NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 A 4.3147 8.2649 123.5821 51.9385 19.0878 175.2336 12 E 4.5975 7.9766 119.8879 54.1439 32.1090 173.3262 13 E 4.6840 8.1496 120.1821 56.7107 31.9869 176.3502 14 S 4.2627 8.2009 112.5124 59.0105 63.5413 173.4417 15 R 4.7518 7.3604 119.2178 53.9949 32.7565 175.1959 16 V 4.2953 8.2011 124.9631 60.8492 34.0863 171.1387 17 P 4.9800 0.0000 0.0000 61.8918 31.9760 175.5468 18 S 4.8171 8.5712 117.4499 56.6233 66.8480 172.9274 19 S 5.2056 8.5224 116.8078 57.2875 65.3079 173.5031 20 V 4.5385 8.6579 121.9152 61.3328 35.2317 172.0338 21 S 4.9790 8.4755 114.3354 56.1695 65.3998 175.6564 22 V 3.7581 8.1153 122.2896 65.2105 30.4793 178.9216 23 T 3.8429 7.7880 109.4604 65.0524 69.1506 176.2447 24 V 3.7431 7.4297 121.7107 65.0918 31.4528 177.7435 25 A 4.0808 8.2355 120.6214 55.3230 18.1271 178.8410 26 H 4.1282 8.5478 117.1154 59.6673 29.6485 176.6794 27 D 4.3237 7.7503 117.7181 57.6173 41.2172 178.1114 28 L 4.1639 7.7827 118.8292 57.5231 41.6392 178.8388 29 L 3.8900 8.8106 121.6186 58.2835 41.7295 179.1468 30 L 3.9270 7.8701 117.5207 57.4365 41.5491 179.0284 31 A 4.0628 7.9250 120.4994 52.9413 18.9477 177.3127 32 G 3.6568 8.2025 104.9188 46.7337 0.0000 173.0217 33 H 5.0484 7.4830 113.7170 53.2908 31.8859 175.4641 34 R 4.0336 8.4827 121.2403 56.9478 31.3204 174.8271 35 Y 4.5046 8.6457 124.5107 55.8362 41.1524 173.6112 36 L 5.2673 8.5758 130.0626 52.9835 44.0993 174.6932 37 D 5.1351 8.3288 124.1081 51.6687 45.2746 174.4049 38 V 4.4254 8.1221 117.0130 58.7150 33.0376 175.1209 39 R 4.0978 9.3804 126.3652 57.4791 30.3418 177.2469 40 T 4.1830 7.6004 112.3103 62.4087 71.9374 171.7935 41 P 4.4183 0.0000 0.0000 66.1758 31.9288 178.4521 42 E 4.0448 8.2512 117.0160 59.2581 28.9259 178.6414 43 E 3.8336 9.3529 120.2158 59.1698 29.4947 178.8274 44 F 4.0019 8.2476 120.7756 61.2719 39.2946 177.0122 45 S 4.1606 7.8378 111.0909 61.5749 62.1012 175.9516 46 Q 4.1278 7.4237 120.0251 60.4120 28.9733 174.9849 47 G 3.6677 7.3218 105.1399 44.7860 0.0000 170.9247 48 H 4.9494 8.3767 120.0007 54.7212 31.0039 173.3076 49 A 4.6779 7.6865 121.8677 51.5840 22.2928 175.9965 50 C 4.8516 8.0498 120.0515 59.1111 30.6647 173.2009 51 G 3.9475 10.0317 115.7407 45.6873 0.0000 171.8635 52 A 4.2138 7.6994 120.4442 50.5627 22.8638 176.1743 53 I 4.4349 8.5775 124.4906 60.0834 38.7494 174.5038 54 N 5.4495 8.7742 125.1165 51.6629 40.0443 174.9247 55 V 4.6914 8.8198 116.8054 58.6430 36.8436 173.7987 56 P 4.3693 0.0000 0.0000 62.5856 29.2068 174.1793 57 Y 3.7910 6.5384 116.9872 58.3748 38.0035 170.0134 58 M 4.8273 7.9174 121.0700 53.9974 35.1556 174.9328 59 N 4.7301 8.2782 120.4555 52.0004 42.4737 173.8054 60 R 3.9737 8.5205 126.9047 56.4040 31.2663 175.6761 61 G 4.1148 7.9804 110.6638 46.2969 0.0000 173.4158 62 A 4.2794 9.0008 121.8967 53.5920 18.2072 178.6001 63 S 4.1395 7.7972 110.4143 59.3420 62.5027 174.3814 64 G 3.9644 8.0205 108.8301 46.2148 0.0000 171.1199 65 M 2.6809 8.0605 122.9497 55.1450 31.0457 177.1602 66 S 3.1949 7.4840 116.8854 57.1427 64.4965 172.4485 67 K 4.4467 7.5066 127.5464 54.0120 34.5913 173.2650 68 N 4.2981 8.9067 127.9175 54.6880 38.4554 172.5443 69 T 4.8932 8.5400 120.3119 64.2891 76.4400 174.2621 70 D 4.7646 8.0514 116.5439 53.1407 44.7538 176.9836 71 F 4.0168 8.3521 118.6524 60.3667 38.1768 177.1132 72 L 4.1214 8.2271 118.6330 57.9212 41.1774 179.0781 73 E 4.1948 8.1772 116.3402 59.5981 29.5811 179.0654 74 Q 4.1424 7.8716 118.4851 58.4926 28.9220 178.5306 75 V 3.7211 9.5277 119.1206 66.1929 31.5747 178.0091 76 S 4.0860 9.1485 111.7952 60.4989 62.1706 175.4453 77 S 4.2971 7.3535 116.5429 62.1980 62.4481 174.4931 78 H 4.6524 7.5068 114.9856 55.3975 31.5838 173.1474 79 F 4.7402 9.4274 121.9102 56.3290 42.4208 173.7868 80 G 3.9867 7.1709 114.0010 43.1037 0.0000 174.1382 81 Q 3.7741 8.6890 121.7050 58.6953 28.3153 177.7293 82 S 4.5112 7.2637 110.9144 57.5874 63.0627 172.4461 83 D 3.7737 8.3871 118.7422 53.6401 38.9610 176.4527 84 N 4.0432 9.3192 125.4111 53.8611 37.2319 171.4158 85 I 4.6207 6.7941 119.8914 60.3536 43.4411 175.4634 86 I 4.6577 7.9959 122.3571 60.1044 38.4552 175.5307 87 V 5.0858 8.4531 128.4493 60.6497 34.4221 174.6862 88 G 4.6003 7.9780 109.1915 45.4339 0.0000 171.6737 89 C 4.5733 8.5546 124.2827 57.6496 33.2790 173.9490 90 Q 3.9893 