NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.4655 8.2033 121.0377 55.2274 30.4112 174.6076 4 K 4.4166 8.6157 124.3772 54.0287 33.1563 176.4151 5 L 4.0491 8.6762 124.3480 58.1682 42.8658 179.5487 6 S 4.1026 8.2251 114.4286 61.6998 62.6923 176.3688 7 D 4.4977 8.1103 122.4468 56.6492 40.3848 178.2452 8 F 4.2090 8.1554 120.4726 61.7043 39.5802 176.7111 9 H 4.2474 8.5356 115.3811 58.8498 28.1820 177.6553 10 A 4.3045 8.3345 124.6686 55.2700 17.8174 180.2649 11 E 3.9219 7.4673 115.4758 61.2340 30.0425 184.1133 12 S 4.4718 7.2428 111.0435 59.7569 63.9413 173.6780 *14 G 3.8367 7.7826 111.1420 45.3098 0.0000 172.9924 15 C 4.1839 8.6633 117.5856 63.4720 28.1152 176.4228 16 E 4.5889 8.1127 113.2578 57.2913 29.7889 180.8855 17 S 4.4052 7.8808 113.9430 62.2831 63.1360 175.2586 18 C 4.7326 8.1231 115.3609 59.5747 30.5559 173.1731 19 H 5.1402 8.0776 117.1077 53.2276 30.9119 173.3057 20 K 4.0554 8.2594 125.3564 57.5714 32.3544 176.3780 21 D 4.4401 9.6273 124.1309 55.1364 38.3611 174.2848 22 G 3.9899 8.2598 105.0393 46.1716 0.0000 174.0478 23 T 4.5684 7.5182 114.9361 60.3315 71.6259 172.3208 24 P 4.5379 0.0000 0.0000 62.4822 32.1097 176.4369 25 S 4.4255 8.8018 115.9990 57.4773 64.0716 174.3089 26 A 4.1334 8.6097 124.3834 54.5310 18.1886 178.1893 27 D 4.7784 8.0504 111.3424 52.5449 40.5180 176.9433 28 G 4.1329 8.5827 108.6089 45.6460 0.0000 175.6151 29 A 4.1298 8.4648 122.8374 55.0497 18.3411 179.7101 30 F 4.0104 8.3340 118.7252 61.5344 39.3971 177.0365 31 E 4.2718 8.3558 119.0426 58.9696 29.4611 178.9336 32 F 4.4233 8.4417 120.5095 61.2418 39.4076 176.9966 33 A 3.6525 8.0041 120.4892 55.1044 18.0986 179.6639 34 Q 3.7704 7.7710 116.5219 59.1224 28.7644 178.5363 35 C 4.1080 8.1373 117.7823 63.2314 28.2084 176.4034 36 Q 4.5314 7.7053 120.2219 58.2071 27.9673 178.4787 37 S 3.9908 7.6776 113.5445 61.6849 62.4708 175.6993 38 C 4.2442 7.6777 117.2289 62.2155 28.2086 174.9436 39 H 4.6678 8.0388 116.0667 55.7005 29.8190 174.2865 40 G 3.7228 8.1664 105.5799 44.3965 0.0000 172.3131 41 K 4.8318 8.1630 116.6500 54.2019 34.5673 177.8192 42 L 4.1269 8.4953 121.0157 57.9121 41.7961 179.9432 43 S 4.1644 8.1855 112.1895 60.7972 62.8258 174.7167 44 E 4.4581 7.9536 117.7545 56.2399 29.4361 175.4919 45 M 4.4896 7.5662 120.3731 53.7380 34.4447 175.1247 46 D 4.7074 8.1953 118.8691 53.3052 42.2857 176.1569 47 A 4.0395 8.4737 119.9275 55.1229 18.3297 179.5835 48 V 3.7665 7.8407 116.0504 66.0383 32.0910 177.5442 49 H 4.4160 8.3813 115.4416 58.6921 28.8579 177.4175 50 K 4.0893 8.3902 121.7710 59.2598 31.7688 176.8137 51 P 4.2882 0.0000 0.0000 65.1307 31.5395 176.4778 52 H 4.5284 8.2322 114.4195 55.4614 29.0541 173.9854 53 D 4.5471 7.9223 120.2097 57.8321 40.5708 176.1437 54 G 4.1414 9.2896 116.1613 45.0122 0.0000 172.5726 55 N 4.8881 8.1723 114.9838 52.3847 39.3496 174.5846 56 L 4.8402 7.6670 116.4344 52.7148 45.2304 176.0670 57 V 2.9670 8.0887 114.1632 59.5531 33.2271 177.2462 58 C 4.0420 8.5950 118.9734 63.2442 27.9922 176.3365 59 A 4.9540 7.7873 120.2583 53.8025 18.2425 178.8859 60 D 4.3842 7.9229 115.4656 56.5657 41.2041 176.8892 61 C 4.3875 7.4346 111.8291 61.2991 29.8849 174.2830 62 H 4.4305 8.1620 121.2563 54.4997 27.3644 174.1770 63 A 4.5310 8.1078 128.5163 50.9285 17.5107 178.2081 64 V 3.7543 8.1305 115.9193 64.8444 32.0647 178.2839 65 H 4.6018 8.1350 114.0621 56.0949 29.1095 175.3968 66 D 4.7442 7.9508 117.8402 54.7803 42.3900 176.3368 67 M 4.5781 7.8559 118.4911 53.4551 34.1026 175.6025 68 N 5.0336 8.3112 119.2988 52.3219 39.7469 174.8641 69 V 3.5613 7.9320 120.6263 64.5394 31.8230 176.6193 70 G 3.8757 8.7473 115.3317 45.2607 0.0000 172.9908 71 Q 4.1241 7.4982 120.9223 55.2983 29.2143 175.1783 72 K 4.3631 8.3971 125.3541 54.5136 33.2878 175.1374 73 P 4.2349 0.0000 0.0000 63.1664 31.7477 175.8943 74 T 4.5311 8.0929 111.3556 60.5339 71.3703 173.6302 75 C 4.7960 8.2197 115.8664 59.4711 28.4891 175.8261 76 E 4.5619 8.3048 117.3623 57.6435 29.6047 178.7712 77 S 4.2393 7.9729 113.4701 60.4280 63.3901 174.4217 78 C 4.7389 