NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.3270 8.1127 119.6523 56.0916 32.4597 173.3515 6 E 4.5078 8.4500 121.8189 54.0326 31.6288 174.2978 7 A 4.1660 7.8195 129.9197 51.1939 21.4602 175.2410 *9 T 4.5228 8.2187 107.4115 62.0107 70.5276 173.2202 10 V 5.0499 8.2509 119.9446 60.1318 34.9981 174.8515 11 G 4.3907 9.5861 108.9922 44.5216 0.0000 171.8240 12 V 5.1099 8.4807 122.7310 59.7747 34.7584 174.3260 13 D 4.9182 8.9514 121.2131 52.4406 45.0123 173.6572 14 L 5.2589 8.5831 125.4999 53.2539 44.9730 175.5580 15 V 4.4725 8.9405 125.5953 61.1020 34.8638 174.1352 16 H 4.2307 9.0225 128.6647 55.9988 30.0725 175.7872 17 I 3.7998 8.2819 129.1728 64.0698 37.2502 176.0579 18 P 4.3366 0.0000 0.0000 66.0197 31.1097 178.3806 19 G 3.7882 7.8323 103.3677 48.1741 0.0000 175.0602 20 F 4.2388 8.0961 122.0176 61.0397 39.3196 177.2123 21 A 3.7562 8.0351 120.7257 54.6073 18.0962 179.4387 22 E 3.9607 7.8465 117.3682 58.9729 29.7712 178.9992 23 Q 3.9863 7.8967 118.1640 58.7195 28.8267 178.4574 24 L 3.8727 7.3450 120.7091 57.1294 42.3397 178.1498 25 S 4.4958 7.6866 112.9777 57.9232 64.0628 174.6456 26 R 4.1046 7.1348 118.7633 55.1858 28.7780 174.6986 27 P 4.1111 0.0000 0.0000 64.4509 31.7690 177.1877 28 G 3.7661 8.7750 108.9790 46.1235 0.0000 173.6185 29 S 4.4174 7.2804 110.6766 58.0073 63.2288 173.9369 30 T 4.4850 8.0988 120.0916 63.9541 70.6001 176.1971 31 F 4.0607 8.1485 122.7418 61.3692 38.9268 176.9453 32 E 4.1322 8.3712 117.8601 59.7722 29.0802 179.0862 33 Q 4.1433 8.5473 116.6708 58.2108 28.7850 178.1133 34 V 3.6971 7.1430 118.4190 64.3273 31.6592 175.7751 35 F 5.0908 7.1451 116.6145 55.2659 40.9763 176.4068 36 S 4.4260 9.1148 120.2892 57.5926 64.9314 173.6923 37 P 4.2481 0.0000 0.0000 66.1026 31.0639 178.7352 38 L 4.0074 7.9579 116.8614 58.0535 41.4316 179.4218 39 E 4.1242 8.0631 116.6012 58.9010 29.4808 178.8218 40 R 4.1876 8.0351 116.4464 57.2217 30.3373 178.4445 41 R 4.0845 7.8464 119.2092 59.1723 29.9847 177.1027 42 H 4.7079 7.7401 115.4841 56.3510 29.8476 175.1851 43 A 4.4985 7.3346 119.4735 51.5678 20.8466 178.5901 44 Q 4.0928 8.3244 114.6436 59.2106 28.7614 177.6373 45 T 4.2920 7.7440 104.7770 61.8718 69.3749 175.2092 *62 R 4.3408 7.8949 120.2563 56.9990 31.6199 177.9305 63 T 3.8822 7.8895 114.7828 66.3722 68.4405 176.0951 64 E 3.8055 8.2126 120.1145 59.9573 29.4982 178.7809 65 H 4.0446 8.1538 117.1190 59.6514 29.7774 177.0527 66 L 3.8384 8.4208 120.5392 57.3381 41.4587 179.1402 67 A 2.9007 7.9852 120.7276 53.9997 18.0686 179.9027 68 G 3.5278 7.6160 104.9664 47.8271 0.0000 176.2637 69 R 4.0133 7.9110 120.3955 58.8461 30.0194 178.9841 70 W 4.5222 8.7750 128.2638 60.5019 30.7697 177.8761 71 A 4.3108 8.4041 121.8912 54.5462 17.9286 179.3548 72 A 3.9841 8.2923 119.5131 55.3430 18.4303 180.1122 73 K 4.1229 8.1578 116.8929 59.7589 32.2509 179.5226 74 E 3.8041 8.0246 118.9025 59.1716 29.2204 179.3572 75 A 4.0262 8.0668 121.0282 54.8304 18.4389 179.5001 76 F 4.1617 8.2385 118.7860 61.6373 39.6243 177.1369 77 I 3.5475 7.8448 119.4588 64.5196 36.8461 178.4885 78 K 3.8779 7.9001 118.1630 59.4795 31.8083 179.2395 79 A 4.0207 8.4342 121.3819 54.9235 18.0151 179.4977 80 W 4.1447 7.8102 126.0053 60.5826 31.1355 178.3275 81 S 4.0055 8.4907 115.5438 61.5373 61.9811 176.6789 82 Q 4.1638 8.3390 120.1948 58.5779 28.5292 178.0176 83 A 4.4610 7.7076 121.9322 53.0951 18.6013 177.9646 84 I 4.3677 7.2546 117.8081 60.8375 37.7371 174.6277 85 Y 4.1198 8.0072 122.2738 59.2148 38.6924 176.5855 86 G 3.7795 8.4335 114.8491 45.3076 0.0000 172.7924 87 K 4.5819 7.5477 118.1018 53.5450 34.7668 174.3352 88 P 4.4387 0.0000 0.0000 61.2637 32.0419 174.8540 89 P 4.0863 0.0000 0.0000 63.0016 31.7925 177.1534 90 V 3.6904 7.9138 121.8608 64.8259 31.9023 176.2080 91 I 4.4525 6.9289 117.9364 59.3113 39.5732 174.5630 92 E 4.3894 8.2334 