NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.0138 8.5298 119.6763 55.6036 33.2407 174.5441 2 N 4.3950 7.1813 120.5386 49.8741 41.3099 173.6649 3 I 3.5864 9.1446 120.6985 64.2363 38.1486 178.8331 4 F 3.9462 8.2010 117.9915 60.6831 38.5960 177.3864 5 E 3.9691 8.7268 118.3544 59.3348 29.1695 179.1059 6 M 3.6292 8.0597 118.6350 58.6729 32.2619 178.4107 7 L 3.9280 7.9038 119.0260 57.5548 41.6918 179.5021 8 R 3.6206 8.3122 119.0176 59.3057 29.7574 178.7013 9 I 3.7179 7.5261 118.5369 64.6789 37.2736 178.0133 10 D 4.5726 8.1614 118.2143 56.6579 40.7084 177.7368 11 E 4.5191 8.4586 117.7774 55.7403 30.9061 177.1564 12 G 3.7644 8.4250 108.1306 44.3837 0.0000 171.6205 13 L 4.8490 8.0252 119.4240 53.4103 44.4159 175.7973 14 R 4.6481 8.7880 124.7117 54.6334 33.8654 175.8892 15 L 4.5709 8.7917 121.9763 54.9599 43.0272 176.0324 16 K 5.1454 7.8409 117.9237 53.9704 35.2768 176.0639 17 I 4.1562 8.1399 124.1804 62.6286 37.7273 174.9144 18 Y 5.0922 9.0517 123.8117 55.5294 42.2258 173.7184 19 K 4.8684 8.7241 119.2588 55.0729 33.8694 177.3772 20 D 4.8943 8.7491 125.0944 52.7514 41.1513 176.7973 21 T 3.9130 8.5300 108.0501 64.5910 68.7230 174.6030 22 E 4.0557 8.3099 119.3592 55.8923 29.8695 176.5770 23 G 3.6383 7.9613 107.1784 45.5856 0.0000 172.7022 24 Y 4.7428 7.8352 117.6100 56.0722 40.1103 174.9377 25 Y 4.7311 8.3225 121.1455 59.1223 39.0643 175.5473 26 T 5.0885 9.0279 119.8032 62.4214 73.9087 172.3012 27 I 4.7974 8.6634 122.0050 59.8936 42.3243 176.5171 28 G 3.8833 9.3491 114.8269 47.3384 0.0000 176.7076 29 I 5.0447 7.8244 118.5663 59.3341 35.5597 174.9344 30 G 4.0718 8.2966 112.6497 46.6543 0.0000 171.6305 31 H 4.4670 8.3644 121.2715 54.0496 29.0532 173.8482 32 L 4.2958 8.0454 129.4164 55.1352 42.5723 176.5264 33 L 4.2544 8.5936 126.7278 56.7729 42.2690 176.7584 34 T 4.1781 7.2151 108.0456 61.6860 69.6491 172.6669 35 K 3.6795 8.3088 123.5114 56.1261 32.6622 177.3162 36 S 4.2603 7.8817 115.3597 57.6024 62.6442 172.1949 37 P 4.5135 0.0000 0.0000 63.6688 31.5974 176.3566 38 S 4.5277 8.2761 115.7565 57.4186 63.1256 174.0460 39 L 3.0932 8.4943 131.3090 58.0410 41.8918 178.4072 40 N 4.2335 8.0846 115.7685 56.1937 38.5184 177.0044 41 A 3.9468 7.9799 121.8354 55.0581 18.4033 179.5217 42 A 3.9297 7.8564 119.2715 55.3315 18.3746 180.0544 43 K 3.8491 8.2516 117.3613 59.4460 32.0309 179.5882 44 S 4.0483 8.2006 113.5524 61.3561 62.2845 176.0242 45 E 3.9319 8.2016 121.2574 59.2452 29.2031 178.9551 46 L 3.9384 8.1113 120.4762 58.4732 42.0777 178.7213 47 D 4.7780 8.1917 120.0947 56.7333 40.5132 178.8654 48 K 3.9092 7.8983 118.8605 59.3705 32.2949 178.4211 49 A 4.1273 8.1681 120.4015 55.2554 18.4162 179.2254 50 I 4.0373 7.8576 116.9122 61.7036 37.4230 177.0988 51 G 3.8864 9.9890 107.3511 45.3020 0.0000 172.8188 52 R 4.4003 7.3585 113.7218 54.6137 31.8438 173.6685 53 N 4.8123 8.5754 117.7335 53.5479 37.9132 174.1153 54 T 4.1917 9.3435 117.5835 61.1663 70.0889 174.8029 55 N 3.8670 9.1237 118.9793 54.5812 37.5012 174.5127 56 G 3.9472 8.1505 102.9097 45.2434 0.0000 173.2924 57 V 5.0468 7.4965 118.7933 60.8423 34.2442 174.5897 58 I 4.9757 8.6343 120.1643 59.2732 41.1406 174.6467 59 T 4.3587 8.8229 113.3102 60.4893 70.5941 175.9967 60 K 3.9094 8.6929 122.1305 59.7800 32.1529 178.2714 61 D 4.3817 8.1006 118.6058 57.5009 40.7853 178.5306 62 E 3.9773 8.2576 118.7565 59.3065 29.4866 179.1635 63 A 4.0579 8.2967 121.0140 55.4705 18.3932 179.6241 64 E 4.1880 8.6189 117.2620 59.1950 29.4608 179.6168 65 K 3.9786 8.2039 119.8820 59.6120 32.2741 178.8403 66 L 4.0431 7.9974 119.3123 57.6958 41.4079 179.3216 67 F 4.6946 8.5621 120.5353 61.6238 39.4312 176.8170 68 N 4.4973 8.6068 116.2312 56.6777 38.3281 177.4037 69 Q 4.0642 8.2264 119.2559 59.1429 28.8108 178.7128 70 D 4.3692 8.6084 120.2711 57.1745 40.8540 179.0273 71 V 3.5724 8.1638 119.1953 65.9293 31.4563 