7.5450 114.1998 58.8824 30.2868 173.5774 79 H 4.9434 8.1452 116.8337 54.1523 30.7970 173.9176 80 D 4.8144 8.7404 122.3056 54.4272 41.3449 176.5075 81 D 4.5629 8.0652 118.1524 52.9094 39.8095 177.2115 82 G 3.9108 8.2403 107.4156 45.7854 0.0000 174.2124 83 R 4.0544 7.8703 115.9004 56.2400 30.1387 176.3287 84 T 4.7490 8.5367 109.9329 59.1341 73.3965 175.2015 85 S 4.1103 8.5378 115.7955 61.5151 62.6305 176.3293 86 A 4.0019 7.9300 123.3120 55.0393 18.2761 179.3289 87 S 4.1826 7.9693 111.6197 61.3208 63.0981 176.4132 88 V 3.8250 7.4311 120.5096 65.2052 31.5228 176.2248 89 L 4.3075 7.8787 122.2458 54.9795 41.6599 176.6470 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 Q 8.20 4.47 0.00 1.76 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.03 0.00 0.00 0.00 0.00 0.00 2.26 1.97 0.00 4 K 8.62 4.42 0.00 2.07 1.78 0.00 1.71 0.00 0.00 2.00 0.00 0.00 2.92 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.56 1.47 7.81 5 L 8.68 4.05 0.00 1.83 1.88 0.80 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.23 4.10 0.00 3.87 3.83 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 7 D 8.11 4.50 0.00 2.91 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 8 F 8.16 4.21 0.00 3.03 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 0.00 9 H 8.54 4.25 0.00 3.53 3.38 0.00 5.88 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.33 4.30 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 11 E 7.47 3.92 0.00 2.13 1.88 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 2.26 2.19 0.00 12 S 7.24 4.47 0.00 3.98 3.85 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 0.00 0.00 0.00 0.00 *14 G 7.78 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 15 C 8.66 4.18 0.00 3.05 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 16 E 8.11 4.59 0.00 1.99 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 2.23 1.90 0.00 17 S 7.88 4.41 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.12 4.73 0.00 2.82 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 19 H 8.08 5.14 0.00 3.33 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.26 4.06 0.00 0.79 1.10 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.11 1.30 7.81 21 D 9.63 4.44 0.00 2.80 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 22 G 8.26 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 23 T 7.52 4.57 4.19 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 1.15 0.00 0.00 24 P 0.00 4.54 0.00 2.16 1.95 0.00 3.68 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 25 S 8.80 4.43 0.00 4.05 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 26 A 8.61 4.13 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 27 D 8.05 4.78 0.00 2.78 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 28 G 8.58 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 0.00 0.00 0.00 29 A 8.46 4.13 1.49 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 0.00 0.00 0.00 30 F 8.33 4.01 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 31 E 8.36 4.27 0.00 2.37 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 2.50 2.58 0.00 32 F 8.44 4.42 0.00 3.04 3.24 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 33 A 8.00 3.65 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.77 3.77 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 1.94 2.54 0.00 35 C 8.14 4.11 0.00 3.11 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 36 Q 7.71 4.53 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.15 1.81 0.00 37 S 7.68 3.99 0.00 3.87 3.91 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 38 C 7.68 4.24 0.00 2.90 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 39 H 8.04 4.67 0.00 3.26 3.33 0.00 5.62 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 40 G 8.17 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 0.00 0.00 0.00 41 K 8.16 4.83 0.00 1.80 1.70 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 42 L 8.50 4.13 0.00 1.80 1.81 1.06 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.19 4.16 