122.1468 54.5359 31.1078 175.5277 93 P 4.2095 0.0000 0.0000 66.0699 31.4898 178.3449 94 D 4.5320 8.0068 115.3497 56.5730 40.8944 177.1547 95 L 4.2568 7.8388 117.9772 55.5943 42.0998 177.3025 96 V 3.6169 7.1860 113.1550 60.5888 31.9971 175.7525 97 N 4.6281 8.4982 123.7580 52.6418 38.1055 175.2599 98 F 4.3136 8.8045 125.1672 59.6380 39.4163 177.6406 99 A 4.3423 7.9996 122.6190 54.4103 18.3193 177.9608 100 E 4.2621 8.4690 114.8903 57.1707 29.7467 176.0291 101 I 4.7038 7.5805 120.4560 59.0989 37.9847 174.3230 102 E 4.9167 9.0111 124.8150 54.5166 32.7319 175.9464 103 V 4.6357 8.6971 115.6589 59.9425 32.6042 175.2548 104 L 4.5321 8.8467 130.2427 53.0920 42.8094 174.2824 105 P 5.4507 0.0000 0.0000 62.0652 33.1638 175.5575 106 D 4.7261 8.3916 120.8229 52.0551 41.7422 177.1305 107 R 3.5135 8.0660 116.6097 58.6244 29.7556 177.8187 108 W 4.6352 8.0978 115.3043 56.3616 29.1486 177.3438 109 G 4.0175 8.1184 106.9649 45.3091 0.0000 174.8354 110 R 4.3192 8.3286 116.9662 56.2481 30.8615 176.0830 111 V 5.0862 8.2099 112.5890 59.9730 35.1531 174.8708 112 A 4.6694 8.3619 123.4465 50.8449 23.0791 175.1948 113 L 4.7794 8.4367 121.2526 53.7828 43.2237 175.9581 114 Q 4.4444 8.8056 125.2699 54.3247 31.2182 174.6413 115 L 5.0594 8.3581 126.5808 54.1190 43.7859 175.6479 116 K 4.3749 8.9128 119.4768 55.6409 36.7663 177.2016 117 G 3.7652 8.8410 108.7864 47.0010 0.0000 176.1062 118 E 3.9383 10.0748 122.6693 59.0214 29.4600 178.5853 119 V 3.7511 8.1349 118.1632 66.1979 31.7181 177.9173 120 A 3.8664 7.8641 119.6538 55.0130 18.2774 179.5204 121 A 3.9704 7.8780 119.0962 55.1665 18.4100 179.9316 122 K 4.1717 8.7566 117.0301 58.8696 32.2059 179.4333 123 L 3.6747 7.8278 121.2588 57.9230 41.7809 178.6764 124 Q 4.1026 7.8908 119.1415 58.6382 28.7135 177.2556 125 E 4.1930 7.9097 119.1239 57.5562 29.9919 177.6212 126 S 4.4984 7.8374 113.4572 60.0598 63.8127 174.2387 127 I 4.1850 8.6735 119.8252 63.0969 39.3160 175.6579 128 G 3.8351 7.8782 107.1547 43.9587 0.0000 172.7825 129 D 4.5149 8.4210 122.3917 54.8648 41.4900 175.6826 130 V 4.9015 7.9146 113.8022 59.8774 36.3777 174.0467 131 E 4.7579 9.5714 122.7792 54.4617 32.4682 174.4948 132 L 5.4418 8.6798 125.3163 52.9160 45.0784 175.6051 133 A 4.8165 8.7704 123.4272 50.1785 22.2178 174.8303 134 L 5.3473 8.5009 122.5054 53.7249 46.0482 175.2226 135 S 4.7736 8.8609 116.5126 57.0201 66.2267 172.7351 136 I 5.1846 8.2869 125.2344 59.8899 40.4635 174.6662 137 S 4.8535 9.0846 118.8982 57.5601 66.1374 172.6837 138 H 5.3885 8.2350 118.9472 54.3404 31.7118 172.0068 139 D 4.4204 9.5551 117.5834 54.7382 45.4505 176.8364 140 G 3.7723 8.5229 112.9152 47.6153 0.0000 173.8885 141 D 4.7748 8.7517 124.4138 54.1890 40.9655 174.7743 142 Y 5.3104 8.2684 116.6166 56.3119 42.6408 173.9671 143 A 5.3661 9.1765 124.3058 50.5499 22.3016 175.1651 144 T 5.6708 9.6017 114.5090 59.6636 71.7526 172.2955 145 A 5.1559 8.2152 125.0539 50.9285 23.2975 174.7907 146 L 5.2236 8.9029 120.5412 53.6489 46.1375 174.4867 147 C 5.3144 9.5687 126.4096 57.5449 34.6702 171.9295 148 L 5.0397 8.8513 128.6179 53.3881 43.7464 174.5013 149 L 5.2341 9.2266 128.8194 53.4000 44.3381 175.4586 150 R 5.1176 9.1686 125.8891 54.7479 33.2482 174.6623 151 Y 5.0775 8.5402 120.2714 56.2745 42.1994 172.7884 152 Q 4.6228 8.7686 121.1035 54.4616 30.6484 175.2981 153 R 4.3331 8.0622 121.9392 56.3347 29.1979 175.3773 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 R 8.11 4.33 0.00 1.72 1.86 0.00 3.17 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 6 E 8.45 4.51 0.00 1.97 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 2.10 2.46 0.00 7 A 7.82 4.17 0.29 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 *9 T 8.22 4.52 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 1.40 0.00 0.00 10 V 8.25 5.05 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 