177.3925 72 D 4.3008 8.1418 117.5508 57.4842 40.9586 178.1189 73 A 3.9683 8.3820 121.2273 55.0776 18.3600 179.4791 74 A 3.8710 8.0852 119.1629 55.2113 18.5194 179.9876 75 V 3.3036 7.7796 116.7134 66.1282 31.7279 178.0063 76 R 3.9258 8.3463 118.9609 59.4880 29.6108 178.6578 77 G 3.5485 8.1075 104.5851 47.7205 0.0000 175.3620 78 I 3.7829 7.6304 122.3383 64.2555 36.9356 178.6581 79 L 3.9871 7.5303 117.9724 57.3096 41.4812 178.9704 80 R 4.2885 7.6062 115.3024 55.5932 30.6658 175.6226 81 N 4.6884 7.4841 118.6572 51.8594 39.8461 175.5872 82 A 3.9957 8.6617 127.7753 54.9048 19.0615 179.0286 83 K 4.1691 8.1099 116.4917 59.1244 32.5465 179.1733 84 L 4.1228 8.3928 119.3243 57.1633 41.5730 179.0943 85 K 3.9124 8.3550 120.3124 59.1838 31.9355 176.9494 86 P 4.3085 0.0000 0.0000 65.8480 31.3377 178.2256 87 V 3.7419 7.3140 117.0568 65.9321 31.5352 177.1470 88 Y 4.0924 8.2342 119.3617 61.1712 38.4148 178.0371 89 D 4.4863 8.5055 118.6981 57.2711 40.9779 178.5407 90 S 4.3452 7.7720 112.8387 59.2705 63.5575 174.4376 91 L 4.5483 6.8890 122.5189 53.4777 42.8428 176.5240 92 D 4.5847 8.2242 120.6988 52.7895 41.8152 177.1872 93 A 3.8537 8.3283 121.2902 55.1478 18.3021 180.1721 94 V 3.0249 7.5096 116.1978 66.1634 31.6817 178.4686 95 R 3.5644 8.0355 117.7457 58.8725 29.7511 179.1430 96 R 3.7388 8.0253 118.0947 59.2243 29.9289 178.7733 97 A 4.0065 7.7678 119.6531 55.1566 18.3814 179.4992 98 A 3.6351 7.3244 118.7055 55.0337 18.2438 179.6548 99 L 4.1563 7.8257 118.8402 58.3832 42.2087 179.2332 100 I 3.7370 8.0451 119.8940 64.2420 37.0542 177.6479 101 N 4.2544 8.3759 118.1235 57.1709 38.7188 176.6007 102 M 3.8722 7.9385 119.7231 58.4474 31.9821 178.9661 103 V 3.5267 7.8086 118.1941 65.8348 31.4502 177.6461 104 F 3.9740 8.4619 119.7677 61.4174 39.2907 176.6922 105 Q 4.3055 8.3099 117.9307 58.8143 29.1468 176.9525 106 M 4.5502 8.4834 114.6405 53.8104 32.7709 176.9195 107 G 4.0114 7.9513 106.0661 45.9618 0.0000 173.8888 108 E 3.8137 8.7469 120.4333 59.8015 29.2886 179.4451 109 T 3.9515 7.9312 113.7845 66.5491 68.7323 176.2932 110 G 3.8464 8.0406 106.9391 48.0809 0.0000 175.7937 111 V 3.3581 7.7997 121.2990 65.2029 31.2874 177.8803 112 A 4.1855 8.2093 119.9917 54.7370 18.2393 179.2605 113 G 3.7679 7.8703 102.6576 46.3804 0.0000 174.1845 114 F 4.4710 8.4757 122.2913 56.8186 38.5289 176.7937 115 T 3.9183 8.1029 121.4225 67.2549 68.7122 175.9154 116 N 4.3376 8.0843 117.3179 56.3955 38.5960 177.5536 117 S 4.1436 8.0812 116.0365 61.6251 62.9429 176.4961 118 L 3.9290 8.2349 121.9061 57.7898 41.3694 179.6590 119 R 3.8400 7.9739 118.5002 59.7516 30.0517 178.4574 120 M 4.2385 7.9170 119.8056 57.7390 31.9121 178.7912 121 L 3.9835 8.1001 119.2951 57.9018 41.6191 179.2922 122 Q 3.9941 8.0522 118.4121 59.1510 29.2644 177.7334 123 Q 4.0258 8.0602 117.2537 55.3863 28.8406 176.2245 124 K 2.0000 7.0880 118.3051 57.1079 30.2698 177.5967 125 R 4.0999 6.9981 118.5921 54.0970 27.5957 176.1724 126 W 4.6502 7.4051 123.0198 60.0178 29.4468 177.4489 127 D 4.4630 8.1747 116.6937 57.4075 40.4135 178.2369 128 E 4.1023 8.1418 117.2909 59.3012 29.7752 178.6932 129 A 4.2025 8.4389 120.9350 55.0743 18.4927 180.4133 130 A 4.1793 8.0344 116.1153 53.0851 18.3897 178.7593 *132 N 4.6998 8.1215 121.0290 55.0860 40.7058 176.5506 133 L 4.3380 8.3453 117.0920 57.8190 41.8053 178.3058 134 A 3.8788 7.5148 118.5220 53.7498 18.9122 178.1886 135 K 4.3749 7.6089 118.1504 54.2771 30.8641 176.7068 136 S 4.7189 7.4006 114.7597 55.8586 67.5565 175.1448 137 R 3.9560 8.7685 123.2094 59.4218 29.8326 178.2086 138 W 4.6041 8.6624 127.7053 61.1256 30.4477 177.0687 139 Y 3.4433 8.3841 118.8156 60.7316 38.0721 177.8261 140 N 4.3562 8.1558 116.0517 56.3965 38.6900 177.0645 141 Q 4.2628 8.3923 119.2311 57.3320 30.5140 176.5656 142 T 4.5664 7.7142 109.2116 58.5870 68.5823 172.5796 143 P 3.4801 0.0000 0.0000 