NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5637 8.1933 115.4340 57.8194 64.4757 174.4875 1 L 3.9007 8.5112 120.3326 57.0717 41.7446 177.1072 2 Y 4.3787 8.5095 118.8564 60.2061 40.0430 175.4049 3 D 4.8954 8.4674 119.7681 51.2314 41.1923 173.5746 4 P 4.6643 0.0000 0.0000 63.5778 32.0518 177.0202 5 A 5.0073 8.1687 120.8989 51.6836 19.5285 178.2488 6 E 4.3532 8.5839 118.4790 59.8332 29.5925 179.6988 7 K 4.0192 8.2884 117.4659 59.7851 32.5270 177.4714 8 Y 4.0758 8.2363 116.0199 59.3166 38.0223 175.4985 9 F 4.9399 8.2257 118.3596 55.6996 41.4352 174.8542 10 N 5.0470 8.6445 118.8436 52.4409 38.0582 174.1065 11 C 4.4802 8.0347 113.9311 57.6624 31.1789 173.6324 12 T 4.2279 8.5134 111.1150 61.4523 70.4706 175.3121 13 D 4.5324 8.6168 121.6694 57.6208 40.9068 178.9385 14 I 3.8111 7.7998 118.7169 64.1609 38.1305 177.7180 15 Q 4.1399 7.9703 119.1585 59.0538 28.4681 178.8291 16 R 3.7239 8.0474 119.4246 59.2802 29.9870 178.4652 17 A 3.9478 7.8805 120.4051 55.1786 18.3833 179.6183 18 F 4.0116 8.4417 116.3643 60.4822 38.9664 177.6602 19 F 4.3309 8.5230 120.2636 61.6125 39.2991 177.1122 20 E 3.7957 8.6345 118.2916 59.2068 29.2280 179.2559 21 A 4.0676 8.2248 121.1278 54.8308 18.3465 179.9220 22 G 3.4800 8.0956 104.2418 47.9972 0.0000 175.6287 23 I 3.5642 7.3235 122.9613 64.1118 37.0962 178.5873 24 K 3.9662 7.9549 118.7888 59.4943 31.8603 179.5233 25 L 4.1017 7.9621 119.2969 57.5629 41.6052 179.7209 26 G 3.6401 8.3008 105.5634 47.7342 0.0000 175.3679 27 A 4.0045 8.3505 124.0843 54.9475 18.3954 179.7415 28 I 3.9743 8.0130 118.2041 64.6416 37.3453 178.4361 29 F 4.0767 8.3076 121.3797 61.7335 39.0414 176.6906 30 H 4.3140 8.1157 113.8427 57.8769 28.7310 177.2299 31 Q 3.8445 8.1715 121.4544 58.5352 29.1585 176.6281 32 Y 4.6372 7.6482 116.2961 57.5476 39.1141 176.0878 33 T 4.0033 6.6741 109.8325 63.0864 69.0950 174.4160 34 G 4.0308 8.9773 113.5537 45.0322 0.0000 174.0386 35 I 4.0562 7.5538 114.4188 59.9449 38.8747 173.8883 36 P 5.0788 0.0000 0.0000 63.2559 31.8427 175.9677 37 V 4.9534 9.4074 117.5769 59.7819 36.2617 174.3983 38 N 5.1123 9.8433 120.6730 51.5601 40.7882 174.8380 39 S 4.1458 9.0651 112.6169 61.8894 62.5808 175.7260 40 E 4.1677 8.2934 118.4986 57.5015 29.7030 177.3849 41 N 4.8599 8.1606 114.7780 52.3794 37.6736 176.1923 42 A 3.9778 7.6827 125.0750 55.7458 18.4983 180.1810 43 S 4.2090 8.0220 113.0896 62.0095 62.8957 176.4353 44 M 4.0156 8.0541 120.0927 58.5721 32.0001 177.9318 45 A 4.0350 8.3566 121.2200 55.1545 18.5137 179.3495 46 E 3.8679 8.3515 117.1624 59.8479 29.5184 179.6396 47 E 3.9496 8.3610 118.4562 59.0186 29.4552 179.1402 48 F 4.1836 8.4848 121.0722 61.4714 39.4443 177.2736 49 I 2.7477 7.5501 119.2529 63.9200 36.7822 178.1669 50 E 3.8366 8.1067 119.4254 59.6900 29.1467 179.8130 51 R 3.9089 7.8608 116.6574 59.1964 30.2540 179.1076 52 S 4.1514 7.7887 114.9807 61.9372 62.8381 176.9139 53 T 3.8546 7.8921 118.4483 66.8124 67.9148 176.6451 54 M 4.1034 7.8671 120.0260 57.8708 32.0151 177.9633 55 I 4.0150 7.2067 111.2377 61.1440 38.2579 176.2142 56 Q 4.1995 7.2873 120.6547 54.4876 29.5010 173.6069 57 P 3.7867 0.0000 0.0000 63.8193 31.7501 176.7733 58 F 4.0590 8.2459 119.3410 58.0602 36.2851 174.3015 59 V 4.3008 7.2963 120.2913 62.3090 31.4940 175.0215 60 E 4.4201 9.3218 129.3563 58.0286 30.6592 175.6317 61 N 5.1096 7.8040 115.7336 52.1402 42.9292 173.2604 62 V 4.9249 8.2015 122.5968 61.2190 35.0304 174.3299 63 R 4.7737 9.1416 127.3625 54.7341 33.0503 173.5926 64 I 4.9367 9.0493 127.4914 59.6874 39.7071 175.3609 65 S 4.8842 9.2225 121.8236 56.8436 66.4500 172.9204 66 I 4.8443 9.5005 126.2708 59.8795 38.5127 174.8517 67 N 4.9209 9.0120 124.4616 50.5122 41.9295 173.9473 68 N 4.1002 8.4550 114.3195 54.4054 36.2089 175.2284 69 V 3.7738 7.3810 115.4251 62.6208 32.8891 174.4613 *76 Y 4.4093 8.0509 122.2758 58.2430 38.7732 175.0760 77 S 4.8437 8.7752 116.5395 57.8314 63.4983 172.8509 78 Y 5.0108 7.3667 116.7111 57.0092 40.5425 173.3455 79 S 4.5496 9.1290 115.7686 56.3932 67.5485 173.6502 80 S 4.7218 8.3968 118.0988 58.0062 63.5591 173.8899 81 L 4.0174 9.1660 127.9921 55.9896 43.0107 175.7446 82 N 5.2855 8.5293 122.8262 50.3690 40.5729 175.1491 83 E 4.1709 8.7608 