NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 V 4.1112 8.0549 117.8970 60.5914 32.9947 174.3542 4 I 4.3681 8.2365 127.1358 57.0185 38.8706 175.0514 5 N 5.0589 8.6589 119.9971 53.0188 39.2831 173.4021 6 T 4.7545 7.7674 109.4785 60.4062 72.1723 174.5247 7 L 3.9405 8.4533 124.4797 58.9983 42.0694 179.3635 8 D 4.5199 8.1517 118.0838 56.9364 41.0160 178.9063 9 G 3.6222 8.0172 106.0461 47.9260 0.0000 176.0510 10 V 3.6517 8.3548 121.5864 65.2374 31.4221 177.5208 11 A 4.0432 8.1239 120.6590 55.7059 18.2230 179.3569 12 D 4.2692 8.2922 116.7443 57.5793 40.7743 178.3287 13 Y 3.9927 7.9348 119.5468 60.7093 38.7537 178.0917 14 L 3.8792 8.0254 119.6701 58.1773 41.5844 179.6292 15 Q 3.7664 7.4483 116.1015 58.8550 28.6349 178.6255 16 T 3.6611 6.9811 114.8437 65.2929 68.5426 175.9727 17 Y 4.2185 7.4200 116.4791 56.7067 38.5196 175.8257 18 H 2.9328 7.3520 116.4291 55.7621 26.8288 174.3156 19 K 4.4043 6.7938 111.9333 56.3013 35.3309 174.4109 20 L 4.1495 8.4468 119.7442 53.6275 42.3497 175.7203 21 P 4.0194 0.0000 0.0000 61.7452 31.7130 177.3730 22 D 4.5252 8.6112 120.9424 56.4844 41.0414 176.9993 23 N 4.5761 7.9676 116.1725 53.0521 38.2146 173.4882 24 Y 5.2204 7.6101 118.2319 56.8085 40.3755 174.7513 25 I 5.0405 8.5383 116.1707 59.4517 41.6954 174.8579 26 T 4.5109 9.6569 115.6649 61.0807 70.1751 175.3678 27 K 4.0661 9.4922 125.0325 60.5863 32.0780 179.5673 *28 S 4.1881 8.1664 118.3717 63.0672 62.0015 178.2394 29 E 4.1702 7.8045 120.0422 59.4397 29.5123 178.8636 30 A 4.1587 8.1082 120.6864 55.3749 18.5625 179.3735 31 Q 4.1111 8.5910 116.3728 59.4940 28.7143 179.5108 32 A 4.1788 8.0513 119.3495 54.1948 18.4691 178.5737 33 L 4.4765 7.7586 116.0007 54.0771 42.3233 177.1476 34 G 4.1566 7.6413 106.5272 44.8876 0.0000 173.8930 35 W 4.4854 8.1586 129.8363 56.8824 31.4118 175.6570 36 V 3.7687 8.7769 124.8441 60.4784 31.8874 175.6327 37 A 3.7239 7.4045 131.4911 55.2922 18.2725 179.2823 38 S 4.4918 7.8046 109.4664 60.3263 63.1719 175.0102 39 K 4.2039 8.0364 119.1843 55.6745 32.6533 176.8092 40 G 3.0976 7.5007 106.5422 46.5322 0.0000 174.0707 41 N 4.8465 8.0262 114.0535 52.3722 38.1652 176.3985 42 L 3.8962 8.4511 122.3293 59.0194 41.7838 178.4915 43 A 4.2327 8.3094 120.0042 55.2518 17.8800 179.3348 44 D 4.3254 7.7583 116.6859 57.8576 41.1103 178.9843 45 V 3.9695 7.7580 110.5871 62.7389 33.3475 176.5289 46 A 4.6604 8.5245 121.1780 48.8316 18.7025 172.6165 47 P 4.4240 0.0000 0.0000 63.1016 31.9899 178.0307 48 G 3.8691 9.0239 109.8690 45.1453 0.0000 172.7496 49 K 4.8231 7.4091 117.9475 54.7967 34.3980 175.9843 50 S 4.5193 8.2933 117.5893 56.5034 67.5824 173.4176 51 I 4.2911 7.9040 122.9094 61.3355 38.1859 175.3138 52 G 4.2589 9.0204 110.4771 47.0397 0.0000 173.5645 53 G 4.3648 9.8425 111.9624 44.8427 0.0000 174.1195 54 D 4.7490 8.1152 119.4645 53.7655 42.4038 175.9212 55 I 4.2532 8.3522 121.7177 61.5830 38.0502 175.4293 56 F 4.7928 9.0258 129.0628 56.4345 40.5251 174.9207 57 S 3.9933 8.3707 121.6320 61.1478 62.8429 175.4168 58 N 3.9494 6.5637 120.3032 54.0796 36.6387 176.6974 *59 R 3.9282 7.9632 116.0596 59.3168 29.6398 179.6003 60 E 4.3026 8.2041 115.9746 55.2985 29.4885 176.9095 61 G 4.3209 7.8731 107.0632 46.3675 0.0000 175.2260 62 K 4.0561 7.4908 118.8379 57.4844 32.6062 177.6942 63 L 3.7751 6.7196 118.4385 51.2519 43.2496 174.3414 64 P 4.1496 0.0000 0.0000 62.9528 31.3612 176.7806 65 G 3.9877 8.5970 112.5721 44.4267 0.0000 172.0342 66 K 4.3410 8.1116 120.4505 55.5437 34.3773 173.4655 67 S 4.1783 8.8889 120.3906 60.0201 62.3645 173.9252 68 G 3.8550 8.7404 115.1951 46.3913 0.0000 172.4127 69 R 4.3440 7.7916 119.6192 54.2246 31.5662 175.4477 70 T 4.6655 7.9357 114.4132 59.6108 72.3140 172.6034 71 W 5.0162 8.5922 122.6866 55.2075 31.9301 175.1089 72 R 5.1930 8.7542 122.3060 54.2936 34.3107 173.8345 73 E 5.4612 9.0446 117.1672 54.9376 33.6076 174.4118 74 A 5.0781 9.3030 121.2446 50.5119 22.9955 175.4478 75 D 4.9669 9.3477 120.6899 54.1971 41.9515 176.1754 