NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 D 4.7027 8.2233 120.4562 54.2231 42.7415 173.9823 10 I 4.8997 8.3924 125.9324 59.2889 41.0543 173.0780 11 R 4.7938 9.2290 124.0089 54.7942 35.6598 174.4136 12 V 5.1559 8.0433 119.4510 62.7171 33.9168 172.9964 13 R 4.9652 8.4868 128.0083 55.0932 33.7474 175.3698 14 R 4.1773 8.9769 116.9441 55.6259 32.3871 175.6679 15 L 3.6530 8.0490 120.8647 55.4356 39.4794 171.6289 16 F 4.4967 9.3754 123.6685 57.1645 40.4300 175.6786 17 C 3.8313 8.6693 129.6401 58.9123 32.7581 171.8028 18 R 3.9799 7.6716 116.3625 57.1359 31.3556 178.0965 19 T 4.0012 7.4322 105.6229 62.4452 68.9251 173.4254 20 Q 3.6739 7.7330 119.3687 56.8319 25.9482 172.2302 21 W 5.6611 7.7089 115.3648 55.7698 34.4374 174.1262 22 Y 5.3309 8.9747 116.7303 56.1880 40.5529 175.9068 23 L 4.6800 8.5349 123.7974 55.6859 42.8748 176.0815 24 R 4.7225 8.2673 120.8994 55.5651 33.4038 173.3460 25 I 4.6806 7.9808 123.2305 59.7904 40.1725 174.8568 26 D 5.1346 8.4137 125.0052 52.4759 43.2424 177.7495 27 K 4.0294 8.7926 118.2706 59.5057 32.8392 177.9330 28 R 4.1214 7.6175 117.1801 55.5168 30.4219 176.1316 29 G 3.8161 7.0087 102.4425 45.8085 0.0000 174.2850 30 K 4.1226 8.0422 120.5135 55.8470 31.5555 176.6951 31 V 4.1221 8.3138 127.7442 61.5892 30.7948 177.7388 32 K 4.5511 7.8271 135.0000 55.4262 33.7670 175.4756 33 G 4.0942 7.9583 102.5156 47.7338 0.0000 172.6261 34 T 5.4225 8.3080 120.8101 60.9295 70.8876 175.2723 35 Q 4.4776 9.6096 127.1254 56.9701 28.5007 176.6311 36 E 4.0725 7.8192 113.8653 56.7465 29.5677 181.6856 37 M 3.4757 7.7909 125.0375 56.7803 32.9557 177.9954 38 R 3.8422 7.6528 120.5480 58.0320 30.7853 174.8950 39 N 4.2503 7.5020 118.2837 53.7750 38.3316 174.5677 40 S 4.6773 8.2419 125.2188 59.3485 63.1917 174.4258 41 Y 4.5852 8.6628 118.8023 57.1945 39.0855 175.3173 42 N 5.1105 8.0003 112.8091 52.3638 38.7960 174.4230 43 I 3.9858 7.5005 123.0283 61.8461 38.4440 174.7082 44 M 4.7784 8.9965 126.7881 53.4579 34.9348 174.4653 45 E 4.7688 8.7502 124.6255 55.0640 31.4451 174.5860 46 I 4.6633 9.0147 129.0925 59.8858 39.6223 175.6032 47 R 5.1457 8.3838 126.1940 54.7853 33.2734 175.1243 48 T 5.0409 7.8400 110.9523 60.1774 70.5131 174.6370 49 V 4.2793 9.2398 116.8355 59.9026 32.9250 175.4299 50 A 4.7301 7.6153 128.5281 51.2904 20.5719 176.6490 51 V 3.4951 8.0777 120.2292 63.3306 29.8753 175.1883 52 G 4.2798 8.5320 117.8870 45.8856 0.0000 173.2527 53 I 4.3817 7.8928 118.6466 60.4899 38.9149 174.8401 54 V 5.3983 9.1371 123.5690 60.3578 35.5364 173.7309 55 A 5.2546 8.3605 123.1212 50.4313 23.1965 175.1668 56 I 4.8213 8.5548 119.2022 59.5522 40.8512 174.4169 57 K 4.5782 8.4744 128.7760 54.0851 35.5823 175.4275 58 G 4.0660 9.3098 114.8136 45.1119 0.0000 174.4012 59 V 3.7252 8.1157 128.4610 65.0497 31.4913 176.8018 60 E 4.2652 8.0142 116.8204 57.1949 30.8997 177.1173 61 S 4.0760 7.8030 116.0088 59.3007 63.7256 176.0522 62 E 3.9826 8.7054 114.8525 55.8614 27.9726 177.1801 63 Y 4.4567 7.6398 116.3295 58.7185 40.1515 175.2218 64 Y 4.9149 8.3954 119.8996 56.2513 41.0125 174.5725 65 L 4.9790 7.7650 118.3709 54.0900 40.5397 176.8852 66 A 4.2096 8.0597 122.5411 52.6868 20.0950 179.0050 67 M 4.9732 8.1493 117.3773 55.5152 33.2956 175.5790 68 N 4.1174 8.2051 112.0723 53.1632 38.3994 174.8530 *72 K 3.9065 7.9078 116.9200 57.2094 33.0742 174.0968 73 L 3.7723 8.7250 126.2930 55.0469 38.6773 173.3562 74 Y 5.1950 9.3963 128.6602 56.6597 40.5426 173.6272 75 A 5.4694 7.7028 115.2185 52.0478 24.1031 178.8664 76 K 4.0499 8.1701 116.0516 56.1748 30.6405 175.9335 77 K 4.2907 8.3004 118.9917 57.1833 35.5932 174.0097 78 E 4.3811 7.6564 117.8587 53.4382 28.2246 176.9187 79 C 4.1518 7.3766 