NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 I 4.1649 7.9829 118.5504 59.9205 38.4041 178.1898 3 S 4.1314 8.0839 119.6340 63.0442 62.0399 178.0412 4 D 4.5562 8.8271 123.2685 57.6002 41.1179 178.6883 5 S 4.1772 8.0265 115.0388 61.4952 62.6187 176.6148 6 I 3.7080 8.0539 122.2927 64.4883 36.9281 178.1174 7 S 4.2424 7.9552 112.8131 61.1913 62.3505 175.8672 8 K 4.1748 8.0256 119.6698 57.1513 32.3609 177.6555 9 R 4.0055 7.4300 119.7606 56.6213 30.4671 175.7403 10 R 4.7265 8.1226 122.2349 54.0532 34.1087 175.1084 11 S 4.4272 8.6700 116.5548 58.7587 63.0784 173.8795 12 I 4.4917 8.5129 127.2243 59.7736 38.4676 175.8246 13 R 4.6957 9.3161 122.4063 55.4177 31.7110 175.2682 14 K 4.6172 7.3913 117.7911 54.7624 35.6636 174.8424 15 Y 5.2221 8.4246 121.0745 55.7125 42.3823 175.1256 16 K 4.3264 9.3192 121.5204 56.3064 33.3151 177.9652 17 N 4.5540 8.8184 118.8864 54.2640 38.4166 175.2345 18 Q 4.3302 7.8763 118.5966 55.1799 29.5806 176.3826 19 S 4.3475 8.5429 117.9018 58.6777 63.6172 173.5563 20 I 4.5323 7.9592 123.8499 59.4688 39.1482 176.7453 21 S 4.3944 8.4126 119.9248 58.2310 65.0843 174.6455 22 H 4.0171 8.8540 122.5974 59.7292 29.5355 177.1500 23 E 3.9666 8.1741 120.4421 59.5096 29.5593 178.7961 24 T 3.8661 7.9333 115.8647 66.6266 68.4291 176.7383 25 I 3.5642 7.5846 121.4610 64.1333 37.0065 177.8583 26 E 3.8018 8.3677 120.5686 59.3499 29.2885 178.8805 27 K 3.8695 7.9925 119.3499 59.5034 32.3348 178.8707 28 I 3.5811 7.5623 119.9579 64.4097 36.9652 178.5107 29 I 3.1928 7.6919 120.8264 64.2270 36.6402 178.4019 30 E 3.9057 8.2332 118.3352 58.8510 29.3342 178.9326 31 A 4.1498 7.7473 121.5833 54.7639 18.3678 179.7675 32 G 3.2233 7.5356 103.8390 48.8093 0.0000 175.8858 33 I 3.8441 7.5064 121.2784 63.9964 37.1956 177.4025 34 N 4.6621 7.5354 114.4127 52.8242 38.8731 175.3855 35 A 4.1335 6.9648 124.2575 51.2661 19.0476 175.8039 36 P 4.7422 0.0000 0.0000 62.9282 32.5177 175.8427 37 S 4.7233 8.2170 111.8180 56.6615 65.8064 173.6329 38 S 4.1870 8.6576 117.3628 60.0680 62.3549 174.5087 39 K 3.6563 9.2605 124.9692 56.7432 29.5316 174.2601 40 N 4.1928 8.1871 113.9958 54.5899 37.7969 175.7103 41 R 3.8438 7.9512 116.3755 56.8988 30.7481 177.0054 42 Q 2.0000 7.6198 117.1477 55.8076 26.4289 172.6488 43 P 4.1717 0.0000 0.0000 63.4830 33.2107 178.1043 44 W 4.7058 6.4683 118.8098 56.8524 28.7862 175.9247 45 R 4.4979 8.7184 120.7410 54.3917 34.2995 174.0140 46 F 5.4903 8.6354 119.2853 55.7548 42.6548 174.7444 47 V 4.4064 9.0471 122.6714 61.1118 34.0974 174.4605 48 V 4.3144 8.6209 128.9463 62.3958 32.3217 175.1059 49 I 4.5514 9.0418 130.5504 60.4250 38.8394 175.5056 50 T 4.7439 8.3832 120.8607 60.3242 71.8655 175.5669 51 E 3.9995 8.9926 116.0776 59.2117 29.8393 175.4684 52 K 4.1197 7.4967 116.5542 59.3436 32.4329 177.3342 53 E 4.8144 8.4034 114.2600 55.5128 31.1864 177.5316 54 K 3.8984 7.8699 120.2566 59.5534 32.5893 177.5961 55 E 4.0140 8.2698 118.9917 59.3265 29.9462 179.0860 56 S 4.3041 7.7128 109.3922 58.9063 61.7723 175.4731 *58 L 4.1536 8.0747 122.7724 54.7719 43.5250 179.1676 59 K 4.0455 8.0846 119.8031 57.5821 31.8917 182.3267 60 A 4.3723 7.6257 120.1003 52.7073 17.6776 179.3369 *62 S 4.3930 8.1627 117.5602 60.0190 65.0994 176.3596 63 K 4.0186 8.3832 121.0531 59.4451 31.8149 179.0992 64 G 3.6927 8.1517 105.9865 48.7668 0.0000 175.7574 65 I 3.7835 7.7686 121.9851 64.0862 37.0805 178.1454 66 Q 3.9601 8.4190 120.6905 59.2410 28.8117 178.0311 67 N 4.3589 8.4577 117.6664 56.2993 38.5074 