NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.5353 8.1927 115.5789 58.3045 64.8958 173.0804 6 L 4.4638 7.8842 122.2581 55.0383 43.0623 173.5384 7 Y 5.1776 9.7026 123.4877 56.3351 43.4063 173.8170 8 R 5.1688 8.8299 120.3093 54.7651 34.0538 173.4330 9 L 5.2677 9.1295 127.5364 53.3018 45.4955 174.8441 10 I 5.1148 9.1483 126.8520 59.7027 40.2895 174.2228 11 Y 5.4970 8.6587 123.9715 55.4746 42.1333 173.9737 12 S 5.3352 9.2917 114.3275 57.1698 66.4737 172.8440 13 S 5.0132 8.9415 115.4534 57.8588 68.3873 172.9493 14 Q 4.8205 8.9599 120.8928 54.2758 30.1257 176.0168 15 G 4.4360 9.0415 112.9273 45.4950 0.0000 173.5289 16 I 4.0565 8.4991 116.3708 60.1445 38.0266 175.5730 17 P 4.3617 0.0000 0.0000 65.2484 31.2750 176.7771 18 N 4.9595 7.5051 113.6735 52.7184 38.8670 174.7112 19 L 4.2474 7.9742 119.0132 54.8954 42.2688 177.0901 20 Q 4.5617 9.2475 123.1327 53.7857 30.8637 175.0833 21 P 4.3031 0.0000 0.0000 65.8081 31.1678 179.1015 22 Q 4.0621 8.0383 116.5635 58.7567 28.5158 178.2329 23 D 4.3937 7.9608 122.4568 57.8264 40.8658 179.3392 24 L 4.0405 7.8944 124.9110 59.8614 41.0015 181.8604 25 K 4.1734 7.8847 124.0722 59.7235 31.6622 181.0097 26 D 4.5136 8.1745 120.1803 57.3184 40.7904 178.8819 27 I 3.6009 7.8718 120.4032 64.3767 37.0966 178.2239 28 L 4.0496 8.0026 124.7475 58.2100 41.7637 179.4507 29 E 3.9825 8.2071 118.2085 61.2173 29.5645 181.2428 30 S 4.3224 7.9911 116.4228 61.4819 62.9692 177.0308 31 S 4.1465 8.0323 116.9968 61.5767 62.5207 176.4901 32 Q 4.2170 8.0739 121.9393 57.5232 28.4418 178.0729 33 R 4.1400 7.4142 119.4321 58.9431 30.1343 177.6645 34 N 4.5562 8.4689 116.4331 56.0235 38.8188 177.2159 35 N 4.2109 8.3442 118.0009 55.7830 38.5480 175.5489 36 P 4.2298 0.0000 0.0000 65.6737 31.3163 178.4746 37 A 3.9561 8.0476 118.4347 54.9143 18.4144 177.6792 38 N 4.6961 7.7541 110.7686 52.4444 38.6731 175.1670 39 G 4.0033 7.9369 106.1246 46.5295 0.0000 173.7854 40 I 4.5615 8.1141 120.9119 59.7638 38.5197 175.5495 41 T 5.2518 9.1836 113.7156 57.9602 71.5934 174.0194 42 G 3.8601 7.1067 106.1055 46.0370 0.0000 170.7293 43 L 4.8800 7.3894 121.2629 53.7043 45.9727 175.3360 44 L 5.1302 9.1559 127.7678 53.4370 45.0821 174.6397 45 C 5.3812 9.5481 123.4491 58.0890 31.8401 172.3085 46 Y 4.8514 9.0144 124.2568 56.0578 40.9839 174.4031 47 S 5.0752 8.2767 123.2190 55.0315 64.2301 173.1013 48 K 3.2270 7.7879 125.9144 56.4497 32.1068 174.8389 49 P 4.6212 0.0000 0.0000 62.5330 32.7213 174.6898 50 A 4.8663 8.0968 123.1907 51.0888 21.3212 176.5955 51 F 5.3858 9.0508 118.8092 55.9460 42.1712 174.9048 52 L 5.0237 9.1059 123.4191 53.5393 45.4025 174.9130 53 Q 4.9714 8.4979 126.6696 54.1733 33.1913 173.6846 54 V 4.8967 8.4558 124.6254 59.8339 34.3653 174.4032 55 L 5.2719 8.9428 123.0261 53.0622 45.4762 175.3391 56 E 5.1525 10.5492 122.4605 53.8460 33.8286 176.4043 57 G 4.1498 7.8908 109.9406 44.5259 0.0000 171.4878 58 E 4.5598 7.9470 117.6093 56.0398 31.5561 176.8756 59 C 3.5418 8.8104 122.1851 62.9267 31.5005 175.9742 60 E 3.8840 8.0416 119.9608 59.2757 29.1179 178.7437 61 Q 3.9440 7.9043 117.5615 58.9485 28.9128 178.3067 62 V 3.6335 8.0880 119.6476 66.3313 31.5124 177.8493 63 N 4.4094 8.2872 116.0279 56.1345 38.4293 177.0357 64 E 3.9388 8.2510 120.7142 59.6195 29.7857 179.0585 65 T 3.8301 8.1739 115.9149 66.7367 68.5382 175.9947 66 Y 3.8881 8.2288 121.5910 61.2115 38.6417 178.0594 67 H 4.0080 8.0404 115.2610 58.2491 28.8015 177.6237 68 R 3.9606 7.8500 120.9359 59.3510 29.5985 178.4115 69 I 3.6413 7.5912 119.6086 64.5587 36.8421 178.8377 70 V 3.3326 7.1156 112.2253 63.4455 32.4528 177.7436 71 Q 4.2974 7.2594 117.2153 54.7858 26.2643 175.2593 72 D 4.8445 7.5832 122.1613 53.7292 44.2540 176.5348 *73 E 4.0967 8.7258 120.7238 57.3027 30.3552 175.3930 74 R 4.4496 8.7176 116.9895 57.7208 30.4818 175.4079 75 H 5.3235 7.6654 112.4577 55.1087 31.5690 171.7984 76 H 4.7074 9.0846 115.3555 54.9212 32.0289 172.7343 77 S 3.8001 8.7537 112.5465 59.0468 59.8826 171.4601 78 P 4.6391 0.0000 0.0000 62.4103 32.3106 176.4861 79 Q 4.5688 9.4184 120.7196 53.9522 31.6020 174.3824 80 I 4.1445 8.4780 125.4221 