NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3166 8.2649 123.5824 50.8323 19.9612 176.3510 2 P 4.6255 0.0000 0.0000 62.2969 31.6128 175.1580 3 Q 4.5928 8.2524 118.6502 55.6301 30.9332 175.1644 4 N 4.8830 7.4556 115.2037 50.6664 41.3594 174.9455 5 I 3.6364 8.2083 120.3516 64.3576 37.9539 178.0338 6 T 3.7994 7.8330 116.2346 66.5504 68.2709 176.0357 7 E 3.8998 9.7548 122.2366 59.1714 29.6341 178.6153 8 L 3.9746 8.1608 120.5259 58.2866 42.1839 178.0215 9 C 4.3085 8.7123 119.0855 59.6519 43.4094 175.1066 10 S 4.2394 7.6783 112.0043 59.5211 62.7404 174.8166 11 E 4.2344 7.7616 121.4733 55.9069 29.7416 174.9221 12 Y 4.7888 7.2201 116.2715 56.4122 41.3657 174.5858 13 H 4.9164 8.8096 117.9442 55.4292 31.0589 174.3047 14 N 4.4255 8.9179 115.9125 54.7664 35.8899 173.8703 15 T 5.8410 8.2072 106.3575 59.5562 71.9028 172.6665 16 Q 4.6006 8.2362 118.9526 55.0303 32.6704 173.1056 17 I 4.6734 8.1091 120.9001 60.6472 38.4283 174.9526 18 Y 4.1699 8.9069 126.0143 57.1233 39.4141 174.9250 19 T 4.4871 8.4780 121.9189 63.1919 68.7834 174.2696 20 I 3.8969 8.9536 127.9299 62.3315 38.1700 177.1606 21 N 4.1652 7.8026 115.6888 53.2795 36.1410 172.8547 22 D 4.6297 7.6995 114.5913 53.0117 45.1190 174.5596 23 K 4.9014 8.3652 121.8372 55.6266 33.5456 176.8308 24 I 3.3524 8.1791 121.2999 61.4014 37.6411 176.1443 25 L 4.4528 8.4790 128.4882 57.6272 42.7290 176.9702 26 S 4.6148 7.6650 111.5805 56.8099 66.8861 172.4946 27 Y 4.8719 7.7186 121.3892 56.1480 41.5576 174.4750 28 T 4.5921 7.9502 122.4047 61.5980 72.6230 172.7618 29 E 5.0279 8.4422 122.2085 54.7487 33.3586 174.4797 30 S 4.7713 8.8664 115.1861 56.5748 66.0080 174.1505 31 L 4.5923 8.5716 124.2026 55.1003 41.2731 176.3965 32 A 4.0483 7.8655 124.3392 51.8483 18.8279 177.5726 33 G 4.1848 8.6788 114.0695 47.7775 0.0000 174.8168 34 K 4.1358 8.7627 123.6739 54.7988 31.0516 173.6394 35 R 4.7411 7.7487 116.1147 56.6945 30.8091 177.2733 36 E 4.9671 8.1881 118.7929 55.1796 29.1403 176.3360 37 M 5.0990 8.1274 119.9572 53.5465 35.4450 173.7002 38 A 5.1277 8.3441 119.6736 50.2640 22.9191 175.3182 39 I 5.0830 8.4719 120.2797 59.4781 41.4122 174.6726 40 I 5.0438 8.9689 120.1135 59.2437 41.0004 174.3533 41 T 5.6133 8.1339 112.2447 59.0051 72.6906 172.3918 42 F 5.1081 8.3928 119.0284 55.2093 42.9331 175.9726 43 K 3.8507 9.3135 122.0708 59.9082 31.8488 177.3653 44 N 4.5221 8.1979 112.9583 53.5877 37.4596 175.4725 45 G 3.9541 8.3143 107.4994 44.9959 0.0000 173.4347 46 A 4.2146 8.3204 122.1998 51.3003 20.3080 176.8673 47 T 4.8234 7.6631 116.8474 61.6805 71.6374 173.5089 48 F 5.3781 9.1957 124.4169 55.6579 43.3193 173.9689 49 Q 5.1677 9.1902 119.0611 54.5228 31.8337 174.5193 50 V 4.3839 8.5028 121.0501 61.1410 32.9769 175.0933 51 E 4.4508 8.9847 130.1374 56.2611 30.2732 178.1335 52 V 4.0156 8.3342 121.4468 60.9294 32.0327 175.9681 53 P 4.3577 0.0000 0.0000 61.6195 30.9248 174.8824 *60 S 4.4015 7.8630 111.8883 59.7085 65.5007 175.7183 61 Q 4.0629 8.0049 123.1553 59.7402 29.4240 179.1458 62 K 3.9901 8.2951 126.9275 60.6881 31.6086 182.0388 63 K 4.2986 8.1174 124.3200 59.2815 31.6799 180.7267 64 A 4.2123 7.8072 120.9014 55.2967 18.3688 179.8988 65 I 3.7463 7.7156 117.9843 64.4970 37.2101 178.4725 66 E 3.9994 8.0740 119.0193 59.3574 29.2807 179.2827 67 R 3.8888 8.2967 119.0462 59.6209 30.0781 178.0673 68 M 4.0244 8.1981 117.8970 58.8120 32.2544 178.3741 69 K 4.1104 8.0163 118.0454 59.4950 32.1863 179.0143 70 D 4.3710 8.2980 119.1996 57.7269 40.6952 178.9567 71 T 3.8654 8.3235 116.4783 66.7828 68.4022 176.7296 72 L 4.0507 8.1991 120.9145 57.5593 41.5533 179.5018 73 R 2.9133 7.8657 118.6957 59.2359 29.9953 178.5185 74 I 3.6341 7.7071 118.1872 63.8473 37.9191 177.5972 75 A 3.9881 8.2561 122.0067 55.1798 18.2604 178.9921 76 Y 3.9386 8.2829 118.2702 61.0126 38.7472 178.3982 77 L 3.8515 8.1118 118.9197 57.0661 41.7638 178.5691 78 T 4.2385 7.7401 107.0479 60.3396 69.6381 174.1673 79 E 3.6159 7.6583 119.3780 57.3617 27.7892 174.7733 80 A 4.1901 7.9356 119.9302 51.5718 19.9187 178.0473 81 K 4.1325 8.6453 124.0134 56.3111 33.8029 175.8569 82 V 3.8318 8.7781 128.6825 62.8868 32.3836 175.2737 83 E 4.4171 9.5767 131.2863 57.5006 29.7362 175.5359 84 K 5.1421 8.5863 117.4090 54.4418 37.0514 174.6064 85 L 4.9563 8.5330 121.7727 53.0649 45.2896 174.6386 86 C 4.9960 8.6738 123.7870 55.4230 44.4019 172.7825 87 V 4.8139 8.4130 118.6479 59.1380 36.1119 174.8111 88 W 5.1081 9.2376 124.2536 56.3383 29.7951 176.3794 89 N 4.8695 9.5415 123.1489 52.5398 37.5905 175.1454 90 N 4.9373 8.2125 115.6837 52.7896 37.4466 174.5140 91 K 4.7385 7.8290 116.9018 55.4600 36.0748 175.4150 92 T 4.7927 8.1995 116.3348 61.1111 71.2487 172.5017 93 P 4.5008 0.0000 