76 I 4.5864 7.8315 121.4940 60.2023 40.4748 175.0965 77 N 4.2283 9.2710 121.5682 54.3978 36.6632 173.8346 78 Y 4.4297 7.9852 118.2714 57.3419 39.8922 174.6963 79 T 4.2107 7.1317 112.9368 62.8054 71.9516 173.7688 80 S 4.1084 6.9679 112.6850 57.8758 65.7066 175.7462 81 G 3.8402 8.5347 108.1200 45.7719 0.0000 173.4223 82 F 4.4952 8.6724 118.2848 57.4712 39.6474 175.2329 83 R 4.3548 8.7112 122.4271 56.0758 30.8436 177.9919 84 N 4.8048 8.7112 119.8107 52.8820 39.1876 174.9151 85 S 4.3709 8.5854 113.3759 58.6385 64.6584 172.9646 86 D 5.2231 8.8272 122.2771 53.5710 42.5482 175.8079 87 R 4.8686 9.0232 121.0252 54.6405 35.4152 173.5992 88 I 4.9947 9.1700 121.6683 59.2951 40.9666 174.1981 89 L 5.5501 9.2818 129.1085 53.2076 44.2691 174.9709 90 Y 5.6137 9.0829 122.7165 55.2332 41.3129 175.1418 91 S 4.2004 8.2187 116.8260 56.1871 65.2189 175.3767 92 S 3.4283 8.0045 115.8023 60.1372 62.7070 174.7487 93 D 4.4996 7.1079 119.5320 52.4629 39.3189 175.9164 94 W 3.5929 6.3045 116.7191 58.3657 27.2058 174.4867 95 L 4.5025 7.7884 118.1892 54.4695 42.2510 176.1492 96 I 5.5820 8.5820 122.0857 60.0582 41.1077 174.1631 97 Y 5.2978 10.1440 124.1192 56.0472 42.5874 174.2971 98 K 5.2806 9.0988 118.5982 55.6932 36.6022 175.1882 99 T 4.8360 8.7551 115.4010 60.3177 70.8272 174.0438 100 T 4.7617 8.5556 115.4645 60.1127 69.3742 173.8189 101 D 4.5398 7.7683 121.8271 53.3671 39.8414 174.5680 102 H 3.6031 7.9543 110.4354 59.0281 26.2692 175.0034 103 Y 3.2312 7.2924 110.3185 58.9030 36.1265 172.3283 104 Q 4.2615 7.6799 119.7275 58.9005 29.0299 176.7959 105 T 4.7742 7.3280 111.4395 62.1142 72.7852 172.8720 106 F 5.8636 8.5258 121.6041 55.0495 43.2825 174.3250 107 T 4.7457 8.5313 117.0702 61.4596 72.1017 173.1467 108 K 3.4514 8.5125 128.0412 55.9805 32.3169 176.3996 109 I 4.4479 8.2002 119.1962 60.8001 39.7548 175.7832 110 R 4.1794 7.6012 125.2659 56.7257 31.0013 174.5226 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 *3 V 8.05 4.11 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 0.94 0.00 0.00 0.93 0.00 0.00 4 I 8.24 4.37 1.77 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 1.35 1.09 0.95 0.00 0.00 5 N 8.66 5.06 0.00 2.83 2.84 0.00 0.00 6.40 7.22 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 6 T 7.77 4.75 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 1.22 0.00 0.00 7 L 8.45 3.94 0.00 1.80 1.75 0.97 1.23 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 8 D 8.15 4.52 0.00 2.75 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 9 G 8.02 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 0.00 0.00 0.00 10 V 8.35 3.65 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 0.88 0.00 0.00 1.11 0.00 0.00 11 A 8.12 4.04 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 12 D 8.29 4.27 0.00 2.75 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 13 Y 7.93 3.99 0.00 3.23 3.16 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 0.00 14 L 8.03 3.88 0.00 1.97 1.78 0.58 0.33 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 15 Q 7.45 3.77 0.00 1.85 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.50 2.62 0.00 16 T 6.98 3.66 3.22 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 0.52 0.00 0.00 17 Y 7.42 4.22 0.00 2.46 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 18 H 7.35 2.93 0.00 3.13 3.23 0.00 5.89 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 19 K 6.79 4.40 0.00 1.95 1.84 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.49 7.81 20 L 8.45 4.15 0.00 1.66 1.51 0.77 0.40 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 21 P 0.00 4.02 0.00 2.20 1.18 0.00 3.84 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.06 0.00 22 D 8.61 4.53 0.00 2.63 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 23 N 7.97 4.58 0.00 2.87 2.90 0.00 0.00 6.16 7.57 0.00 0.00 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 Y 7.61 5.22 0.00 3.12 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 25 I 8.54 