61.1662 38.1267 175.4032 81 I 4.2638 9.0421 130.6812 63.2500 38.5706 176.0151 82 E 4.7329 7.7260 120.2897 55.2379 33.1037 173.8039 83 C 5.3178 8.5350 126.3112 58.2579 34.4894 172.5596 84 M 4.5635 8.6630 122.2760 53.2858 34.4638 172.5728 85 P 4.2246 0.0000 0.0000 62.5019 32.1801 175.6851 86 I 4.5931 8.1262 115.1323 59.2302 40.1773 175.9143 87 R 4.0856 8.7450 122.6909 59.1100 30.3145 176.9414 88 R 4.5443 7.2240 110.4831 55.0255 31.7557 174.5504 89 R 4.4317 8.3166 117.8485 56.3785 30.7145 176.3859 90 N 4.7256 9.7627 115.8504 52.9656 41.0025 175.6252 91 F 4.6568 8.5513 117.3481 56.7453 39.7094 177.1836 92 E 4.0913 8.1953 120.8943 59.0757 29.3905 178.3652 93 V 3.7021 7.3576 111.6886 62.4564 32.3010 175.8622 94 W 5.0800 7.7718 120.3297 54.4212 31.7907 175.9593 95 S 4.3775 9.0023 118.5852 61.0027 63.1589 173.9421 96 M 5.0866 7.8542 118.6996 54.8828 34.9832 174.2869 97 Q 4.5660 8.4485 124.3004 53.6138 32.9671 173.7162 98 A 5.1220 8.3506 122.5421 50.0262 21.5492 175.5016 99 I 4.4095 8.6225 123.6957 59.5569 40.6172 174.7415 100 T 4.8604 8.5106 117.0624 60.4029 70.6398 174.1284 101 V 4.4688 8.7282 126.3932 61.3836 34.2937 173.7193 102 N 5.0665 8.7420 126.7675 52.1526 39.4680 174.1617 103 D 4.4407 8.8592 118.5034 57.2057 41.4494 178.1429 104 L 4.4499 7.6421 116.7334 54.7899 41.5927 182.1134 105 S 4.5146 7.5903 113.4792 59.1105 63.5789 174.7223 106 T 4.0651 8.2358 117.9127 63.5930 70.0324 175.1963 107 E 3.9278 8.7679 123.9955 59.4146 29.7341 178.8933 108 Q 3.9614 8.1435 119.1352 59.4007 29.0174 178.6574 109 V 3.7125 7.7922 118.4116 65.9474 31.6951 177.7633 110 K 3.9846 8.4391 118.5744 60.0757 31.9656 179.4211 111 T 3.9402 8.3943 116.1966 66.3429 68.0396 176.5716 112 L 4.0474 7.6869 121.5167 58.2027 42.4132 178.6620 113 V 3.7753 8.2372 118.4231 66.2189 31.0534 177.8007 114 L 4.1291 8.1262 119.8168 57.8193 41.6528 178.7193 115 K 3.8203 7.9215 119.1098 58.5613 32.0978 176.7103 116 Y 4.7240 7.4547 113.7253 57.5607 38.7463 174.6480 117 S 4.5801 7.5997 113.5399 57.2489 65.9872 174.3341 118 G 3.4848 8.5317 108.1503 47.4661 0.0000 173.1663 119 F 4.9178 7.4905 116.4244 56.0850 43.1362 174.6362 120 T 4.1117 8.6965 118.0739 65.8402 68.5520 175.2130 121 T 4.3073 7.6961 111.7719 59.6893 70.0844 174.1280 122 L 3.8023 8.3470 127.8399 55.0060 42.4484 176.4742 123 R 4.4236 8.1537 124.7166 53.5256 31.8394 174.0041 124 P 4.2536 0.0000 0.0000 65.3988 31.6280 179.3564 125 S 4.0639 8.1400 112.8188 60.8877 62.7551 174.7556 126 A 4.4716 7.8315 121.0702 52.3005 19.2713 176.6364 127 M 4.8539 7.9213 116.1979 53.3039 34.4172 176.1836 128 D 4.7705 8.5720 122.6607 51.8230 42.4926 175.8843 129 P 4.2178 0.0000 0.0000 65.8211 31.1955 178.6127 130 E 3.9557 8.2145 117.5895 59.2822 29.6412 178.7086 131 Q 4.0052 8.8375 118.5498 59.0266 28.8003 178.3819 132 C 4.0908 8.2206 117.8053 62.7915 28.1737 175.8175 133 L 4.0168 7.9665 121.6366 58.5310 41.6326 178.9019 134 N 4.2380 8.1292 116.2547 55.9298 38.3148 177.1432 135 F 3.8514 7.5970 122.0938 61.3316 39.5658 177.2317 136 L 3.8985 8.0705 118.4290 57.7424 41.2820 179.5730 137 L 3.9498 8.2618 119.1481 57.8177 41.4541 179.3772 138 D 4.3417 8.2273 118.9729 57.4163 40.6298 178.7059 139 I 3.7343 7.6069 118.0658 63.8310 38.0016 177.4549 140 A 4.5666 8.0850 121.7478 55.2075 18.0156 179.7655 141 K 4.0246 7.8331 116.3414 59.3560 32.2426 179.0353 142 I 4.0184 7.6744 110.9625 62.3473 37.9193 175.5675 143 Y 4.2224 7.7122 123.5418 58.1849 38.0488 175.2868 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 S 8.19 4.54 0.00 3.97 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 6 L 7.88 4.46 0.00 1.95 1.57 1.00 0.55 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 7 Y 9.70 5.18 0.00 2.98 2.82 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 8 R 8.83 5.17 0.00 1.88 1.70 0.00 3.14 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 9 L 9.13 5.27 0.00 1.73 1.48 0.40 0.92 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 10 I 9.15 5.11 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.85 0.91 0.00 0.00 11 Y 8.66 5.50 0.00 3.23 