8.8572 125.9359 58.9095 28.7523 177.2159 91 S 4.9828 7.8787 111.4639 56.7380 64.9967 172.8731 92 G 4.0906 8.0802 110.2138 44.2306 0.0000 170.8399 93 G 4.0998 8.2406 108.2210 46.6974 0.0000 176.3986 94 R 3.9107 7.6217 117.6879 58.1899 30.8425 179.0934 95 S 4.3737 7.9619 111.5810 60.3416 63.0760 175.9202 96 I 3.8999 8.0548 122.0724 63.7271 37.0128 177.9559 97 K 4.1849 8.1667 120.4779 59.1708 32.4094 179.0780 98 A 3.9533 7.5560 121.0888 55.1351 18.1195 179.6470 99 T 3.5827 8.3070 108.8051 65.1503 68.2104 176.7631 100 T 3.7496 7.5003 118.6512 66.5073 68.0009 176.1473 101 D 4.4458 7.7276 120.3150 57.4778 40.8110 178.9264 102 L 4.0065 7.5481 118.9410 57.4142 41.4000 178.9043 103 L 4.1249 8.0058 120.0798 58.6981 42.0150 178.5064 104 H 4.3760 7.7579 114.7360 58.7945 28.7142 177.2838 105 A 4.3738 7.4514 120.1346 52.1556 19.3254 177.0170 106 G 4.0418 7.3388 106.8389 46.0205 0.0000 173.8366 107 F 4.4968 8.0017 130.0049 57.4689 40.0135 171.6120 108 T 4.5855 7.3297 117.4399 60.8984 71.1676 173.7659 109 G 3.7073 9.6418 107.4722 46.4659 0.0000 172.8672 110 V 4.8106 7.2928 110.0483 59.8638 36.8129 173.8000 111 K 4.6516 8.9979 121.6779 54.5614 34.4279 175.8629 112 D 5.1779 9.6373 125.5317 53.3440 42.2317 175.8536 113 I 4.7815 9.8632 125.0720 59.9549 39.6224 175.0812 114 V 4.2780 8.1450 123.8273 62.5326 32.6057 175.5373 115 G 4.3452 8.3015 116.2030 45.9341 0.0000 169.2845 116 G 3.9592 9.2329 112.0906 45.0489 0.0000 174.4653 117 Y 4.1285 7.5773 122.4562 60.6166 39.3143 177.3363 118 S 4.2180 8.3396 112.0658 61.3681 62.7176 175.7374 119 A 4.1192 7.9550 122.7285 55.0714 18.5033 179.1789 120 W 4.0874 8.9494 127.0341 60.6653 29.0862 177.9764 121 A 3.6944 8.9852 121.5941 54.6443 17.4272 179.3486 122 K 4.0296 7.8593 117.9752 59.9926 32.2038 177.7333 123 N 4.1178 7.4738 116.0412 55.2046 38.6628 176.9628 124 G 4.0867 7.5141 105.6279 46.1007 0.0000 174.1949 125 L 4.5101 7.4860 119.5474 51.4371 41.9437 171.8804 126 P 4.9278 0.0000 0.0000 61.3499 32.6442 176.2510 127 T 4.4186 8.3176 120.8276 62.0006 69.6736 174.1738 128 K 4.2533 8.1675 122.9920 56.5964 34.5676 174.6519 *129 A 4.0955 8.5903 121.2635 52.5287 18.7900 176.6048 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 A 8.26 4.31 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 12 E 7.98 4.60 0.00 2.03 1.86 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 2.22 2.34 0.00 13 E 8.15 4.68 0.00 1.95 1.83 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 2.28 2.28 0.00 14 S 8.20 4.26 0.00 3.91 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 15 R 7.36 4.75 0.00 1.76 1.84 0.00 3.08 0.00 0.00 2.98 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.35 0.00 16 V 8.20 4.30 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 1.06 0.00 0.00 0.99 0.00 0.00 17 P 0.00 4.98 0.00 2.13 2.08 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 18 S 8.57 4.82 0.00 3.99 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 19 S 8.52 5.21 0.00 3.75 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 20 V 8.66 4.54 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 0.76 0.00 0.00 0.98 0.00 0.00 21 S 8.48 4.98 0.00 3.92 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 0.00 22 V 8.12 3.76 2.37 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 0.91 0.00 0.00 0.97 0.00 0.00 23 T 7.79 3.84 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 1.24 0.00 0.00 24 V 7.43 3.74 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 0.98 0.00 0.00 0.96 0.00 0.00 25 A 8.24 4.08 1.52 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 0.00 0.00 26 H 8.55 4.13 0.00 3.42 3.58 0.00 5.80 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.75 4.32 0.00 2.74 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 28 L 7.78 4.16 0.00 1.98 1.77 1.01 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.81 3.89 0.00 1.60 1.72 0.46 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.87 3.93 0.00 1.80 1.69 0.63 0.66 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 31 A 7.93 4.06 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 32 G 8.20 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 7.48 5.05 0.00 3.17 3.20 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.48 4.03 0.00 1.77 1.87 0.00 3.09 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 