NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.4299 8.3049 120.3514 55.2381 34.3267 175.7523 5 F 4.8391 7.9525 115.9337 57.3124 39.8798 176.3171 6 R 3.9614 8.6681 118.8712 58.8702 30.7190 175.2743 7 K 5.1007 8.4298 117.1057 54.7150 36.0164 174.5907 8 V 4.9416 9.3436 126.9193 60.9831 35.0643 173.5495 9 L 5.1054 8.8871 129.5490 53.3337 44.5894 174.7017 10 F 5.2564 9.0682 127.9510 54.9114 41.9710 171.3135 11 P 5.0040 0.0000 0.0000 61.5555 32.2070 175.4356 12 T 4.2402 8.7619 119.9616 59.6283 69.7064 173.4766 13 D 4.4479 8.0279 125.5135 53.6731 40.2918 177.1997 14 F 3.7536 6.1817 113.7906 59.3319 36.4738 175.1910 15 S 5.0311 7.8297 119.5705 55.6646 67.5276 174.8560 16 E 4.2190 8.9474 121.7545 59.9007 29.1382 179.7947 17 G 4.1233 8.4936 105.7913 47.5934 0.0000 174.5083 18 A 4.1814 7.5914 121.2997 55.3389 18.0096 178.6180 19 Y 4.3796 8.2083 113.7020 61.6740 38.1509 179.8786 20 R 4.1199 8.8944 118.5920 58.9593 30.1205 178.7991 21 A 3.9864 9.0819 122.0867 55.3510 18.2429 180.1917 22 V 3.7896 7.7640 109.8726 64.5921 31.4376 178.2435 23 E 4.0197 8.3756 116.7466 59.7506 29.6171 179.1501 24 V 3.8056 8.5352 118.5814 66.3512 31.5738 177.8462 25 F 3.8423 8.4892 120.0795 61.0404 38.9317 176.5809 26 E 4.4552 8.2812 119.9379 58.6670 29.5073 178.8632 27 K 4.1089 7.8636 117.2581 59.5932 32.3346 179.4497 28 R 3.9566 7.6358 116.2596 58.1316 30.5836 176.8184 29 N 4.2912 7.3986 116.7427 53.0045 39.2695 174.5862 30 K 4.5128 8.3108 122.2032 56.1619 34.0076 176.2501 31 M 4.3222 8.0402 118.4533 54.8588 32.8024 174.9351 32 E 4.5279 8.5254 121.9835 55.0642 30.7811 175.6837 33 V 3.5857 8.1786 127.6917 63.0049 32.8072 175.5629 34 G 3.8967 9.4609 115.9302 46.5401 0.0000 171.9166 35 E 5.2362 8.7361 118.5741 53.4660 33.3894 174.9587 36 V 4.6781 8.5269 126.5133 61.3294 33.9713 174.1802 37 I 4.5395 8.9081 129.7006 59.6403 39.1770 174.7570 38 L 4.8051 9.4072 131.9487 54.2282 42.8161 175.0761 39 L 5.2239 9.0337 129.2921 53.5596 45.5209 174.5802 40 H 4.8491 8.8846 123.5061 54.3926 33.1346 172.1877 41 V 4.1166 8.0401 126.3377 61.5524 32.1759 175.5656 42 I 3.5681 8.2197 130.7953 61.2805 37.9718 175.3036 43 D 4.7813 8.5558 127.2616 53.6235 41.5711 175.8366 44 E 4.2635 9.4642 129.0279 59.5101 29.6643 178.9113 45 G 3.7709 8.1863 105.0709 48.0510 0.0000 175.0718 46 T 4.2201 8.0373 116.2354 65.0671 68.8729 174.3502 47 L 4.4277 7.6095 121.1875 54.9721 41.4109 178.0936 48 E 4.1242 7.2124 118.8833 59.2799 30.1539 179.4627 49 E 4.4281 7.9023 117.3145 57.0586 29.1916 176.7422 50 L 4.4707 7.6872 119.0283 56.1655 42.8203 176.8792 51 M 4.7175 7.9059 115.5666 52.4601 31.5415 172.8535 52 D 4.5135 7.7001 119.5385 54.8706 47.3800 176.2287 *65 L 4.0309 7.6570 117.0203 54.4465 42.6243 175.7314 66 K 4.4290 8.0183 121.4790 54.5724 34.2403 176.9167 67 D 4.3848 8.9889 119.3569 57.4853 39.3649 180.1918 68 I 3.0093 8.5755 120.0083 61.9309 38.2509 176.6570 69 K 3.9679 7.7726 121.4895 59.8997 32.1161 177.8913 70 E 4.4510 9.1748 117.1562 57.8232 29.9406 178.3046 71 K 4.2440 7.6051 119.0271 58.4053 31.8816 177.6824 72 L 4.4534 8.3077 119.9442 54.5786 41.6460 178.2106 73 K 4.2836 8.0712 116.8055 58.5100 32.0998 178.0626 74 E 4.2482 7.8675 120.5734 58.3910 29.5348 178.0620 75 E 3.8596 7.9202 119.8000 59.5934 29.7516 178.2542 76 A 3.9602 7.9280 120.2634 54.7919 18.2671 178.8821 77 S 4.0523 7.9942 110.7257 62.4867 62.8511 176.2432 78 R 3.4773 8.4597 118.4264 60.8458 29.6379 177.8243 79 K 3.9880 8.0894 118.6221 59.2074 32.1152 179.0511 80 L 4.1908 7.4418 119.4122 57.4263 42.4269 177.8821 81 Q 4.2262 8.4768 119.3463 57.7501 28.9020 177.3228 82 E 3.9779 8.0872 118.8595 