116.1505 59.1379 29.6028 178.3616 84 K 3.4716 7.9056 117.7662 57.9263 32.5095 177.5979 85 M 4.3064 8.0092 118.2146 55.9237 32.8121 175.2219 86 L 4.7985 7.8079 120.8704 53.9287 43.2497 175.2218 87 H 5.3036 9.3608 126.3509 54.3783 33.0662 172.2427 88 A 5.1065 8.6955 125.6946 50.2984 23.0403 174.6953 89 E 4.8980 9.2463 120.7130 54.5758 33.1163 175.1726 90 V 4.5448 8.9800 125.8024 60.8687 34.3110 174.1359 91 L 4.8125 9.0262 131.8597 54.2555 43.2117 175.1553 92 I 4.8375 8.7546 128.4530 59.9964 39.3407 174.6000 93 N 5.3069 9.3001 125.1502 52.1854 41.4108 173.0272 94 Y 4.4209 8.8859 128.6754 56.4536 39.9894 175.2284 95 N 3.9485 9.1807 126.6854 54.2184 36.7530 175.9608 96 G 3.9338 8.3527 105.7435 45.3516 0.0000 174.4823 97 K 4.2956 7.9461 120.6183 55.5895 33.0505 175.6649 98 K 5.1208 8.5285 122.7201 54.5430 35.4088 175.2166 99 V 4.4981 8.5647 123.9353 60.9364 35.0115 173.7619 100 L 4.7819 8.8082 130.9729 53.8924 43.2229 175.2947 101 G 4.1681 8.9708 115.2071 45.0779 0.0000 172.0896 102 V 4.7380 8.5399 123.3649 60.5751 35.1321 173.6667 103 L 5.0307 8.7461 130.0957 53.3474 44.3083 174.5830 104 N 5.3661 9.3003 125.0280 52.1684 42.7982 172.5483 105 Y 4.5327 8.9673 127.8409 57.6629 40.5669 173.3575 106 D 4.7664 8.3559 127.5457 52.6441 42.1060 176.9098 107 E 4.1349 9.0364 126.9718 59.2987 30.0899 178.9035 108 G 3.7750 8.2751 106.9451 48.6880 0.0000 174.7025 109 L 3.9721 8.5186 118.8952 54.7867 42.3989 176.3147 110 D 4.2551 7.4015 116.8630 53.1335 39.9562 172.5028 111 Y 4.7383 6.1542 118.5750 55.9155 42.9694 172.6812 112 P 4.6973 0.0000 0.0000 61.9954 31.3143 175.1136 113 V 3.9665 8.5667 127.5634 63.3528 32.7770 174.2380 114 M 5.2808 8.7745 127.6713 53.8539 33.9320 174.6437 115 Y 5.1695 8.8199 120.8700 55.7672 42.4611 173.6671 116 A 5.5857 8.5165 119.2472 51.1692 22.3428 175.8254 117 K 4.8908 8.3929 118.4997 54.3188 36.9295 175.4839 118 E 4.3873 9.0920 124.4905 56.6440 30.3962 175.9123 119 V 4.6056 8.3854 118.5633 59.6231 36.2905 175.8360 120 L 4.2492 8.3557 119.9925 55.1892 41.7432 176.9431 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 S 8.19 4.56 0.00 4.15 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 1 L 8.51 3.90 0.00 1.82 1.83 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 2 Y 8.51 4.38 0.00 2.90 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 3 D 8.47 4.90 0.00 2.86 2.71 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 0.00 0.00 0.00 4 P 0.00 4.66 0.00 2.16 2.18 0.00 3.81 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 5 A 8.17 5.01 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 6 E 8.58 4.35 0.00 2.36 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 2.55 2.39 0.00 7 K 8.29 4.02 0.00 1.83 2.02 0.00 1.46 0.00 0.00 1.69 0.00 0.00 2.51 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.28 1.05 7.81 8 Y 8.24 4.08 0.00 2.87 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 9 F 8.23 4.94 0.00 3.10 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 10 N 8.64 5.05 0.00 2.77 2.86 0.00 0.00 6.11 7.68 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 11 C 8.03 4.48 0.00 3.36 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 12 T 8.51 4.23 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 1.23 0.00 0.00 13 D 8.62 4.53 0.00 2.79 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 14 I 7.80 3.81 1.97 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 1.85 1.62 1.00 0.00 0.00 15 Q 7.97 4.14 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 16 R 8.05 3.72 0.00 1.40 1.63 0.00 2.69 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.52 0.00 17 A 7.88 3.95 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 18 F 8.44 4.01 0.00 3.28 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 19 F 8.52 4.33 0.00 3.21 3.28 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 20 E 8.63 3.80 0.00 1.99 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 2.50 2.42 0.00 21 A 8.22 4.07 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 22 G 8.10 3.48 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 23 I 7.32 3.56 1.80 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.03 0.81 0.00 0.00 24 K 7.95 