38.3899 176.5113 10 V 3.5730 7.8115 120.0796 66.2847 31.0651 177.6119 11 L 3.9122 7.9434 117.6322 58.0822 41.5182 179.4863 12 L 3.3776 7.6582 117.7767 57.3149 41.2507 179.3436 13 A 4.2494 8.3227 121.0320 55.6611 18.3829 179.1395 14 I 3.6258 8.3719 118.6344 64.7892 37.1040 178.5663 15 V 3.5805 8.1507 119.4787 65.5678 31.0856 178.4482 16 T 4.0199 7.8597 117.6114 65.7696 68.3491 176.5916 17 L 4.1190 8.4574 121.1136 57.7356 41.5438 179.5238 18 I 3.7066 7.9604 120.3384 64.4245 36.6408 178.3824 19 S 4.2247 8.5257 115.5220 61.6740 62.3296 177.0267 20 V 3.6127 7.6795 121.9740 64.4753 31.4588 178.4440 21 V 3.7642 7.7740 119.1633 65.6557 31.4763 177.9002 22 Q 4.2155 8.5006 117.8780 59.7396 28.2510 178.1319 23 N 3.7587 8.4029 119.0590 55.9576 38.4629 177.5701 24 G 3.6220 8.0345 106.8420 47.5205 0.0000 175.4274 25 F 4.5468 8.3822 122.8177 61.4012 38.8768 176.7045 26 F 3.9817 8.8461 116.9619 60.8113 38.5967 177.5048 27 A 4.2312 7.7797 117.4794 54.1296 18.3050 178.5131 28 H 4.5407 8.2386 117.3716 58.8017 28.9026 177.2256 29 K 3.9600 8.6503 120.0198 58.7172 31.6031 179.0267 30 V 4.1904 7.5818 118.0233 65.3134 31.4953 177.4796 31 E 4.0890 8.5135 119.6898 59.3336 29.4416 178.3388 32 H 4.1940 8.1721 115.9118 59.1955 28.4606 177.4611 33 E 3.8659 7.5881 119.7395 59.1368 29.0560 178.9272 34 S 3.2330 7.0391 111.2921 59.4831 62.6951 175.6767 35 R 3.9081 7.2771 121.7167 59.6902 29.8867 178.0948 36 T 3.8728 7.4033 107.7706 64.2092 68.4600 175.7921 37 Q 3.9040 6.9651 122.6381 59.1127 29.2450 176.8565 38 N 4.2514 7.7660 114.7990 54.6224 37.8535 174.4807 39 G 3.8844 7.8819 102.4432 43.7193 0.0000 174.7861 40 R 3.6888 8.0013 113.2535 56.3620 28.7051 176.1094 41 S 4.5942 7.6272 111.4535 56.5816 64.6248 173.8174 42 F 4.3322 9.6419 125.1219 57.4132 39.2989 175.0769 43 Q 4.7889 8.5483 123.6436 53.6378 31.9075 176.5188 44 R 3.7213 8.5313 115.7615 57.5810 29.5412 176.2093 45 T 4.4688 8.2662 108.6706 59.6051 71.8532 174.5814 46 G 3.6646 8.5788 107.7310 44.8521 0.0000 172.9449 47 T 3.8114 7.7600 113.1630 62.4791 68.2117 174.9264 48 L 3.9433 8.7360 129.1158 58.6816 42.2180 179.0815 49 A 4.5243 8.1624 119.7765 55.3137 18.0719 179.1901 50 F 4.5140 8.0811 118.4090 61.3454 39.8098 177.3618 51 E 3.6940 8.7811 119.0580 59.3703 29.2604 179.3675 52 R 3.6948 9.3531 119.0507 59.2001 30.0411 178.6348 53 V 3.6155 7.7867 117.7841 66.0805 31.5775 177.0276 54 Y 4.3807 8.4298 119.3123 61.3233 38.3391 178.5965 55 T 3.6817 7.4827 114.2385 66.4832 68.7593 175.8338 56 A 4.2470 7.4718 122.5285 55.4792 18.3788 179.2967 57 N 3.9010 8.2414 115.5258 56.6157 38.8755 176.3285 58 Q 4.0148 8.1542 117.5807 57.1870 28.6598 176.3255 59 N 4.8926 7.7619 117.3604 55.9928 39.6078 176.7106 60 C 3.8570 7.9993 117.1739 61.8451 28.0307 176.0336 61 V 3.5820 7.7629 120.7976 65.8249 31.2509 177.4067 62 D 4.4036 7.5663 117.4052 55.9416 41.3656 177.8924 63 A 4.1895 7.6225 122.1352 55.4447 18.9915 178.9390 64 Y 4.5903 7.9228 117.8855 60.5308 39.0073 176.1357 65 P 4.1417 0.0000 0.0000 66.9642 30.6234 178.1467 66 T 3.8524 7.9193 115.6340 65.5768 68.3644 176.0892 67 F 4.5535 8.3407 122.9838 61.2053 39.6223 177.0015 68 L 3.1571 8.3831 118.8557 58.2548 41.3810 178.6609 69 A 3.8651 8.2837 119.8148 56.2492 18.1469 179.9148 70 V 3.9685 7.9530 109.4385 63.2808 31.9013 178.4288 71 L 3.7464 8.1539 120.6636 58.2092 41.6855 179.3067 72 W 3.8493 8.1914 118.3901 59.7354 29.3002 178.5843 73 S 4.0626 8.0964 114.0008 61.8382 62.1155 176.6198 74 A 4.0770 7.9093 125.7585 54.0940 18.0434 179.3658 75 G 3.6510 7.7084 101.4110 46.1039 0.0000 174.2545 76 L 4.5535 7.5850 119.0930 56.6408 43.6524 178.3713 77 L 4.0593 8.2452 118.9272 55.1263 41.4987 178.6905 78 C 4.4113 8.3075 115.2774 59.4244 31.7913 175.2589 79 S 4.8045 8.4008 109.7707 57.6619 62.4553 174.0023 80 Q 4.4765 9.7007 121.8899 55.5699 35.9929 175.8956 81 V 3.7217 7.7484 117.9967 64.5467 31.0327 