65.7895 31.9516 178.5172 144 N 4.1647 7.7574 115.7809 55.9256 38.5745 177.2583 145 R 3.8386 7.7417 119.3650 59.3429 30.3433 178.1306 146 A 3.4152 7.7854 120.8256 54.8593 18.0388 179.6137 147 K 3.9750 8.1083 117.2759 59.7217 32.1085 179.7204 148 R 3.7750 7.7622 117.7164 59.2514 29.9804 179.3371 149 V 3.7813 8.0301 117.9724 66.1808 31.5625 178.1524 150 I 4.1743 8.5788 120.0446 64.8597 36.9061 178.5237 151 T 3.9634 8.3877 116.9466 66.8792 68.1729 176.8326 152 T 3.8503 7.9786 117.6560 66.7024 68.2515 176.7879 153 F 4.1597 7.8681 118.4235 60.4428 38.9842 177.4807 154 R 4.1761 8.4700 118.3049 59.2400 30.0417 177.8831 155 T 4.2519 7.9649 107.7325 60.8962 69.6163 175.4417 156 G 3.4871 7.7510 108.7797 46.1138 0.0000 172.7947 157 T 4.4470 7.3341 108.2073 59.3416 71.7798 173.2273 158 W 4.9980 8.3686 118.3253 56.8555 29.0396 178.1953 159 D 4.4008 8.2411 122.0779 57.7590 40.2796 178.9393 160 A 3.8140 8.1058 119.1328 53.9498 18.6433 177.0775 161 Y 4.7059 8.3067 112.2943 57.5843 39.8871 178.0039 162 K 4.0769 7.8066 118.8056 58.6881 32.2287 177.2307 163 N 4.7724 8.1654 114.9461 53.0527 39.0786 174.4008 164 L 4.3307 7.6198 122.1817 55.0611 41.9537 176.1475 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 1 M 8.53 4.01 0.00 0.51 1.43 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.57 0.00 2 N 7.18 4.40 0.00 3.08 2.78 0.00 0.00 5.74 6.72 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 3 I 9.14 3.59 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.82 0.74 0.00 0.00 4 F 8.20 3.95 0.00 3.29 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 5 E 8.73 3.97 0.00 1.77 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 0.00 2.30 2.43 0.00 6 M 8.06 3.63 0.00 1.97 1.68 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 2.11 0.00 7 L 7.90 3.93 0.00 1.86 1.44 0.35 0.41 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 8 R 8.31 3.62 0.00 1.96 2.15 0.00 2.98 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 9 I 7.53 3.72 2.20 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.77 1.06 0.00 0.00 10 D 8.16 4.57 0.00 2.74 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.46 4.52 0.00 1.89 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 2.34 2.42 0.00 12 G 8.43 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.03 4.85 0.00 1.45 1.45 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.79 4.65 0.00 1.50 1.62 0.00 2.67 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.24 0.00 15 L 8.79 4.57 0.00 1.62 1.91 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.84 5.15 0.00 1.67 1.74 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.46 7.81 17 I 8.14 4.16 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.63 0.93 0.00 0.00 18 Y 9.05 5.09 0.00 2.99 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 19 K 8.72 4.87 0.00 1.65 1.64 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.28 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.89 1.38 7.81 20 D 8.75 4.89 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 21 T 8.53 3.91 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 1.26 0.00 0.00 22 E 8.31 4.06 0.00 1.82 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 23 G 7.96 3.64 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 24 Y 7.84 4.74 0.00 3.13 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 25 Y 8.32 4.73 0.00 2.96 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 26 T 9.03 5.09 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 1.13 0.00 0.00 27 I 8.66 4.80 1.92 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 1.27 1.44 0.99 0.00 0.00 28 G 9.35 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 0.00 0.00 0.00 29 I 7.82 5.04 1.22 0.00 0.00 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 1.22 1.55 -0.01 0.00 0.00 30 G 8.30 