NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6881 8.3644 120.3212 52.4250 41.9774 175.5153 5 V 4.1270 7.7871 114.3544 62.4536 35.4272 176.3128 6 L 4.1462 9.0580 120.7995 57.6306 42.3803 178.8385 7 K 3.9640 7.9555 117.2526 59.6722 32.0074 179.0937 8 N 4.3981 8.1478 116.0757 56.3609 38.4650 177.3994 9 I 3.8003 7.7660 120.5093 64.2204 37.1457 178.2025 10 A 4.0276 8.6329 121.8679 55.5233 18.2224 179.3040 11 D 4.3542 8.5277 117.6388 58.0358 40.9424 179.4219 12 T 3.9519 8.1159 116.1438 66.3928 68.1922 176.8691 13 L 4.1335 8.0628 120.4250 58.0901 42.1871 179.0819 14 E 4.0248 8.6228 118.6055 59.1589 29.0866 179.1842 15 A 4.0430 8.0228 120.4189 55.0212 18.5450 179.1377 16 R 4.4350 7.5345 111.4295 56.3936 29.9929 177.7623 17 R 3.5231 7.4212 120.6788 59.1668 30.8083 177.3848 18 E 4.6196 7.9198 114.3689 55.4236 30.1202 174.5823 19 A 4.5799 7.4915 122.0406 50.6233 22.1012 176.7681 20 A 4.2177 8.2938 118.4087 51.5142 19.0889 177.3333 21 P 4.2403 0.0000 0.0000 65.4365 31.4883 177.5447 22 Q 4.3330 7.8532 114.3123 56.3498 29.5356 176.5147 23 S 4.2241 7.8937 113.2951 60.8777 62.6434 173.6204 24 S 4.6271 7.4951 111.2925 56.2670 65.6248 173.6884 25 Y 4.1495 8.7937 120.9704 60.9009 38.5981 177.4780 26 V 3.1718 7.9806 118.4620 65.8313 31.5584 177.6943 27 A 4.2019 7.9612 120.3489 55.0998 18.3346 179.5560 28 S 4.1820 7.8841 112.5125 61.4910 62.9426 176.6287 29 L 3.7600 7.6083 122.4607 57.6662 41.1478 179.2854 30 F 4.5156 7.4711 116.1430 61.2917 38.9510 177.1039 31 H 4.4515 8.1997 116.7779 59.1488 29.7452 177.2027 32 K 4.1239 7.9639 119.8259 59.2436 32.2343 175.7548 33 G 3.7678 8.1962 103.7086 43.6088 0.0000 174.1014 34 E 3.1456 8.8303 118.5330 59.2053 29.2704 178.2653 35 D 4.2724 8.0113 117.9205 57.5725 40.6047 178.6328 36 A 3.9483 7.9298 120.3849 55.2165 18.2633 179.6335 37 I 3.6934 7.2618 118.4975 64.4159 37.2208 178.5981 38 L 4.0183 8.0988 120.0706 57.3646 41.2674 179.6510 39 K 3.9023 8.2933 119.0430 59.4091 31.9727 179.1495 40 K 3.8538 7.6017 118.4440 59.3983 32.0673 178.8686 41 V 3.5690 7.8131 118.2690 66.0245 31.4836 177.8834 42 A 3.9843 8.1166 120.4655 54.9726 18.1496 178.9915 43 E 3.8613 8.4584 118.1689 59.8152 29.7697 179.1178 44 E 3.9636 8.4981 118.2823 59.1670 29.3225 179.3377 45 A 4.0266 8.0485 120.9367 55.0708 18.2260 179.5807 46 A 3.9633 7.9261 118.3834 55.2389 18.5436 179.2234 47 E 4.0310 8.2528 117.1131 59.5444 29.9368 178.8565 48 T 4.0579 7.9032 116.0589 66.3930 68.4628 176.7987 49 L 4.1623 7.4778 116.5285 55.6169 41.1150 178.6853 *51 A 4.2903 7.8881 124.1078 52.3765 20.7079 179.7409 52 S 4.0945 8.2236 110.3434 61.3567 62.6643 176.3183 53 K 3.9358 8.0228 120.1291 59.5919 31.9093 177.1323 54 D 4.5350 8.0875 114.9540 54.0042 40.8654 176.1696 55 K 3.8611 7.7942 116.9914 57.3135 30.7183 176.8217 56 D 4.6469 7.5188 120.3110 52.8411 37.6851 176.2754 57 K 3.8371 8.1641 123.3641 59.2400 32.3407 178.2696 58 L 4.0358 7.8188 118.7326 57.8206 41.6328 178.6407 59 H 4.2670 8.3094 118.2428 58.7513 29.7097 176.9272 60 L 3.8518 8.0583 122.4705 58.3624 41.9237 179.2964 61 V 3.5094 7.4029 117.3960 65.9543 31.3894 178.1858 62 R 3.8690 7.6717 117.6704 59.0911 29.8731 178.9830 63 E 3.8630 8.3822 118.7297 59.4581 29.4974 179.3133 64 V 3.6453 8.0576 118.4352 66.0528 31.3288 177.9716 65 A 3.7127 7.8230 120.4699 55.0215 18.1700 179.1256 66 D 4.4289 8.0588 116.6640 57.3210 41.1577 178.0175 67 L 4.0822 8.6758 121.4160 57.9600 41.9677 178.6687 68 W 4.4049 8.6279 118.4889 59.9825 29.2150 177.9451 69 F 4.4487 8.6507 119.4534 62.0047 39.1094 176.8148 70 H 4.1917 8.7716 115.5081 58.5255 28.2877 178.0553 71 T 4.1908 7.9147 115.5563 64.2358 67.9911 176.1712 *73 V 3.8208 7.7392 123.1029 62.8616 33.6295 177.2118 74 L 3.9413 8.0728 121.1116 58.2241 41.8405 178.6482 75 L 4.0607 8.2127 119.2132 58.5400 41.6302 179.8540 76 T 4.0277 8.0096 114.7811 66.8751 68.2019 175.8925 77 Y 4.0716 8.1630 120.6116 60.2692 38.7799 176.6670 78 H 4.8481 7.8731 115.0153 54.7736 29.1991 175.1973 79 G 3.8773 7.7217 107.5790 46.5177 0.0000 173.8139 80 L 4.8972 7.6850 120.8746 53.2475 44.6931 175.6150 81 R 4.5583 8.9709 112.8182 54.4864 32.3674 174.5014 82 P 4.0904 0.0000 0.0000 65.8456 31.2095 178.1628 83 E 3.9218 8.2789 115.5448 