5.04 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.70 0.90 0.00 0.00 26 T 9.66 4.51 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 1.33 0.00 0.00 27 K 9.49 4.07 0.00 2.26 2.02 0.00 1.79 0.00 0.00 1.89 0.00 0.00 3.31 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.96 1.65 7.81 *28 S 8.17 4.19 0.00 3.77 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 29 E 7.80 4.17 0.00 2.24 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 2.38 2.37 0.00 30 A 8.11 4.16 1.18 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 0.00 0.00 31 Q 8.59 4.11 0.00 2.39 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.88 0.00 32 A 8.05 4.18 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 33 L 7.76 4.48 0.00 1.89 1.77 0.93 0.92 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 34 G 7.64 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 0.00 0.00 0.00 0.00 35 W 8.16 4.49 0.00 3.18 3.21 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 0.00 36 V 8.78 3.77 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 0.91 0.00 0.00 0.90 0.00 0.00 37 A 7.40 3.72 0.94 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 38 S 7.80 4.49 0.00 3.86 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 39 K 8.04 4.20 0.00 1.80 1.78 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.48 7.81 40 G 7.50 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 0.00 0.00 0.00 41 N 8.03 4.85 0.00 2.90 3.01 0.00 0.00 5.75 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 42 L 8.45 3.90 0.00 1.39 1.65 0.24 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.31 4.23 1.38 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 0.00 0.00 0.00 44 D 7.76 4.33 0.00 2.81 2.76 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 0.00 0.00 0.00 45 V 7.76 3.97 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 0.85 0.00 0.00 1.08 0.00 0.00 46 A 8.52 4.66 1.16 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 0.00 0.00 0.00 47 P 0.00 4.42 0.00 2.17 2.20 0.00 3.39 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 48 G 9.02 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 0.00 0.00 0.00 49 K 7.41 4.82 0.00 1.66 1.59 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.69 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.48 7.81 50 S 8.29 4.52 0.00 3.02 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.90 4.29 1.74 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.36 0.89 0.00 0.00 52 G 9.02 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 0.00 0.00 0.00 0.00 53 G 9.84 4.36 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 0.00 0.00 0.00 54 D 8.12 4.75 0.00 2.72 2.66 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 55 I 8.35 4.25 1.89 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 1.24 0.74 0.91 0.00 0.00 56 F 9.03 4.79 0.00 2.96 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 57 S 8.37 3.99 0.00 3.81 3.76 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 0.00 0.00 0.00 58 N 6.56 3.95 0.00 3.01 2.90 0.00 0.00 7.21 7.65 0.00 0.00 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 R 7.96 3.93 0.00 1.87 1.86 0.00 3.31 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.26 0.00 60 E 8.20 4.30 0.00 2.02 1.98 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 2.36 2.26 0.00 61 G 7.87 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.49 4.06 0.00 1.80 1.77 0.00 1.78 0.00 0.00 1.84 0.00 0.00 3.20 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.63 1.49 7.81 63 L 6.72 3.78 0.00 0.40 0.13 -0.48 -0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.15 0.00 2.32 2.16 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.13 0.00 65 G 8.60 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 66 K 8.11 4.34 0.00 1.91 1.62 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.25 0.77 7.81 67 S 8.89 4.18 0.00 3.85 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 68 G 8.74 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 0.00 0.00 0.00 69 R 7.79 4.34 0.00 1.62 1.84 0.00 3.20 0.00 0.00 2.57 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.24 0.00 70 T 7.94 4.67 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 1.14 0.00 0.00 71 W 8.59 5.02 0.00 3.58 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 72 R 8.75 5.19 0.00 0.67 1.51 0.00 2.92 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.36 0.00 73 E 9.04 5.46 0.00 2.15 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 2.50 0.00 74 A 9.30 5.