177.2292 68 E 4.0390 8.4771 120.0102 59.5784 29.3994 179.3462 69 I 3.7231 7.8335 118.8275 64.4860 37.2959 177.5676 70 N 4.5649 8.2449 114.0805 53.1498 38.4149 174.5742 71 D 4.5345 8.1334 119.0019 55.7218 40.0240 173.4962 72 N 5.0278 8.5036 112.2579 52.4737 39.4338 175.1152 73 G 4.4385 7.8877 109.4059 44.3711 0.0000 173.4009 74 L 4.6240 9.2236 118.0494 54.5700 43.9991 176.4920 75 L 4.8769 7.7456 118.0359 52.8131 41.8910 175.7890 76 P 4.3183 0.0000 0.0000 65.4356 31.8840 178.1315 77 G 3.9423 8.0524 105.6837 46.3081 0.0000 173.6835 78 S 5.0816 8.1914 115.5902 57.0307 64.3291 176.5287 79 R 3.9796 8.3660 122.7836 59.2905 29.8616 178.9099 80 Q 4.0879 8.1218 115.0132 58.4022 28.9061 176.8777 81 H 4.9823 8.2708 115.4881 55.9551 29.6913 176.8558 82 I 3.0223 7.7089 122.0691 63.9500 36.7897 177.8627 83 A 4.0484 8.0060 121.3227 55.2301 18.1213 179.6823 84 G 3.6259 8.1121 103.3735 47.9565 0.0000 175.5063 85 A 4.3464 7.7677 124.5025 54.5543 18.2297 179.5098 86 N 4.3128 8.3622 115.1064 56.4774 38.5722 177.0492 87 Y 3.9855 8.1818 121.0734 61.0218 38.6953 178.1749 88 T 3.9173 8.1721 115.9881 66.5391 68.5818 176.3671 89 V 3.7085 7.6751 119.3631 66.0626 31.8041 177.5979 90 E 4.0883 7.8649 118.0666 59.2785 29.1441 180.2433 91 I 3.5220 7.4160 117.3746 61.6543 36.7843 177.8985 *93 K 4.1429 7.9951 122.8603 56.5140 33.6843 176.8427 94 Q 4.1146 8.0084 116.4049 57.9601 29.0622 176.7287 95 A 3.8538 7.8848 121.1088 51.1096 18.7772 175.8985 96 P 4.3348 0.0000 0.0000 65.0787 31.8362 176.8967 97 V 4.4970 7.3641 117.2460 61.2392 35.3373 174.3584 98 T 4.9146 8.4989 122.6956 61.7741 72.5177 172.7035 99 I 4.9302 8.6357 126.9370 59.5590 39.8306 174.8792 100 F 4.6672 9.5814 126.7498 56.9339 40.6765 174.6552 101 I 4.9628 9.0331 124.0625 59.6644 39.5700 174.8414 102 L 5.2566 9.1950 126.5784 52.8978 45.8260 175.2210 103 N 5.2807 9.0845 120.0903 51.8508 40.1321 175.1246 104 I 3.8939 8.7359 127.5545 62.6400 38.2319 176.4983 105 L 4.5239 8.0742 118.3764 54.3561 41.8540 176.5802 106 G 3.9026 7.7478 108.8777 44.9151 0.0000 173.9696 107 K 4.4556 8.9187 122.8728 54.2755 34.0558 176.8392 108 S 4.1870 8.4426 115.7352 58.1057 62.6765 173.6685 109 P 4.1453 0.0000 0.0000 65.0794 31.0982 177.3057 110 L 4.1811 7.6768 116.5312 55.5917 42.0345 176.6253 111 E 4.5489 7.5611 117.8859 54.6155 31.0087 175.8071 112 K 4.3594 8.2611 121.1143 55.5795 33.3317 176.4330 113 L 4.9968 7.9910 121.7691 52.2977 44.8226 177.3593 114 S 4.3457 9.0815 118.1437 57.4791 64.9567 173.7188 115 P 3.8895 0.0000 0.0000 65.7611 31.0303 178.5070 116 E 4.2405 8.1812 117.3958 59.4777 29.6240 178.4893 117 E 4.0605 8.3646 118.5946 59.5044 29.2828 179.5693 118 R 3.8783 7.8780 117.1300 59.3209 30.1878 178.7966 119 F 4.6111 7.9197 116.4251 60.8361 39.0929 177.0002 120 Y 4.0880 8.4195 116.3472 60.9775 37.4117 179.1297 121 E 4.2301 8.0881 114.5837 57.2016 29.8115 177.8371 *123 A 4.4368 7.9127 123.7992 52.5766 20.4793 180.5399 124 N 4.4475 8.2290 111.6175 54.0047 38.1965 177.3819 *126 Q 4.3650 8.2568 119.1071 56.3186 31.0646 177.8589 127 S 4.3354 8.2090 113.7233 61.9805 62.7853 176.9724 128 I 4.2454 8.3556 122.5968 64.3691 36.7367 178.6926 129 G 3.9915 8.4421 106.0653 47.8219 0.0000 175.2651 130 A 4.0471 8.3219 122.8750 54.9300 17.9897 179.5550 131 A 3.5065 7.8346 119.0387 55.3988 18.1766 180.0390 132 I 3.3211 7.5409 117.0989 64.1240 37.1214 178.2064 133 Q 4.2241 8.2346 120.8166 59.0599 28.8661 178.6168 134 N 4.3494 8.0673 115.2400 54.0159 38.7716 177.0101 *136 