NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -11 H 4.7023 8.4449 120.3763 56.1610 31.1829 172.3621 -10 H 4.8281 9.1493 123.3280 53.6084 32.0355 172.8923 -9 H 4.2826 9.0663 122.2183 59.2854 29.6331 176.4308 -8 H 4.5357 8.1989 112.1432 57.3228 29.0118 175.7315 -7 H 4.7498 7.9527 118.0186 55.9299 28.5648 176.3455 -6 E 4.2507 8.0420 124.9208 59.2485 29.3239 178.5811 -5 N 4.3365 8.1261 116.9223 55.8958 37.3069 177.1495 -4 L 3.8986 7.6400 120.6822 57.8602 41.6781 178.8093 -3 Y 4.6310 7.6953 115.5516 61.2245 37.8091 178.3440 -2 F 4.3392 8.4667 121.1306 61.4205 39.5584 176.9117 -1 Q 4.2106 8.1623 117.0001 58.5945 28.5567 178.9636 0 G 4.1022 7.7437 106.2515 45.2028 0.0000 174.6127 -9 K 3.8726 8.9363 124.4183 60.4854 33.7331 178.9308 -8 R 4.1457 8.0089 114.4432 58.3228 30.9118 177.9315 -7 A 4.3398 7.7727 123.6186 53.4299 18.6648 180.0455 -6 L 4.2407 7.7820 126.5208 57.7485 41.8239 179.5811 -5 E 3.9465 8.1461 118.4223 59.3958 28.3069 178.5495 -4 F 4.1786 7.7800 119.1822 60.4602 38.8781 177.0093 -3 L 4.4210 7.7353 117.0516 58.4245 42.4091 180.0440 -2 K 4.0392 8.4567 121.2306 59.9205 33.0584 177.7117 -1 E 4.2206 8.2623 117.4001 59.4945 29.0567 179.5636 0 C 4.6922 7.7337 116.0515 58.3028 27.0330 174.3128 12 G 3.8103 8.6928 110.5465 45.5598 0.0000 173.5971 13 V 4.2262 7.9885 118.6174 60.6318 33.6177 176.3136 14 F 5.2621 8.5249 117.7232 55.7257 42.5089 172.4910 15 Y 4.9427 9.6554 116.7075 56.1139 40.8419 174.7304 16 L 5.0571 8.7867 126.7075 53.4431 44.0925 174.6270 17 A 5.3318 9.2626 129.4018 50.6771 21.3625 175.6834 18 T 4.9218 8.7950 111.9330 59.9875 72.8729 172.1282 19 N 5.3148 8.6331 117.5490 51.6297 41.6955 175.0949 20 E 4.4573 9.1125 123.4813 54.7846 30.8770 177.4859 21 G 3.7419 7.9311 117.9019 46.6751 0.0000 172.0855 22 D 4.5074 8.9030 123.9907 53.0613 39.6786 175.4627 23 Q 4.3890 7.9532 122.9418 53.9317 29.2581 172.9058 24 P 4.8999 0.0000 0.0000 62.8824 32.2880 176.2524 25 R 4.9241 9.0777 121.5502 54.5646 34.2529 174.7882 26 V 5.4654 8.5396 120.6734 60.3473 34.6371 173.9325 27 R 4.9559 8.4014 117.8047 54.3187 32.7882 172.0946 28 P 4.2631 0.0000 0.0000 62.8498 32.1231 175.3770 29 F 4.7446 8.9726 121.3955 55.7890 43.0944 176.6005 30 G 3.9593 8.0170 104.7385 46.2153 0.0000 172.5075 31 A 4.9092 8.0076 122.0492 50.1818 21.6130 176.3906 32 V 5.2265 8.5008 115.0548 60.1005 36.0735 174.3694 33 F 5.2033 8.7901 117.0630 56.0237 41.7286 172.4554 34 E 5.4267 8.9517 117.0245 55.1201 32.1663 174.9637 35 Y 4.9764 9.1859 121.6877 58.0480 42.2205 174.6138 36 E 3.7024 9.5435 126.1748 57.4371 27.2304 175.8028 37 G 4.2356 8.6356 103.6714 45.6563 0.0000 173.9453 38 K 4.6152 8.0175 119.0996 54.2129 34.7052 174.7631 39 L 4.7560 8.3278 123.9663 54.4170 43.6154 174.7151 40 Y 5.2752 8.9272 124.6731 56.1467 40.8864 174.8640 41 I 5.4181 8.9184 115.6864 59.4051 41.4189 174.4212 42 V 4.9285 8.3781 114.4823 60.3926 35.2499 175.8654 43 S 4.4165 8.5764 116.2086 57.9883 66.5395 171.7233 44 N 5.3635 8.6489 115.9368 51.9939 41.9112 176.1192 45 N 3.2325 9.3088 123.2023 53.7657 37.5252 176.2505 46 T 4.3249 8.1713 109.0766 62.4247 69.9703 175.7950 47 K 4.4316 7.9181 122.9069 55.5282 34.3860 177.6946 48 K 4.0250 8.6935 121.9730 59.8446 31.8254 179.3490 49 C 4.3156 8.1336 113.3010 61.3298 29.5829 175.3729 50 F 4.2393 8.2454 121.6446 61.0466 39.4356 176.7552 51 K 4.1583 8.2441 118.0724 59.3677 31.6771 179.9071 52 Q 4.1982 8.2554 116.3722 56.3878 28.2493 178.4474 *54 I 3.8124 7.6686 122.2017 61.4117 39.0109 177.1555 55 Q 3.9250 7.9951 119.9467 58.3337 28.9645 175.2717 56 N 4.6851 8.2090 116.4939 51.1780 40.4506 171.9567 57 P 4.3226 0.0000 0.0000 64.3207 32.6103 176.1983 58 K 4.6597 8.0754 121.6188 56.5540 32.5938 176.7922 59 V 4.7571 8.9580 117.5183 59.6712 36.8424 173.8919 60 E 5.2420 8.9671 121.4788 54.7475 33.3976 174.0016 61 I 5.2495 9.0712 126.4324 59.7584 40.5104 174.5876 62 S 5.4987 8.5196 119.5460 56.3305 66.4459 173.5346 63 G 4.1677 8.4753 109.1741 46.5327 0.0000 171.0948 *65 N 5.0691 8.3543 117.6027 52.4490 38.4087 174.9362 66 K 