0.0000 62.1516 32.4695 176.0131 94 N 4.8154 8.7603 117.9687 53.6459 39.9768 173.8012 95 S 5.2316 8.9720 117.3604 56.9700 64.4218 173.0771 96 I 4.1599 8.6219 128.7419 61.4806 36.8234 175.5592 97 A 3.9722 8.5494 129.3752 53.3820 19.9856 176.8228 98 A 4.5916 7.2061 114.3317 50.8916 22.9891 175.0942 99 I 5.1377 8.0956 118.4958 59.3211 41.4572 174.3744 100 S 4.8968 9.0988 122.6790 56.7676 66.2032 172.6623 101 M 5.1071 8.6438 120.5458 53.5290 35.1452 175.3902 102 A 4.2323 8.0361 126.0363 52.3823 19.5093 175.4452 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 1 A 8.26 4.32 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 2 P 0.00 4.63 0.00 2.15 2.09 0.00 3.70 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.23 0.00 3 Q 8.25 4.59 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 4 N 7.46 4.88 0.00 2.93 2.86 0.00 0.00 5.85 7.63 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 5 I 8.21 3.64 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.94 0.87 0.00 0.00 6 T 7.83 3.80 4.38 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 1.18 0.00 0.00 7 E 9.75 3.90 0.00 1.90 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 2.29 2.30 0.00 8 L 8.16 3.97 0.00 1.92 1.85 0.95 1.13 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 9 C 8.71 4.31 0.00 3.10 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 10 S 7.68 4.24 0.00 4.01 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 11 E 7.76 4.23 0.00 1.70 1.65 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 0.00 2.18 2.48 0.00 12 Y 7.22 4.79 0.00 2.98 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 13 H 8.81 4.92 0.00 3.24 3.32 0.00 6.03 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 14 N 8.92 4.43 0.00 3.21 3.10 0.00 0.00 6.39 7.05 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 15 T 8.21 5.84 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 1.02 0.00 0.00 16 Q 8.24 4.60 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.02 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 17 I 8.11 4.67 1.79 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 1.28 0.79 0.85 0.00 0.00 18 Y 8.91 4.17 0.00 2.87 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 19 T 8.48 4.49 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 1.18 0.00 0.00 20 I 8.95 3.90 1.74 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.23 0.26 0.00 0.00 21 N 7.80 4.17 0.00 2.80 2.83 0.00 0.00 6.63 8.06 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 22 D 7.70 4.63 0.00 2.92 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 23 K 8.37 4.90 0.00 1.93 1.84 0.00 1.19 0.00 0.00 2.36 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.47 7.81 24 I 8.18 3.35 2.06 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.66 0.90 0.00 0.00 25 L 8.48 4.45 0.00 1.66 1.77 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.67 4.61 0.00 3.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.72 4.87 0.00 2.43 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 0.00 0.00 0.00 28 T 7.95 4.59 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 1.06 0.00 0.00 29 E 8.44 5.03 0.00 1.85 1.61 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 2.26 2.31 0.00 30 S 8.87 4.77 0.00 3.83 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 31 L 8.57 4.59 0.00 1.75 1.73 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.87 4.05 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 33 G 8.68 4.18 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 0.00 34 K 8.76 4.14 0.00 2.00 1.88 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.26 1.27 7.81 35 R 7.75 4.74 0.00 1.83 1.88 0.00 3.27 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 36 E 8.19 4.97 0.00 1.97 1.90 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 2.39 2.20 0.00 37 M 8.13 5.10 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 38 A 8.34 5.13 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 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.47 5.08 1.71 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.60 0.82 0.00 0.00 40 I 8.97 5.04 1.68 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.99 0.00 0.00 41 T 8.13 5.61 4.18 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 1.11 0.00 0.00 42 F 8.39 5.11 0.00 3.25 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 43 K 9.31 3.85 0.00 1.80 2.08 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.19 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.51 7.81 44 N 8.20 4.52 0.00 2.91 2.98 0.00 0.00 6.30 7.00 0.00 0.00 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 G 8.31 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 