NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 G 3.7355 8.4545 109.7364 45.1241 0.0000 174.8266 *2 K 4.1135 8.1554 121.9397 54.1163 33.2602 175.8261 3 R 4.2250 8.4853 122.9577 54.3552 30.9142 174.8274 4 P 4.4549 0.0000 0.0000 62.9162 32.6180 175.5706 5 G 4.1033 8.5541 108.5733 45.7940 0.0000 173.3878 6 A 4.2440 8.6064 126.2990 51.7701 19.3472 176.9322 7 I 4.3215 8.6044 122.7319 58.9094 39.3318 173.0468 8 P 4.0103 0.0000 0.0000 61.5723 32.6695 175.3321 9 T 4.3233 8.2978 120.3891 61.3785 71.3949 173.4115 10 V 3.9680 8.2519 127.4866 63.0349 31.3903 175.5464 11 Q 4.3415 9.0985 128.3920 57.9662 29.8953 176.7589 12 I 4.6350 7.4543 118.1025 59.9208 42.0065 174.7464 13 D 4.8758 8.5704 126.1078 53.5460 41.9696 173.1341 14 N 5.0397 8.8090 125.4434 51.2970 40.1024 173.7965 15 E 4.0883 9.0077 116.0533 59.5598 29.8114 177.9458 16 R 4.6070 8.7869 116.9429 56.9654 33.0239 176.7518 17 V 5.0491 7.8749 109.6076 59.5455 36.8495 174.1536 18 K 4.9451 8.9377 123.8089 54.6992 35.0634 174.7940 19 V 4.9551 9.0802 127.8330 61.4772 34.1237 174.2046 20 T 4.9315 8.9973 124.6386 61.6059 72.0147 172.7166 21 E 4.6623 9.0029 128.2478 55.4206 31.4645 174.9337 22 W 4.8042 9.2348 127.2606 54.9540 31.7670 174.8226 23 R 5.0049 8.8244 124.8544 54.5147 32.3040 175.0743 24 F 4.9769 9.7546 124.2149 55.2108 40.7385 174.3328 25 P 4.7784 0.0000 0.0000 61.5658 32.8195 174.1725 26 P 4.4828 0.0000 0.0000 63.8861 31.4652 177.1808 27 G 3.9363 8.8121 110.5898 45.4910 0.0000 173.6025 28 G 4.2597 8.2112 107.8740 45.7745 0.0000 172.6878 29 E 5.5977 9.0536 117.5694 54.8575 32.9955 176.4286 30 T 3.6405 8.7698 111.3668 62.6550 69.4408 176.2977 31 G 4.1876 8.3014 105.7897 44.5679 0.0000 172.7648 32 W 4.5511 8.5586 129.7283 58.0007 31.6042 174.6017 33 H 4.9585 8.1848 120.0820 54.7276 31.9539 171.8807 34 R 4.9295 8.3752 119.2669 54.7818 32.3776 174.6169 35 H 4.4249 9.2372 124.6706 54.9878 29.8441 175.4211 36 S 4.7919 8.5263 118.9027 58.9433 63.8622 173.6863 *38 D 4.9139 8.0963 119.2579 55.4529 42.5272 174.0543 39 Y 5.4000 8.4643 118.4913 55.7066 42.2832 173.6302 40 V 4.5949 9.0501 120.7267 61.0937 34.6235 174.2635 41 V 4.5430 8.2448 127.9796 61.1454 33.5476 174.4185 42 V 4.1768 8.9291 129.1953 60.7057 32.9089 173.6292 43 P 5.0682 0.0000 0.0000 62.5533 33.1043 175.1910 *45 T 4.1497 8.2263 115.4218 64.2058 69.4594 173.9550 46 T 4.5924 8.4491 121.9861 61.8523 69.8251 174.6513 47 G 4.3935 8.4606 114.8695 45.4489 0.0000 169.7988 48 P 5.0377 0.0000 0.0000 62.5191 32.4432 175.7280 49 L 4.6000 8.6919 121.2302 52.7582 45.7527 175.0407 50 L 4.9286 8.6699 124.3574 53.4830 44.2375 174.9115 51 L 4.9082 8.8227 127.2268 53.1366 44.1241 175.2281 52 E 5.1487 9.0848 124.9653 55.0222 31.4362 175.4712 53 T 4.9153 8.9449 114.5237 58.8550 72.2471 173.1957 54 P 4.4141 0.0000 0.0000 65.6992 31.3356 177.6262 55 E 4.3127 8.3070 115.1009 56.0927 30.3545 176.1237 56 G 3.9764 6.5815 104.9967 45.8581 0.0000 170.6879 57 S 5.2540 8.3347 114.2943 56.8996 66.2374 174.3850 58 V 4.5470 8.5506 116.5004 59.7983 36.0495 174.6783 59 T 4.6337 8.4619 120.4210 62.9675 69.4419 174.0110 60 S 4.6395 9.1033 121.7253 56.4523 65.3424 172.6111 61 Q 4.6988 8.6038 125.9666 54.8056 29.5681 174.9629 62 L 4.7973 8.7832 124.8080 53.5434 44.6322 175.8136 63 T 5.0659 8.2915 118.0336 61.1940 71.7797 173.8878 64 R 4.2141 8.8401 123.5352 58.1066 29.5577 177.2115 65 G 3.7920 9.2992 110.3000 45.4519 0.0000 173.4391 66 V 4.1359 7.6241 120.0580 60.9399 31.2108 175.3946 67 S 4.9116 8.3420 122.1633 58.4129 64.4562 172.6017 68 Y 4.9460 8.2082 117.7988 56.2450 41.5957 173.3189 69 T 4.8853 8.4828 113.8176 60.3754 70.6617 173.0372 70 R 4.6949 7.7789 124.5198 53.6530 34.5688 173.1200 71 P 4.9658 0.0000 0.0000 61.5802 33.6298 174.5691 72 E 3.9218 9.5657 122.1395 58.3300 29.4577 177.1983 73 G 4.0793 9.3398 113.7500 44.9949 0.0000 174.2403 74 V 3.6331 7.6618 119.6695 63.6139 32.5300 174.5304 75 E 4.9926 8.2420 126.6261 54.9585 32.3083 174.6669 76 H 3.2237 7.2804 118.3565 54.6236 32.6230 171.8789 77 N 5.2451 8.1185 117.0413 51.6346 41.8368 173.0364 78 V 4.7707 8.5797 125.1009 61.1243 34.6705 174.1653 79 I 5.1360 8.6174 127.7284 59.5494 41.3471 174.2635 80 N 4.8113 9.3959 126.1875 51.7661 39.2186 173.0941 81 P 4.6946 0.0000 0.0000 63.4964 32.1217 176.2145 82 S 4.6624 8.1909 117.5124 57.7936 65.0357 174.3333 83 D 4.8597 8.6646 118.8227 54.8841 40.8444 176.3032 84 T 4.8563 7.3558 108.4741 59.3318 72.2979 173.2269 85 E 4.4621 8.9021 123.3330 56.4980 30.6674 175.4916 86 F 4.7711 9.2523 128.1650 