NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1573 8.2649 123.5816 51.8619 19.3125 176.1815 *2 I 4.0818 8.1379 122.9483 61.9743 38.2688 176.4189 3 V 3.8479 8.6697 118.9195 62.2906 32.2049 176.3838 4 G 4.3423 7.1073 106.7285 45.8396 0.0000 171.8766 5 I 5.2412 7.6087 112.9476 59.1208 41.7211 174.4026 6 G 4.4775 9.1219 109.5550 45.0269 0.0000 171.6708 7 I 5.2369 8.3120 122.8898 59.1804 41.6464 173.8451 8 D 4.8631 9.1762 126.5788 52.7812 45.0196 173.5241 9 I 5.1066 8.5296 125.0446 59.3069 40.8243 174.3506 10 I 4.7103 8.8186 129.2565 59.3005 41.0745 174.4407 11 E 3.9971 8.7361 127.4508 55.4666 30.3558 177.2756 12 L 3.9056 8.3920 127.1767 58.0117 41.7128 179.4184 13 N 4.2125 7.8879 115.6662 55.8664 38.1573 177.3260 14 R 3.7775 7.3101 120.0241 59.3471 30.2456 178.2612 15 I 3.5895 7.3896 118.0844 64.0366 37.5582 177.3013 16 E 4.0544 8.2756 120.5167 59.1670 29.2056 180.6266 17 K 4.0294 7.5227 116.5745 56.2406 32.1486 178.3391 *19 L 4.3425 7.8659 119.9713 55.1174 43.9141 178.2057 20 D 4.4646 7.4377 117.7705 53.1731 38.4562 175.5588 *24 K 4.2055 6.9711 120.5638 56.3965 35.0219 176.3378 25 F 4.1499 7.9514 114.5779 59.0712 39.1944 176.7581 *27 E 4.2675 8.1211 121.1198 55.5653 31.0253 176.9413 28 R 4.1057 7.6495 116.8020 57.8703 30.5095 177.3478 29 I 3.5383 7.2181 116.8016 61.4236 38.2920 175.7013 30 L 4.8221 7.3410 118.8926 52.9697 43.6058 176.9190 31 T 4.2937 8.8675 114.1526 60.7029 71.3315 175.6896 32 E 3.9357 8.6367 119.7071 59.8965 29.1179 179.3247 33 N 4.3342 8.1505 115.5507 56.6117 38.6528 177.2130 34 E 4.1360 8.0863 119.3831 59.5467 29.5490 179.6593 35 R 4.0551 8.3944 118.1733 59.0113 29.8747 178.7451 36 N 4.4141 7.9412 115.6854 55.7936 38.7397 177.4472 37 V 3.6116 7.4648 119.5053 65.9517 31.7036 177.9361 38 A 3.6254 7.9982 120.4338 54.9067 17.8828 179.4210 39 K 3.9848 8.0025 117.4586 58.7823 32.2896 178.1585 40 G 3.8822 7.8281 103.5555 43.7880 0.0000 173.2766 41 L 4.6652 7.0098 120.9106 53.0442 44.0685 175.3078 42 K 4.5582 8.0383 118.3070 55.8150 36.5678 176.5906 43 G 3.7495 8.6168 107.5021 46.3101 0.0000 176.0949 44 S 4.1520 8.5756 113.8776 61.3227 62.8279 176.7219 45 R 3.8501 7.8910 122.1708 59.1306 29.9031 178.0188 46 L 4.0083 7.6841 119.7090 58.4407 42.0827 179.0034 47 T 3.9129 7.9133 115.9494 66.6899 68.4407 176.4701 48 E 3.9539 8.4635 119.7325 59.1590 29.6350 178.8055 49 F 4.0655 8.3615 121.6088 61.2481 39.4614 177.2446 50 V 3.5438 8.2622 117.5958 65.9050 31.3026 177.8343 51 A 4.1405 8.3546 120.7397 55.2340 18.2723 179.8982 52 G 3.6126 8.6517 104.6116 47.8541 0.0000 176.2702 53 R 3.8322 7.6909 120.2053 58.9114 30.0465 178.4849 54 F 3.8936 8.5442 120.6436 61.5665 39.3522 177.0759 55 A 5.0639 8.7885 121.2499 54.6738 18.1180 179.4361 56 A 3.9855 8.2574 119.2812 55.3887 18.5152 180.1001 57 K 3.9685 8.2735 117.0677 59.4781 32.1130 179.3024 58 E 3.8533 8.7782 119.8574 59.2843 29.6470 178.7335 59 A 4.0401 8.5701 121.2935 55.1496 18.3762 178.9075 60 Y 4.0279 8.3388 118.4877 60.9914 38.8003 178.5998 61 S 3.8864 8.1431 115.0354 61.3312 62.9004 176.6728 62 K 3.9116 7.9878 121.9414 59.0471 31.6667 178.9922 63 A 4.3840 7.8165 122.4645 54.7160 18.0354 179.9258 64 V 3.4161 7.2415 115.6541 64.0734 31.5554 177.2056 65 G 3.9408 7.9692 105.8714 45.2620 0.0000 173.6065 66 T 4.1891 7.4902 109.0597 60.1158 70.6781 175.4465 67 G 4.0007 7.9084 110.2834 44.8767 0.0000 172.9752 68 I 3.7985 8.1392 119.7828 61.2190 36.9272 176.5255 69 G 4.0500 8.2490 114.7159 46.2165 0.0000 175.3233 70 K 4.2476 8.9663 120.2557 58.7438 32.4531 177.7963 71 E 4.2467 8.0286 115.5178 57.3483 30.6094 176.6498 72 V 4.3792 7.4023 119.5452 61.1906 34.2992 173.7133 73 S 4.7612 9.5166 120.9671 55.6959 66.0588 174.3211 74 F 4.1198 8.3774 120.8270 60.8179 38.4692 177.5340 75 L 4.3695 7.8642 116.3194 55.7129 41.7007 177.1467 76 D 4.5877 7.9640 118.3121 55.1199 41.2894 176.2266 77 I 4.6990 7.4325 119.7453 59.1715 40.1624 174.6181 78 E 4.7280 8.9643 126.9037 54.3095 32.6989 174.4536 79 V 4.7139 9.6234 127.9262 61.6278 32.6723 175.0151 80 R 4.7846 8.9171 127.4784 54.6812 33.2995 174.9171 