118.7564 58.0740 31.1232 174.5644 80 N 4.6337 7.9626 117.9121 52.0427 38.8267 174.3341 81 E 4.0004 9.1382 114.6005 60.3560 29.4852 179.1266 82 D 4.6656 8.8216 118.3831 57.5015 40.9536 177.7563 83 C 4.1468 8.3015 114.6343 60.7441 28.2932 172.9536 84 N 4.8367 7.3311 118.7579 51.9775 40.5243 174.4294 85 F 5.4259 8.9628 121.0221 55.9776 43.2974 173.9431 86 K 4.4537 9.0221 125.8412 55.8852 31.8766 175.3543 87 E 4.5547 8.4683 128.4930 56.9871 30.5210 176.5665 88 L 4.8691 8.9378 127.1873 53.3723 45.7832 173.8880 89 I 4.6002 8.2690 122.9102 59.2208 38.8832 175.9676 90 L 4.3297 8.3852 126.8776 53.5406 44.1179 176.8786 91 E 4.3267 8.6620 118.8965 58.0350 26.5829 176.1149 92 N 4.3829 8.4913 119.5625 54.3581 39.3359 173.6106 93 H 4.5752 8.1022 113.2348 55.8183 30.0926 176.0576 94 Y 4.6592 8.7482 124.2795 58.1620 40.1156 174.0871 95 N 5.1420 8.5408 120.4004 52.2446 39.6760 174.8271 96 T 3.9796 8.3249 115.1084 60.4215 70.2542 173.7920 97 Y 4.9647 7.7411 120.4158 55.9653 40.4294 174.5661 98 A 4.0607 7.9590 125.4340 51.0251 19.8967 176.7676 99 S 4.9976 9.6425 116.5234 57.9156 63.2180 175.0681 100 A 4.2763 8.2179 127.2592 52.1228 15.2090 177.8901 101 K 3.7587 8.1783 123.2733 56.0741 29.4982 175.6752 102 W 4.8645 8.0057 122.4127 55.3750 29.6701 173.3897 103 T 3.3478 8.4234 111.2568 60.3541 66.0868 171.9613 104 H 4.6448 7.6519 125.7313 56.3615 31.0410 174.6071 105 S 4.3755 8.1609 113.2162 59.1158 62.3089 173.3385 *109 M 4.4574 7.7309 118.6291 56.0147 32.2888 174.1859 110 F 5.4429 8.7212 123.4255 55.4924 42.4853 173.8892 111 V 4.6030 7.7312 118.5439 61.7658 33.3580 175.5478 112 A 4.8128 8.6171 127.7939 50.8345 22.6338 174.3696 113 L 5.1678 7.6996 119.6572 52.6043 44.3398 176.5569 114 N 4.4394 9.1696 121.0801 53.3461 39.1337 176.1951 115 Q 4.1056 8.6155 120.0212 59.2029 28.8705 178.2756 116 K 4.4106 8.0556 116.6522 53.7536 32.2265 176.8817 117 G 2.4610 8.5344 112.9650 46.0341 0.0000 172.9145 118 L 4.3558 7.3525 122.8992 52.3396 46.2401 172.2652 119 P 4.6302 0.0000 0.0000 63.5047 31.3787 176.2296 120 V 4.0915 8.5160 127.4851 62.2732 33.2288 176.0215 121 K 4.3571 8.4702 126.3079 53.3824 32.5222 178.9860 122 G 4.4635 8.9821 111.8224 47.1992 0.0000 175.3443 123 K 3.9776 8.0451 119.1942 58.8614 32.2323 178.3085 124 K 4.3551 8.2883 116.0173 55.3118 32.9654 176.7434 125 T 4.0452 7.3840 114.4032 61.5941 69.3039 174.5296 126 K 4.5339 8.5071 126.2821 51.8880 35.3411 173.3255 127 K 4.1778 7.9661 124.3107 56.9514 32.7025 176.1147 128 E 3.9194 8.9712 122.8515 56.6364 27.8662 173.5312 129 Q 4.3542 7.3432 116.7595 54.5103 30.0874 176.7853 130 K 3.6878 8.3315 127.7029 57.3487 31.2170 177.9939 131 T 4.2385 7.5042 110.6381 60.6266 71.2962 177.4536 132 A 4.5695 7.4689 120.6719 52.7680 19.3887 177.2150 133 H 4.5277 7.3505 117.7669 55.8559 26.8616 174.9258 134 F 4.7076 8.0568 120.3176 57.0186 41.3141 174.4576 135 L 4.9987 9.5004 123.6471 52.5820 44.8662 173.6379 136 P 4.6293 0.0000 0.0000 63.4871 32.2014 175.9400 137 M 4.4186 8.9365 125.8247 53.9721 33.4215 174.6859 138 A 4.3222 8.8601 128.9725 52.1564 19.1285 176.9431 139 I 3.7773 8.4707 120.8396 62.2490 37.9368 175.3235 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 9 D 8.22 4.70 0.00 2.83 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 10 I 8.39 4.90 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 1.35 0.90 0.95 0.00 0.00 11 R 9.23 4.79 0.00 1.69 1.78 0.00 3.14 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 12 V 8.04 5.16 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 0.72 0.00 0.00 0.98 0.00 0.00 13 R 8.49 4.97 0.00 1.76 2.00 0.00 3.34 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 14 R 8.98 4.18 0.00 1.82 