56.3318 42.3747 173.9720 87 V 5.2529 8.0045 125.5591 61.1915 34.3605 174.4275 88 F 5.3591 8.9723 120.9358 55.4383 42.2119 173.1668 89 V 4.9243 9.0470 120.3483 61.4050 33.5429 173.8270 90 E 5.2882 9.6972 129.6009 54.6598 32.1670 174.4039 91 I 4.8392 9.1536 128.4837 59.8685 39.5361 174.2449 92 E 5.0381 9.3506 128.0807 55.1585 31.5194 175.5960 93 I 4.6899 8.3950 125.2453 59.6722 38.2769 176.0166 94 K 4.3327 9.0005 127.3998 56.0253 33.0901 177.4389 95 A 4.3137 8.4120 124.2635 52.4021 19.2243 177.0150 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 *0 G 8.45 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 0.00 0.00 0.00 *2 K 8.16 4.11 0.00 1.81 1.66 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 3 R 8.49 4.23 0.00 2.01 2.04 0.00 3.44 0.00 0.00 3.49 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 4 P 0.00 4.45 0.00 2.14 2.20 0.00 3.87 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 5 G 8.55 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 6 A 8.61 4.24 0.33 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 7 I 8.60 4.32 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.54 0.77 0.00 0.00 8 P 0.00 4.01 0.00 1.16 0.49 0.00 3.43 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 9 T 8.30 4.32 4.08 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 0.00 0.00 1.11 0.00 0.00 10 V 8.25 3.97 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 0.81 0.00 0.00 0.81 0.00 0.00 11 Q 9.10 4.34 0.00 1.92 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.36 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 12 I 7.45 4.64 1.88 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 0.65 0.92 0.00 0.00 13 D 8.57 4.88 0.00 2.55 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.81 5.04 0.00 2.76 2.77 0.00 0.00 6.97 7.39 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 15 E 9.01 4.09 0.00 1.96 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 2.33 2.42 0.00 16 R 8.79 4.61 0.00 1.70 1.94 0.00 3.26 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 17 V 7.87 5.05 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 0.77 0.00 0.00 1.02 0.00 0.00 18 K 8.94 4.95 0.00 1.83 1.66 0.00 1.60 0.00 0.00 1.80 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.34 7.81 19 V 9.08 4.96 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 1.00 0.00 0.00 0.96 0.00 0.00 20 T 9.00 4.93 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 0.47 0.00 0.00 21 E 9.00 4.66 0.00 1.99 1.69 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 2.21 2.28 0.00 22 W 9.23 4.80 0.00 2.43 2.60 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 23 R 8.82 5.00 0.00 1.69 2.05 0.00 3.20 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 24 F 9.75 4.98 0.00 3.20 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 25 P 0.00 4.78 0.00 2.14 2.02 0.00 3.69 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 26 P 0.00 4.48 0.00 2.08 2.16 0.00 3.84 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 27 G 8.81 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 0.00 0.00 0.00 28 G 8.21 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 29 E 9.05 5.60 0.00 2.31 2.09 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 2.24 2.30 0.00 30 T 8.77 3.64 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 0.75 0.00 0.00 31 G 8.30 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 0.00 0.00 0.00 0.00 32 W 8.56 4.55 0.00 3.47 3.01 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 33 H 8.18 4.96 0.00 3.15 3.28 0.00 5.26 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 34 R 8.38 4.93 0.00 1.87 1.85 0.00 3.29 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 35 H 9.24 4.42 0.00 3.11 3.24 0.00 5.66 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 36 S 8.53 4.79 0.00 3.90 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 *38 D 8.10 4.91 0.00 2.69 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 39 Y 8.46 5.40 0.00 3.09 2.96 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 40 V 9.05 4.59 2.09 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 0.88 0.00 0.00 0.90 0.00 0.00 41 V 8.24 4.54 0.67 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 0.23 0.00 0.00 0.61 0.00 0.00 42 V 8.93 4.18 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 1.02 0.00 0.00 0.94 0.00 0.00 43 P 0.00 5.07 0.00 2.39 2.25 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.27 0.00 *45 T 8.23 4.15 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 