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 9.35 4.97 0.00 2.71 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 76 I 7.83 4.59 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.94 1.01 0.00 0.00 77 N 9.27 4.23 0.00 2.85 2.91 0.00 0.00 6.91 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 78 Y 7.99 4.43 0.00 2.90 2.84 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 79 T 7.13 4.21 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 1.10 0.00 0.00 80 S 6.97 4.11 0.00 3.84 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 81 G 8.53 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 0.00 0.00 0.00 82 F 8.67 4.50 0.00 3.17 3.07 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 83 R 8.71 4.35 0.00 1.97 2.02 0.00 3.22 0.00 0.00 3.56 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.77 0.00 84 N 8.71 4.80 0.00 2.86 2.99 0.00 0.00 5.97 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 85 S 8.59 4.37 0.00 3.27 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 86 D 8.83 5.22 0.00 2.77 2.58 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 0.00 0.00 0.00 87 R 9.02 4.87 0.00 1.44 1.72 0.00 3.45 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.93 0.00 88 I 9.17 4.99 1.96 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 1.41 1.50 1.08 0.00 0.00 89 L 9.28 5.55 0.00 1.74 1.49 1.10 -0.11 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 90 Y 9.08 5.61 0.00 3.05 3.12 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 0.00 0.00 0.00 91 S 8.22 4.20 0.00 2.95 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 92 S 8.00 3.43 0.00 3.72 3.73 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 93 D 7.11 4.50 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 W 6.30 3.59 0.00 3.60 3.52 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 95 L 7.79 4.50 0.00 1.86 1.92 1.24 0.99 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 96 I 8.58 5.58 2.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.09 1.13 0.00 0.00 97 Y 10.14 5.30 0.00 2.90 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 98 K 9.10 5.28 0.00 1.82 1.91 0.00 1.24 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.36 7.81 99 T 8.76 4.84 3.22 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 0.77 0.00 0.00 100 T 8.56 4.76 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 1.16 0.00 0.00 101 D 7.77 4.54 0.00 2.72 2.74 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 0.00 102 H 7.95 3.60 0.00 3.38 3.57 0.00 6.00 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.29 3.23 0.00 3.20 3.33 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 0.00 104 Q 7.68 4.26 0.00 2.49 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.32 6.61 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 105 T 7.33 4.77 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 1.18 0.00 0.00 106 F 8.53 5.86 0.00 2.91 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 0.00 107 T 8.53 4.75 4.27 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 1.20 0.00 0.00 108 K 8.51 3.45 0.00 0.79 1.25 0.00 1.49 0.00 0.00 1.53 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.29 7.81 109 I 8.20 4.45 1.87 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 1.33 0.89 0.90 0.00 0.00 110 R 7.60 4.18 0.00 1.88 1.83 0.00 3.34 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.