46 A 8.32 4.21 1.03 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 47 T 7.66 4.82 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 1.11 0.00 0.00 48 F 9.20 5.38 0.00 3.00 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 49 Q 9.19 5.17 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.61 2.35 0.00 50 V 8.50 4.38 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 1.01 0.00 0.00 1.00 0.00 0.00 51 E 8.98 4.45 0.00 1.91 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 2.41 2.22 0.00 52 V 8.33 4.02 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 1.05 0.00 0.00 0.93 0.00 0.00 53 P 0.00 4.36 0.00 2.03 2.08 0.00 3.67 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 2.03 2.12 0.00 *60 S 7.86 4.40 0.00 3.92 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.00 4.06 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 62 K 8.30 3.99 0.00 1.80 1.82 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.09 7.81 63 K 8.12 4.30 0.00 1.76 1.85 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.07 7.81 64 A 7.81 4.21 1.41 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 0.00 0.00 65 I 7.72 3.75 2.06 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 1.57 1.14 0.94 0.00 0.00 66 E 8.07 4.00 0.00 2.15 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 0.00 2.58 2.48 0.00 67 R 8.30 3.89 0.00 1.93 2.12 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 M 8.20 4.02 0.00 2.34 2.08 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.67 0.00 69 K 8.02 4.11 0.00 2.09 1.97 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.54 7.81 70 D 8.30 4.37 0.00 2.91 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 T 8.32 3.87 4.44 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 1.23 0.00 0.00 72 L 8.20 4.05 0.00 1.92 1.92 1.03 0.76 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 73 R 7.87 2.91 0.00 1.41 1.84 0.00 3.00 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.07 0.00 74 I 7.71 3.63 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 1.43 1.03 0.96 0.00 0.00 75 A 8.26 3.99 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 76 Y 8.28 3.94 0.00 3.10 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 77 L 8.11 3.85 0.00 1.58 1.66 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.74 4.24 4.20 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 1.19 0.00 0.00 79 E 7.66 3.62 0.00 2.06 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 0.00 2.05 2.07 0.00 80 A 7.94 4.19 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 81 K 8.65 4.13 0.00 1.88 1.72 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.71 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.47 7.81 82 V 8.78 3.83 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 0.86 0.00 0.00 1.16 0.00 0.00 83 E 9.58 4.42 0.00 2.05 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 2.26 2.27 0.00 84 K 8.59 5.14 0.00 1.68 1.57 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.34 7.81 85 L 8.53 4.96 0.00 1.19 1.12 0.33 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.67 5.00 0.00 2.88 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 87 V 8.41 4.81 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 0.31 0.00 0.00 1.23 0.00 0.00 88 W 9.24 5.11 0.00 3.41 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 89 N 9.54 4.87 0.00 2.79 3.16 0.00 0.00 7.00 7.97 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 90 N 8.21 4.94 0.00 2.89 3.01 0.00 0.00 5.92 7.13 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 91 K 7.83 4.74 0.00 1.86 1.74 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.38 7.81 92 T 8.20 4.79 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 1.20 0.00 0.00 93 P 0.00 4.50 0.00 2.02 2.03 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 94 N 8.76 4.82 0.00 3.02 3.04 0.00 0.00 7.17 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 95 S 8.97 5.23 0.00 4.12 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 0.00 96 I 8.62 4.16 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.63 0.84 0.00 0.00 97 A 8.55 3.97 -0.17 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 98 A 7.21 4.59 1.07 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 0.00 0.00 99 I 8.10 5.14 1.84 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 1.40 0.94 0.90 0.00 0.00 100 S 9.10 4.90 0.00 3.88 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 0.00 101 M 8.64 5.11 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 102 A 8.04 4.23 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 * Residues marked with a * may have inaccurate shift predictions.