NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4863 8.3193 115.4132 58.2140 64.4169 172.1412 -1 N 4.9371 8.4330 116.5110 50.5482 40.3595 172.7316 0 A 4.6851 8.9031 124.8072 51.4975 21.2851 176.7825 0 K 4.6851 8.9531 121.4072 55.1975 35.2851 175.5825 3 K 4.1307 8.4426 121.7829 55.7340 32.7634 177.0321 4 A 4.2677 8.4915 125.5634 52.8725 20.4949 176.6399 5 T 4.5222 7.8497 107.5315 61.0109 68.9365 175.7849 *7 L 3.9584 9.0390 121.7340 54.9714 43.8912 177.8897 8 T 3.8052 7.1580 109.3922 64.8929 68.5950 175.7872 9 Y 3.9695 8.6773 123.2664 60.2657 38.7635 177.9105 10 L 3.8902 7.8512 119.2634 57.7558 41.8193 178.5602 11 E 3.8604 8.1656 119.0384 59.6014 29.5139 178.4874 12 E 3.8169 8.4910 119.1230 59.6753 29.6336 178.8629 13 Q 3.9240 8.0628 118.0797 58.7724 28.6655 178.7937 14 L 4.0342 8.5439 120.3769 58.0998 41.4947 179.5404 15 E 4.0076 7.8216 116.6653 58.9395 29.4412 178.9650 16 K 4.0415 7.7695 119.2449 58.9242 32.3921 177.6877 17 H 4.9168 8.4811 113.9392 55.2730 30.7522 174.3331 18 L 5.0987 8.3107 121.7418 54.1992 42.6352 179.0318 19 G 3.6532 8.3653 109.2020 48.7167 0.0000 175.1643 20 D 4.4032 8.0986 117.7450 55.7721 40.9198 175.4820 21 Y 4.7380 7.5250 117.0801 55.9465 40.7513 174.7078 22 E 4.6544 8.6929 123.3510 55.3442 29.6900 174.1666 23 V 4.9698 8.3383 124.8509 60.7159 34.5308 174.3710 24 G 4.4435 9.3080 114.1158 44.3948 0.0000 171.2098 25 L 5.4834 8.5083 119.0320 52.7088 45.3191 175.7380 26 D 4.8419 9.4814 122.7168 52.3332 44.0278 174.4817 27 W 5.2890 9.0028 135.0000 56.4429 31.1667 175.2686 28 D 4.5091 9.2004 128.8609 53.1000 39.9005 176.5923 29 R 3.2545 7.9212 125.0888 58.6345 30.5824 178.7745 30 K 3.8095 7.9927 115.6629 59.4677 32.0816 177.1796 31 N 4.6287 8.7187 114.8268 53.1166 39.4244 173.9228 32 H 4.7732 7.7983 111.6393 56.7569 26.8212 174.7224 33 T 5.3688 8.4311 114.1928 62.2837 74.0156 174.8650 34 I 5.2261 9.3250 125.5076 59.7118 40.8535 173.8472 35 E 5.1188 9.6428 128.8892 54.3658 32.4244 174.6854 36 V 4.7924 9.0464 127.5477 61.7993 32.9427 174.8191 37 I 4.8310 8.9149 129.8296 60.7187 39.2846 175.3934 38 V 4.9592 8.4888 124.1105 61.7303 35.2473 173.7274 39 R 5.0663 8.7428 126.1461 54.5116 33.3644 174.6117 40 L 4.7783 9.0680 124.1909 53.3474 44.1789 175.2253 41 Y 5.4958 8.4278 118.6771 56.6894 41.5604 174.7065 42 A 4.3259 8.4221 121.3504 50.7366 23.3186 174.9643 43 E 3.8482 8.0984 121.7035 55.2105 30.6843 175.2839 44 N 4.3553 8.7262 127.1550 53.2205 39.0264 173.6209 45 N 4.6066 8.7931 123.7462 55.0794 39.8337 176.5964 46 E 4.0295 8.0200 115.9270 56.8573 29.8652 176.9324 47 Q 3.9229 8.1201 115.1611 56.5984 27.1074 174.2857 48 V 3.2707 7.0559 114.6444 63.5187 31.8942 175.0755 49 A 4.2862 8.5163 129.9705 51.6250 18.3947 176.5602 50 I 4.5644 7.9712 122.8058 59.9065 39.7882 175.6334 51 D 4.5182 8.3631 121.5827 55.3036 40.8361 173.8294 52 D 4.6326 8.0590 120.6830 53.6180 40.3371 178.6432 53 V 4.2450 7.2217 124.9381 63.0163 31.5503 177.1868 *61 E 4.4370 8.7410 111.7567 55.8233 32.1338 175.1986 62 F 4.9067 8.3872 123.2862 56.0618 40.8861 174.1419 63 I 4.2042 8.7154 119.4723 60.5099 39.1480 174.6230 64 E 5.2121 8.7425 123.6116 54.4607 32.7821 174.3054 65 F 4.7448 9.4806 128.7185 56.2848 42.2005 173.1821 66 E 5.1695 8.0190 126.2172 54.7096 32.5837 173.7828 67 D 4.6568 9.0983 124.1978 53.4949 45.8418 173.5551 68 G 4.6376 8.4883 105.5973 44.6577 0.0000 171.6095 69 L 5.1042 8.9526 122.4132 52.4402 44.8855 175.1614 70 L 4.9274 8.1669 125.7136 53.1388 44.7929 174.7298 71 F 5.6288 9.3536 125.0656 56.0701 41.3254 174.3706 72 Y 5.4261 9.0432 120.7274 55.4061 42.1506 173.6338 73 N 3.9245 8.8264 120.6459 51.6989 39.3850 174.3114 74 P 4.5624 0.0000 0.0000 65.0885 31.7205 177.6391 75 Q 4.1701 8.3635 116.5897 57.0083 28.7339 175.5029 76 K 4.3696 