0.00 3.99 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 0.00 44 E 7.95 4.46 0.00 2.27 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 2.26 2.13 0.00 45 M 7.57 4.49 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.43 0.00 46 D 8.20 4.71 0.00 2.97 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 47 A 8.47 4.04 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 48 V 7.84 3.77 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 0.81 0.00 0.00 0.93 0.00 0.00 49 H 8.38 4.42 0.00 3.35 3.38 0.00 5.88 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.39 4.09 0.00 2.05 1.90 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.52 7.81 51 P 0.00 4.29 0.00 1.84 2.02 0.00 3.85 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 2.10 2.09 0.00 52 H 8.23 4.53 0.00 3.41 3.33 0.00 5.82 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.92 4.55 0.00 2.72 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 54 G 9.29 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 N 8.17 4.89 0.00 2.80 2.90 0.00 0.00 6.71 7.33 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 56 L 7.67 4.84 0.00 1.56 1.47 0.81 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.09 2.97 1.15 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 -0.02 0.00 0.00 0.74 0.00 0.00 58 C 8.59 4.04 0.00 3.11 3.11 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 59 A 7.79 4.95 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 60 D 7.92 4.38 0.00 2.74 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 61 C 7.43 4.39 0.00 2.84 2.75 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 62 H 8.16 4.43 0.00 3.19 3.25 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.11 4.53 1.32 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 64 V 8.13 3.75 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 0.81 0.00 0.00 0.91 0.00 0.00 65 H 8.13 4.60 0.00 3.18 3.38 0.00 5.73 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.95 4.74 0.00 2.78 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 67 M 7.86 4.58 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.64 0.00 68 N 8.31 5.03 0.00 2.74 2.71 0.00 0.00 6.70 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 7.93 3.56 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 0.37 0.00 0.00 0.74 0.00 0.00 70 G 8.75 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 71 Q 7.50 4.12 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 72 K 8.40 4.36 0.00 1.77 1.70 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.44 7.81 73 P 0.00 4.23 0.00 1.92 2.01 0.00 3.59 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 74 T 8.09 4.53 4.29 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 1.24 0.00 0.00 75 C 8.22 4.80 0.00 3.09 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 76 E 8.30 4.56 0.00 2.11 2.20 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 2.35 2.19 0.00 77 S 7.97 4.24 0.00 3.98 4.02 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 78 C 7.54 4.74 0.00 2.77 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 79 H 8.15 4.94 0.00 3.29 3.13 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.74 4.81 0.00 2.66 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 81 D 8.07 4.56 0.00 2.77 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 82 G 8.24 3.91 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 0.00 0.00 0.00 83 R 7.87 4.05 0.00 1.92 2.02 0.00 2.66 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 84 T 8.54 4.75 4.23 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 1.20 0.00 0.00 85 S 8.54 4.11 0.00 4.06 4.14 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 0.00 0.00 0.00 0.00 86 A 7.93 4.00 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 87 S 7.97 4.18 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.43 3.82 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 0.85 0.00 0.00 0.90 0.00 0.00 89 L 7.88 4.31 0.00 1.73 1.57 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.