NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.0017 8.0249 120.7766 60.6243 39.1478 174.7578 3 L 4.1291 8.1188 127.6170 53.1896 42.6814 174.5737 4 K 4.3714 8.1391 122.7975 54.2396 34.2381 174.1788 5 P 4.5100 0.0000 0.0000 62.3986 31.7883 175.9517 6 I 3.9046 8.1247 116.8937 61.5587 39.2300 175.2513 7 G 3.6259 7.0232 108.8520 45.6786 0.0000 172.2635 8 V 5.0090 7.7648 118.1480 59.8497 35.1308 174.8416 9 V 4.6367 8.7647 122.8363 61.4440 33.7944 174.3763 10 K 5.0132 8.9280 128.8829 54.6973 34.3799 174.8904 11 S 4.6683 9.5570 121.6149 56.0965 66.2894 172.1861 12 P 4.3339 0.0000 0.0000 62.9721 31.1895 176.4221 13 F 5.1306 6.9852 119.4337 56.2725 38.4963 176.8122 14 K 3.9723 9.3551 126.4205 58.8751 32.3572 177.4475 15 T 4.7897 8.0129 106.5107 59.4831 71.7800 174.3143 16 Q 4.2113 8.5893 119.0929 57.9014 28.6649 177.3815 17 N 4.6077 8.0010 115.3383 54.4849 38.9734 175.5152 18 D 4.9018 8.0713 116.0649 52.5587 39.8766 175.0141 19 A 4.1119 7.6835 121.8533 49.6876 21.0454 175.6086 20 P 4.2798 0.0000 0.0000 62.3034 32.1604 176.8051 21 R 3.9346 8.6214 120.8822 58.7591 30.4021 176.8688 22 Q 4.6198 7.8567 116.6709 53.7457 31.4938 175.9304 23 G 4.1742 9.6713 113.5598 47.7787 0.0000 175.1187 24 R 3.3493 8.0162 117.8647 58.9378 29.9814 177.4810 25 F 4.3114 8.1212 114.1529 58.0918 39.3314 175.3337 26 S 4.8779 7.9331 115.4565 56.9553 63.8819 173.2944 27 D 4.9211 8.5396 122.6357 53.8139 41.5394 176.8070 28 A 4.1248 8.2102 123.6480 52.2493 18.9328 177.1726 29 V 4.3588 8.1198 121.9824 61.9159 32.8365 175.2618 30 S 4.8796 8.9307 122.9173 56.5948 66.9751 172.3971 31 E 5.0793 9.1317 122.4520 54.4851 32.8394 174.6702 32 I 4.7643 9.0462 126.9125 59.6061 40.0751 174.3409 33 A 4.9439 8.5604 130.2782 50.3275 20.6506 175.4255 34 I 4.4388 8.6875 124.3597 60.0512 38.8294 176.5047 35 F 4.5918 8.5427 125.8638 57.4159 39.7040 175.7663 36 D 4.4050 9.2106 124.6686 57.9217 40.6876 178.4679 37 E 3.8804 8.2069 117.7575 58.7898 29.5684 177.3188 38 Y 4.7356 8.2490 114.1007 57.3319 38.6477 176.8803 39 A 4.1108 8.3145 124.6111 55.8006 18.3764 179.7468 40 D 4.4463 8.2981 116.3837 57.1109 40.6561 178.7219 41 G 3.8176 8.4043 105.5567 46.5241 0.0000 174.6701 42 L 4.6162 7.9493 120.3774 53.5793 41.7656 175.3006 43 H 4.2351 7.4076 119.4243 58.0630 29.9682 174.8565 44 K 4.0895 8.7679 124.3610 56.8149 30.0670 178.2343 45 I 3.8418 8.0809 121.8487 63.3244 37.9705 177.4753 46 E 4.1429 8.0816 116.6835 58.3007 29.5962 176.9328 47 N 4.7011 7.9889 116.3987 53.3424 38.8594 174.6259 48 L 4.8680 7.6339 118.3337 53.0791 44.7366 176.2570 49 R 4.4041 8.4200 118.9400 57.0960 32.6264 175.9022 50 H 5.5297 8.0478 114.8871 53.9536 32.9765 172.7668 51 I 5.1212 8.5514 113.9735 59.8009 41.8715 173.4201 52 I 5.0141 9.2090 123.5690 59.6602 39.7120 175.0044 53 V 4.8534 9.2060 126.3600 61.0733 34.5171 173.9750 54 L 5.4096 9.2106 128.1959 53.2098 44.1935 175.1609 55 Y 5.3158 8.7724 121.2743 55.1800 41.8554 174.1642 56 W 5.2140 8.9620 131.3392 56.9701 32.4599 175.9163 *58 D 4.5436 8.7981 114.8814 52.8618 40.7360 176.3431 59 K 4.3912 8.0015 116.8710 55.9347 32.4981 175.7900 60 A 4.3546 7.3934 121.8202 50.8743 20.0541 177.6513 61 S 4.2206 8.3403 115.1300 58.4428 63.2491 174.8328 62 R 5.2295 8.8324 124.4201 55.4372 30.3700 176.4712 63 D 4.8941 7.7035 117.3837 52.8193 39.7270 175.6942 64 K 4.5435 8.0911 118.4376 55.6247 34.6033 175.9303 65 L 4.4242 8.3531 121.8711 54.7802 43.8139 176.1752 66 R 5.2506 7.7047 116.2287 54.5537 34.1529 174.6467 67 V 4.3891 8.5547 119.4258 60.8574 35.4777 173.1678 68 V 4.4586 8.0817 121.2307 60.3514 32.7308 173.5380 69 P 4.3737 0.0000 0.0000 61.8546 31.7686 175.3520 70 P 4.1768 0.0000 0.0000 66.1269 31.7093 178.3575 71 G 3.9653 7.5995 106.4320 44.4512 0.0000 172.7347 72 E 4.6567 7.7520 117.4718 55.0078 33.4190 173.9200 73 T 4.3066 8.4325 