7.3399 113.4528 57.5168 34.9484 176.3475 77 S 4.7693 8.7127 115.6285 58.3711 63.4773 174.5123 78 V 4.2911 8.9078 124.4099 60.1084 32.6597 175.7973 79 V 4.2757 7.9945 122.5432 61.2471 34.5151 173.5850 80 D 4.7059 8.6043 126.3797 52.4177 40.6392 175.9626 81 D 4.3556 8.6525 128.1328 57.3966 40.9353 178.3643 82 E 4.2558 8.0821 116.5611 56.8700 29.7124 176.6477 83 E 3.9947 8.2863 117.0523 58.0121 29.9121 175.2805 84 Y 4.8606 7.1521 114.4630 55.5549 41.9132 175.4870 85 L 4.1598 8.8921 123.4765 57.9682 42.4740 177.0443 86 V 4.2838 7.2637 116.4324 61.3823 35.6291 174.2285 87 T 4.4752 8.1904 119.9553 61.9515 71.2224 172.9971 88 I 4.5297 9.0262 129.5272 58.9118 38.7771 173.7763 89 P 4.1312 0.0000 0.0000 62.2465 32.2590 174.9081 90 Y 4.8611 7.8099 119.5752 54.9500 41.3075 176.0361 91 E 4.3134 8.9346 121.2448 56.4161 28.8712 177.4462 92 G 3.8642 7.1489 117.4039 46.2868 0.0000 174.1684 93 K 4.1169 8.7318 123.1076 58.9718 32.0850 178.5042 94 K 3.7536 7.7777 118.6864 57.9341 33.2819 176.9072 95 G 4.4624 8.2842 105.7513 45.6828 0.0000 173.6116 96 L 5.1704 8.7665 122.6827 51.6475 45.5288 176.1701 97 R 3.3501 7.4397 120.0606 55.9162 31.7621 177.9195 98 K 3.5811 9.0553 124.2478 59.6775 32.1628 179.0955 99 A 4.0624 7.7887 120.3869 55.1145 18.1158 179.7456 100 V 3.5487 7.5154 116.2113 66.1844 31.8028 177.9711 101 L 4.1736 7.7334 118.4343 58.1293 41.4672 179.4519 102 D 4.6593 8.9046 119.2892 57.4470 40.8062 179.0279 103 G 3.8649 8.6953 106.7195 47.6549 0.0000 175.4705 104 F 4.5730 9.0615 123.0184 61.5362 39.6362 176.9877 105 I 3.6869 8.1694 119.3988 65.1442 36.8757 178.1120 106 H 4.3415 8.3870 116.4396 58.3977 28.5687 177.3844 107 Y 4.1812 8.4271 122.0198 60.5881 38.7080 176.9952 108 L 3.5495 8.0165 121.6244 58.1112 41.8300 179.0414 109 K 3.6720 7.6860 118.6762 59.3216 32.1064 178.6902 110 V 3.4929 7.2599 118.6679 66.2772 31.3975 178.0136 111 V 3.2487 7.6727 117.8476 65.9229 31.1101 177.7772 112 L 3.9673 7.5619 118.2497 57.1838 41.4922 178.6436 113 D 4.5401 8.1924 120.9476 56.8776 40.7406 178.1936 114 E 4.0656 8.6725 120.0377 59.2477 29.5520 179.2449 115 G 3.6253 7.9821 105.7965 48.0312 0.0000 175.3735 116 Q 4.0031 8.5461 123.2368 58.7964 29.0494 177.9905 117 S 4.0805 8.2892 114.1720 61.5037 62.3800 175.5694 118 D 4.5457 8.6660 121.5570 57.5873 40.5672 179.2424 119 L 3.2393 8.2474 120.5293 58.0446 41.8921 178.8498 120 L 3.9568 7.4908 117.2647 58.1700 41.8502 179.1539 121 D 4.5071 8.3308 118.6573 56.9577 40.8467 178.4581 122 F 4.2976 8.3632 121.5125 61.4002 39.2791 176.5889 123 L 4.1905 7.5068 114.7236 55.3395 41.6714 177.3939 124 S 4.4418 7.5721 110.4089 57.2252 64.5430 173.7534 125 D 4.6202 7.9752 121.7745 52.2795 39.8568 176.2471 126 E 3.9869 8.6095 126.4292 58.6436 29.7578 178.7820 127 T 4.0069 7.8402 107.8094 63.3016 69.4016 174.9356 128 A 4.1190 8.0283 125.9551 52.4071 18.4880 177.0230 129 E 4.2527 9.0888 123.3193 59.0608 30.0218 177.7007 130 V 4.7612 7.6952 115.0496 59.5882 34.5540 174.2407 131 F 4.4162 8.0134 122.4679 56.1377 41.5237 173.8518 132 E 3.8612 7.0070 123.7555 55.1732 32.2348 173.5882 133 L 4.1539 7.7070 117.9881 53.3560 43.2524 175.9533 134 H 4.7212 8.4058 118.9260 53.8193 30.4869 173.6761 135 W 4.3893 8.8018 135.0000 55.6306 30.6565 174.9385 136 E 4.4455 9.2066 127.6541 54.4781 28.8165 175.5856 137 P 4.4542 0.0000 0.0000 65.9709 31.4363 178.2738 138 A 3.7378 8.0634 118.5423 55.3644 17.9674 179.1703 139 D 4.1320 7.8208 116.7320 56.7504 40.9256 178.5734 140 F 3.7692 7.0815 120.0441 61.1900 39.7557 176.2213 141 E 3.8097 8.7570 118.6027 59.3342 29.2875 180.2038 142 A 4.2253 7.4617 118.7268 52.2787 18.4318 179.5205 *144 I 3.9869 7.7378 122.8834 62.9817 39.2458 178.4036 145 K 3.9017 8.1580 119.8682 59.6197 31.5437 179.5657 146 K 3.9207 7.8477 117.6720 