S 4.3246 8.0131 118.0357 58.6985 65.1131 176.3819 137 L 4.0236 8.1326 120.3728 58.0690 41.2346 179.7805 138 T 3.8537 8.0989 115.6296 66.2966 68.2905 176.5114 139 A 3.9032 7.8938 122.3196 55.1905 18.3731 179.5839 140 V 3.7523 7.5609 117.7564 65.7856 31.3891 178.0492 141 E 3.9938 7.9798 116.8675 59.1951 29.3843 178.5402 142 L 4.3808 7.8098 116.2415 54.7763 42.0225 177.8000 143 G 3.9922 8.1399 107.7577 45.1865 0.0000 173.5005 144 L 4.4227 7.9334 120.4097 53.6133 44.2577 175.4561 145 G 4.3982 9.1050 107.4706 44.8708 0.0000 171.9242 146 S 5.4530 8.2338 112.6308 57.0378 67.0416 172.6755 147 L 5.0198 8.9648 122.1712 53.0649 44.9471 174.9906 148 W 4.7453 9.0639 135.0000 57.0932 31.9286 175.2346 149 I 4.6465 9.2601 127.4796 59.5612 39.9623 175.6355 150 C 4.2193 8.6573 123.3687 59.4388 28.7383 175.2339 151 D 4.6142 8.0056 121.5121 56.9180 40.3420 178.3582 152 V 3.7877 7.9515 112.7747 64.5581 31.2421 177.6195 153 Y 4.6486 7.9043 115.8716 60.6373 37.7237 177.5718 154 F 4.6289 8.2607 116.8610 58.4929 39.4527 175.0563 155 A 5.1438 8.4932 122.4182 49.7522 19.8572 177.9010 156 Y 4.0807 8.6909 121.7189 62.7334 38.9207 177.4651 157 R 4.0422 8.1796 118.1882 59.2481 29.9616 178.8480 158 E 4.0420 8.1762 118.0147 59.4529 29.5188 179.2346 159 L 4.1459 8.4364 119.4854 57.7851 41.6373 179.2640 160 C 4.0526 8.0485 116.8910 62.5621 28.0020 175.7659 161 E 3.8920 8.3231 120.9732 58.9352 29.0522 178.5781 162 W 4.0200 8.1155 127.2376 60.5805 30.9073 177.7475 163 L 3.7732 8.3582 117.2744 55.0535 41.9009 176.3065 164 N 4.0076 7.5986 116.8638 54.8983 37.7351 173.2724 165 T 4.5707 7.5149 110.5827 60.4843 69.8766 173.2094 166 D 4.6898 8.5111 125.0606 53.3833 40.1504 176.4501 167 S 4.6143 7.9310 117.2680 57.3777 64.6500 172.6767 168 Q 4.4302 8.3138 123.2154 55.8236 30.1000 174.4116 169 L 4.5461 8.5507 129.0198 55.3094 42.1722 176.0106 170 V 4.5820 8.7173 126.1681 64.4413 33.3289 174.9803 171 A 4.5918 7.4895 118.9187 51.5827 22.4570 174.5567 172 A 4.8294 8.4930 120.1518 50.0507 23.0570 175.2190 173 I 4.8195 8.4482 119.1201 59.4086 41.1328 174.4877 174 S 5.0146 8.8260 125.6124 57.4749 64.5001 173.3187 175 L 4.9674 8.5236 122.1494 52.8626 46.5456 175.7999 176 G 3.7018 7.7630 107.8363 46.1868 0.0000 171.4633 177 Y 4.6881 7.7508 117.6860 57.0633 38.9469 174.2572 178 P 4.5241 0.0000 0.0000 62.3833 32.6545 175.2561 179 D 5.1322 8.4737 121.5109 53.4506 41.8992 174.9337 180 E 4.7153 7.8878 112.0878 55.1871 32.2028 174.7045 181 E 4.5836 8.1236 119.4559 53.6864 29.6969 172.6603 182 P 4.3964 0.0000 0.0000 61.6168 32.4438 176.7766 183 S 4.3801 8.2817 116.2852 57.3049 63.9305 173.8392 184 R 3.8798 8.3857 120.9154 56.8412 30.0501 176.5478 185 R 4.2283 8.3055 123.4132 54.9356 30.9639 174.6328 186 P 4.4075 0.0000 0.0000 63.1614 31.8787 176.4264 187 R 4.6867 8.0886 119.2900 53.9869 34.0219 175.3331 188 L 4.1038 8.4188 121.2948 55.1431 42.4602 177.1677 189 Q 4.4061 9.0538 121.1076 54.8095 29.9604 177.0174 190 L 4.0277 8.5173 120.8897 58.5104 41.7463 179.2587 191 S 4.3006 8.0550 112.6875 61.1030 63.1471 175.5517 192 D 4.5998 8.0589 121.7443 55.8918 40.7379 177.2168 193 V 4.4332 7.4318 109.6342 60.8301 33.0953 175.3428 194 T 4.4903 7.7958 116.1368 61.3800 71.4939 172.6967 195 E 4.6093 8.5082 125.5872 54.0673 31.7572 174.7920 196 W 4.7017 8.9906 126.2658 55.2447 30.4707 176.3981 197 R 4.2996 8.5460 121.6514 56.3859 30.3578 175.3173 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 7.98 4.16 