117.6707 63.3827 68.8553 174.7991 74 E 4.5327 7.8549 119.0952 55.5724 30.6440 176.2749 75 E 4.7666 8.6025 120.7406 55.7579 31.4796 175.2999 76 R 4.7194 8.8730 117.3795 54.0531 33.8857 174.7289 77 G 3.8397 8.5188 108.1496 45.4407 0.0000 175.3786 78 V 3.5249 8.0092 115.3651 63.8708 31.6312 178.0620 79 F 4.9182 7.6345 116.2211 58.5121 38.8177 175.6235 80 T 4.6105 8.0133 110.2021 61.2827 69.0391 173.4387 81 T 4.7341 7.5714 111.4061 60.7713 71.5377 173.9617 82 R 4.6014 8.3758 119.4972 56.0799 31.2350 176.0931 83 S 4.2362 7.8201 114.4910 58.3556 63.4547 173.1228 84 P 4.2496 0.0000 0.0000 65.6249 31.3049 177.6607 85 S 4.6866 8.1631 113.9447 58.2227 63.1361 173.5511 86 R 4.3317 8.0663 119.6807 54.8472 31.3416 173.5001 87 P 4.4187 0.0000 0.0000 64.4375 31.2374 176.5650 88 N 5.0270 7.8047 115.7716 50.5407 39.7729 173.2281 89 P 4.2680 0.0000 0.0000 62.2117 29.2949 177.0225 90 I 4.3936 7.2223 118.6395 60.0189 38.7040 177.5627 91 G 3.0786 8.6132 116.0534 45.2786 0.0000 171.7849 92 L 5.2579 8.4151 126.4626 53.4119 44.2672 175.2140 93 C 4.9723 9.1496 123.7189 58.0233 32.3584 173.3250 94 V 4.5154 8.6417 123.8682 62.3956 32.2155 175.3126 95 V 4.9130 9.0554 120.5402 59.5903 36.4820 173.8238 96 E 4.6247 7.7245 122.8553 54.2991 31.3583 174.8907 97 I 4.0034 8.4534 129.1882 61.4253 36.9668 175.7277 98 L 4.3263 8.8198 128.2891 56.4156 42.8899 176.9694 99 E 4.6761 7.6941 117.3055 54.8348 33.4035 174.5462 100 V 4.7300 8.1774 124.2602 61.0646 35.2071 173.6107 101 E 3.9654 9.4081 131.6853 57.3154 26.7553 175.9144 102 R 4.3791 8.6686 112.4589 56.3626 33.2376 174.1821 103 N 5.0679 7.8981 110.8152 52.8067 40.9264 173.3212 104 R 5.1537 7.8866 118.1190 54.3134 33.9412 174.4916 105 L 5.1344 8.9304 122.6084 52.8916 45.5697 175.4562 106 K 4.8658 8.9941 123.5183 55.1148 34.1009 176.1261 107 V 5.3081 9.0846 117.8324 58.4696 36.7589 174.2159 108 R 4.8047 7.7267 116.0372 55.4048 33.0403 176.2738 109 W 4.1621 9.2364 118.1767 56.6678 26.5712 173.8489 110 L 4.6660 7.7260 120.4336 54.3965 42.3527 175.8102 111 D 5.0179 8.5855 124.1670 52.9162 39.9854 175.5265 112 A 4.1298 7.9093 121.9982 52.0303 19.7689 178.4562 113 L 4.4469 8.3005 121.4362 54.2903 42.4873 176.3523 114 D 4.4415 8.8256 121.7161 56.0168 41.4122 176.9916 115 G 3.9957 9.2939 114.6716 45.3954 0.0000 173.6714 116 S 4.4924 7.7372 115.9590 57.7438 64.2174 172.1339 117 P 4.9308 0.0000 0.0000 62.6692 32.8642 175.3574 118 V 4.4657 8.8330 124.1508 62.2356 32.7364 176.0169 119 I 4.1966 8.9059 127.9736 62.8816 39.0600 175.1562 120 D 4.6534 7.6753 118.4290 53.6096 44.7453 174.1039 121 I 5.2298 8.1289 121.7699 59.8175 41.0944 174.7679 122 K 4.9047 9.1051 125.2203 54.0055 36.6061 175.7998 123 K 4.4929 8.5938 121.4113 57.0904 33.5468 175.8421 124 Y 4.4011 8.2985 124.6670 57.3329 39.9266 175.0547 125 S 4.1513 8.9540 120.4466 55.8364 64.5808 172.2590 126 P 4.0769 0.0000 0.0000 65.5928 31.1661 178.8071 127 E 4.0188 8.1705 113.9488 58.2818 29.4586 177.4653 128 I 4.2732 7.4739 110.8269 61.3705 39.4585 176.0701 129 D 4.5493 8.1558 119.4060 54.8670 41.1995 175.7959 130 C 4.8006 7.6073 118.7172 57.1779 34.0764 172.9208 131 V 4.0384 8.2460 126.0253 61.3874 31.9817 175.2452 132 N 4.6283 8.5942 126.5824 52.6615 37.7365 174.5825 133 Q 4.2380 8.2904 122.7693 55.7496 29.4578 175.8321 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 I 8.02 4.00 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.26 0.88 0.00 0.00 3 L 8.12 4.13 0.00 1.40 1.35 0.19 0.50 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 4 K 8.14 4.37 0.00 1.66 1.78 0.00 1.80 0.00 0.00 1.92 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.40 7.81 5 P 0.00 4.51 0.00 2.45 2.16 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 6 I 8.12 3.90 1.46 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.27 0.00 0.00 