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 12 S 9.29 5.34 0.00 3.99 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 13 S 8.94 5.01 0.00 4.21 3.94 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 14 Q 8.96 4.82 0.00 1.58 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 15 G 9.04 4.44 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 0.00 16 I 8.50 4.06 1.93 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 1.57 0.86 1.06 0.00 0.00 17 P 0.00 4.36 0.00 2.09 2.20 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 18 N 7.51 4.96 0.00 2.72 2.82 0.00 0.00 7.02 7.73 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 19 L 7.97 4.25 0.00 1.63 1.46 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 9.25 4.56 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 21 P 0.00 4.30 0.00 2.15 2.10 0.00 3.60 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 2.19 0.00 22 Q 8.04 4.06 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 23 D 7.96 4.39 0.00 2.78 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.89 4.04 0.00 1.65 1.67 0.92 0.78 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 25 K 7.88 4.17 0.00 1.77 1.85 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.36 7.81 26 D 8.17 4.51 0.00 2.89 2.71 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 27 I 7.87 3.60 1.79 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 1.26 0.61 0.76 0.00 0.00 28 L 8.00 4.05 0.00 1.92 1.74 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.21 3.98 0.00 2.03 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 2.24 2.23 0.00 30 S 7.99 4.32 0.00 3.98 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 31 S 8.03 4.15 0.00 4.06 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 32 Q 8.07 4.22 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 33 R 7.41 4.14 0.00 1.94 2.06 0.00 3.24 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 34 N 8.47 4.56 0.00 2.74 2.83 0.00 0.00 7.05 6.50 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 35 N 8.34 4.21 0.00 2.95 3.15 0.00 0.00 7.04 7.85 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 36 P 0.00 4.23 0.00 2.17 2.13 0.00 3.72 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 2.21 2.19 0.00 37 A 8.05 3.96 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 38 N 7.75 4.70 0.00 2.58 2.86 0.00 0.00 6.98 7.53 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 39 G 7.94 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 40 I 8.11 4.56 1.91 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 1.56 1.48 0.96 0.00 0.00 41 T 9.18 5.25 4.68 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 1.31 0.00 0.00 42 G 7.11 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 43 L 7.39 4.88 0.00 1.78 1.10 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 44 L 9.16 5.13 0.00 1.70 1.60 0.98 0.78 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 45 C 9.55 5.38 0.00 2.93 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 46 Y 9.01 4.85 0.00 2.93 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 47 S 8.28 5.08 0.00 3.77 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 48 K 7.79 3.23 0.00 1.54 1.62 0.00 1.62 0.00 0.00 1.58 0.00 0.00 3.12 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.03 7.81 49 P 0.00 4.62 0.00 2.09 2.22 0.00 3.54 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 50 A 8.10 4.87 1.23 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 51 F 9.05 5.39 0.00 3.18 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 52 L 9.11 5.02 0.00 1.67 1.47 0.88 0.69 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 53 Q 8.50 4.97 0.00 1.81 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 54 V 8.46 4.90 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 -0.16 0.00 0.00 0.81 0.00 0.00 55 L 8.94 5.27 0.00 1.66 1.63 1.17 1.05 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 56 E 10.55 5.15 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 2.33 2.34 0.00 57 G 7.89 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 58 E 7.95 4.56 0.00 2.23 