59.3575 29.9128 178.5056 83 K 4.3091 8.1903 116.0472 57.2221 32.3586 178.8793 84 A 3.9264 7.6950 122.0865 55.2968 18.4644 179.6545 85 E 3.9014 8.0448 116.0706 59.0417 29.4847 178.7649 86 E 3.8322 8.2217 119.2611 59.5816 29.5298 178.9409 87 V 3.1156 7.7719 117.7446 65.7026 31.4888 177.7734 88 K 3.5628 8.0298 119.6498 59.8457 31.7366 178.4273 89 R 3.9721 8.2361 116.3383 58.6569 29.4068 178.5444 90 A 4.3372 8.2975 122.3918 54.2672 18.3024 178.7594 91 F 5.0428 8.7935 114.2350 56.6311 39.3583 175.9541 92 R 3.8507 8.9634 117.0912 57.0003 28.3398 175.3157 93 A 5.4106 7.9149 118.2110 50.5841 19.6328 178.9019 94 K 4.1591 8.9147 121.1384 59.2519 32.7166 177.1624 95 N 5.2865 8.2864 116.7328 51.2374 42.1461 173.8296 96 V 5.0563 8.3177 120.3990 60.0333 34.8523 174.6558 97 R 4.8238 8.7373 121.6144 54.8974 33.7049 173.8635 98 T 5.2223 8.5418 114.0999 60.1306 71.8821 173.3522 99 I 4.7393 8.5678 122.5150 59.7898 41.5121 174.2733 100 I 5.0075 8.4688 126.2977 59.7891 39.8569 174.9585 101 R 4.7633 8.3967 122.7458 54.7701 35.3097 173.8468 102 F 4.9297 8.9259 119.2510 56.0780 40.8474 175.9441 103 G 3.6790 7.8189 111.7234 45.7017 0.0000 170.7399 104 I 3.9952 7.3902 120.4868 60.0646 37.6314 175.0604 105 P 4.0973 0.0000 0.0000 65.6765 31.2656 178.5116 106 W 4.2265 8.0749 114.4313 59.4334 27.6873 177.2978 107 D 3.7437 6.9883 118.3316 56.1464 40.8240 177.9270 108 E 3.9519 7.4890 118.6986 59.3586 29.5083 178.6614 109 I 3.6279 7.7618 120.0014 64.8588 36.9037 178.5903 110 V 3.6516 7.8715 118.1929 65.6282 31.2319 178.3656 111 K 4.0176 8.0589 118.7755 59.4563 32.1501 179.6187 112 V 3.7409 7.7075 118.2931 63.9888 31.6714 177.8503 113 A 3.9310 8.2664 122.3577 55.2136 18.0120 178.7294 114 E 3.8732 7.5592 115.7316 60.2157 29.7643 178.6461 115 E 4.0614 8.3114 118.2855 59.4978 29.3641 178.8138 116 E 4.0549 8.8054 119.5406 56.6390 30.6720 176.2045 117 N 4.1322 7.7177 116.5618 54.5657 37.4939 174.2640 118 V 4.0277 7.6118 111.1527 61.3007 32.9374 177.2362 119 S 4.5140 9.3139 118.4492 60.5577 64.2542 174.6314 120 L 4.7274 7.6692 122.3340 53.5715 45.6374 174.3271 121 I 4.5610 8.8816 127.8605 60.2337 39.0966 173.9915 122 I 5.2110 9.1220 130.6297 59.1062 40.7166 174.0532 123 L 4.8608 8.8491 128.8227 53.0058 44.1950 174.0060 124 P 4.4546 0.0000 0.0000 63.3432 31.8416 175.1238 125 S 4.0069 9.3818 117.4131 61.0023 61.5810 176.2988 126 R 4.2245 7.9274 119.5597 57.4368 30.8021 176.9644 127 G 4.0053 7.0170 104.9475 45.2182 0.0000 177.4088 128 K 4.1333 6.1971 113.7346 55.0910 34.0029 175.7255 129 L 4.7422 7.6106 119.7932 53.0620 45.5049 177.6755 130 S 4.6144 8.6447 120.5795 59.0861 62.4082 173.7273 131 L 4.3730 7.5925 123.3467 54.7282 41.7929 179.9259 132 S 4.4650 9.0666 124.3051 58.1811 63.0477 173.3495 133 H 4.3643 8.9066 123.3447 57.6627 28.2759 175.7335 134 E 4.2345 7.5124 117.7440 57.2083 29.9075 176.3298 135 F 4.1127 8.2382 122.5271 57.4620 39.9596 174.2507 136 L 4.6947 7.6278 127.4824 52.4383 43.3408 176.5377 137 G 4.2833 8.7384 113.3162 45.7932 0.0000 174.1411 138 S 4.0916 8.7798 113.3615 61.3240 62.4415 176.2005 139 T 4.0879 7.8680 111.6436 64.5418 68.7779 175.8104 140 V 3.5141 8.0905 120.9278 66.1736 31.0997 177.4168 141 M 3.7559 7.7034 119.0443 58.4511 32.3341 178.9999 142 R 3.8167 7.5034 117.8735 58.6202 30.6039 178.6966 143 V 3.6423 7.9537 118.4268 66.2834 31.1671 177.6666 144 L 3.9283 7.8571 117.5439 58.0217 41.6450 179.2676 145 R 4.2471 7.6194 114.7730 57.0137 30.5695 177.9965 146 K 4.2357 7.6687 116.4585 56.3360 33.1446 176.3474 147 T 4.4678 6.9597 112.5836 60.8938 68.4480 174.4719 148 K 4.3457 8.4505 123.9286 56.5346 32.9143 176.9917 