NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 P 4.4216 0.0000 0.0000 63.1413 31.5024 174.8333 16 T 4.2356 7.9440 123.4775 62.0789 71.8405 171.9697 17 L 4.9599 8.9663 125.4129 53.5981 44.1616 175.4993 18 V 4.5785 8.8208 119.5188 59.5795 35.6493 174.2948 19 D 4.9921 8.3294 121.4897 51.1167 42.6115 176.1772 20 E 3.9926 8.9077 116.2180 59.3521 28.9993 179.1348 21 A 4.1159 8.4108 120.8655 54.0196 18.8138 178.5839 22 T 4.4904 7.9315 106.0642 61.9587 70.1762 176.8775 23 V 3.7317 8.0201 123.1238 64.9100 31.4137 177.7652 24 D 4.4739 8.2412 119.1230 57.6312 40.8536 178.6597 25 D 4.4272 8.1480 118.5296 57.0355 40.6437 178.2901 26 F 4.0882 7.8684 120.7197 61.4686 39.6007 177.1313 27 I 3.7377 8.0660 118.8552 64.4241 36.8090 178.3758 28 A 3.9330 7.9639 121.2313 54.8622 18.2992 177.9479 29 H 4.9211 7.6896 110.7207 55.6171 29.0919 176.0900 30 S 3.8777 7.8057 117.5358 59.3878 62.8909 175.2966 31 G 3.9207 8.2895 106.4017 45.7538 0.0000 172.4607 32 K 4.7099 7.4947 117.0509 54.2699 37.0126 176.0293 33 I 3.9311 8.4521 122.7769 61.4191 38.3887 175.4770 34 V 4.6767 8.5898 126.9095 61.5873 33.6365 174.6462 35 V 4.6813 8.9622 128.3842 61.4096 33.2996 174.1251 36 L 4.9370 8.9869 129.6079 53.4263 43.5342 175.5767 37 F 5.3661 9.0566 127.4459 56.9808 41.0712 174.5565 38 F 4.0721 9.2469 126.8833 56.3469 39.4619 176.1725 39 R 3.5152 8.1445 125.6332 54.5293 30.6547 177.2001 40 G 3.9424 7.7925 104.7055 44.4302 0.0000 172.2343 41 D 4.4396 8.8447 117.9061 54.1734 41.9245 177.4262 42 A 4.2079 8.6447 128.1460 55.0766 18.9368 180.0894 43 V 3.7365 7.9684 114.8657 65.9686 31.9426 177.5064 44 R 3.7750 8.2229 117.7141 58.3326 30.7285 177.0661 45 F 5.2876 8.6338 114.9298 53.8853 39.6947 174.2133 46 P 4.5211 0.0000 0.0000 65.2246 31.4316 177.9824 47 E 4.1670 8.3268 116.1453 58.3963 29.5555 178.5125 48 A 4.2473 8.2749 122.3560 55.2736 18.4110 179.2878 49 A 4.0810 8.0986 118.8814 55.4497 18.2757 179.5997 50 D 4.3298 8.1688 117.6724 57.3789 40.9806 178.7011 51 L 3.8744 7.9355 120.2986 57.8569 41.9590 178.5103 52 A 3.5121 7.8289 119.9400 55.2688 18.3812 179.7780 53 V 3.6971 7.4878 109.6600 64.4270 31.8917 178.7736 54 V 3.8260 7.5997 110.9799 62.8522 31.4574 178.2536 55 L 3.8258 7.5268 120.8527 57.5845 41.9642 177.1699 56 P 4.2532 0.0000 0.0000 65.7962 30.9389 178.2238 57 E 3.9659 8.0151 117.5011 58.9673 29.8727 178.4196 58 L 4.1616 8.1477 120.6070 58.2336 42.0739 178.9593 59 I 3.7939 7.9340 119.8599 64.6309 36.8853 177.9581 60 N 4.4102 8.0193 115.8441 55.9213 38.8530 175.8727 61 A 4.1764 7.5314 119.6572 52.2981 20.3214 177.3983 62 F 4.7107 7.7707 115.7821 54.1760 39.3872 171.8111 63 P 4.3735 0.0000 0.0000 65.0892 31.6764 177.1993 64 G 4.0350 9.1942 112.3795 45.2110 0.0000 173.6077 65 R 4.3619 8.2358 118.0796 56.9074 31.1185 175.9655 66 L 6.0696 7.8660 115.2782 51.8800 45.9811 176.3720 67 V 4.6765 8.2121 118.7206 60.3020 34.6948 173.4928 68 A 5.4340 8.7728 123.4421 50.4947 22.3999 175.0163 69 A 4.7274 8.6797 120.5110 50.3657 23.2677 174.9961 70 E 4.6832 9.2525 122.7723 55.0865 31.5635 175.3357 71 V 4.1123 7.9496 127.2115 61.8496 32.2488 175.6615 72 A 4.0178 9.2453 130.4504 52.2779 19.1779 178.1435 73 A 4.2119 9.0737 124.4231 54.7255 18.3145 180.2402 74 E 4.0250 8.1201 113.7616 58.8121 30.1053 178.2023 75 A 4.4628 7.8956 120.9813 53.2247 18.5628 178.9139 76 E 4.1220 7.9233 117.5855 59.4687 29.4045 179.2923 77 R 3.9307 8.0185 116.9284 59.4207 30.6489 177.8763 78 G 3.8771 8.0526 105.8491 48.0243 0.0000 174.3625 79 L 4.5027 8.2282 120.1084 55.1176 41.6466 179.1465 *81 A 4.1797 8.1969 122.4196 52.3213 20.4770 179.9285 82 R 3.5332 7.9896 114.4535 59.1795 30.0204 177.3737 83 F 4.6942 8.3313 113.6701 57.1529 39.3947 175.9057 84 G 3.7319 7.6004 108.4534 46.3910 0.0000 173.5740 85 V 3.9899 7.6065 118.5859 60.8863 32.7527 175.1063 86 A 4.2407 8.5176 130.0424 54.0994 19.2605 177.1884 87 V 4.5138 7.2063 105.5373 60.0455 35.8996 