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 0.00 2.38 2.44 0.00 59 C 8.81 3.54 0.00 2.47 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 60 E 8.04 3.88 0.00 2.03 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 0.00 2.36 2.37 0.00 61 Q 7.90 3.94 0.00 2.38 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.64 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 62 V 8.09 3.63 2.11 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 1.19 0.00 0.00 1.07 0.00 0.00 63 N 8.29 4.41 0.00 2.95 2.91 0.00 0.00 6.69 7.20 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 64 E 8.25 3.94 0.00 2.16 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 2.31 2.50 0.00 65 T 8.17 3.83 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 1.24 0.00 0.00 66 Y 8.23 3.89 0.00 2.94 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 67 H 8.04 4.01 0.00 3.26 3.30 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.85 3.96 0.00 1.96 2.10 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 69 I 7.59 3.64 1.64 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 1.44 0.78 0.76 0.00 0.00 70 V 7.12 3.33 1.82 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 -0.14 0.00 0.00 0.84 0.00 0.00 71 Q 7.26 4.30 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 72 D 7.58 4.84 0.00 2.73 2.51 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 *73 E 8.73 4.10 0.00 2.03 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 2.22 1.90 0.00 74 R 8.72 4.45 0.00 1.91 2.00 0.00 3.08 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 1.63 1.55 0.00 75 H 7.67 5.32 0.00 3.60 3.38 0.00 5.55 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 9.08 4.71 0.00 3.31 3.47 0.00 5.61 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.75 3.80 0.00 4.03 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 78 P 0.00 4.64 0.00 2.22 1.92 0.00 3.31 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.83 0.00 79 Q 9.42 4.57 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.05 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 80 I 8.48 4.14 1.61 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 1.30 0.70 0.82 0.00 0.00 81 I 9.04 4.26 2.03 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 1.14 0.93 0.92 0.00 0.00 82 E 7.73 4.73 0.00 2.01 1.73 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 2.27 2.28 0.00 83 C 8.53 5.32 0.00 2.92 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 84 M 8.66 4.56 0.00 2.02 1.94 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 2.36 2.44 0.00 85 P 0.00 4.22 0.00 1.76 1.82 0.00 3.34 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.73 0.00 86 I 8.13 4.59 1.85 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 1.20 0.66 0.91 0.00 0.00 87 R 8.75 4.09 0.00 1.80 2.01 0.00 3.39 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 88 R 7.22 4.54 0.00 1.84 1.83 0.00 2.98 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 89 R 8.32 4.43 0.00 1.81 2.12 0.00 3.17 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 90 N 9.76 4.73 0.00 2.23 2.10 0.00 0.00 6.75 7.50 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 91 F 8.55 4.66 0.00 3.22 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 92 E 8.20 4.09 0.00 2.05 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 2.18 2.22 0.00 93 V 7.36 3.70 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 0.52 0.00 0.00 -0.14 0.00 0.00 94 W 7.77 5.08 0.00 3.53 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 95 S 9.00 4.38 0.00 3.95 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 96 M 7.85 5.09 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 97 Q 8.45 4.57 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.52 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 98 A 8.35 5.12 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 99 I 8.62 4.41 1.66 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.39 0.44 0.00 0.00 100 T 8.51 4.86 4.33 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 1.31 0.00 0.00 101 V 8.73 4.47 