149 K 4.5278 7.5259 118.4617 54.1370 33.7957 174.5143 150 P 4.5016 0.0000 0.0000 62.7264 32.3904 175.6066 151 V 5.4482 8.3432 122.9344 60.2374 34.5587 174.5189 152 L 4.7408 8.3869 127.5918 53.4497 44.8129 174.8723 153 I 4.8839 8.4726 127.5112 60.5278 38.6446 175.4848 154 I 4.5083 8.6769 126.7233 60.7778 40.3940 174.0258 155 K 4.2075 9.2260 125.8795 56.7475 30.4250 178.0221 156 E 4.7835 9.0415 124.0123 54.1636 33.3849 174.0175 157 V 3.8079 9.4221 121.8338 60.9772 31.8609 175.3331 158 D 4.3913 8.5432 120.1674 54.1680 40.7755 175.2678 159 E 3.5613 8.1901 119.8328 59.9905 30.0899 176.6173 160 N 4.3787 7.9607 117.2774 53.1954 37.8594 174.8597 161 E 4.2240 8.5194 120.2892 56.4120 29.7682 174.9505 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 4 M 8.30 4.43 0.00 1.85 2.12 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 5 F 7.95 4.84 0.00 3.11 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 6 R 8.67 3.96 0.00 1.81 2.03 0.00 3.09 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.77 0.00 7 K 8.43 5.10 0.00 1.84 1.63 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.35 1.38 7.81 8 V 9.34 4.94 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 0.71 0.00 0.00 0.93 0.00 0.00 9 L 8.89 5.11 0.00 1.81 1.52 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 10 F 9.07 5.26 0.00 3.04 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 11 P 0.00 5.00 0.00 1.74 1.80 0.00 3.23 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.97 0.00 12 T 8.76 4.24 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 0.77 0.00 0.00 13 D 8.03 4.45 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.18 3.75 0.00 3.34 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 15 S 7.83 5.03 0.00 3.89 4.77 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 16 E 8.95 4.22 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 17 G 8.49 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 0.00 0.00 0.00 0.00 18 A 7.59 4.18 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.21 4.38 0.00 3.32 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 20 R 8.89 4.12 0.00 1.91 2.07 0.00 3.19 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 21 A 9.08 3.99 1.56 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 0.00 0.00 22 V 7.76 3.79 1.74 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 0.85 0.00 0.00 0.93 0.00 0.00 23 E 8.38 4.02 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 24 V 8.54 3.81 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.01 0.00 0.00 25 F 8.49 3.84 0.00 3.38 3.32 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 0.00 26 E 8.28 4.46 0.00 2.16 2.33 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 2.39 2.31 0.00 27 K 7.86 4.11 0.00 2.00 1.84 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.25 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.53 7.81 28 R 7.64 3.96 0.00 1.60 1.90 0.00 3.21 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.92 0.00 29 N 7.40 4.29 0.00 1.44 1.56 0.00 0.00 7.09 6.61 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 30 K 8.31 4.51 0.00 1.67 1.75 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.45 7.81 31 M 8.04 4.32 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.53 0.00 32 E 8.53 4.53 0.00 2.02 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 2.39 2.34 0.00 33 V 8.18 3.59 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 0.86 0.00 0.00 0.63 0.00 0.00 34 G 9.46 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 0.00 0.00 0.00 35 E 8.74 5.24 0.00 2.02 1.79 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 