176.4371 82 P 4.2309 0.0000 0.0000 65.1901 31.3589 178.1990 83 A 3.7406 7.9712 118.8519 55.1767 18.0349 179.1103 84 A 3.7629 8.6903 118.5682 55.3252 18.6507 179.4536 85 F 4.0797 8.2785 118.6018 61.3921 39.3483 176.8938 86 A 4.3164 8.6041 119.6303 55.6240 18.4443 179.5724 87 G 3.9722 8.4186 104.0977 47.6542 0.0000 175.4715 88 L 3.7270 7.6083 120.7039 55.4017 41.9176 177.9918 *90 Y 4.7230 7.8161 119.2457 57.1726 40.6112 176.7504 91 L 3.7894 7.5936 119.4698 57.9390 41.4761 179.8637 92 F 4.6446 7.9188 117.5516 60.8431 38.9267 177.9135 93 V 3.8062 8.1635 117.3735 66.1944 31.2399 178.0952 94 R 4.5911 8.8598 118.3473 59.3607 29.9101 178.7134 95 Q 4.2802 8.3238 119.1302 59.4744 29.1099 178.4200 96 K 4.0368 8.6207 119.8826 59.7605 31.8838 178.5694 97 Y 4.3026 8.5511 120.0692 60.7181 38.8085 177.3829 98 F 4.1584 9.0223 121.7937 61.4462 39.2815 177.5460 99 V 3.3187 8.2649 118.1496 65.7982 31.2639 177.8890 100 G 3.8529 8.2562 102.4079 46.3025 0.0000 173.6328 101 Y 4.8954 7.4440 120.9588 58.7278 39.9857 176.2901 102 L 4.3901 7.8623 118.9066 55.5362 42.5542 177.4224 103 G 3.6583 7.9307 104.0687 45.1846 0.0000 175.2833 104 E 3.4729 6.8901 114.7690 57.0533 30.2196 175.5979 105 R 4.4218 8.6580 122.0874 56.3400 30.5104 176.4281 106 T 3.7751 8.0119 121.6736 62.4915 66.4664 171.4136 107 Q 4.5857 7.5092 122.9826 54.3598 31.2592 175.1201 108 S 4.6063 8.3362 115.9247 57.5558 65.6086 174.4337 109 T 4.5348 8.3054 117.7078 61.4104 69.6146 171.6193 110 P 4.6811 0.0000 0.0000 62.2078 33.3718 175.2734 111 G 4.4760 7.7754 107.1258 44.9421 0.0000 172.0261 112 Y 3.2962 10.2309 116.2084 60.7740 36.0357 171.0180 113 I 3.5241 9.1734 124.2894 62.1023 36.1567 172.9004 114 F 4.7149 8.1807 123.2795 56.1571 42.0529 177.8744 115 G 3.8121 7.4602 112.6803 45.0322 0.0000 174.8994 116 K 3.7446 8.2333 123.9289 60.4683 32.4661 178.8623 117 R 3.8391 8.0865 116.5586 59.5339 28.9200 178.3270 118 I 3.8263 7.7706 120.4464 64.2882 37.1415 178.4095 119 I 3.9020 7.5095 112.6631 63.2409 37.6675 177.7529 120 L 3.9386 8.4867 123.4440 57.9505 41.7023 178.6009 121 F 4.4288 8.8096 119.8484 61.6121 39.5292 176.5895 122 L 3.6477 7.6855 117.1108 57.7553 41.6728 179.1673 123 F 4.2313 8.4886 120.8113 60.9955 39.3201 178.5338 124 L 4.4408 8.1818 118.4668 54.7729 41.1663 179.6216 *126 S 4.2420 8.0873 115.8332 58.6178 64.5312 176.7408 127 V 3.6287 7.6551 117.8913 64.2057 31.1098 176.9727 128 A 4.2588 8.5685 123.7609 53.5521 17.9411 179.0979 129 G 4.2330 8.2194 104.1309 46.5197 0.0000 174.6685 130 I 3.4603 7.5904 119.7514 63.6278 38.0322 177.2183 131 F 4.2999 8.4529 121.3314 60.8064 39.6919 176.9962 132 N 3.3155 8.1926 116.0231 56.6238 38.4476 175.9214 133 Y 3.9183 8.4477 121.2001 60.8568 38.8084 177.5295 134 Y 4.1959 7.9382 117.4223 60.6261 37.6804 178.7003 135 L 3.3379 7.0614 119.8370 57.5616 41.7653 179.0519 136 I 3.0690 7.1542 118.5678 64.2673 37.0383 177.9474 137 F 4.4824 7.4759 120.9675 60.6100 39.2135 176.7489 138 F 4.5407 7.2534 116.1661 59.0946 40.3975 177.5526 139 F 5.0312 8.6528 117.8426 57.1044 38.2782 176.4548 140 G 3.7837 7.7947 113.3974 45.7915 0.0000 172.0173 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 D 8.22 4.60 0.00 2.84 2.88 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 3 Q 8.72 3.62 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.04 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 4 E 8.34 3.88 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 5 T 7.71 4.08 4.25 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 1.40 0.00 0.00 6 V 7.70 3.71 2.27 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 1.02 0.00 0.00 0.96 0.00 0.00 7 G 8.41 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 8 N 7.87 4.92 0.00 2.83 2.85 0.00 0.00 6.92 7.97 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 9 V 8.84 4.48 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 