0.75 0.00 0.00 1.00 0.00 0.00 11 G 9.59 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 0.00 0.00 0.00 0.00 12 V 8.48 5.11 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 0.75 0.00 0.00 0.96 0.00 0.00 13 D 8.95 4.92 0.00 2.68 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.58 5.26 0.00 1.66 1.56 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.94 4.47 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 0.96 0.00 0.00 1.10 0.00 0.00 16 H 9.02 4.23 0.00 3.22 3.18 0.00 5.74 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.28 3.80 1.82 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 1.47 0.71 0.94 0.00 0.00 18 P 0.00 4.34 0.00 1.83 2.01 0.00 3.49 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 19 G 7.83 3.79 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 0.00 0.00 0.00 20 F 8.10 4.24 0.00 3.05 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.04 3.76 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.85 3.96 0.00 2.20 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 0.00 2.33 2.50 0.00 23 Q 7.90 3.99 0.00 2.18 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.03 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 24 L 7.35 3.87 0.00 1.10 1.47 0.58 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.69 4.50 0.00 3.97 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 26 R 7.13 4.10 0.00 1.93 2.03 0.00 3.06 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.58 0.00 27 P 0.00 4.11 0.00 2.18 2.01 0.00 3.66 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 2.10 2.08 0.00 28 G 8.77 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 0.00 0.00 0.00 29 S 7.28 4.42 0.00 3.81 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 30 T 8.10 4.48 4.19 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 1.26 0.00 0.00 31 F 8.15 4.06 0.00 2.76 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 32 E 8.37 4.13 0.00 2.09 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 2.40 2.42 0.00 33 Q 8.55 4.14 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 34 V 7.14 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 -0.33 0.00 0.00 0.75 0.00 0.00 35 F 7.15 5.09 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 9.11 4.43 0.00 4.14 4.09 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 0.00 0.00 0.00 37 P 0.00 4.25 0.00 2.20 2.21 0.00 3.66 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 2.16 2.26 0.00 38 L 7.96 4.01 0.00 1.77 1.75 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.06 4.12 0.00 2.39 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 0.00 2.48 2.46 0.00 40 R 8.04 4.19 0.00 1.98 1.99 0.00 3.23 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 41 R 7.85 4.08 0.00 1.90 2.17 0.00 2.99 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 42 H 7.74 4.71 0.00 3.11 3.21 0.00 5.75 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 43 A 7.33 4.50 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.32 4.09 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.26 0.00 0.00 0.00 0.00 0.00 2.52 2.28 0.00 45 T 7.74 4.29 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 1.22 0.00 0.00 *62 R 7.89 4.34 0.00 2.02 2.39 0.00 2.96 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 63 T 7.89 3.88 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 1.28 0.00 0.00 64 E 8.21 3.81 0.00 1.88 1.61 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 2.33 2.36 0.00 65 H 8.15 4.04 0.00 3.18 3.44 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.42 3.84 0.00 1.97 1.80 0.41 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.99 2.90 0.58 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 0.00 0.00 68 G 7.62 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.91 4.01 0.00 