4.0989 8.4822 116.1654 59.2567 32.1187 178.3391 67 K 4.1935 8.2292 115.9599 56.5027 32.2379 177.6513 68 G 4.0982 8.2933 107.5274 45.4926 0.0000 173.9276 69 Q 4.8299 8.2172 118.5430 55.5223 29.6639 175.4908 70 W 5.8234 8.9554 118.4051 55.0586 32.5090 173.5909 71 I 4.7999 9.0977 120.8236 59.3155 41.0363 174.3788 72 R 5.1231 8.8926 125.9769 54.3459 33.8897 174.0084 73 L 4.8868 9.1933 126.4991 53.6251 44.8612 174.9621 74 T 4.8784 8.5137 124.2264 62.3168 70.8573 174.9730 75 G 3.9756 7.9631 110.2797 46.5159 0.0000 171.4925 76 E 5.7961 8.2558 118.3131 53.6028 33.1973 175.8444 77 V 4.4135 8.0165 114.8712 59.2881 35.0523 174.8548 78 A 4.4729 7.7795 124.1072 49.6848 22.2000 175.0965 79 N 4.6391 8.7598 121.1862 53.6619 39.9448 173.5672 80 D 5.0333 9.0159 126.4624 52.8583 42.4291 175.4121 81 D 4.7102 8.9056 125.2344 54.5181 41.6617 177.0712 82 R 4.0943 8.1541 120.6569 55.8150 30.7853 177.5929 83 R 3.9370 8.8541 123.1680 59.5201 30.0680 178.3480 84 E 4.1979 8.1019 118.2503 58.8396 29.3779 179.2609 85 V 3.1115 7.6025 118.7339 65.3975 31.6069 178.1532 86 K 3.9714 7.8914 117.8330 59.4592 32.0974 178.8487 87 E 3.9100 8.1586 118.7709 59.4234 29.4269 179.2624 88 L 3.8444 7.7019 119.9921 57.8426 41.9660 178.6900 89 A 2.7720 7.7174 120.9336 54.9557 18.2749 179.6890 90 L 3.8587 7.6664 116.6494 57.5440 41.3891 179.5594 91 E 3.9546 7.7275 117.5195 59.0792 29.5409 178.6898 92 A 4.2177 8.1746 120.4180 53.6085 19.9157 177.9164 93 V 4.3637 7.7837 117.4168 59.7116 31.4069 174.0268 94 P 4.9855 0.0000 0.0000 64.5704 31.5508 178.4796 95 S 4.0826 8.1646 113.9343 61.3607 62.3998 176.2387 96 L 4.0637 7.9903 122.1270 57.5143 41.3575 179.1565 97 K 4.4536 7.7552 118.8818 58.2170 31.9250 177.8692 98 N 4.2980 7.6119 113.7218 54.7601 38.2346 174.3051 *100 Y 4.6065 7.5489 116.3842 57.9745 39.2551 174.0561 101 S 4.6490 8.7113 115.0195 56.3852 66.3859 175.2000 102 V 3.6797 8.5295 121.2507 65.8205 30.2558 176.6802 103 D 5.0139 7.9049 118.1503 54.0585 41.4530 177.2003 104 D 4.1728 8.2130 119.4773 53.7697 39.7919 178.0765 105 G 4.1341 7.7422 108.4462 45.7104 0.0000 173.9677 106 I 4.8474 7.5035 110.8700 60.4090 40.5501 175.9659 107 F 4.3964 8.9851 125.4961 58.2405 39.8157 174.5644 108 A 4.5420 8.3116 126.6811 50.0252 22.6373 175.0034 109 V 4.8802 8.1677 113.5984 59.5198 35.3562 174.7335 110 L 5.4450 9.2996 124.3638 53.0707 45.7572 175.1139 111 Y 4.8764 8.2220 119.4721 54.7386 41.7131 174.6109 112 F 4.4205 8.7104 120.1397 57.3806 38.7127 176.0840 113 T 4.2477 8.5034 116.2845 64.2321 69.5451 174.7127 114 K 4.5767 6.6071 118.8868 56.6432 35.9122 174.6803 115 G 4.3657 7.8408 106.9708 46.2025 0.0000 171.8584 116 E 5.0370 8.8354 118.5579 54.3477 33.1648 174.7823 117 G 3.6352 8.3299 108.8473 44.4707 0.0000 171.2969 118 T 4.9696 8.2450 115.8388 61.5860 73.0147 173.0798 119 I 4.4032 8.8655 126.8888 59.6052 39.6737 174.3474 120 C 4.6133 8.4686 124.6986 57.7436 30.7081 173.2491 121 S 4.8965 7.9455 117.3122 56.5445 65.8089 174.0643 122 F 4.3785 9.5482 126.9710 61.5723 39.3351 175.8911 *123 K 4.4678 7.7912 120.2036 53.1471 33.4320 177.4095 124 G 4.0631 8.7729 112.8165 43.5886 0.0000 174.0248 125 E 4.1203 8.3114 115.5290 55.1761 30.4234 177.5462 126 N 4.5070 8.4233 118.3373 53.6606 39.6957 173.9177 127 E 4.6153 8.9203 124.0807 54.9039 31.2966 174.7584 128 T 5.0917 8.4173 116.9961 60.1619 71.7555 173.0481 129 F 5.0246 8.2255 116.9504 56.2043 41.7985 172.8847 130 S 5.3069 8.8812 114.7430 56.6014 66.4263 174.2926 131 L 4.5291 8.8335 122.3225 56.0883 40.5790 176.1681 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 -11 H 8.44 4.70 0.00 2.94 3.15 0.00 5.83 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -10 H 9.15 4.83 0.00 3.09 3.10 0.00 5.88 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -9 H 9.07 4.28 0.00 3.34 3.44 0.00 5.81 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -8 H 8.20 4.54 0.00 3.24 3.41 0.00 5.51 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 -7 H 7.95 4.75 0.00 2.77 2.58 0.00 5.64 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 -6 E 8.04 4.25 0.00 2.52 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 2.42 2.52 0.00 -5 N 8.13 4.34 0.00 2.95 3.04 0.00 0.00 6.30 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 L 7.64 3.90 0.00 1.52 1.58 0.70 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 7.70 4.63 0.00 3.14 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 -2 F 8.47 4.34 0.00 3.13 3.29 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 -1 Q 8.16 4.21 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.41 0.00 0.00 0.00 0.00 0.00 2.51 2.70 0.00 0 G 7.74 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -9 K 8.94 3.87 0.00 1.89 2.03 0.00 0.61 0.00 0.00 1.87 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.51 7.81 -8 R 8.01 4.15 0.00 1.81 2.01 0.00 2.21 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 -7 A 7.77 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -6 L 7.78 4.24 0.00 2.08 1.68 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 -5 E 8.15 3.95 0.00 2.18 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 2.36 2.35 0.00 -4 F 7.78 4.18 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 L 7.74 4.42 0.00 1.73 1.61 0.92 0.72 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 -2 K 8.46 4.04 0.00 1.83 2.00 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.53 7.81 -1 E 8.26 4.22 0.00 2.18 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 2.65 0.00 0 C 7.73 4.69 0.00 2.69 2.81 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 12 G 8.69 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 0.00 0.00 0.00 13 V 7.99 4.23 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 0.84 0.00 0.00 0.66 0.00 0.00 14 F 8.52 5.26 0.00 3.30 3.27 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 15 Y 9.66 4.94 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.79 5.06 0.00 1.36 0.94 0.84 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17 A 9.26 5.33 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.80 4.92 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 1.13 0.00 0.00 19 N 8.63 5.31 0.00 2.56 2.83 0.00 0.00 6.53 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 20 E 9.11 4.46 0.00 1.91 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 2.18 2.21 0.00 21 G 7.93 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 0.00 0.00 0.00 22 D 8.90 4.51 0.00 2.79 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 23 Q 7.95 4.39 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 24 P 0.00 4.90 0.00 1.98 1.97 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 25 R 9.08 4.92 0.00 1.66 1.78 0.00 3.29 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 26 V 8.54 5.47 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 0.90 0.00 0.00 1.08 0.00 0.00 27 R 8.40 4.96 0.00 1.93 2.10 0.00 3.27 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 28 P 0.00 4.26 0.00 1.87 1.66 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 29 F 8.97 4.74 0.00 2.30 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 0.00 0.00 0.00 0.00 30 G 8.02 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 0.00 0.00 0.00 31 A 8.01 4.91 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 32 V 8.50 5.23 2.18 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 0.94 0.00 0.00 1.06 0.00 0.00 33 F 8.79 5.20 0.00 3.16 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 34 E 8.95 5.43 0.00 2.09 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 2.33 2.46 0.00 35 Y 9.19 4.98 0.00 3.01 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 36 E 9.54 3.70 0.00 1.80 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 0.00 1.77 1.47 0.00 37 G 8.64 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 0.00 0.00 0.00 0.00 38 K 8.02 4.62 0.00 1.90 1.60 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.10 7.81 39 L 8.33 4.76 0.00 1.74 1.58 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.93 5.28 0.00 1.43 2.18 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 