2.19 0.00 3.32 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 15 L 8.05 3.65 0.00 1.92 1.74 0.90 0.57 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 16 F 9.38 4.50 0.00 2.80 2.91 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 17 C 8.67 3.83 0.00 2.91 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.67 3.98 0.00 1.49 1.65 0.00 2.76 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.38 0.00 19 T 7.43 4.00 4.53 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 1.26 0.00 0.00 20 Q 7.73 3.67 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 21 W 7.71 5.66 0.00 3.21 3.13 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 22 Y 8.97 5.33 0.00 3.33 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 23 L 8.53 4.68 0.00 1.96 1.66 1.05 0.70 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 24 R 8.27 4.72 0.00 2.03 1.79 0.00 3.26 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 25 I 7.98 4.68 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.84 0.94 0.00 0.00 26 D 8.41 5.13 0.00 2.95 2.56 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 27 K 8.79 4.03 0.00 1.94 2.23 0.00 1.62 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.42 7.81 28 R 7.62 4.12 0.00 1.75 1.94 0.00 3.38 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 29 G 7.01 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 0.00 0.00 0.00 30 K 8.04 4.12 0.00 1.81 1.77 0.00 1.64 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.40 7.81 31 V 8.31 4.12 2.16 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 0.81 0.00 0.00 1.03 0.00 0.00 32 K 7.83 4.55 0.00 1.60 1.49 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.25 7.81 33 G 7.96 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.31 5.42 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 1.32 0.00 0.00 35 Q 9.61 4.48 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.70 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 36 E 7.82 4.07 0.00 2.01 1.77 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 2.26 2.12 0.00 37 M 7.79 3.48 0.00 1.92 1.75 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 38 R 7.65 3.84 0.00 1.79 1.95 0.00 3.28 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 39 N 7.50 4.25 0.00 2.67 2.74 0.00 0.00 7.05 7.32 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 40 S 8.24 4.68 0.00 3.93 3.87 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 0.00 0.00 0.00 41 Y 8.66 4.59 0.00 3.03 2.87 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 0.00 0.00 0.00 42 N 8.00 5.11 0.00 3.01 2.98 0.00 0.00 6.22 7.81 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 43 I 7.50 3.99 1.85 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 1.24 0.65 0.91 0.00 0.00 44 M 9.00 4.78 0.00 1.84 1.90 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 2.48 2.79 0.00 45 E 8.75 4.77 0.00 2.05 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 2.20 2.30 0.00 46 I 9.01 4.66 1.84 0.00 0.00 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 1.10 0.60 0.85 0.00 0.00 47 R 8.38 5.15 0.00 1.75 1.85 0.00 3.24 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 48 T 7.84 5.04 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 1.28 0.00 0.00 49 V 9.24 4.28 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 0.69 0.00 0.00 0.93 0.00 0.00 50 A 7.62 4.73 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 51 V 8.08 3.50 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 0.74 0.00 0.00 0.94 0.00 0.00 52 G 8.53 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 53 I 7.89 4.38 1.86 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 1.12 0.55 0.93 