81 N 5.4860 8.4963 118.0326 51.5703 41.0620 175.2511 82 D 4.6990 9.1487 124.3931 52.5015 41.0067 176.4380 83 D 4.4432 8.6160 117.5293 56.1505 39.2935 177.1975 84 R 4.2056 8.2042 117.5517 56.1311 30.5629 177.1643 85 G 4.0527 8.0526 105.8023 44.4612 0.0000 173.8338 86 K 4.2233 8.1362 122.6734 55.5847 33.3857 173.9249 87 P 4.9364 0.0000 0.0000 62.8546 32.2844 175.4530 88 I 4.4303 9.1932 126.2907 59.2003 39.7579 174.3215 89 L 4.6022 8.5419 129.9097 54.2375 43.1117 175.5842 90 I 4.3882 8.7537 128.1020 60.0895 39.2099 174.7085 91 T 4.7846 7.9857 120.2584 60.8780 70.8523 173.0891 92 S 4.3569 8.5147 120.4141 58.8426 62.5712 174.0513 93 T 4.4209 7.8251 119.7390 63.0312 71.8547 173.7117 94 E 4.1948 8.5762 122.1266 57.7912 30.0971 176.4679 95 H 5.0456 7.6339 115.4816 54.5013 31.1047 174.4529 96 I 4.1661 8.6147 121.6434 60.6561 38.5178 175.1552 97 V 4.4939 8.3421 127.0777 61.6906 32.9542 174.2472 98 H 5.0404 9.1415 125.9550 54.1803 30.8427 173.8399 99 L 5.4040 8.4095 123.4594 53.7714 45.6283 175.0285 100 S 4.7910 8.8535 117.6624 57.0360 66.2575 172.7040 101 I 5.2800 8.2410 124.7620 59.9010 41.0502 174.5661 102 S 4.7365 8.9492 118.4985 57.3629 66.3569 172.8486 103 H 5.3497 8.4878 120.6721 54.3317 31.1185 173.3288 104 S 4.8126 8.5885 120.4731 56.7983 65.4933 173.5245 105 K 4.1137 8.8039 118.3286 59.4362 31.9605 177.6734 106 E 4.3893 8.1640 115.7127 56.1461 31.2823 175.1511 107 F 5.3711 8.1085 116.8037 55.6734 43.9375 173.3563 108 A 5.3365 9.0901 122.8415 50.4415 22.2017 175.7419 109 V 5.0989 9.0991 113.1513 59.8918 36.4984 174.5580 110 A 5.3432 8.8105 123.8751 50.7248 23.0996 175.2039 111 Q 5.0415 9.0695 117.5039 54.5936 32.7526 174.1822 112 V 5.0087 9.2452 120.0065 61.2911 35.6298 174.1712 113 V 4.8006 8.7781 126.2246 61.1624 34.5643 173.8539 114 L 5.1155 9.0278 128.5065 53.1878 43.7015 175.1058 115 E 5.0829 9.0624 124.9600 54.1245 32.7598 174.9845 116 S 4.6980 8.6663 120.8625 58.1736 64.3539 174.8599 117 S 4.4387 9.2319 118.5674 55.9626 61.8391 174.0178 118 S 4.6294 8.5381 122.2200 58.7073 62.6752 172.4682 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 0 A 8.26 4.16 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 *2 I 8.14 4.08 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 0.85 0.97 0.00 0.00 3 V 8.67 3.85 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 0.39 0.00 0.00 0.78 0.00 0.00 4 G 7.11 4.34 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 0.00 5 I 7.61 5.24 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 1.26 0.72 0.90 0.00 0.00 6 G 9.12 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 0.00 0.00 0.00 0.00 7 I 8.31 5.24 1.88 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 1.24 0.89 0.92 0.00 0.00 8 D 9.18 4.86 0.00 2.87 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.53 5.11 1.89 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.32 0.94 0.00 0.00 10 I 8.82 4.71 1.90 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 1.14 0.75 0.76 0.00 0.00 11 E 8.74 4.00 0.00 1.95 1.70 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 2.04 1.75 0.00 12 L 8.39 3.91 0.00 1.56 1.61 0.95 0.51 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 13 N 7.89 4.21 0.00 2.67 2.77 0.00 0.00 6.77 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 14 R 7.31 3.78 0.00 1.65 2.05 0.00 3.19 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 15 I 7.39 3.59 1.90 0.00 0.00 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 1.32 0.82 0.93 0.00 0.00 16 E 8.28 4.05 0.00 2.04 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 2.41 2.32 0.00 17 K 7.52 4.03 0.00 1.79 1.72 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.61 7.81 *19 L 7.87 4.34 0.00 1.79 1.77 0.