41 I 8.92 5.42 2.39 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.97 1.31 0.00 0.00 42 V 8.38 4.93 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 1.05 0.00 0.00 1.05 0.00 0.00 43 S 8.58 4.42 0.00 4.10 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 44 N 8.65 5.36 0.00 2.96 2.67 0.00 0.00 6.70 6.71 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 45 N 9.31 3.23 0.00 2.36 2.12 0.00 0.00 6.28 7.09 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 46 T 8.17 4.32 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 1.21 0.00 0.00 47 K 7.92 4.43 0.00 2.09 1.88 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.51 1.55 7.81 48 K 8.69 4.02 0.00 1.85 1.91 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.55 7.81 49 C 8.13 4.32 0.00 3.20 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 50 F 8.25 4.24 0.00 3.15 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 51 K 8.24 4.16 0.00 2.06 1.88 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.81 7.81 52 Q 8.26 4.20 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.39 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 *54 I 7.67 3.81 1.79 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.32 0.81 0.00 0.00 55 Q 8.00 3.92 0.00 1.95 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 56 N 8.21 4.69 0.00 2.59 2.60 0.00 0.00 7.26 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 57 P 0.00 4.32 0.00 1.99 2.12 0.00 3.66 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 1.97 1.89 0.00 58 K 8.08 4.66 0.00 1.76 1.76 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.36 7.81 59 V 8.96 4.76 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 0.59 0.00 0.00 0.92 0.00 0.00 60 E 8.97 5.24 0.00 2.03 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 2.24 2.38 0.00 61 I 9.07 5.25 1.92 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.80 1.00 0.00 0.00 62 S 8.52 5.50 0.00 3.99 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 63 G 8.48 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 0.00 0.00 0.00 *65 N 8.35 5.07 0.00 2.86 2.68 0.00 0.00 6.01 6.77 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 66 K 8.48 4.10 0.00 2.04 1.94 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.03 7.81 67 K 8.23 4.19 0.00 2.22 1.93 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.00 7.81 68 G 8.29 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.22 4.83 0.00 2.51 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.65 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 70 W 8.96 5.82 0.00 3.65 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 71 I 9.10 4.80 1.53 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 1.24 1.55 1.26 0.00 0.00 72 R 8.89 5.12 0.00 1.73 1.78 0.00 3.30 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 73 L 9.19 4.89 0.00 1.63 1.42 0.73 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.51 4.88 4.18 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 1.20 0.00 0.00 75 G 7.96 3.98 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 0.00 0.00 0.00 76 E 8.26 5.80 0.00 1.79 1.64 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 2.12 2.03 0.00 77 V 8.02 4.41 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.61 0.00 0.00 78 A 7.78 4.47 0.74 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 0.00 0.00 79 N 8.76 4.64 0.00 2.73 2.78 0.00 0.00 6.87 8.47 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 80 D 9.02 5.03 0.00 3.17 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 81 D 8.91 4.71 0.00 2.76 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 82 R 8.15 4.09 0.00 2.05 1.91 0.00 3.39 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 83 R 8.85 3.94 0.00 1.88 1.94 0.00 3.19 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 84 E 8.10 4.20 0.00 2.20 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 2.37 2.17 0.00 85 V 7.60 3.11 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 0.75 0.00 0.00 1.01 0.00 0.00 86 K 7.89 