2.20 2.22 0.00 36 V 8.53 4.68 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 0.71 0.00 0.00 0.93 0.00 0.00 37 I 8.91 4.54 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 1.12 0.57 0.92 0.00 0.00 38 L 9.41 4.81 0.00 1.72 1.56 0.91 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 L 9.03 5.22 0.00 1.70 1.42 0.92 0.67 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 40 H 8.88 4.85 0.00 2.86 2.96 0.00 5.63 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.04 4.12 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 0.70 0.00 0.00 0.83 0.00 0.00 42 I 8.22 3.57 0.72 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.58 0.86 0.00 0.00 43 D 8.56 4.78 0.00 2.57 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 9.46 4.26 0.00 2.20 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 2.41 0.00 45 G 8.19 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 46 T 8.04 4.22 4.41 0.00 0.00 0.00 0.00 0.00 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 47 L 7.61 4.43 0.00 1.85 1.71 1.05 0.75 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 48 E 7.21 4.12 0.00 2.06 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 2.64 2.44 0.00 49 E 7.90 4.43 0.00 1.97 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 2.39 2.31 0.00 50 L 7.69 4.47 0.00 1.60 1.65 0.94 0.89 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 51 M 7.91 4.72 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 52 D 7.70 4.51 0.00 2.85 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 *65 L 7.66 4.03 0.00 1.66 1.65 0.92 0.83 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 66 K 8.02 4.43 0.00 1.73 1.68 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.34 7.81 67 D 8.99 4.38 0.00 2.88 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.58 3.01 1.86 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 1.41 1.29 0.95 0.00 0.00 69 K 7.77 3.97 0.00 1.90 1.90 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.21 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.55 7.81 70 E 9.17 4.45 0.00 2.29 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 0.00 2.13 1.98 0.00 71 K 7.61 4.24 0.00 2.16 1.91 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.46 7.81 72 L 8.31 4.45 0.00 2.04 1.71 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.07 4.28 0.00 2.13 2.54 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.71 1.58 7.81 74 E 7.87 4.25 0.00 2.17 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 2.31 2.57 0.00 75 E 7.92 3.86 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 76 A 7.93 3.96 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 77 S 7.99 4.05 0.00 3.94 3.96 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 78 R 8.46 3.48 0.00 2.06 1.86 0.00 3.12 0.00 0.00 3.14 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 79 K 8.09 3.99 0.00 1.01 1.50 0.00 0.85 0.00 0.00 1.26 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.17 0.77 7.81 80 L 7.44 4.19 0.00 2.01 1.94 1.02 0.81 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 81 Q 8.48 4.23 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 82 E 8.09 3.98 0.00 2.11 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 2.27 2.44 0.00 83 K 8.19 4.31 0.00 2.09 1.87 0.00 1.75 0.00 0.00 1.97 0.00 0.00 3.14 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.63 1.65 7.81 84 A 7.69 3.93 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 85 E 8.04 3.90 0.00 1.98 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 2.39 2.30 0.00 86 E 8.22 3.83 0.00 1.98 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 