NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3078 8.2644 123.5813 52.4734 19.8020 175.9540 2 S 4.2838 8.1416 111.0751 56.8721 63.0743 172.1267 3 A 3.5934 8.0005 124.5497 50.0375 17.5650 177.4879 4 A 5.3361 7.1096 131.1325 51.7945 22.4090 177.6214 5 K 4.5269 7.0905 124.0511 57.0546 31.9483 176.4010 6 G 3.9758 8.4969 115.7517 45.6521 0.0000 177.4238 7 D 3.3700 7.9234 112.9657 50.5604 44.4537 175.3787 8 H 3.9080 8.9803 115.8894 56.5985 27.8216 175.8840 9 G 3.9426 7.6202 106.3986 48.6133 0.0000 175.7332 10 G 3.9200 7.2257 112.6606 43.5839 0.0000 173.4014 *12 G 3.8337 8.4688 112.6573 43.9818 0.0000 172.1442 13 A 4.1651 8.4821 120.5614 55.3809 18.1063 179.8382 14 R 3.9102 8.0041 116.6030 59.7425 30.1793 178.7470 15 T 3.8853 7.8926 115.0611 66.6274 68.5295 176.6563 16 W 4.0653 8.1274 120.6750 59.5311 28.9128 178.6951 17 R 3.8668 8.5481 119.2899 59.1777 29.5814 178.0499 18 F 4.2980 8.5494 120.7675 61.6816 39.2440 177.2204 19 L 3.9651 8.3131 118.7239 57.8809 41.3381 179.6748 20 T 3.7733 8.0513 115.9057 66.6603 68.1815 176.6266 21 F 4.9509 8.1347 118.0318 59.3348 39.1861 177.4647 22 G 4.1256 8.3094 103.9315 45.1115 0.0000 173.5363 23 L 4.5193 7.6520 119.5845 56.2632 44.3342 178.0991 24 A 3.9705 8.3268 120.1211 55.3481 18.3423 179.6687 25 L 4.0014 8.4246 117.7585 57.4229 41.6934 178.0729 26 P 4.3146 0.0000 0.0000 65.5458 31.2159 178.6360 27 S 4.1257 8.1757 114.0894 61.6886 62.7468 177.0337 28 V 3.5268 7.7371 120.5350 65.8253 31.4070 177.9279 29 A 3.9747 8.3966 120.9778 55.0304 18.1764 179.3862 30 L 3.9065 8.3413 117.8605 58.4690 41.6962 179.7492 31 C 4.0512 8.3568 116.6679 63.0594 27.8807 176.3969 32 T 3.4384 7.9714 117.4838 66.0098 67.6776 176.6008 33 L 3.9202 7.4963 121.3422 58.2422 42.3771 177.9878 34 N 4.2382 8.2287 117.0276 56.8277 38.6857 177.0947 35 S 4.0005 8.1187 116.6495 60.7976 63.8287 175.3752 36 W 5.4715 7.8562 121.4142 54.9550 26.3513 174.7663 37 L 4.6485 7.3859 122.5696 56.9308 49.8100 175.2237 38 H 4.7379 8.0374 112.9320 56.2423 29.6626 176.5253 39 S 3.9734 8.6511 116.0628 58.8915 61.7959 177.2303 40 G 3.4742 9.0672 102.0378 45.5712 0.0000 174.3082 41 H 4.0292 8.5273 125.3391 56.5885 29.1838 175.0561 42 R 4.3423 8.3480 122.6587 54.5979 31.3180 175.9702 43 E 3.9627 8.6057 121.6328 55.9410 29.2108 176.7776 44 R 3.9768 8.5375 123.3302 56.0181 29.6534 174.9673 45 P 4.5332 0.0000 0.0000 61.6939 32.4312 175.7981 46 A 4.1696 8.4929 122.1438 52.5946 18.7481 177.2225 47 F 4.5095 8.9177 123.5342 57.8132 40.1314 174.9163 48 I 3.9116 7.2786 127.9189 58.4690 40.0768 175.0228 49 P 4.1814 0.0000 0.0000 61.4998 30.6345 176.4020 50 Y 4.3530 7.2542 115.4862 60.3696 38.5441 177.8862 51 H 4.5782 9.0362 119.6126 57.1716 29.3749 175.6413 52 H 4.7179 8.2668 113.5601 55.3862 29.0236 174.3181 53 L 4.7276 7.0063 118.2976 53.2936 45.1133 175.6664 54 R 3.8651 8.5425 115.5976 57.4398 27.5042 177.3480 55 I 3.8795 7.5980 116.7159 61.4272 38.0440 177.0626 56 R 4.2440 8.2594 123.0161 55.2291 31.9382 174.6985 57 T 4.4021 8.0095 112.3661 61.2556 70.3856 174.6164 58 K 4.3224 7.1261 120.8735 54.5221 35.0006 173.0309 59 P 4.2233 0.0000 0.0000 62.1242 32.1412 176.5134 60 F 3.9871 7.9212 121.0860 57.7500 39.1537 175.5042 61 S 4.5054 7.9926 118.6879 58.2130 63.3283 173.8796 62 W 5.2307 7.0905 115.7951 55.5811 31.7459 174.9580 63 G 3.7174 8.5527 107.0004 47.2269 0.0000 174.3073 64 D 4.5641 8.8679 124.6370 53.0953 39.9194 177.7403 65 G 4.3178 8.6049 108.9984 45.7241 0.0000 174.1400 66 N 4.9726 8.8243 115.6826 52.9903 40.2339 173.2112 67 H 4.8860 8.0763 113.8857 54.4378 31.2533 174.3798 68 T 3.6604 8.2088 113.3747 60.9398 69.6189 175.2207 69 F 3.3620 8.7521 124.2018 60.3167 39.4318 175.8248 70 F 4.8858 7.5887 118.2687 56.3386 39.4745 175.0837 71 H 3.8081 7.8026 119.9345 56.9775 30.0128 173.4648 72 N 4.7726 8.4951 125.4441 51.0725 39.0988 172.5905 73 P 4.3193 0.0000 0.0000 65.8486 31.8127 179.0272 74 R 3.9408 7.9029 115.7905 58.9279 29.9284 177.8724 75 V 4.4690 7.3809 103.1444 60.6455 33.3504 175.3327 76 N 4.8409 8.4530 118.6211 50.4742 38.5346 172.8249 77 P 4.0964 0.0000 0.0000 62.0227 32.2180 176.5610 78 L 4.2908 7.9373 120.6035 53.3384 42.4432 176.2792 79 P 4.2793 0.0000 0.0000 65.7399 31.1278 177.6225 80 T 4.2302 7.6859 105.2067 60.7069 69.4276 172.8552 81 G 2.2307 6.9295 108.4719 43.2924 0.0000 173.0969 82 Y 4.3167 7.7032 116.6588 57.6767 38.3541 176.5027 83 E 4.2234 8.5937 122.2642 55.7031 30.4661 177.3229 84 K 4.0304 8.7393 119.3782 57.2841 32.1031 176.8210 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 4.31 1.26 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 2 S 8.14 4.28 0.00 3.85 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 3 A 8.00 3.59 1.29 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 0.00 0.00 0.00 4 A 7.11 5.34 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 5 K 