173.8947 88 C 4.8939 7.8918 118.0161 57.0077 30.8560 172.4704 89 P 4.6548 0.0000 0.0000 63.4971 32.0539 175.5154 90 S 4.8044 9.1039 115.8253 57.4056 68.0178 172.7402 91 L 5.2722 8.6229 121.5064 53.2568 43.5349 175.6573 92 A 4.6745 9.3421 126.4000 50.2697 21.2120 175.4653 93 V 4.5578 8.3908 123.3541 61.6313 32.8804 175.1966 94 V 4.4212 8.9015 128.3322 61.0537 34.5158 173.7526 95 Q 4.6740 8.6671 129.1660 54.0663 29.7422 173.6846 96 P 4.4725 0.0000 0.0000 62.0319 32.1443 176.0101 97 E 4.1855 8.3827 118.1267 56.6197 30.1594 176.4562 98 R 4.4867 8.0042 119.4331 55.0813 33.1287 174.5728 99 T 4.2222 8.4582 122.2447 62.9739 68.5437 174.7921 100 L 4.1123 8.7030 127.7318 56.3083 42.0950 177.4893 101 G 4.0493 6.8898 106.4583 45.3817 0.0000 172.1022 102 V 4.2730 8.2085 118.8567 60.8772 33.9051 175.3027 103 I 4.1875 8.4446 128.1105 59.8045 36.7750 174.4996 104 A 4.5501 8.1621 127.6587 51.1971 20.6960 177.3166 105 K 3.9543 8.4192 121.3255 55.3702 31.3334 175.2068 106 I 4.2194 8.1326 119.7206 60.5080 38.2758 174.6809 107 Q 4.6381 8.4855 125.9872 53.4320 32.0530 175.3057 108 D 4.8246 8.0705 118.8049 52.4391 41.9114 176.9389 109 W 4.6694 9.0120 130.2044 61.0760 30.5386 178.1950 110 S 3.9592 8.2756 113.4719 61.5351 62.3161 176.2548 111 S 3.9334 8.4458 116.7919 61.0803 62.0158 175.6317 112 Y 4.0311 7.6418 119.3614 61.1565 37.5653 178.7588 113 L 3.7111 7.7039 119.4993 57.5724 41.5918 179.4770 114 A 3.9108 8.0771 120.9072 55.1888 18.0883 179.8148 115 Q 3.8710 7.9344 115.4404 59.1181 28.9192 178.5831 116 I 3.9363 7.8346 119.9058 64.3222 37.3775 178.2106 117 G 3.8840 8.3133 106.6044 47.7825 0.0000 176.1453 118 A 4.2933 7.9214 120.1225 52.5347 18.1640 179.1102 *120 L 4.1661 7.9479 122.5909 56.2535 44.0416 179.3157 121 A 3.9895 8.2746 120.5369 55.1489 18.0042 179.3207 122 E 3.8954 7.9768 116.8444 59.2189 29.7630 178.7239 123 V 3.7247 7.7225 116.9644 66.3395 31.6807 177.2742 124 D 4.6827 7.9396 116.7331 55.6759 42.0649 176.9554 125 Q 4.4978 8.3624 117.8561 53.4392 29.6498 173.1630 126 P 4.4503 0.0000 0.0000 62.7577 31.5724 177.2667 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 15 P 0.00 4.42 0.00 2.09 2.17 0.00 3.75 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 1.89 2.02 0.00 16 T 7.94 4.24 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 17 L 8.97 4.96 0.00 1.53 1.46 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.82 4.58 1.96 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 0.28 0.00 0.00 0.78 0.00 0.00 19 D 8.33 4.99 0.00 2.75 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 20 E 8.91 3.99 0.00 2.04 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 2.43 2.41 0.00 21 A 8.41 4.12 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 T 7.93 4.49 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 1.27 0.00 0.00 23 V 8.02 3.73 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.08 0.00 0.00 24 D 8.24 4.47 0.00 2.76 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 25 D 8.15 4.43 0.00 2.77 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 26 F 7.87 4.09 0.00 3.08 3.34 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 27 I 8.07 3.74 1.95 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 1.56 1.52 0.94 0.00 0.00 28 A 7.96 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 H 7.69 4.92 0.00 3.14 3.24 0.00 5.66 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.81 3.88 0.00 3.70 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 31 G 8.29 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.49 4.71 0.00 1.47 1.78 0.00 1.69 0.00 0.00 1.90 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.53 7.81 33 I 8.45 3.93 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.14 0.91 0.00 0.00 34 V 8.59 4.68 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 0.99 0.00 0.00 0.89 0.00 0.00 35 V 8.96 4.68 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 