2.40 2.37 0.00 87 V 7.77 3.12 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 -0.31 0.00 0.00 0.54 0.00 0.00 88 K 8.03 3.56 0.00 1.87 1.90 0.00 1.74 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.48 7.81 89 R 8.24 3.97 0.00 2.11 2.28 0.00 2.88 0.00 0.00 3.19 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.67 0.00 90 A 8.30 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 91 F 8.79 5.04 0.00 2.85 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.96 3.85 0.00 2.02 2.03 0.00 3.15 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 93 A 7.91 5.41 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 94 K 8.91 4.16 0.00 1.75 1.89 0.00 1.73 0.00 0.00 2.09 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.45 7.81 95 N 8.29 5.29 0.00 2.64 2.66 0.00 0.00 6.62 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 96 V 8.32 5.06 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 0.67 0.00 0.00 0.93 0.00 0.00 97 R 8.74 4.82 0.00 1.87 1.73 0.00 3.05 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 98 T 8.54 5.22 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 1.27 0.00 0.00 99 I 8.57 4.74 1.86 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 1.23 0.67 0.90 0.00 0.00 100 I 8.47 5.01 1.91 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 1.38 0.50 0.84 0.00 0.00 101 R 8.40 4.76 0.00 1.57 1.72 0.00 3.25 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 1.48 1.68 0.00 102 F 8.93 4.93 0.00 2.89 3.43 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 0.00 103 G 7.82 3.68 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 0.00 0.00 0.00 104 I 7.39 4.00 1.68 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.35 0.57 0.00 0.00 105 P 0.00 4.10 0.00 2.17 2.02 0.00 3.57 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.07 0.00 106 W 8.07 4.23 0.00 3.55 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 0.00 107 D 6.99 3.74 0.00 1.58 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 E 7.49 3.95 0.00 1.99 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 2.24 2.23 0.00 109 I 7.76 3.63 2.08 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.89 0.91 0.00 0.00 110 V 7.87 3.65 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 1.13 0.00 0.00 1.21 0.00 0.00 111 K 8.06 4.02 0.00 2.06 1.80 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.44 7.81 112 V 7.71 3.74 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 1.02 0.00 0.00 0.92 0.00 0.00 113 A 8.27 3.93 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 0.00 114 E 7.56 3.87 0.00 2.16 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 0.00 2.35 2.44 0.00 115 E 8.31 4.06 0.00 2.30 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 2.35 0.00 116 E 8.81 4.05 0.00 1.98 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 0.00 2.50 2.46 0.00 117 N 7.72 4.13 0.00 2.80 2.86 0.00 0.00 7.19 8.39 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 0.00 118 V 7.61 4.03 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 0.76 0.00 0.00 1.01 0.00 0.00 119 S 9.31 4.51 0.00 3.85 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 0.00 120 L 7.67 4.73 0.00 1.87 1.66 1.07 1.22 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 0.00 121 I 8.88 4.56 1.90 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 1.11 1.49 0.94 0.00 0.00 122 I 9.12 5.21 1.96 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.45 0.97 0.00 0.00 123 L 8.85 4.86 0.00 1.63 1.47 0.