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.36 4.47 0.00 3.36 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.05 4.30 0.00 1.55 1.41 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.59 4.25 0.00 1.86 1.71 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.22 4.18 4.24 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 1.31 0.00 0.00 35 K 8.31 3.68 0.00 1.46 1.18 0.00 1.52 0.00 0.00 1.13 0.00 0.00 2.45 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.30 0.93 7.81 36 S 7.88 4.26 0.00 3.85 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 37 P 0.00 4.51 0.00 2.29 2.20 0.00 3.86 0.00 0.00 3.64 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 38 S 8.28 4.53 0.00 3.96 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 39 L 8.49 3.09 0.00 1.58 1.51 0.34 0.60 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 40 N 8.08 4.23 0.00 2.74 2.82 0.00 0.00 7.02 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.98 3.95 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 42 A 7.86 3.93 1.16 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 0.00 0.00 0.00 0.00 0.00 43 K 8.25 3.85 0.00 1.87 1.83 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.50 7.81 44 S 8.20 4.05 0.00 3.87 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.20 3.93 0.00 2.18 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 0.00 2.50 2.62 0.00 46 L 8.11 3.94 0.00 1.82 1.84 0.94 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.19 4.78 0.00 2.86 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 48 K 7.90 3.91 0.00 1.76 2.09 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 49 A 8.17 4.13 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 50 I 7.86 4.04 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 1.67 0.87 0.92 0.00 0.00 51 G 9.99 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 0.00 0.00 0.00 52 R 7.36 4.40 0.00 1.96 2.00 0.00 2.97 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 53 N 8.58 4.81 0.00 2.70 2.81 0.00 0.00 6.94 7.70 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 54 T 9.34 4.19 4.48 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 1.31 0.00 0.00 55 N 9.12 3.87 0.00 2.80 2.87 0.00 0.00 7.03 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.15 3.95 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 0.00 57 V 7.50 5.05 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 0.89 0.00 0.00 0.95 0.00 0.00 58 I 8.63 4.98 2.01 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 1.46 0.88 0.93 0.00 0.00 59 T 8.82 4.36 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 1.22 0.00 0.00 60 K 8.69 3.91 0.00 1.85 1.86 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.54 7.81 61 D 8.10 4.38 0.00 2.74 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 62 E 8.26 3.98 0.00 2.28 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 2.34 2.34 0.00 63 A 8.30 4.06 1.41 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 0.00 0.00 0.00 64 E 8.62 4.19 0.00 2.21 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 2.46 2.51 0.00 65 K 8.20 3.98 0.00 1.97 2.00 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.51 7.81 66 L 8.00 4.04 0.00 1.97 1.67 0.83 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.56 4.69 0.00 3.25 3.41 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 0.00 68 N 8.61 4.50 0.00 3.00 2.93 0.00 0.00 7.10 8.43 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 69 Q 8.23 4.06 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 70 D 8.61 4.37 0.00 3.16 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 71 V 8.16 3.57 1.58 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 0.30 0.00 0.00 -0.06 0.00 0.00 72 D 8.14 4.30 0.00 3.00 2.84 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 73 A 8.38 3.97 1.36 