0.73 0.00 0.00 1.12 0.00 0.00 10 V 7.81 3.57 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 1.04 0.00 0.00 0.99 0.00 0.00 11 L 7.94 3.91 0.00 1.59 1.66 0.91 0.65 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 12 L 7.66 3.38 0.00 0.98 0.13 0.62 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.32 4.25 1.48 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 0.00 0.00 14 I 8.37 3.63 2.07 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 1.59 0.44 0.90 0.00 0.00 15 V 8.15 3.58 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 0.72 0.00 0.00 0.92 0.00 0.00 16 T 7.86 4.02 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 1.39 0.00 0.00 17 L 8.46 4.12 0.00 1.89 1.76 0.96 0.89 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 18 I 7.96 3.71 2.01 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 1.61 0.45 0.94 0.00 0.00 19 S 8.53 4.22 0.00 4.13 4.31 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 20 V 7.68 3.61 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 0.80 0.00 0.00 1.02 0.00 0.00 21 V 7.77 3.76 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 1.10 0.00 0.00 0.96 0.00 0.00 22 Q 8.50 4.22 0.00 2.49 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.46 0.00 0.00 0.00 0.00 0.00 2.24 1.81 0.00 23 N 8.40 3.76 0.00 2.66 2.68 0.00 0.00 6.97 7.64 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 24 G 8.03 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 25 F 8.38 4.55 0.00 3.16 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 26 F 8.85 3.98 0.00 3.01 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 27 A 7.78 4.23 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.24 4.54 0.00 3.45 3.77 0.00 5.80 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 29 K 8.65 3.96 0.00 1.95 1.91 0.00 1.63 0.00 0.00 1.94 0.00 0.00 3.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.50 7.81 30 V 7.58 4.19 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 1.23 0.00 0.00 1.16 0.00 0.00 31 E 8.51 4.09 0.00 2.19 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 0.00 2.41 2.50 0.00 32 H 8.17 4.19 0.00 3.14 3.29 0.00 5.69 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 33 E 7.59 3.87 0.00 1.87 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 2.56 2.74 0.00 34 S 7.04 3.23 0.00 3.68 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 35 R 7.28 3.91 0.00 2.12 1.79 0.00 3.37 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 36 T 7.40 3.87 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 1.14 0.00 0.00 37 Q 6.97 3.90 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.41 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 38 N 7.77 4.25 0.00 2.83 2.89 0.00 0.00 7.13 8.38 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 39 G 7.88 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 0.00 0.00 0.00 40 R 8.00 3.69 0.00 2.04 2.05 0.00 3.00 0.00 0.00 3.31 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 41 S 7.63 4.59 0.00 4.00 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 42 F 9.64 4.33 0.00 2.90 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 43 Q 8.55 4.79 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 44 R 8.53 3.72 0.00 1.92 2.05 0.00 3.03 0.00 0.00 3.30 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 45 T 8.27 4.47 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 1.17 0.00 0.00 46 G 8.58 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 47 T 7.76 3.81 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 1.44 0.00 0.00 48 L 8.74 3.94 0.00 1.72 1.68 0.92 1.09 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 49 A 8.16 4.52 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 50 F 8.08 4.51 0.00 3.01 3.24 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 51 E 8.78 3.69 0.00 2.14 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 