35 Y 8.65 4.50 0.00 2.91 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 36 L 8.58 5.27 0.00 1.59 1.44 0.84 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.33 5.14 0.00 2.91 2.50 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 0.00 0.00 0.00 0.00 38 V 8.12 4.43 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 0.22 0.00 0.00 0.66 0.00 0.00 39 R 9.38 4.10 0.00 1.55 1.80 0.00 2.95 0.00 0.00 2.69 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 40 T 7.60 4.18 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 1.23 0.00 0.00 41 P 0.00 4.42 0.00 2.18 2.14 0.00 3.61 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 2.14 2.18 0.00 42 E 8.25 4.04 0.00 1.99 2.00 0.00 0.00 0.00 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 2.37 0.00 43 E 9.35 3.83 0.00 1.87 1.92 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 2.18 1.84 0.00 44 F 8.25 4.00 0.00 3.18 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 45 S 7.84 4.16 0.00 4.01 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 46 Q 7.42 4.13 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.01 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 47 G 7.32 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 8.38 4.95 0.00 3.33 3.28 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.69 4.68 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 50 C 8.05 4.85 0.00 3.01 3.09 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 51 G 10.03 3.95 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 0.00 0.00 0.00 52 A 7.70 4.21 0.63 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 0.00 0.00 53 I 8.58 4.43 2.08 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 1.23 1.07 0.95 0.00 0.00 54 N 8.77 5.45 0.00 2.65 3.04 0.00 0.00 7.07 7.86 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 55 V 8.82 4.69 2.27 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 0.92 0.00 0.00 0.96 0.00 0.00 56 P 0.00 4.37 0.00 2.18 2.06 0.00 3.89 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 1.78 1.91 0.00 57 Y 6.54 3.79 0.00 3.23 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 58 M 7.92 4.83 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 59 N 8.28 4.73 0.00 2.41 2.57 0.00 0.00 6.10 5.61 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 60 R 8.52 3.97 0.00 1.78 1.74 0.00 3.33 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 61 G 7.98 4.11 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 0.00 0.00 0.00 62 A 9.00 4.28 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 63 S 7.80 4.14 0.00 3.84 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 0.00 64 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 65 M 8.06 2.68 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 66 S 7.48 3.19 0.00 3.59 3.51 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 67 K 7.51 4.45 0.00 1.66 1.71 0.00 1.81 0.00 0.00 1.54 0.00 0.00 2.72 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.47 7.81 68 N 8.91 4.30 0.00 2.81 2.85 0.00 0.00 7.04 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 T 8.54 4.89 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 1.24 0.00 0.00 70 D 8.05 4.76 0.00 2.69 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 71 F 8.35 4.02 0.00 3.11 3.19 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 72 L 8.23 4.12 0.00 1.72 1.79 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.18 4.19 0.00 2.11 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 2.45 2.34 0.00 74 Q 7.87 4.14 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 75 V 9.53 3.72 2.27 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 1.25 0.00 0.00 1.03 0.00 0.00 76 S 9.15 4.09 0.00 3.96 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 77 S 7.35 4.30 0.00 4.07 4.22 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 0.00 0.00 0.00 0.00 78 H 7.51 4.65 0.00 3.15 3.34 0.00 5.85 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 F 9.43 4.74 0.00 2.89 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 80 G 7.17 3.99 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 0.00 0.00 0.00 81 Q 8.69 3.77 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 8.08 0.00 0.00 0.00 0.00 0.00 2.01 2.32 0.00 82 S 7.26 4.51 0.00 3.53 