3.97 0.00 2.06 2.08 0.00 1.75 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.46 7.81 87 E 8.16 3.91 0.00 2.10 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 2.30 2.47 0.00 88 L 7.70 3.84 0.00 1.40 1.32 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.72 2.77 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 90 L 7.67 3.86 0.00 1.75 1.61 0.77 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.73 3.95 0.00 1.98 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 0.00 2.48 2.41 0.00 92 A 8.17 4.22 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.78 4.36 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.04 0.00 0.00 94 P 0.00 4.99 0.00 2.27 2.26 0.00 3.92 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.86 0.00 95 S 8.16 4.08 0.00 4.05 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 96 L 7.99 4.06 0.00 1.68 1.74 1.14 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.76 4.45 0.00 1.75 1.79 0.00 1.61 0.00 0.00 1.49 0.00 0.00 2.98 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.36 1.35 7.81 98 N 7.61 4.30 0.00 2.74 2.76 0.00 0.00 6.96 7.34 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 *100 Y 7.55 4.61 0.00 2.43 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 0.00 0.00 0.00 0.00 101 S 8.71 4.65 0.00 3.90 3.83 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 0.00 102 V 8.53 3.68 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 0.84 0.00 0.00 0.92 0.00 0.00 103 D 7.90 5.01 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.21 4.17 0.00 2.97 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 0.00 105 G 7.74 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 0.00 0.00 0.00 106 I 7.50 4.85 2.09 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 1.21 2.14 0.94 0.00 0.00 107 F 8.99 4.40 0.00 3.08 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 0.00 108 A 8.31 4.54 1.01 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 0.00 109 V 8.17 4.88 2.38 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 0.40 0.00 0.00 0.97 0.00 0.00 110 L 9.30 5.45 0.00 1.56 1.44 1.13 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 8.22 4.88 0.00 2.35 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 0.00 112 F 8.71 4.42 0.00 2.90 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.50 4.25 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 114 K 6.61 4.58 0.00 1.74 1.78 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.23 7.81 115 G 7.84 4.37 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 0.00 116 E 8.84 5.04 0.00 1.87 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 2.17 2.11 0.00 117 G 8.33 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 0.00 118 T 8.24 4.97 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 1.02 0.00 0.00 119 I 8.87 4.40 1.63 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.66 0.32 0.00 0.00 120 C 8.47 4.61 0.00 1.23 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 7.95 4.90 0.00 3.75 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 0.00 122 F 9.55 4.38 0.00 3.10 3.24 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 *123 K 7.79 4.47 0.00 1.79 1.56 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 0.97 7.81 124 G 8.77 4.06 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 0.00 125 E 8.31 4.12 0.00 2.00 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 2.23 1.90 0.00 126 N 8.42 4.51 0.00 2.49 2.64 0.00 0.00 6.81 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 0.00 127 E 8.92 4.62 0.00 1.96 1.72 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 2.28 2.23 0.00 128 T 8.42 5.09 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 129 F 8.23 5.02 0.00 2.99 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.88 5.31 0.00 3.98 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 0.00 131 L 8.83 4.53 0.00 1.68 1.74 0.84 0.71 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 * Residues marked with a * may have inaccurate shift predictions.