2.15 2.39 0.00 3.12 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 70 W 8.78 4.52 0.00 3.52 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 71 A 8.40 4.31 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 72 A 8.29 3.98 1.43 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 73 K 8.16 4.12 0.00 1.90 2.17 0.00 1.96 0.00 0.00 1.98 0.00 0.00 3.48 0.00 0.00 3.50 0.00 0.00 0.00 0.00 1.78 1.81 7.81 74 E 8.02 3.80 0.00 1.78 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 1.47 1.47 0.00 75 A 8.07 4.03 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 76 F 8.24 4.16 0.00 3.18 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.84 3.55 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.89 0.84 0.00 0.00 78 K 7.90 3.88 0.00 1.96 1.85 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.54 7.81 79 A 8.43 4.02 1.40 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 80 W 7.81 4.14 0.00 2.61 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 81 S 8.49 4.01 0.00 3.89 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 82 Q 8.34 4.16 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 83 A 7.71 4.46 1.22 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 84 I 7.25 4.37 1.96 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 1.37 0.83 0.75 0.00 0.00 85 Y 8.01 4.12 0.00 3.07 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 86 G 8.43 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.55 4.58 0.00 1.87 1.67 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.36 7.81 88 P 0.00 4.44 0.00 1.97 1.91 0.00 3.63 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 89 P 0.00 4.09 0.00 1.89 1.78 0.00 3.57 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 90 V 7.91 3.69 1.65 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 0.90 0.00 0.00 0.82 0.00 0.00 91 I 6.93 4.45 1.72 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.09 0.86 0.00 0.00 92 E 8.23 4.39 0.00 1.95 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 2.30 2.22 0.00 93 P 0.00 4.21 0.00 2.18 2.17 0.00 3.55 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 2.09 2.08 0.00 94 D 8.01 4.53 0.00 2.67 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.84 4.26 0.00 1.68 1.68 0.91 0.94 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 96 V 7.19 3.62 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 -0.19 0.00 0.00 97 N 8.50 4.63 0.00 2.73 2.93 0.00 0.00 7.23 7.71 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 98 F 8.80 4.31 0.00 3.28 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.00 4.34 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 0.00 100 E 8.47 4.26 0.00 2.20 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 2.34 2.31 0.00 101 I 7.58 4.70 2.06 0.00 0.00 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 1.35 0.70 0.80 0.00 0.00 102 E 9.01 4.92 0.00 2.09 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 0.00 2.41 2.26 0.00 103 V 8.70 4.64 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 0.74 0.00 0.00 0.96 0.00 0.00 104 L 8.85 4.53 0.00 1.77 1.56 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 5.45 0.00 2.10 2.05 0.00 3.45 0.00 0.00 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.82 0.00 106 D 8.39 4.73 0.00 2.89 2.98 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 0.00 107 R 8.07 3.51 0.00 0.67 0.86 0.00 2.56 0.00 0.00 2.92 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.98 0.00 108 W 8.10 4.64 0.00 3.44 3.10 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 0.00 109 G 8.12 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.33 4.32 0.00 1.93 2.13 0.00 2.93 0.00 0.00 3.51 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.83 0.00 111 V 8.21 5.09 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 0.80 