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.64 0.91 0.00 0.00 3 S 8.08 4.13 0.00 3.81 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 4 D 8.83 4.56 0.00 2.68 2.75 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 5 S 8.03 4.18 0.00 3.86 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 6 I 8.05 3.71 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 1.43 0.59 0.93 0.00 0.00 7 S 7.96 4.24 0.00 3.89 4.04 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 8 K 8.03 4.17 0.00 2.11 1.86 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.46 1.31 7.81 9 R 7.43 4.01 0.00 1.98 1.87 0.00 3.29 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 10 R 8.12 4.73 0.00 1.77 1.76 0.00 3.53 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 11 S 8.67 4.43 0.00 3.88 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 12 I 8.51 4.49 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.79 0.21 0.00 0.00 13 R 9.32 4.70 0.00 1.74 2.00 0.00 3.22 0.00 0.00 3.46 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 14 K 7.39 4.62 0.00 1.52 1.58 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.41 7.81 15 Y 8.42 5.22 0.00 2.87 2.81 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 16 K 9.32 4.33 0.00 1.81 1.84 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.85 1.74 7.81 17 N 8.82 4.55 0.00 2.74 2.87 0.00 0.00 7.02 7.69 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 18 Q 7.88 4.33 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 19 S 8.54 4.35 0.00 3.89 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 20 I 7.96 4.53 1.81 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.65 0.82 0.00 0.00 21 S 8.41 4.39 0.00 4.08 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 22 H 8.85 4.02 0.00 3.21 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.17 3.97 0.00 2.09 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 2.38 2.41 0.00 24 T 7.93 3.87 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 25 I 7.58 3.56 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.68 0.77 0.00 0.00 26 E 8.37 3.80 0.00 2.07 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 2.29 2.32 0.00 27 K 7.99 3.87 0.00 1.89 1.92 0.00 1.54 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.47 7.81 28 I 7.56 3.58 1.84 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.84 0.70 0.00 0.00 29 I 7.69 3.19 1.64 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.42 0.49 0.00 0.00 30 E 8.23 3.91 0.00 1.93 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 2.33 2.41 0.00 31 A 7.75 4.15 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 32 G 7.54 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 0.00 0.00 0.00 33 I 7.51 3.84 2.06 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 1.86 0.80 1.05 0.00 0.00 34 N 7.54 4.66 0.00 2.76 2.85 0.00 0.00 6.98 7.36 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 35 A 6.96 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.74 0.00 2.27 2.13 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 37 S 8.22 4.72 0.00 3.88 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 38 S 8.66 4.19 0.00 3.87 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 39 K 9.26 3.66 0.00 1.92 1.86 0.00 1.97 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.35 7.81 40 N 8.19 4.19 0.00 2.78 2.82 0.00 0.00 7.