3.97 0.00 1.91 1.84 0.00 1.49 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.51 7.81 25 L 7.96 4.10 0.00 1.70 1.70 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.30 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 27 A 8.35 4.00 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 28 I 8.01 3.97 2.04 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 1.55 0.73 1.04 0.00 0.00 29 F 8.31 4.08 0.00 3.21 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 30 H 8.12 4.31 0.00 3.34 3.35 0.00 5.70 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.17 3.84 0.00 1.72 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.78 0.00 0.00 0.00 0.00 0.00 1.67 1.33 0.00 32 Y 7.65 4.64 0.00 3.16 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 33 T 6.67 4.00 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 0.73 0.00 0.00 34 G 8.98 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 0.00 0.00 0.00 35 I 7.55 4.06 1.89 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 1.55 0.86 1.12 0.00 0.00 36 P 0.00 5.08 0.00 1.95 2.01 0.00 3.68 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 1.88 1.90 0.00 37 V 9.41 4.95 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 0.78 0.00 0.00 1.04 0.00 0.00 38 N 9.84 5.11 0.00 2.80 3.10 0.00 0.00 6.65 7.85 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 39 S 9.07 4.15 0.00 4.00 4.08 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 40 E 8.29 4.17 0.00 2.10 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 2.31 2.30 0.00 41 N 8.16 4.86 0.00 2.86 2.98 0.00 0.00 6.68 8.19 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 42 A 7.68 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.02 4.21 0.00 3.88 3.93 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 44 M 8.05 4.02 0.00 2.18 2.05 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 2.66 2.59 0.00 45 A 8.36 4.03 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 46 E 8.35 3.87 0.00 2.21 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 2.39 2.51 0.00 47 E 8.36 3.95 0.00 2.04 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 0.00 2.33 2.54 0.00 48 F 8.48 4.18 0.00 3.07 3.25 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 49 I 7.55 2.75 1.68 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.24 0.31 0.00 0.00 50 E 8.11 3.84 0.00 2.09 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 2.32 2.40 0.00 51 R 7.86 3.91 0.00 1.70 1.95 0.00 3.19 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.92 0.00 52 S 7.79 4.15 0.00 3.51 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 53 T 7.89 3.85 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 1.18 0.00 0.00 54 M 7.87 4.10 0.00 1.97 2.24 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 2.60 2.77 0.00 55 I 7.21 4.01 1.83 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 1.75 0.49 0.94 0.00 0.00 56 Q 7.29 4.20 0.00 2.25 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 57 P 0.00 3.79 0.00 1.44 0.99 0.00 3.63 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 58 F 8.25 4.06 0.00 3.33 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 59 V 7.30 4.30 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 0.74 0.00 0.00 1.01 0.00 0.00 60 E 9.32 4.42 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 2.27 2.26 0.00 61 N 7.80 5.11 0.00 2.75 2.56 0.00 0.00 6.56 7.71 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 62 V 8.20 4.92 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 0.77 0.00 0.00 0.89 0.00 0.00 63 R 9.14 4.77 0.00 1.89 1.71 0.00 3.33 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 64 I 9.05 4.94 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.89 0.92 0.00 0.00 65 S 9.22 4.88 0.00 3.73 3.72 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 66 I 9.50 4.84 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 0.59 0.92 0.00 0.00 67 N 9.01 4.92 0.00 2.56 2.73 0.00 0.00 7.26 7.64 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 68 N 8.45 4.10 0.00 2.79 2.82 0.00 0.00 6.84 7.68 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 69 V 7.38 3.77 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 