7 G 7.02 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.76 5.01 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 0.71 0.00 0.00 1.02 0.00 0.00 9 V 8.76 4.64 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.83 0.00 0.00 10 K 8.93 5.01 0.00 1.77 1.55 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 1.29 7.81 11 S 9.56 4.67 0.00 3.15 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.33 0.00 2.06 2.00 0.00 2.81 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.64 0.00 13 F 6.99 5.13 0.00 3.13 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 14 K 9.36 3.97 0.00 1.78 1.90 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.25 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.54 7.81 15 T 8.01 4.79 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 1.24 0.00 0.00 16 Q 8.59 4.21 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.10 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 17 N 8.00 4.61 0.00 2.75 2.87 0.00 0.00 6.72 8.08 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 18 D 8.07 4.90 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.68 4.11 1.14 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 20 P 0.00 4.28 0.00 2.11 1.92 0.00 2.20 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 21 R 8.62 3.93 0.00 1.73 1.98 0.00 3.09 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 22 Q 7.86 4.62 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 23 G 9.67 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 0.00 0.00 0.00 0.00 24 R 8.02 3.35 0.00 1.26 1.19 0.00 2.79 0.00 0.00 2.91 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.25 0.00 25 F 8.12 4.31 0.00 3.17 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 26 S 7.93 4.88 0.00 3.90 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 27 D 8.54 4.92 0.00 2.76 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 28 A 8.21 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 29 V 8.12 4.36 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 0.80 0.00 0.00 0.89 0.00 0.00 30 S 8.93 4.88 0.00 3.72 3.61 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 31 E 9.13 5.08 0.00 1.89 1.67 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 2.13 2.31 0.00 32 I 9.05 4.76 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.63 0.85 0.00 0.00 33 A 8.56 4.94 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 34 I 8.69 4.44 1.95 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.87 1.01 0.00 0.00 35 F 8.54 4.59 0.00 3.37 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 36 D 9.21 4.40 0.00 2.82 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 37 E 8.21 3.88 0.00 1.74 1.59 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 1.47 1.96 0.00 38 Y 8.25 4.74 0.00 3.03 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 39 A 8.31 4.11 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 40 D 8.30 4.45 0.00 2.77 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 41 G 8.40 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 0.00 0.00 0.00 42 L 7.95 4.62 0.00 1.84 1.71 0.93 1.08 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 43 H 7.41 4.24 0.00 3.18 3.26 0.00 5.82 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.77 4.09 0.00 2.08 1.92 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.23 0.89 7.81 45 I 8.08 3.84 1.99 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 1.35 1.36 0.91 0.00 0.00 46 E 8.08 4.14 0.00 2.10 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 2.27 2.27 0.00 47 N 7.99 4.70 0.00 2.84 2.88 0.00 0.00 6.77 7.98 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 48 L 7.63 4.87 0.00 1.76 1.56 0.95 0.93 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 49 R 8.42 4.40 0.00 1.60 1.68 0.00 3.13 