0.92 0.00 0.00 0.91 0.00 0.00 36 L 8.99 4.94 0.00 1.56 1.25 0.24 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 37 F 9.06 5.37 0.00 2.91 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 38 F 9.25 4.07 0.00 3.01 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 39 R 8.14 3.52 0.00 0.67 1.43 0.00 3.12 0.00 0.00 3.25 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 40 G 7.79 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.84 4.44 0.00 2.85 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.64 4.21 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 43 V 7.97 3.74 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 0.79 0.00 0.00 0.92 0.00 0.00 44 R 8.22 3.78 0.00 1.31 0.84 0.00 3.12 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 45 F 8.63 5.29 0.00 3.13 2.92 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 0.00 0.00 0.00 46 P 0.00 4.52 0.00 2.29 2.45 0.00 3.87 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.88 0.00 47 E 8.33 4.17 0.00 2.24 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 2.47 2.40 0.00 48 A 8.27 4.25 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.10 4.08 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.17 4.33 0.00 2.92 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 51 L 7.94 3.87 0.00 1.78 1.90 0.79 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.83 3.51 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.49 3.70 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 0.82 0.00 0.00 0.93 0.00 0.00 54 V 7.60 3.83 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 0.77 0.00 0.00 0.96 0.00 0.00 55 L 7.53 3.83 0.00 1.59 1.58 0.83 0.37 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 56 P 0.00 4.25 0.00 2.28 2.28 0.00 3.82 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 2.04 2.03 0.00 57 E 8.02 3.97 0.00 2.11 2.03 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 2.29 2.28 0.00 58 L 8.15 4.16 0.00 1.89 1.88 1.13 0.95 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 59 I 7.93 3.79 2.04 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 1.64 1.47 0.95 0.00 0.00 60 N 8.02 4.41 0.00 2.85 2.98 0.00 0.00 7.26 7.97 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 61 A 7.53 4.18 1.06 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 0.00 0.00 62 F 7.77 4.71 0.00 2.98 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.37 0.00 2.05 2.04 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 64 G 9.19 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 0.00 0.00 0.00 65 R 8.24 4.36 0.00 2.03 1.96 0.00 3.25 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 66 L 7.87 6.07 0.00 1.51 1.52 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 67 V 8.21 4.68 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 0.77 0.00 0.00 1.08 0.00 0.00 68 A 8.77 5.43 1.25 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 0.00 0.00 0.00 69 A 8.68 4.73 0.64 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 70 E 9.25 4.68 0.00 2.12 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 2.05 2.03 0.00 71 V 7.95 4.11 1.32 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 0.57 0.00 0.00 -0.16 0.00 0.00 72 A 9.25 4.02 1.25 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 0.00 0.00 0.00 73 A 9.07 4.21 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 74 E 8.12 4.03 0.00 2.13 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 0.00 2.26 2.31 0.00 75 A 7.90 4.46 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 76 E 7.92 4.12 0.00 2.17 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 2.43 2.60 0.00 77 R 8.02 3.93 0.00 1.79 1.98 0.00 3.25 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 78 G 8.05 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 79 L 8.23 4.50 0.00 2.20 2.28 1.03 0.83 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 *81 A 8.20 4.18 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 82 R 7.99 3.53 0.00 1.60 1.69 0.00 2.94 0.00 0.00 2.62 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.16 0.00 83 F 8.33 4.69 0.00 3.28 3.05 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 84 G 7.60 3.73 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 0.00 0.00 0.00 85 V 7.61 3.99 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.57 0.00 0.00 86 A 8.52 4.24 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 87 V 7.21 4.51 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 0.77 0.00 0.00 0.91 0.00 0.00 88 C 7.89 4.89 0.00 1.82 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 89 P 0.00 4.65 0.00 2.24 2.25 0.00 3.78 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 2.06 2.10 0.00 90 S 9.10 4.80 0.00 3.73 3.74 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 91 L 8.62 5.27 0.00 1.55 1.63 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 92 A 9.34 4.67 1.32 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 0.00 0.00 93 V 8.39 4.56 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 0.73 0.00 0.00 0.90 0.00 0.00 94 V 8.90 4.42 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 0.96 0.00 0.00 0.53 0.00 0.00 95 Q 8.67 4.67 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 96 P 0.00 4.47 0.00 2.04 2.08 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 97 E 8.38 4.19 0.00 2.07 1.96 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 2.26 2.28 0.00 98 R 8.00 4.49 0.00 1.72 1.77 0.00 3.22 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 99 T 8.46 4.22 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 1.27 0.00 0.00 100 L 8.70 4.11 0.00 1.63 1.72 0.92 0.92 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 0.00 101 G 6.89 4.05 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 0.00 102 V 8.21 4.27 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 0.90 0.00 0.00 0.94 0.00 0.00 103 I 8.44 4.19 2.04 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 1.53 0.79 0.88 0.00 0.00 104 A 8.16 4.55 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 0.00 105 K 8.42 3.95 0.00 1.94 1.90 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.42 7.81 106 I 8.13 4.22 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.75 0.95 0.00 0.00 107 Q 8.49 4.64 0.00 0.98 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.71 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 108 D 8.07 4.82 0.00 3.05 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 0.00 109 W 9.01 4.67 0.00 3.42 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 0.00 110 S 8.28 3.96 0.00 4.07 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 0.00 111 S 8.45 3.93 0.00 3.86 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 0.00 112 Y 7.64 4.03 0.00 3.11 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 0.00 113 L 7.70 3.71 0.00 1.51 1.44 0.22 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.08 3.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 7.93 3.87 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 116 I 7.83 3.94 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.61 0.89 0.00 0.00 117 G 8.31 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 0.00 118 A 7.92 4.29 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 *120 L 7.95 4.17 0.00 1.88 1.76 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.27 3.99 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 0.00 122 E 7.98 3.90 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 123 V 7.72 3.72 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 0.93 0.00 0.00 0.93 0.00 0.00 124 D 7.94 4.68 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 8.36 4.50 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 126 P 0.00 4.45 0.00 2.17 2.12 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.