0.83 0.00 0.00 0.94 0.00 0.00 *76 Y 8.05 4.41 0.00 2.93 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 77 S 8.78 4.84 0.00 4.03 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 78 Y 7.37 5.01 0.00 3.11 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 79 S 9.13 4.55 0.00 3.67 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 80 S 8.40 4.72 0.00 3.70 3.79 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 0.00 0.00 0.00 81 L 9.17 4.02 0.00 1.84 1.59 0.93 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.53 5.29 0.00 2.75 2.82 0.00 0.00 5.97 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 83 E 8.76 4.17 0.00 2.47 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 0.00 2.21 2.20 0.00 84 K 7.91 3.47 0.00 1.64 1.53 0.00 1.49 0.00 0.00 1.46 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.30 0.90 7.81 85 M 8.01 4.31 0.00 2.15 2.18 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 2.68 2.56 0.00 86 L 7.81 4.80 0.00 1.65 1.64 0.95 0.95 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 87 H 9.36 5.30 0.00 3.31 3.28 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.70 5.11 1.17 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 89 E 9.25 4.90 0.00 1.97 1.80 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 2.18 2.19 0.00 90 V 8.98 4.54 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 0.92 0.00 0.00 0.89 0.00 0.00 91 L 9.03 4.81 0.00 1.74 1.71 0.94 1.05 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 92 I 8.75 4.84 1.91 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 1.07 0.81 1.01 0.00 0.00 93 N 9.30 5.31 0.00 2.87 2.77 0.00 0.00 6.95 7.69 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 94 Y 8.89 4.42 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 95 N 9.18 3.95 0.00 2.69 2.72 0.00 0.00 7.15 7.68 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 96 G 8.35 3.93 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 0.00 0.00 0.00 97 K 7.95 4.30 0.00 2.00 1.79 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.68 7.81 98 K 8.53 5.12 0.00 1.83 1.65 0.00 1.60 0.00 0.00 1.85 0.00 0.00 2.75 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.39 7.81 99 V 8.56 4.50 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 0.28 0.00 0.00 0.15 0.00 0.00 100 L 8.81 4.78 0.00 1.75 1.48 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.97 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 0.00 102 V 8.54 4.74 0.67 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 0.82 0.00 0.00 0.62 0.00 0.00 103 L 8.75 5.03 0.00 1.73 1.45 0.91 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 104 N 9.30 5.37 0.00 2.96 2.79 0.00 0.00 6.41 7.11 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 0.00 105 Y 8.97 4.53 0.00 3.38 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 0.00 106 D 8.36 4.77 0.00 2.67 2.48 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 0.00 107 E 9.04 4.13 0.00 2.07 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 0.00 2.58 2.38 0.00 108 G 8.28 3.78 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 0.00 0.00 0.00 109 L 8.52 3.97 0.00 1.56 1.69 0.88 0.99 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 0.00 110 D 7.40 4.26 0.00 2.84 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 0.00 111 Y 6.15 4.74 0.00 3.11 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.70 0.00 1.72 2.24 0.00 2.33 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 2.01 0.00 113 V 8.57 3.97 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 1.15 0.00 0.00 1.03 0.00 0.00 114 M 8.77 5.28 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 115 Y 8.82 5.17 0.00 3.06 3.01 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 0.00 116 A 8.52 5.59 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 0.00 117 K 8.39 4.89 0.00 1.73 1.73 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.65 7.81 118 E 9.09 4.39 0.00 2.14 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 2.32 2.56 0.00 119 V 8.39 4.61 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 0.90 0.00 0.00 120 L 8.36 4.25 0.00 1.63 1.57 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.