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 0.00 0.00 74 A 8.09 3.87 1.42 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 0.00 0.00 0.00 75 V 7.78 3.30 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 0.87 0.00 0.00 0.95 0.00 0.00 76 R 8.35 3.93 0.00 1.94 2.08 0.00 3.13 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 77 G 8.11 3.55 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 0.00 0.00 0.00 78 I 7.63 3.78 1.66 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.97 0.52 0.00 0.00 79 L 7.53 3.99 0.00 1.66 1.68 0.85 0.72 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 80 R 7.61 4.29 0.00 1.77 1.95 0.00 3.12 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 81 N 7.48 4.69 0.00 2.95 2.78 0.00 0.00 6.95 8.84 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 82 A 8.66 4.00 1.31 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 0.00 0.00 83 K 8.11 4.17 0.00 1.98 1.87 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.53 7.81 84 L 8.39 4.12 0.00 1.82 1.71 0.89 0.74 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 85 K 8.35 3.91 0.00 2.09 1.88 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.50 7.81 86 P 0.00 4.31 0.00 2.29 2.20 0.00 3.79 0.00 0.00 3.61 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 87 V 7.31 3.74 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 1.05 0.00 0.00 1.03 0.00 0.00 88 Y 8.23 4.09 0.00 3.22 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 89 D 8.51 4.49 0.00 2.81 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 90 S 7.77 4.35 0.00 4.06 4.16 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 0.00 0.00 0.00 91 L 6.89 4.55 0.00 1.66 1.59 1.14 1.43 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 92 D 8.22 4.58 0.00 2.77 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 93 A 8.33 3.85 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 94 V 7.51 3.02 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 -0.16 0.00 0.00 0.61 0.00 0.00 95 R 8.04 3.56 0.00 1.82 1.97 0.00 2.60 0.00 0.00 2.61 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.47 0.00 96 R 8.03 3.74 0.00 1.81 1.68 0.00 2.81 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.44 0.00 97 A 7.77 4.01 1.51 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 0.00 0.00 98 A 7.32 3.64 0.13 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 0.00 0.00 0.00 99 L 7.83 4.16 0.00 2.11 2.06 1.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.05 3.74 2.02 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.78 0.89 0.00 0.00 101 N 8.38 4.25 0.00 2.86 3.04 0.00 0.00 7.25 8.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 M 7.94 3.87 0.00 1.61 2.05 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.06 0.00 103 V 7.81 3.53 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 1.10 0.00 0.00 0.89 0.00 0.00 104 F 8.46 3.97 0.00 3.16 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 0.00 105 Q 8.31 4.31 0.00 2.34 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.48 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 106 M 8.48 4.55 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 107 G 7.95 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 0.00 108 E 8.75 3.81 0.00 2.00 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 2.36 2.39 0.00 109 T 7.93 3.95 4.24 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 1.22 0.00 0.00 110 G 8.04 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.80 3.36 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 0.75 0.00 0.00 0.74 0.00 0.00 112 A 8.21 4.19 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.87 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 0.00 114 F 8.48 4.47 0.00 3.19 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 0.00 115 T 8.10 3.92 4.24 