2.12 2.37 0.00 52 R 9.35 3.69 0.00 2.07 1.84 0.00 3.08 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.50 0.00 53 V 7.79 3.62 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 1.24 0.00 0.00 1.03 0.00 0.00 54 Y 8.43 4.38 0.00 3.08 2.88 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 55 T 7.48 3.68 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 1.21 0.00 0.00 56 A 7.47 4.25 1.41 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 57 N 8.24 3.90 0.00 2.34 2.83 0.00 0.00 6.94 6.53 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 58 Q 8.15 4.01 0.00 1.21 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.56 0.00 0.00 0.00 0.00 0.00 2.04 2.32 0.00 59 N 7.76 4.89 0.00 3.19 3.17 0.00 0.00 6.99 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.00 3.86 0.00 2.91 2.90 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 61 V 7.76 3.58 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 0.97 0.00 0.00 0.92 0.00 0.00 62 D 7.57 4.40 0.00 2.48 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 63 A 7.62 4.19 1.11 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 0.00 0.00 64 Y 7.92 4.59 0.00 2.97 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 65 P 0.00 4.14 0.00 2.28 2.26 0.00 3.80 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 2.19 2.11 0.00 66 T 7.92 3.85 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 67 F 8.34 4.55 0.00 3.44 3.39 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 0.00 0.00 0.00 0.00 68 L 8.38 3.16 0.00 1.32 1.45 0.37 -0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.28 3.87 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.95 3.97 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 1.09 0.00 0.00 1.18 0.00 0.00 71 L 8.15 3.75 0.00 1.27 1.48 0.20 0.77 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 72 W 8.19 3.85 0.00 3.33 3.18 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 73 S 8.10 4.06 0.00 3.98 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 0.00 74 A 7.91 4.08 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 75 G 7.71 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.59 4.55 0.00 1.72 1.69 1.03 1.26 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 77 L 8.25 4.06 0.00 1.79 1.63 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 C 8.31 4.41 0.00 2.90 2.62 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 79 S 8.40 4.80 0.00 4.00 3.29 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 80 Q 9.70 4.48 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.78 0.00 0.00 0.00 0.00 0.00 2.05 2.26 0.00 81 V 7.75 3.72 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.93 0.00 0.00 82 P 0.00 4.23 0.00 2.25 2.29 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 83 A 7.97 3.74 1.15 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 84 A 8.69 3.76 1.24 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 85 F 8.28 4.08 0.00 3.20 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.60 4.32 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 87 G 8.42 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.61 3.73 0.00 1.55 1.26 -0.04 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 *90 Y 7.82 4.72 0.00 2.83 2.80 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 91 L 7.59 3.79 0.00 1.77 1.70 0.72 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 92 F 7.92 4.64 0.00 2.97 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 93 V 8.16 3.81 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 1.25 0.00 0.00 1.08 0.00 0.00 94 R 8.86 4.59 0.00 2.21 2.20 0.00 3.66 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.31 0.00 95 Q 8.32 4.28 0.00 2.65 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 96 K 8.62 4.04 0.00 2.11 1.92 0.00 1.79 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.53 