59.1519 32.1325 179.3177 147 V 3.7574 7.6774 118.0134 65.5979 31.5052 177.4108 148 A 4.0911 8.3936 118.6630 53.7980 18.2463 178.0405 149 E 4.4374 7.4248 115.0239 56.8897 30.6491 177.8846 150 T 4.1863 8.0190 116.5977 64.8606 68.8582 173.7535 151 E 4.7635 7.4928 115.5258 54.2863 33.0935 174.2589 152 K 4.3543 8.2757 118.0176 54.6430 33.2663 176.6446 153 E 3.8078 8.5507 123.1428 57.2575 30.0082 175.9809 154 Q 4.6805 8.1255 124.6746 54.8631 32.6251 172.8143 155 W 4.8577 8.9503 125.6013 55.2812 31.8170 175.8977 156 I 4.4335 8.7360 123.4468 59.3299 39.1265 175.3674 157 A 4.8682 8.4573 129.0850 51.1854 20.3024 174.7816 158 Y 4.3121 8.5061 120.2712 55.5465 40.2754 173.5584 159 P 4.2062 0.0000 0.0000 62.9338 32.1575 176.3919 160 S 4.4455 8.3169 114.5310 58.9665 63.6155 174.2682 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 S 8.32 4.49 0.00 4.00 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 -1 N 8.43 4.94 0.00 2.88 2.79 0.00 0.00 5.66 6.38 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 A 8.90 4.69 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 0 K 8.95 4.69 0.00 1.56 1.43 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.32 7.81 3 K 8.44 4.13 0.00 1.74 1.73 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.43 7.81 4 A 8.49 4.27 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 5 T 7.85 4.52 4.13 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 1.15 0.00 0.00 *7 L 9.04 3.96 0.00 1.04 1.37 0.47 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.16 3.81 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 1.10 0.00 0.00 9 Y 8.68 3.97 0.00 2.97 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 10 L 7.85 3.89 0.00 1.78 1.68 0.48 0.81 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 11 E 8.17 3.86 0.00 2.11 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 2.30 2.35 0.00 12 E 8.49 3.82 0.00 2.03 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 2.18 2.30 0.00 13 Q 8.06 3.92 0.00 1.92 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.56 0.00 0.00 0.00 0.00 0.00 1.56 1.91 0.00 14 L 8.54 4.03 0.00 1.83 1.77 1.01 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.82 4.01 0.00 1.92 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 0.00 2.36 2.45 0.00 16 K 7.77 4.04 0.00 1.75 1.83 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.04 1.34 7.81 17 H 8.48 4.92 0.00 3.09 3.29 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.31 5.10 0.00 1.89 1.75 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.37 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 20 D 8.10 4.40 0.00 2.39 2.44 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 21 Y 7.52 4.74 0.00 2.98 2.83 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 22 E 8.69 4.65 0.00 2.33 2.23 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 2.53 2.48 0.00 23 V 8.34 4.97 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 0.94 0.00 0.00 1.00 0.00 0.00 24 G 9.31 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 25 L 8.51 5.48 0.00 1.55 1.60 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 26 D 9.48 4.84 0.00 2.79 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 27 W 9.00 5.29 0.00 3.28 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 28 D 9.20 4.51 0.00 2.89 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 R 7.92 3.25 0.00 0.76 1.43 0.00 2.59 0.00 0.00 2.98 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.50 0.00 30 K 7.99 3.81 0.00 1.88 1.85 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.35 7.81 31 N 8.72 4.63 0.00 2.92 2.86 0.00 0.00 7.29 7.31 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 32 H 7.80 4.77 0.00 3.44 3.39 0.00 5.63 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.43 