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 1.21 0.00 0.00 116 N 8.08 4.34 0.00 2.72 2.85 0.00 0.00 7.05 7.57 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 0.00 117 S 8.08 4.14 0.00 4.19 3.95 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 0.00 118 L 8.23 3.93 0.00 1.85 1.73 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 127 D 8.17 4.46 0.00 2.68 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 0.00 128 E 8.14 4.10 0.00 2.06 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 2.31 2.37 0.00 129 A 8.44 4.20 1.42 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 0.00 0.00 0.00 130 A 8.03 4.18 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.12 4.70 0.00 2.86 3.03 0.00 0.00 7.09 6.66 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 0.00 133 L 8.35 4.34 0.00 2.04 2.24 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.51 3.88 0.63 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 0.00 135 K 7.61 4.37 0.00 1.92 1.77 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.32 7.81 136 S 7.40 4.72 0.00 4.31 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 0.00 137 R 8.77 3.96 0.00 1.98 2.11 0.00 3.27 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 138 W 8.66 4.60 0.00 3.63 3.58 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 0.00 139 Y 8.38 3.44 0.00 3.05 3.18 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 0.00 140 N 8.16 4.36 0.00 2.83 2.91 0.00 0.00 7.15 7.83 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 0.00 141 Q 8.39 4.26 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.24 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 142 T 7.71 4.57 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 1.25 0.00 0.00 143 P 0.00 3.48 0.00 1.87 1.75 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.70 0.00 144 N 7.76 4.16 0.00 2.65 2.81 0.00 0.00 6.79 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 0.00 145 R 7.74 3.84 0.00 1.89 1.92 0.00 3.36 0.00 0.00 3.67 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.92 0.00 146 A 7.79 3.42 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.11 3.97 0.00 1.92 1.87 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.63 1.59 7.81 148 R 7.76 3.77 0.00 1.96 1.41 0.00 2.21 0.00 0.00 2.73 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.60 0.00 149 V 8.03 3.78 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 1.33 0.00 0.00 1.36 0.00 0.00 150 I 8.58 4.17 2.09 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.98 1.06 0.00 0.00 151 T 8.39 3.96 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 1.22 0.00 0.00 152 T 7.98 3.85 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 0.64 0.00 0.00 153 F 7.87 4.16 0.00 3.31 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 R 8.47 4.18 0.00 1.96 2.14 0.00 3.30 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 155 T 7.96 4.25 4.16 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 0.00 0.00 1.23 0.00 0.00 156 G 7.75 3.49 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 0.00 0.00 0.00 157 T 7.33 4.45 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 158 W 8.37 5.00 0.00 3.46 3.21 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 0.00 159 D 8.24 4.40 0.00 2.84 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 0.00 160 A 8.11 3.81 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 Y 8.31 4.71 0.00 3.21 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 0.00 162 K 7.81 4.08 0.00 1.69 1.92 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.88 1.62 7.81 163 N 8.17 4.77 0.00 2.68 2.79 0.00 0.00 6.86 7.78 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 0.00 164 L 7.62 4.33 0.00 1.81 1.56 0.91 1.11 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 * Residues marked with a * may have inaccurate shift predictions.