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.45 0.00 2.11 2.14 0.00 3.53 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.79 0.00 125 S 9.38 4.01 0.00 3.98 3.81 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 0.00 126 R 7.93 4.22 0.00 2.02 2.07 0.00 3.41 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.69 0.00 127 G 7.02 4.01 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 0.00 0.00 0.00 128 K 6.20 4.13 0.00 1.72 1.63 0.00 1.89 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.78 7.81 129 L 7.61 4.74 0.00 1.44 1.46 0.88 0.71 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 0.00 130 S 8.64 4.61 0.00 3.86 3.88 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 0.00 131 L 7.59 4.37 0.00 1.53 0.92 0.84 0.62 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 0.00 132 S 9.07 4.47 0.00 3.89 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 0.00 133 H 8.91 4.36 0.00 3.33 3.47 0.00 5.57 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 7.51 4.23 0.00 2.01 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 2.04 2.10 0.00 135 F 8.24 4.11 0.00 3.03 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 0.00 136 L 7.63 4.69 0.00 1.44 1.46 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.74 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 0.00 0.00 0.00 0.00 138 S 8.78 4.09 0.00 3.93 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 0.00 139 T 7.87 4.09 4.35 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 1.45 0.00 0.00 140 V 8.09 3.51 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 1.13 0.00 0.00 1.00 0.00 0.00 141 M 7.70 3.76 0.00 1.92 2.17 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 142 R 7.50 3.82 0.00 1.31 0.92 0.00 2.32 0.00 0.00 2.66 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.67 0.00 143 V 7.95 3.64 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.18 0.00 0.00 144 L 7.86 3.93 0.00 1.86 1.70 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 145 R 7.62 4.25 0.00 1.62 1.87 0.00 3.05 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 146 K 7.67 4.24 0.00 1.77 1.95 0.00 1.80 0.00 0.00 1.54 0.00 0.00 2.67 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.94 0.92 7.81 147 T 6.96 4.47 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 1.33 0.00 0.00 148 K 8.45 4.35 0.00 1.80 1.84 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.40 7.81 149 K 7.53 4.53 0.00 1.80 1.75 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.57 7.81 150 P 0.00 4.50 0.00 2.12 1.99 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 151 V 8.34 5.45 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 0.88 0.00 0.00 0.98 0.00 0.00 152 L 8.39 4.74 0.00 1.87 1.59 1.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 153 I 8.47 4.88 1.90 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 1.36 0.97 0.94 0.00 0.00 154 I 8.68 4.51 2.02 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 1.34 0.89 1.06 0.00 0.00 155 K 9.23 4.21 0.00 1.77 1.41 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 156 E 9.04 4.78 0.00 1.90 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 2.21 2.23 0.00 157 V 9.42 3.81 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 0.72 0.00 0.00 0.94 0.00 0.00 158 D 8.54 4.39 0.00 2.63 2.64 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 0.00 159 E 8.19 3.56 0.00 1.94 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 2.31 2.41 0.00 160 N 7.96 4.38 0.00 2.87 2.85 0.00 0.00 5.75 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 0.00 161 E 8.52 4.22 0.00 2.02 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 2.18 2.53 0.00 * Residues marked with a * may have inaccurate shift predictions.