59.7882 29.3580 178.8770 84 D 4.5007 8.1499 118.0875 57.5216 41.1789 178.8315 85 V 3.7248 7.5631 118.0736 65.7604 31.4789 178.2524 86 V 3.8015 7.7968 114.2279 64.0322 30.5931 176.8439 *88 E 4.2060 8.1242 120.0624 55.8114 31.3094 177.8770 89 L 4.0549 8.0608 118.9444 57.9413 42.0121 178.8619 90 H 4.2986 8.4575 117.7223 59.1703 29.9321 176.2594 91 R 3.9335 8.0586 117.8878 59.2008 30.1310 176.8391 92 R 3.8439 7.3085 115.2373 57.9922 29.5937 176.6757 93 E 3.9632 6.4194 123.9267 58.5932 30.2615 177.6290 94 G 4.0486 8.8025 112.3338 45.6735 0.0000 172.4766 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 4 D 8.36 4.69 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 7.79 4.13 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 1.04 0.00 0.00 0.96 0.00 0.00 6 L 9.06 4.15 0.00 1.79 1.78 1.03 1.18 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 7 K 7.96 3.96 0.00 1.92 1.89 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.77 7.81 8 N 8.15 4.40 0.00 2.91 2.90 0.00 0.00 7.11 7.43 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 9 I 7.77 3.80 2.16 0.00 0.00 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 1.57 1.05 1.19 0.00 0.00 10 A 8.63 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 11 D 8.53 4.35 0.00 2.86 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 12 T 8.12 3.95 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 13 L 8.06 4.13 0.00 1.89 1.94 0.84 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.62 4.02 0.00 2.12 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 2.31 2.54 0.00 15 A 8.02 4.04 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 16 R 7.53 4.44 0.00 2.10 2.09 0.00 3.22 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.82 0.00 17 R 7.42 3.52 0.00 1.69 1.96 0.00 2.21 0.00 0.00 2.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.40 0.00 18 E 7.92 4.62 0.00 1.89 1.84 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 2.11 2.11 0.00 19 A 7.49 4.58 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 20 A 8.29 4.22 1.27 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 0.00 0.00 21 P 0.00 4.24 0.00 1.98 2.00 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.88 0.00 22 Q 7.85 4.33 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 23 S 7.89 4.22 0.00 3.82 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 24 S 7.50 4.63 0.00 3.91 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 25 Y 8.79 4.15 0.00 3.10 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 26 V 7.98 3.17 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 0.80 0.00 0.00 1.21 0.00 0.00 27 A 7.96 4.20 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.88 4.18 0.00 4.12 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 29 L 7.61 3.76 0.00 1.36 1.29 0.52 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.47 4.52 0.00 3.26 3.05 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 31 H 8.20 4.45 0.00 3.30 3.54 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.96 4.12 0.00 1.90 1.83 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.66 7.81 33 G 8.20 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 0.00 0.00 0.00 34 E 8.83 3.15 0.00 1.82 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 2.25 2.23 0.00 35 D 8.01 4.27 0.00 2.68 2.67 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 36 A 7.93 3.95 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 37 I 7.26 3.69 1.77 0.00 0.00 0.55 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 0.55 0.78 0.00 0.00 38 L 8.10 4.02 0.00 1.76 1.69 0.90 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.29 3.90 0.00 1.90 1.84 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.60 7.81 40 K 7.60 3.85 0.00 1.85 1.73 0.00 1.58 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.09 1.20 7.81 41 V 7.81 3.57 2.21 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 0.98 0.00 0.00 0.96 0.00 0.00 42 A 8.12 3.98 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 43 E 8.46 3.86 0.00 2.13 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 0.00 2.31 2.36 0.00 44 E 8.50 3.96 0.00 2.06 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 2.57 2.57 0.00 45 A 8.05 4.