7.81 97 Y 8.55 4.30 0.00 2.96 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 98 F 9.02 4.16 0.00 2.88 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 99 V 8.26 3.32 2.31 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 1.00 0.00 0.00 0.82 0.00 0.00 100 G 8.26 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 0.00 101 Y 7.44 4.90 0.00 2.95 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 0.00 102 L 7.86 4.39 0.00 1.51 1.44 0.72 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 103 G 7.93 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 0.00 104 E 6.89 3.47 0.00 2.21 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 0.00 2.23 2.42 0.00 105 R 8.66 4.42 0.00 1.82 1.97 0.00 3.21 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 106 T 8.01 3.78 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 1.22 0.00 0.00 107 Q 7.51 4.59 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 108 S 8.34 4.61 0.00 3.95 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.31 4.53 4.25 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 1.23 0.00 0.00 110 P 0.00 4.68 0.00 1.79 1.93 0.00 3.79 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.73 0.00 111 G 7.78 4.48 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 0.00 0.00 0.00 112 Y 10.23 3.30 0.00 3.12 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 9.17 3.52 1.92 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 1.43 0.41 0.92 0.00 0.00 114 F 8.18 4.71 0.00 2.74 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 0.00 115 G 7.46 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.23 3.74 0.00 1.90 2.06 0.00 1.53 0.00 0.00 1.83 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.43 7.81 117 R 8.09 3.84 0.00 2.07 2.27 0.00 2.99 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 118 I 7.77 3.83 1.91 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 1.68 0.84 0.63 0.00 0.00 119 I 7.51 3.90 1.90 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 1.59 1.41 0.68 0.00 0.00 120 L 8.49 3.94 0.00 1.81 1.89 0.97 0.59 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 0.00 121 F 8.81 4.43 0.00 2.88 3.39 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 0.00 0.00 0.00 0.00 122 L 7.69 3.65 0.00 1.85 1.69 0.51 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.49 4.23 0.00 3.16 3.20 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 0.00 124 L 8.18 4.44 0.00 2.22 1.82 1.31 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 *126 S 8.09 4.24 0.00 3.69 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 0.00 127 V 7.66 3.63 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 0.82 0.00 0.00 0.91 0.00 0.00 128 A 8.57 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.22 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 0.00 0.00 0.00 0.00 130 I 7.59 3.46 1.93 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.92 0.79 0.00 0.00 131 F 8.45 4.30 0.00 3.06 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 0.00 132 N 8.19 3.32 0.00 2.73 2.97 0.00 0.00 6.76 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 0.00 133 Y 8.45 3.92 0.00 2.90 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 0.00 134 Y 7.94 4.20 0.00 2.94 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 0.00 135 L 7.06 3.34 0.00 1.51 1.37 0.79 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.15 3.07 1.73 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.89 0.00 0.00 137 F 7.48 4.48 0.00 2.19 2.62 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 0.00 138 F 7.25 4.54 0.00 2.26 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 F 8.65 5.03 0.00 2.90 2.91 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 0.00 140 G 7.79 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 * Residues marked with a * may have inaccurate shift predictions.