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 1.11 0.00 0.00 1.10 0.00 0.00 102 N 8.74 5.07 0.00 2.84 2.81 0.00 0.00 6.24 7.53 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 0.00 103 D 8.86 4.44 0.00 2.64 2.72 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 0.00 0.00 0.00 104 L 7.64 4.45 0.00 1.70 1.54 0.92 0.83 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 0.00 105 S 7.59 4.51 0.00 4.04 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 0.00 106 T 8.24 4.07 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 1.26 0.00 0.00 107 E 8.77 3.93 0.00 2.09 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 2.39 2.45 0.00 108 Q 8.14 3.96 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 109 V 7.79 3.71 2.30 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 1.27 0.00 0.00 1.09 0.00 0.00 110 K 8.44 3.98 0.00 2.02 1.90 0.00 1.94 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.51 1.76 7.81 111 T 8.39 3.94 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 1.22 0.00 0.00 112 L 7.69 4.05 0.00 2.07 2.12 0.88 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.24 3.78 2.37 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 0.91 0.00 0.00 1.11 0.00 0.00 114 L 8.13 4.13 0.00 1.97 1.84 0.87 0.32 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 0.00 115 K 7.92 3.82 0.00 1.85 1.62 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.32 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.85 1.25 7.81 116 Y 7.45 4.72 0.00 3.03 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 0.00 117 S 7.60 4.58 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 0.00 118 G 8.53 3.48 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 0.00 119 F 7.49 4.92 0.00 2.98 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 0.00 120 T 8.70 4.11 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 1.25 0.00 0.00 121 T 7.70 4.31 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 1.17 0.00 0.00 122 L 8.35 3.80 0.00 1.39 1.50 0.11 0.84 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 0.00 123 R 8.15 4.42 0.00 1.84 1.77 0.00 3.11 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.80 0.00 124 P 0.00 4.25 0.00 2.17 2.07 0.00 3.56 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 125 S 8.14 4.06 0.00 3.86 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 0.00 126 A 7.83 4.47 1.37 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 0.00 127 M 7.92 4.85 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.43 0.00 128 D 8.57 4.77 0.00 2.94 2.82 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 0.00 129 P 0.00 4.22 0.00 2.18 2.22 0.00 3.61 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 2.12 2.32 0.00 130 E 8.21 3.96 0.00 2.05 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 0.00 2.41 2.42 0.00 131 Q 8.84 4.01 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 132 C 8.22 4.09 0.00 3.13 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 0.00 133 L 7.97 4.02 0.00 1.86 1.82 1.08 0.61 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 0.00 134 N 8.13 4.24 0.00 2.36 2.64 0.00 0.00 6.71 7.73 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 0.00 135 F 7.60 3.85 0.00 2.84 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 0.00 136 L 8.07 3.90 0.00 2.07 1.85 0.85 0.49 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 0.00 137 L 8.26 3.95 0.00 1.80 1.62 0.87 0.65 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 0.00 138 D 8.23 4.34 0.00 2.90 2.79 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 0.00 139 I 7.61 3.73 1.17 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 1.44 0.88 0.74 0.00 0.00 140 A 8.09 4.57 1.73 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 0.00 141 K 7.83 4.02 0.00 1.94 1.91 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.54 7.81 142 I 7.67 4.02 1.82 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.71 0.93 0.00 0.00 143 Y 7.71 4.22 0.00 3.08 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 * Residues marked with a * may have inaccurate shift predictions.