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.68 1.65 0.00 119 F 7.92 4.61 0.00 3.21 2.86 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 0.00 120 Y 8.42 4.09 0.00 3.26 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 0.00 121 E 8.09 4.23 0.00 2.17 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 0.00 2.58 2.48 0.00 *123 A 7.91 4.44 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 N 8.23 4.45 0.00 2.88 2.89 0.00 0.00 7.05 8.66 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 *126 Q 8.26 4.36 0.00 2.39 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.47 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 127 S 8.21 4.34 0.00 4.24 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 0.00 128 I 8.36 4.25 2.08 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 1.85 1.10 1.08 0.00 0.00 129 G 8.44 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 0.00 0.00 0.00 130 A 8.32 4.05 1.46 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 0.00 131 A 7.83 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 I 7.54 3.32 0.64 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 1.07 0.52 -0.93 0.00 0.00 133 Q 8.23 4.22 0.00 2.51 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.04 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 134 N 8.07 4.35 0.00 2.76 2.68 0.00 0.00 7.02 8.37 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 *136 S 8.01 4.32 0.00 4.08 3.98 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 0.00 0.00 0.00 137 L 8.13 4.02 0.00 1.77 1.70 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 138 T 8.10 3.85 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 0.00 139 A 7.89 3.90 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 0.00 140 V 7.56 3.75 2.24 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 1.17 0.00 0.00 0.94 0.00 0.00 141 E 7.98 3.99 0.00 2.40 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 2.35 2.23 0.00 142 L 7.81 4.38 0.00 1.72 1.71 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.14 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 0.00 0.00 0.00 144 L 7.93 4.42 0.00 1.66 1.50 0.73 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 145 G 9.10 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.23 5.45 0.00 3.93 3.89 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 0.00 147 L 8.96 5.02 0.00 2.11 1.60 1.01 1.44 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 0.00 148 W 9.06 4.75 0.00 3.47 2.86 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 0.00 149 I 9.26 4.65 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.73 0.91 0.00 0.00 150 C 8.66 4.22 0.00 2.76 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 0.00 0.00 0.00 0.00 151 D 8.01 4.61 0.00 2.77 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 0.00 152 V 7.95 3.79 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 0.91 0.00 0.00 0.87 0.00 0.00 153 Y 7.90 4.65 0.00 2.81 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 0.00 154 F 8.26 4.63 0.00 3.31 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 A 8.49 5.14 1.33 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 0.00 0.00 0.00 156 Y 8.69 4.08 0.00 3.34 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 0.00 157 R 8.18 4.04 0.00 1.99 2.04 0.00 3.25 0.00 0.00 3.41 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 158 E 8.18 4.04 0.00 2.23 2.04 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 2.45 2.51 0.00 159 L 8.44 4.15 0.00 1.68 1.57 1.10 0.64 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 0.00 160 C 8.05 4.05 