0.94 0.00 0.00 46 T 8.45 4.59 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 1.28 0.00 0.00 47 G 8.46 4.39 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 0.00 48 P 0.00 5.04 0.00 2.02 2.03 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 49 L 8.69 4.60 0.00 1.28 1.26 0.61 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.67 4.93 0.00 1.65 1.57 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.82 4.91 0.00 1.54 1.49 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 52 E 9.08 5.15 0.00 1.99 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 2.30 2.26 0.00 53 T 8.94 4.92 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 1.17 0.00 0.00 54 P 0.00 4.41 0.00 2.17 2.28 0.00 3.82 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.59 0.00 55 E 8.31 4.31 0.00 1.96 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 2.29 2.38 0.00 56 G 6.58 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 0.00 0.00 0.00 57 S 8.33 5.25 0.00 3.72 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 58 V 8.55 4.55 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 0.75 0.00 0.00 0.88 0.00 0.00 59 T 8.46 4.63 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 1.16 0.00 0.00 60 S 9.10 4.64 0.00 3.69 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 4.70 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.56 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 62 L 8.78 4.80 0.00 2.08 1.84 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.29 5.07 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 1.24 0.00 0.00 64 R 8.84 4.21 0.00 1.86 1.84 0.00 3.10 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 65 G 9.30 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 0.00 0.00 0.00 66 V 7.62 4.14 2.26 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 0.88 0.00 0.00 1.01 0.00 0.00 67 S 8.34 4.91 0.00 3.95 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 68 Y 8.21 4.95 0.00 2.89 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 69 T 8.48 4.89 4.15 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 1.16 0.00 0.00 70 R 7.78 4.69 0.00 0.67 1.49 0.00 3.29 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.64 0.00 71 P 0.00 4.97 0.00 2.11 2.14 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 72 E 9.57 3.92 0.00 2.17 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 2.38 2.37 0.00 73 G 9.34 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.66 3.63 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 0.63 0.00 0.00 1.01 0.00 0.00 75 E 8.24 4.99 0.00 1.96 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 2.24 2.45 0.00 76 H 7.28 3.22 0.00 2.94 2.97 0.00 5.22 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.12 5.25 0.00 3.09 2.88 0.00 0.00 7.04 7.24 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 78 V 8.58 4.77 2.18 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 0.84 0.00 0.00 0.65 0.00 0.00 79 I 8.62 5.14 1.86 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 1.17 0.66 0.98 0.00 0.00 80 N 9.40 4.81 0.00 2.63 2.86 0.00 0.00 6.79 7.69 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 81 P 0.00 4.69 0.00 2.10 2.11 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 82 S 8.19 4.66 0.00 4.06 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.86 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 84 T 7.36 4.86 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 1.24 0.00 0.00 85 E 8.90 4.46 0.00 2.06 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 2.37 2.64 0.00 86 F 9.25 4.77 0.00 3.31 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 87 V 8.00 5.25 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 0.94 0.00 0.00 0.95 0.00 0.00 88 F 8.97 5.36 0.00 3.34 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 89 V 9.05 4.92 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 0.81 0.00 0.00 1.00 0.00 0.00 90 E 9.70 5.29 0.00 2.66 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 0.00 2.40 2.56 0.00 91 I 9.15 4.84 1.93 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 1.27 0.50 0.96 0.00 0.00 92 E 9.35 5.04 0.00 1.96 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 2.36 2.39 0.00 93 I 8.40 4.69 1.91 0.00 0.00 0.89 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 0.84 0.94 0.00 0.00 94 K 9.00 4.33 0.00 1.65 1.76 0.00 1.95 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.47 7.81 95 A 8.41 4.31 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.