0.00 0.00 54 V 9.14 5.40 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 1.34 0.00 0.00 1.10 0.00 0.00 55 A 8.36 5.25 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 56 I 8.55 4.82 1.87 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 0.97 1.28 0.84 0.00 0.00 57 K 8.47 4.58 0.00 1.37 1.36 0.00 1.08 0.00 0.00 1.26 0.00 0.00 2.68 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.83 0.21 7.81 58 G 9.31 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 59 V 8.12 3.73 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 0.73 0.00 0.00 0.90 0.00 0.00 60 E 8.01 4.27 0.00 1.71 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 1.47 1.47 0.00 61 S 7.80 4.08 0.00 4.05 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 E 8.71 3.98 0.00 2.16 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 2.13 2.13 0.00 63 Y 7.64 4.46 0.00 2.92 2.95 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 64 Y 8.40 4.91 0.00 3.12 2.95 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 65 L 7.76 4.98 0.00 2.06 1.94 0.82 1.65 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 66 A 8.06 4.21 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 67 M 8.15 4.97 0.00 2.10 2.49 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.81 0.00 68 N 8.21 4.12 0.00 2.88 2.69 0.00 0.00 7.07 7.61 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 *72 K 7.91 3.91 0.00 1.78 1.83 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.41 7.81 73 L 8.73 3.77 0.00 1.84 1.79 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 9.40 5.20 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 75 A 7.70 5.47 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 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.17 4.05 0.00 1.74 1.80 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.72 1.08 7.81 77 K 8.30 4.29 0.00 1.70 1.62 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 0.99 7.81 78 E 7.66 4.38 0.00 1.97 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 2.17 1.85 0.00 79 C 7.38 4.15 0.00 2.50 1.78 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 80 N 7.96 4.63 0.00 2.86 2.83 0.00 0.00 6.13 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 81 E 9.14 4.00 0.00 2.07 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 2.38 2.27 0.00 82 D 8.82 4.67 0.00 2.75 2.90 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 83 C 8.30 4.15 0.00 2.86 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 84 N 7.33 4.84 0.00 2.43 2.59 0.00 0.00 6.71 7.99 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 85 F 8.96 5.43 0.00 2.92 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 86 K 9.02 4.45 0.00 1.93 1.79 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.42 7.81 87 E 8.47 4.55 0.00 2.26 1.97 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 2.44 2.52 0.00 88 L 8.94 4.87 0.00 1.28 1.43 0.92 0.65 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 89 I 8.27 4.60 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 1.35 1.05 0.90 0.00 0.00 90 L 8.39 4.33 0.00 1.83 1.65 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.66 4.33 0.00 1.97 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 2.34 2.27 0.00 92 N 8.49 4.38 0.00 2.83 2.88 0.00 0.00 7.05 7.89 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 93 H 8.10 4.58 0.00 2.91 1.81 0.00 5.89 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.75 4.66 0.00 2.86 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 95 N 8.54 5.14 0.00 2.64 2.68 0.00 0.00 6.91 8.38 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 96 T 8.32 3.98 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 