0.00 3.01 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 0.00 161 E 8.32 3.89 0.00 2.11 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 2.35 2.37 0.00 162 W 8.12 4.02 0.00 3.35 3.30 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 0.00 163 L 8.36 3.77 0.00 1.61 1.64 0.73 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 164 N 7.60 4.01 0.00 2.62 2.66 0.00 0.00 6.94 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 T 7.51 4.57 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 1.28 0.00 0.00 166 D 8.51 4.69 0.00 2.81 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 0.00 167 S 7.93 4.61 0.00 3.91 3.98 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 0.00 0.00 0.00 168 Q 8.31 4.43 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.12 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 169 L 8.55 4.55 0.00 1.59 1.30 1.28 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 170 V 8.72 4.58 2.38 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 1.03 0.00 0.00 1.14 0.00 0.00 171 A 7.49 4.59 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 A 8.49 4.83 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 I 8.45 4.82 1.56 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.48 0.75 0.00 0.00 174 S 8.83 5.01 0.00 3.73 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 0.00 175 L 8.52 4.97 0.00 1.30 1.28 0.76 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 176 G 7.76 3.70 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 0.00 0.00 0.00 177 Y 7.75 4.69 0.00 3.05 2.97 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 0.00 178 P 0.00 4.52 0.00 2.20 2.01 0.00 3.95 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 179 D 8.47 5.13 0.00 2.61 2.58 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 0.00 0.00 0.00 0.00 180 E 7.89 4.72 0.00 2.03 1.81 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 2.04 2.20 0.00 181 E 8.12 4.58 0.00 2.13 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 0.00 2.18 1.88 0.00 182 P 0.00 4.40 0.00 2.07 1.95 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 183 S 8.28 4.38 0.00 3.97 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 0.00 184 R 8.39 3.88 0.00 1.79 1.90 0.00 3.24 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 185 R 8.31 4.23 0.00 1.82 1.83 0.00 3.49 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 186 P 0.00 4.41 0.00 2.03 1.99 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 187 R 8.09 4.69 0.00 1.73 1.76 0.00 3.37 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.57 0.00 188 L 8.42 4.10 0.00 1.63 1.61 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 189 Q 9.05 4.41 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 190 L 8.52 4.03 0.00 1.77 1.75 1.06 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 191 S 8.05 4.30 0.00 4.11 4.04 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 0.00 192 D 8.06 4.60 0.00 2.85 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 0.00 193 V 7.43 4.43 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 0.71 0.00 0.00 0.98 0.00 0.00 194 T 7.80 4.49 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 195 E 8.51 4.61 0.00 1.87 1.75 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 2.19 2.32 0.00 196 W 8.99 4.70 0.00 3.27 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 0.00 197 R 8.55 4.30 0.00 1.76 1.80 0.00 3.50 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.