5.37 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 1.36 0.00 0.00 34 I 9.33 5.23 1.97 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.79 0.92 0.00 0.00 35 E 9.64 5.12 0.00 2.07 1.90 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 2.32 2.34 0.00 36 V 9.05 4.79 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 1.07 0.00 0.00 1.24 0.00 0.00 37 I 8.91 4.83 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.86 1.00 0.00 0.00 38 V 8.49 4.96 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 1.06 0.00 0.00 0.94 0.00 0.00 39 R 8.74 5.07 0.00 1.64 1.30 0.00 3.23 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 40 L 9.07 4.78 0.00 1.56 1.55 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.43 5.50 0.00 3.09 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 42 A 8.42 4.33 1.04 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 0.00 0.00 43 E 8.10 3.85 0.00 1.67 1.70 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 2.34 2.39 0.00 44 N 8.73 4.36 0.00 2.71 2.80 0.00 0.00 7.20 8.29 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 45 N 8.79 4.61 0.00 2.75 2.74 0.00 0.00 6.70 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 46 E 8.02 4.03 0.00 2.00 1.88 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 2.33 2.36 0.00 47 Q 8.12 3.92 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.44 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 48 V 7.06 3.27 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 0.58 0.00 0.00 0.87 0.00 0.00 49 A 8.52 4.29 1.26 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 0.00 0.00 50 I 7.97 4.56 1.95 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 1.64 0.77 1.02 0.00 0.00 51 D 8.36 4.52 0.00 2.72 2.63 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 52 D 8.06 4.63 0.00 2.85 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 53 V 7.22 4.25 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 0.87 0.00 0.00 0.95 0.00 0.00 *61 E 8.74 4.44 0.00 2.25 2.29 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 2.31 2.43 0.00 62 F 8.39 4.91 0.00 3.05 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 63 I 8.72 4.20 1.92 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 1.27 0.53 0.94 0.00 0.00 64 E 8.74 5.21 0.00 2.34 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 2.17 2.11 0.00 65 F 9.48 4.74 0.00 3.08 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 66 E 8.02 5.17 0.00 1.86 1.57 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 2.07 2.38 0.00 67 D 9.10 4.66 0.00 2.88 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.49 4.64 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 0.00 69 L 8.95 5.10 0.00 1.68 1.34 0.92 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.17 4.93 0.00 0.68 0.80 0.85 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 71 F 9.35 5.63 0.00 3.12 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 72 Y 9.04 5.43 0.00 3.05 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 73 N 8.83 3.92 0.00 2.13 2.49 0.00 0.00 7.39 7.88 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 74 P 0.00 4.56 0.00 1.98 2.12 0.00 3.36 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.52 0.00 75 Q 8.36 4.17 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 76 K 7.34 4.37 0.00 1.49 1.59 0.00 1.55 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.78 1.27 7.81 77 S 8.71 4.77 0.00 4.01 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 78 V 8.91 4.29 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 0.68 0.00 0.00 0.94 0.00 0.00 79 V 7.99 4.28 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 0.58 0.00 0.00 0.68 0.00 0.00 80 D 8.60 4.71 0.00 2.77 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 