0.00 0.00 0.96 0.00 0.00 112 A 8.36 4.67 1.20 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 0.00 0.00 113 L 8.44 4.78 0.00 1.41 1.36 0.88 0.73 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 0.00 114 Q 8.81 4.44 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.81 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 115 L 8.36 5.06 0.00 1.43 1.44 0.29 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.91 4.37 0.00 1.77 1.86 0.00 1.45 0.00 0.00 1.98 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.40 7.81 117 G 8.84 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 0.00 0.00 0.00 118 E 10.07 3.94 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 2.35 2.34 0.00 119 V 8.13 3.75 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 1.05 0.00 0.00 1.08 0.00 0.00 120 A 7.86 3.87 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 0.00 121 A 7.88 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.76 4.17 0.00 2.11 2.15 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.60 1.69 7.81 123 L 7.83 3.67 0.00 0.68 1.44 -0.09 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 7.89 4.10 0.00 2.34 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.47 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 125 E 7.91 4.19 0.00 2.06 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 0.00 2.33 2.34 0.00 126 S 7.84 4.50 0.00 4.16 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 0.00 127 I 8.67 4.19 1.70 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.75 0.45 0.00 0.00 128 G 7.88 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 0.00 129 D 8.42 4.51 0.00 2.70 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 0.00 130 V 7.91 4.90 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 0.66 0.00 0.00 0.90 0.00 0.00 131 E 9.57 4.76 0.00 1.97 1.77 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 2.20 2.26 0.00 132 L 8.68 5.44 0.00 1.52 1.56 0.83 0.93 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 0.00 133 A 8.77 4.82 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 0.00 134 L 8.50 5.35 0.00 1.62 1.51 1.02 0.87 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 0.00 135 S 8.86 4.77 0.00 3.93 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 0.00 136 I 8.29 5.18 1.89 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 1.25 0.81 1.02 0.00 0.00 137 S 9.08 4.85 0.00 3.84 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 0.00 138 H 8.23 5.39 0.00 3.34 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 D 9.56 4.42 0.00 2.64 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 0.00 140 G 8.52 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 0.00 0.00 0.00 141 D 8.75 4.77 0.00 2.69 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 Y 8.27 5.31 0.00 2.97 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 0.00 143 A 9.18 5.37 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 0.00 144 T 9.60 5.67 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 145 A 8.22 5.16 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 0.00 146 L 8.90 5.22 0.00 1.67 1.47 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 147 C 9.57 5.31 0.00 3.06 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 0.00 148 L 8.85 5.04 0.00 1.84 1.54 0.95 0.18 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 0.00 149 L 9.23 5.23 0.00 1.72 1.63 0.97 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 150 R 9.17 5.12 0.00 1.96 1.82 0.00 3.39 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 151 Y 8.54 5.08 0.00 3.17 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 0.00 152 Q 8.77 4.62 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 153 R 8.06 4.33 0.00 1.76 1.75 0.00 3.09 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.