3.62 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 83 D 8.39 3.77 0.00 1.94 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 0.00 0.00 0.00 84 N 9.32 4.04 0.00 2.66 2.79 0.00 0.00 6.99 7.76 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 85 I 6.79 4.62 1.86 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 1.30 0.48 0.89 0.00 0.00 86 I 8.00 4.66 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.96 0.94 0.00 0.00 87 V 8.45 5.09 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 1.04 0.00 0.00 0.93 0.00 0.00 88 G 7.98 4.60 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 0.00 0.00 0.00 89 C 8.55 4.57 0.00 3.04 2.80 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 0.00 0.00 0.00 90 Q 8.86 3.99 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.62 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 91 S 7.88 4.98 0.00 3.90 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 92 G 8.08 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 93 G 8.24 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 94 R 7.62 3.91 0.00 1.89 1.99 0.00 3.13 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 95 S 7.96 4.37 0.00 3.87 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 96 I 8.05 3.90 1.97 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 1.33 1.51 0.90 0.00 0.00 97 K 8.17 4.18 0.00 1.92 2.06 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.70 1.29 7.81 98 A 7.56 3.95 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 99 T 8.31 3.58 4.21 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 1.01 0.00 0.00 100 T 7.50 3.75 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 1.18 0.00 0.00 101 D 7.73 4.45 0.00 2.77 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 0.00 102 L 7.55 4.01 0.00 1.29 1.44 0.22 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.01 4.12 0.00 1.55 1.70 0.99 1.08 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 0.00 104 H 7.76 4.38 0.00 3.37 3.32 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.45 4.37 1.33 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 0.00 0.00 0.00 106 G 7.34 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 0.00 107 F 8.00 4.50 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 0.00 108 T 7.33 4.59 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 1.18 0.00 0.00 109 G 9.64 3.71 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 0.00 0.00 0.00 110 V 7.29 4.81 1.99 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 0.70 0.00 0.00 1.04 0.00 0.00 111 K 9.00 4.65 0.00 1.65 1.71 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.22 7.81 112 D 9.64 5.18 0.00 2.68 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 0.00 113 I 9.86 4.78 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.55 1.05 0.00 0.00 114 V 8.14 4.28 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 1.06 0.00 0.00 0.95 0.00 0.00 115 G 8.30 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 0.00 0.00 0.00 0.00 116 G 9.23 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 0.00 117 Y 7.58 4.13 0.00 3.39 3.10 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 0.00 118 S 8.34 4.22 0.00 4.03 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 0.00 119 A 7.96 4.12 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 0.00 120 W 8.95 4.09 0.00 3.33 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 0.00 121 A 8.99 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 7.86 4.03 0.00 1.67 1.89 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.44 7.81 123 N 7.47 4.12 0.00 2.36 2.36 0.00 0.00 5.47 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 0.00 124 G 7.51 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 0.00 125 L 7.49 4.51 0.00 1.35 1.44 0.72 0.87 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 0.00 126 P 0.00 4.93 0.00 2.24 2.15 0.00 3.74 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 1.94 1.97 0.00 127 T 8.32 4.42 4.51 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 1.25 0.00 0.00 128 K 8.17 4.25 0.00 1.78 1.89 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.18 1.39 7.81 *129 A 8.59 4.10 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 * Residues marked with a * may have inaccurate shift predictions.