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.44 4.46 0.00 2.65 2.61 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 0.00 0.00 0.00 *24 K 6.97 4.21 0.00 1.76 1.81 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.60 7.81 25 F 7.95 4.15 0.00 3.15 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 *27 E 8.12 4.27 0.00 1.99 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 2.17 2.33 0.00 28 R 7.65 4.11 0.00 1.69 1.84 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 29 I 7.22 3.54 1.39 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 -0.07 0.47 0.00 0.00 30 L 7.34 4.82 0.00 1.60 1.59 1.10 0.87 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 31 T 8.87 4.29 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 1.29 0.00 0.00 32 E 8.64 3.94 0.00 2.00 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 2.36 0.00 33 N 8.15 4.33 0.00 2.89 2.89 0.00 0.00 7.02 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 34 E 8.09 4.14 0.00 2.27 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 0.00 2.40 2.39 0.00 35 R 8.39 4.06 0.00 1.98 1.99 0.00 3.13 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 36 N 7.94 4.41 0.00 2.89 2.87 0.00 0.00 6.96 7.52 0.00 0.00 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 V 7.46 3.61 2.21 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 0.66 0.00 0.00 1.00 0.00 0.00 38 A 8.00 3.63 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 39 K 8.00 3.98 0.00 2.02 1.97 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.44 7.81 40 G 7.83 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 41 L 7.01 4.67 0.00 1.59 1.50 0.21 0.49 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 42 K 8.04 4.56 0.00 1.86 1.85 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.42 7.81 43 G 8.62 3.75 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 0.00 0.00 0.00 44 S 8.58 4.15 0.00 4.04 4.13 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 45 R 7.89 3.85 0.00 1.94 2.13 0.00 3.32 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 46 L 7.68 4.01 0.00 1.79 1.84 1.03 0.95 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 47 T 7.91 3.91 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 1.20 0.00 0.00 48 E 8.46 3.95 0.00 1.97 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 0.00 2.46 2.17 0.00 49 F 8.36 4.07 0.00 3.28 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 50 V 8.26 3.54 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 1.24 0.00 0.00 1.18 0.00 0.00 51 A 8.35 4.14 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 52 G 8.65 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.69 3.83 0.00 1.85 1.87 0.00 2.89 0.00 0.00 2.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.60 0.00 54 F 8.54 3.89 0.00 3.28 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 55 A 8.79 5.06 1.55 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 56 A 8.26 3.99 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 57 K 8.27 3.97 0.00 2.14 1.89 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.59 7.81 58 E 8.78 3.85 0.00 2.22 2.25 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 2.39 2.38 0.00 59 A 8.57 4.04 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.34 4.03 0.00 3.08 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.14 3.89 0.00 4.06 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 62 K 7.99 3.91 0.00 1.96 1.86 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.44 1.65 7.81 63 A 7.82 4.38 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 64 V 7.24 3.42 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 0.74 0.00 0.00 0.33 0.00 0.00 65 G 7.97 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 66 T 7.49 4.19 4.33 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 1.22 0.00 0.00 67 G 7.