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.93 3.96 1.37 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 47 E 8.25 4.03 0.00 2.11 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 2.36 2.38 0.00 48 T 7.90 4.06 4.48 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 1.23 0.00 0.00 49 L 7.48 4.16 0.00 1.87 1.68 0.97 1.20 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 *51 A 7.89 4.29 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 52 S 8.22 4.09 0.00 3.88 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 53 K 8.02 3.94 0.00 1.94 1.83 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.46 7.81 54 D 8.09 4.54 0.00 2.72 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 55 K 7.79 3.86 0.00 1.89 1.87 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.40 7.81 56 D 7.52 4.65 0.00 2.67 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 57 K 8.16 3.84 0.00 1.82 1.86 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.73 7.81 58 L 7.82 4.04 0.00 1.72 1.70 0.91 1.01 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 59 H 8.31 4.27 0.00 3.38 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.06 3.85 0.00 1.77 1.81 0.90 0.70 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 61 V 7.40 3.51 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 0.86 0.00 0.00 0.92 0.00 0.00 62 R 7.67 3.87 0.00 1.96 1.92 0.00 3.16 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.90 0.00 63 E 8.38 3.86 0.00 1.98 1.93 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 2.20 2.22 0.00 64 V 8.06 3.65 1.93 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 0.69 0.00 0.00 0.95 0.00 0.00 65 A 7.82 3.71 1.27 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 0.00 0.00 66 D 8.06 4.43 0.00 3.03 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 67 L 8.68 4.08 0.00 1.95 2.00 1.02 1.17 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 68 W 8.63 4.40 0.00 3.45 3.38 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 69 F 8.65 4.45 0.00 3.07 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 70 H 8.77 4.19 0.00 3.35 3.35 0.00 5.87 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 71 T 7.91 4.19 4.48 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 1.17 0.00 0.00 *73 V 7.74 3.82 1.96 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 0.33 0.00 0.00 0.19 0.00 0.00 74 L 8.07 3.94 0.00 1.87 1.92 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.21 4.06 0.00 1.72 1.74 0.89 0.68 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 76 T 8.01 4.03 4.69 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 1.20 0.00 0.00 77 Y 8.16 4.07 0.00 3.32 3.23 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 78 H 7.87 4.85 0.00 3.39 3.30 0.00 5.85 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 79 G 7.72 3.88 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 0.00 80 L 7.68 4.90 0.00 1.73 1.76 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.97 4.56 0.00 1.95 1.97 0.00 3.03 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 82 P 0.00 4.09 0.00 2.20 2.14 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 83 E 8.28 3.92 0.00 1.91 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 2.33 2.50 0.00 84 D 8.15 4.50 0.00 2.71 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 85 V 7.56 3.72 2.10 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 0.93 0.00 0.00 0.85 0.00 0.00 86 V 7.80 3.80 2.19 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 1.01 0.00 0.00 0.98 0.00 0.00 *88 E 8.12 4.21 0.00 2.16 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 0.00 2.24 2.37 0.00 89 L 8.06 4.05 0.00 1.92 1.68 0.79 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 90 H 8.46 4.30 0.00 3.07 3.30 0.00 5.79 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 91 R 8.06 3.93 0.00 1.77 2.06 0.00 3.26 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 92 R 7.31 3.84 0.00 2.04 1.75 0.00 3.20 0.00 0.00 3.22 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 93 E 6.42 3.96 0.00 2.00 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 2.36 2.31 0.00 94 G 8.80 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.