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 50 H 8.05 5.53 0.00 3.13 2.98 0.00 5.58 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.55 5.12 2.04 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 1.24 1.16 0.95 0.00 0.00 52 I 9.21 5.01 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.88 1.01 0.00 0.00 53 V 9.21 4.85 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 1.10 0.00 0.00 0.99 0.00 0.00 54 L 9.21 5.41 0.00 1.70 1.59 0.95 0.53 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 55 Y 8.77 5.32 0.00 3.30 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 56 W 8.96 5.21 0.00 3.34 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 *58 D 8.80 4.54 0.00 3.04 3.15 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 59 K 8.00 4.39 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.44 7.81 60 A 7.39 4.35 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.34 4.22 0.00 3.83 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.83 5.23 0.00 1.91 2.04 0.00 3.52 0.00 0.00 3.44 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 63 D 7.70 4.89 0.00 2.70 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 64 K 8.09 4.54 0.00 1.66 1.67 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.28 1.37 7.81 65 L 8.35 4.42 0.00 1.53 1.55 0.84 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.70 5.25 0.00 1.57 1.72 0.00 3.28 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 67 V 8.55 4.39 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 0.57 0.00 0.00 0.89 0.00 0.00 68 V 8.08 4.46 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 0.89 0.00 0.00 0.90 0.00 0.00 69 P 0.00 4.37 0.00 2.29 1.93 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.09 0.00 70 P 0.00 4.18 0.00 1.97 2.07 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 71 G 7.60 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 72 E 7.75 4.66 0.00 1.83 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.23 0.00 73 T 8.43 4.31 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 1.20 0.00 0.00 74 E 7.85 4.53 0.00 1.88 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 2.28 2.29 0.00 75 E 8.60 4.77 0.00 2.03 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 2.21 2.27 0.00 76 R 8.87 4.72 0.00 1.81 2.00 0.00 2.77 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 77 G 8.52 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.01 3.52 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 0.75 0.00 0.00 0.27 0.00 0.00 79 F 7.63 4.92 0.00 3.07 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 80 T 8.01 4.61 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 81 T 7.57 4.73 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 82 R 8.38 4.60 0.00 1.78 1.94 0.00 3.41 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 83 S 7.82 4.24 0.00 3.82 3.77 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 84 P 0.00 4.25 0.00 1.98 2.05 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 85 S 8.16 4.69 0.00 3.79 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 86 R 8.07 4.33 0.00 1.98 1.94 0.00 2.95 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 87 P 0.00 4.42 0.00 2.21 2.28 0.00 3.86 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.15 0.00 88 N 7.80 5.03 0.00 2.78 3.04 0.00 0.00 6.92 8.02 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 89 P 0.00 4.27 0.00 0.97 1.60 0.00 2.89 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.02 0.00 90 I 7.22 4.39 1.92 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.88 0.99 0.00 0.00 91 G 8.61 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 0.00 0.00 0.00 92 L 8.42 5.26 0.00 1.61 1.56 0.97 0.92 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 93 C 9.15 4.97 0.00 3.05 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 