81 D 8.65 4.36 0.00 2.79 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 82 E 8.08 4.26 0.00 1.93 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 2.27 2.25 0.00 83 E 8.29 3.99 0.00 1.29 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 2.08 2.31 0.00 84 Y 7.15 4.86 0.00 2.87 2.95 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 85 L 8.89 4.16 0.00 1.73 1.51 1.00 0.94 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 86 V 7.26 4.28 1.28 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 0.18 0.00 0.00 -0.87 0.00 0.00 87 T 8.19 4.48 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 0.78 0.00 0.00 88 I 9.03 4.53 1.28 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 1.28 0.49 1.13 0.00 0.00 89 P 0.00 4.13 0.00 1.76 1.44 0.00 3.79 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 90 Y 7.81 4.86 0.00 3.14 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 91 E 8.93 4.31 0.00 2.16 1.93 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 2.33 2.46 0.00 92 G 7.15 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 93 K 8.73 4.12 0.00 1.85 1.84 0.00 1.84 0.00 0.00 1.87 0.00 0.00 3.11 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.60 7.81 94 K 7.78 3.75 0.00 1.93 1.55 0.00 1.47 0.00 0.00 1.55 0.00 0.00 2.33 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.21 1.28 7.81 95 G 8.28 4.46 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 0.00 0.00 0.00 96 L 8.77 5.17 0.00 1.63 1.45 1.04 1.24 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 97 R 7.44 3.35 0.00 1.28 1.32 0.00 2.93 0.00 0.00 2.81 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 98 K 9.06 3.58 0.00 1.60 1.64 0.00 1.49 0.00 0.00 1.55 0.00 0.00 3.02 0.00 0.00 3.49 0.00 0.00 0.00 0.00 1.54 0.98 7.81 99 A 7.79 4.06 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 0.00 100 V 7.52 3.55 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 1.33 0.00 0.00 0.81 0.00 0.00 101 L 7.73 4.17 0.00 1.93 2.04 0.69 1.40 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 0.00 102 D 8.90 4.66 0.00 2.96 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 0.00 103 G 8.70 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 0.00 104 F 9.06 4.57 0.00 3.77 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 0.00 105 I 8.17 3.69 2.03 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.12 0.80 0.00 0.00 106 H 8.39 4.34 0.00 3.27 3.38 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.43 4.18 0.00 3.00 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 0.00 108 L 8.02 3.55 0.00 1.17 1.55 0.77 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 109 K 7.69 3.67 0.00 1.83 1.92 0.00 1.80 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.51 7.81 110 V 7.26 3.49 2.19 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 1.01 0.00 0.00 1.01 0.00 0.00 111 V 7.67 3.25 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 0.84 0.00 0.00 -0.17 0.00 0.00 112 L 7.56 3.97 0.00 1.05 0.80 0.51 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.19 4.54 0.00 2.84 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 0.00 114 E 8.67 4.07 0.00 2.10 1.90 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 2.29 2.38 0.00 115 G 7.98 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 0.00 116 Q 8.55 4.00 0.00 2.40 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 117 S 8.29 4.08 0.00 3.98 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 0.00 118 D 8.67 4.55 0.00 3.08 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 0.00 119 L 8.25 3.24 0.00 1.11 1.56 -0.16 0.17 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 0.00 120 L 7.49 3.96 0.00 1.84 1.72 0.85 1.14 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 