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.14 3.80 1.65 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.04 0.44 0.00 0.00 69 G 8.25 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 70 K 8.97 4.25 0.00 1.74 1.87 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.41 7.81 71 E 8.03 4.25 0.00 2.05 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 0.00 2.19 2.19 0.00 72 V 7.40 4.38 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 1.12 0.00 0.00 0.97 0.00 0.00 73 S 9.52 4.76 0.00 3.87 3.61 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 0.00 0.00 0.00 74 F 8.38 4.12 0.00 3.10 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 75 L 7.86 4.37 0.00 1.64 1.71 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.96 4.59 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.43 4.70 1.92 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 0.85 0.53 0.74 0.00 0.00 78 E 8.96 4.73 0.00 1.98 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 0.00 2.18 2.21 0.00 79 V 9.62 4.71 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 0.80 0.00 0.00 0.88 0.00 0.00 80 R 8.92 4.78 0.00 1.78 1.82 0.00 3.13 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 1.58 1.59 0.00 81 N 8.50 5.49 0.00 2.63 2.76 0.00 0.00 6.97 8.06 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 82 D 9.15 4.70 0.00 2.86 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 83 D 8.62 4.44 0.00 2.81 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.20 4.21 0.00 1.97 2.02 0.00 3.30 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 85 G 8.05 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 86 K 8.14 4.22 0.00 1.87 2.07 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.46 7.81 87 P 0.00 4.94 0.00 2.12 2.06 0.00 3.78 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 2.00 2.01 0.00 88 I 9.19 4.43 1.87 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 1.27 1.08 0.90 0.00 0.00 89 L 8.54 4.60 0.00 1.59 1.48 0.81 0.45 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 90 I 8.75 4.39 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.78 0.87 0.00 0.00 91 T 7.99 4.78 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 0.86 0.00 0.00 92 S 8.51 4.36 0.00 3.90 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 93 T 7.83 4.42 4.29 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 1.26 0.00 0.00 94 E 8.58 4.19 0.00 1.75 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 2.25 2.26 0.00 95 H 7.63 5.05 0.00 3.08 3.40 0.00 5.71 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.61 4.17 1.87 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 1.11 0.70 0.79 0.00 0.00 97 V 8.34 4.49 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 0.86 0.00 0.00 1.02 0.00 0.00 98 H 9.14 5.04 0.00 3.23 3.19 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.41 5.40 0.00 1.60 1.48 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.85 4.79 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 0.00 101 I 8.24 5.28 1.86 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 1.24 0.79 0.94 0.00 0.00 102 S 8.95 4.74 0.00 3.85 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 0.00 103 H 8.49 5.35 0.00 3.21 3.28 0.00 5.76 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.59 4.81 0.00 4.07 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.80 4.11 0.00 1.79 1.92 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.49 7.81 106 E 8.16 4.39 0.00 2.09 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 0.00 2.22 2.28 0.00 107 F 8.11 5.37 0.00 2.87 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 0.00 108 A 9.09 5.34 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 9.10 5.10 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 1.02 0.00 0.00 110 A 8.81 5.34 1.26 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 0.00 0.00 111 Q 9.07 5.04 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 112 V 9.25 5.01 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 1.11 0.00 0.00 1.07 0.00 0.00 113 V 8.78 4.80 2.14 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 1.04 0.00 0.00 0.94 0.00 0.00 114 L 9.03 5.12 0.00 1.66 1.52 0.78 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 115 E 9.06 5.08 0.00 2.08 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 116 S 8.67 4.70 0.00 3.94 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 0.00 117 S 9.23 4.44 0.00 4.01 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 0.00 118 S 8.54 4.63 0.00 3.94 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 * Residues marked with a * may have inaccurate shift predictions.