94 V 8.64 4.52 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 0.51 0.00 0.00 1.06 0.00 0.00 95 V 9.06 4.91 2.16 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 0.92 0.00 0.00 0.97 0.00 0.00 96 E 7.72 4.62 0.00 1.16 1.12 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 1.79 1.93 0.00 97 I 8.45 4.00 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.56 0.84 0.00 0.00 98 L 8.82 4.33 0.00 1.51 1.62 0.82 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.69 4.68 0.00 1.95 1.67 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 2.25 2.27 0.00 100 V 8.18 4.73 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.90 0.00 0.00 101 E 9.41 3.97 0.00 1.92 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 2.28 2.27 0.00 102 R 8.67 4.38 0.00 1.78 1.79 0.00 3.25 0.00 0.00 3.23 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 103 N 7.90 5.07 0.00 2.67 2.97 0.00 0.00 6.66 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 0.00 104 R 7.89 5.15 0.00 1.70 1.86 0.00 3.24 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 105 L 8.93 5.13 0.00 1.48 1.47 0.90 0.73 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 0.00 106 K 8.99 4.87 0.00 1.62 1.66 0.00 1.56 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.35 7.81 107 V 9.08 5.31 2.01 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 0.91 0.00 0.00 0.93 0.00 0.00 108 R 7.73 4.80 0.00 1.73 1.80 0.00 2.76 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 109 W 9.24 4.16 0.00 3.63 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.73 4.67 0.00 1.63 1.61 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.59 5.02 0.00 2.85 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 0.00 112 A 7.91 4.13 0.22 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 0.00 0.00 0.00 113 L 8.30 4.45 0.00 1.79 1.67 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.83 4.44 0.00 2.76 2.59 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 0.00 115 G 9.29 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 0.00 116 S 7.74 4.49 0.00 3.80 4.14 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 0.00 117 P 0.00 4.93 0.00 2.27 2.09 0.00 4.11 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 118 V 8.83 4.47 2.01 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 0.95 0.00 0.00 0.92 0.00 0.00 119 I 8.91 4.20 2.08 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.14 0.89 0.00 0.00 120 D 7.68 4.65 0.00 2.75 2.47 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 0.00 121 I 8.13 5.23 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.72 0.99 0.00 0.00 122 K 9.11 4.90 0.00 1.70 1.67 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.44 7.81 123 K 8.59 4.49 0.00 1.80 1.83 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.44 7.81 124 Y 8.30 4.40 0.00 3.02 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 0.00 125 S 8.95 4.15 0.00 3.66 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 0.00 126 P 0.00 4.08 0.00 2.19 2.15 0.00 3.55 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 127 E 8.17 4.02 0.00 2.04 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 2.21 2.25 0.00 128 I 7.47 4.27 1.82 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 1.42 0.61 0.86 0.00 0.00 129 D 8.16 4.55 0.00 2.41 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 0.00 130 C 7.61 4.80 0.00 2.95 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 0.00 131 V 8.25 4.04 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 0.84 0.00 0.00 0.93 0.00 0.00 132 N 8.59 4.63 0.00 2.70 2.75 0.00 0.00 7.00 7.08 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 0.00 133 Q 8.29 4.24 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.42 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.