0.00 121 D 8.33 4.51 0.00 3.04 2.78 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 0.00 122 F 8.36 4.30 0.00 3.27 3.22 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 0.00 123 L 7.51 4.19 0.00 1.56 1.61 0.89 1.30 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 0.00 124 S 7.57 4.44 0.00 3.98 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 0.00 125 D 7.98 4.62 0.00 2.79 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 0.00 126 E 8.61 3.99 0.00 1.96 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 2.26 2.28 0.00 127 T 7.84 4.01 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 1.25 0.00 0.00 128 A 8.03 4.12 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 0.00 129 E 9.09 4.25 0.00 2.06 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 2.35 2.34 0.00 130 V 7.70 4.76 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 0.78 0.00 0.00 0.89 0.00 0.00 131 F 8.01 4.42 0.00 1.87 1.70 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 0.00 132 E 7.01 3.86 0.00 1.83 1.71 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 1.89 1.88 0.00 133 L 7.71 4.15 0.00 1.53 1.54 0.62 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 134 H 8.41 4.72 0.00 3.06 3.19 0.00 5.66 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 0.00 135 W 8.80 4.39 0.00 3.38 3.03 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 0.00 136 E 9.21 4.45 0.00 2.08 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 0.00 2.33 2.42 0.00 137 P 0.00 4.45 0.00 2.24 2.33 0.00 3.71 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 138 A 8.06 3.74 1.28 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 0.00 0.00 0.00 139 D 7.82 4.13 0.00 2.26 2.28 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 0.00 140 F 7.08 3.77 0.00 2.20 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 0.00 141 E 8.76 3.81 0.00 2.03 1.88 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 2.23 2.55 0.00 142 A 7.46 4.23 1.26 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 0.00 0.00 *144 I 7.74 3.99 1.81 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.36 0.77 0.00 0.00 145 K 8.16 3.90 0.00 1.89 1.82 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.56 7.81 146 K 7.85 3.92 0.00 1.77 1.84 0.00 1.67 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.55 7.81 147 V 7.68 3.76 2.20 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 1.14 0.00 0.00 0.94 0.00 0.00 148 A 8.39 4.09 1.28 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 0.00 0.00 0.00 149 E 7.42 4.44 0.00 2.03 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 2.23 2.47 0.00 150 T 8.02 4.19 4.39 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 1.21 0.00 0.00 151 E 7.49 4.76 0.00 2.00 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 0.00 2.30 2.27 0.00 152 K 8.28 4.35 0.00 1.74 1.77 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.47 7.81 153 E 8.55 3.81 0.00 1.89 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 2.10 0.00 154 Q 8.13 4.68 0.00 2.11 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.64 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 155 W 8.95 4.86 0.00 3.17 3.17 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 0.00 156 I 8.74 4.43 1.75 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.87 0.77 0.00 0.00 157 A 8.46 4.87 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 0.00 158 Y 8.51 4.31 0.00 2.82 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 0.00 159 P 0.00 4.21 0.00 0.92 1.32 0.00 2.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 1.41 0.00 160 S 8.32 4.45 0.00 3.85 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 * Residues marked with a * may have inaccurate shift predictions.