1.10 0.00 0.00 97 Y 7.74 4.96 0.00 2.74 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 98 A 7.96 4.06 1.19 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 0.00 0.00 0.00 99 S 9.64 5.00 0.00 4.23 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 0.00 100 A 8.22 4.28 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.18 3.76 0.00 1.84 1.80 0.00 1.60 0.00 0.00 1.76 0.00 0.00 3.27 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.55 7.81 102 W 8.01 4.86 0.00 3.26 3.02 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 0.00 103 T 8.42 3.35 4.31 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 1.47 0.00 0.00 104 H 7.65 4.64 0.00 3.38 3.42 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.16 4.38 0.00 3.87 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 *109 M 7.73 4.46 0.00 2.30 2.34 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.78 0.00 110 F 8.72 5.44 0.00 2.86 2.99 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 0.00 0.00 0.00 111 V 7.73 4.60 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 0.77 0.00 0.00 0.60 0.00 0.00 112 A 8.62 4.81 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 0.00 113 L 7.70 5.17 0.00 1.43 1.38 1.08 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 114 N 9.17 4.44 0.00 2.65 2.75 0.00 0.00 6.93 6.21 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 0.00 115 Q 8.62 4.11 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 116 K 8.06 4.41 0.00 1.77 1.70 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 0.99 7.81 117 G 8.53 2.46 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 0.00 118 L 7.35 4.36 0.00 1.43 1.41 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.63 0.00 2.08 2.10 0.00 3.69 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.08 0.00 120 V 8.52 4.09 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 0.69 0.00 0.00 0.98 0.00 0.00 121 K 8.47 4.36 0.00 1.72 1.68 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.41 1.00 7.81 122 G 8.98 4.46 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 0.00 123 K 8.05 3.98 0.00 1.72 1.89 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 124 K 8.29 4.36 0.00 1.72 1.79 0.00 1.56 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.44 7.81 125 T 7.38 4.05 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 1.28 0.00 0.00 126 K 8.51 4.53 0.00 1.67 1.65 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.21 7.81 127 K 7.97 4.18 0.00 1.61 1.69 0.00 1.92 0.00 0.00 2.16 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.57 7.81 128 E 8.97 3.92 0.00 2.17 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 2.18 2.38 0.00 129 Q 7.34 4.35 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 130 K 8.33 3.69 0.00 1.51 1.43 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.80 1.17 7.81 131 T 7.50 4.24 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 0.00 132 A 7.47 4.57 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 0.00 133 H 7.35 4.53 0.00 2.32 1.71 0.00 5.72 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.06 4.71 0.00 3.40 3.08 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 0.00 0.00 0.00 135 L 9.50 5.00 0.00 1.97 1.88 1.07 1.39 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 0.00 136 P 0.00 4.63 0.00 2.06 2.11 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 137 M 8.94 4.42 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.74 0.00 138 A 8.86 4.32 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 0.00 139 I 8.47 3.78 2.00 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 1.29 1.13 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.