7.09 4.53 0.00 1.56 1.03 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.24 1.30 7.81 6 G 8.50 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 7 D 7.92 3.37 0.00 2.63 2.48 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 0.00 8 H 8.98 3.91 0.00 3.37 3.33 0.00 5.99 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.62 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 10 G 7.23 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *12 G 8.47 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 0.00 0.00 0.00 13 A 8.48 4.17 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 14 R 8.00 3.91 0.00 1.94 1.99 0.00 3.21 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 15 T 7.89 3.89 4.33 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 0.80 0.00 0.00 16 W 8.13 4.07 0.00 3.47 3.28 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 17 R 8.55 3.87 0.00 2.06 2.18 0.00 3.25 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.86 0.00 18 F 8.55 4.30 0.00 3.24 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 19 L 8.31 3.97 0.00 1.72 1.58 -0.18 0.54 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 20 T 8.05 3.77 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 21 F 8.13 4.95 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 22 G 8.31 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 23 L 7.65 4.52 0.00 1.63 1.73 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.33 3.97 1.36 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 25 L 8.42 4.00 0.00 1.78 1.82 1.04 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.31 0.00 2.18 2.13 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 27 S 8.18 4.13 0.00 4.03 3.90 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 28 V 7.74 3.53 2.25 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 0.98 0.00 0.00 0.98 0.00 0.00 29 A 8.40 3.97 1.36 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 30 L 8.34 3.91 0.00 1.79 1.71 0.92 0.95 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 31 C 8.36 4.05 0.00 2.84 2.85 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 32 T 7.97 3.44 4.31 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 1.06 0.00 0.00 33 L 7.50 3.92 0.00 1.90 1.81 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.23 4.24 0.00 2.71 2.71 0.00 0.00 7.35 7.80 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 35 S 8.12 4.00 0.00 3.28 3.08 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 36 W 7.86 5.47 0.00 3.23 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 37 L 7.39 4.65 0.00 1.82 1.82 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.04 4.74 0.00 3.16 3.36 0.00 5.91 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.65 3.97 0.00 4.27 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 0.00 40 G 9.07 3.47 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 0.00 41 H 8.53 4.03 0.00 3.14 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.35 4.34 0.00 1.84 1.88 0.00 3.26 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 43 E 8.61 3.96 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 44 R 8.54 3.98 0.00 1.96 1.88 0.00 2.38 0.00 0.00 2.98 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.33 0.00 45 P 0.00 4.53 0.00 2.32 2.18 0.00 3.97 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 46 A 8.49 4.17 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 47 F 8.92 4.51 0.00 2.97 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 48 I 7.28 3.91 1.11 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 1.16 0.55 -0.36 0.00 0.00 49 P 0.00 4.18 0.00 1.98 2.10 0.00 3.08 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 1.83 2.02 0.00 50 Y 7.25 4.35 0.00 2.93 2.79 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 51 H 9.04 4.58 0.00 3.23 3.40 0.00 5.69 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 52 H 8.27 4.72 0.00 3.27 3.40 0.00 5.46 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.01 4.73 0.00 1.71 1.60 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.54 3.87 0.00 1.97 2.02 0.00 3.33 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 55 I 7.60 3.88 1.89 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 1.44 0.76 0.89 0.00 0.00 56 R 8.26 4.24 0.00 1.66 1.69 0.00 3.14 0.00 0.00 3.03 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.49 0.00 57 T 8.01 4.40 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 1.17 0.00 0.00 58 K 7.13 4.32 0.00 1.59 1.51 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.19 1.34 7.81 59 P 0.00 4.22 0.00 1.96 1.84 0.00 3.62 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 1.94 2.01 0.00 60 F 7.92 3.99 0.00 2.34 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 61 S 7.99 4.51 0.00 4.13 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 62 W 7.09 5.23 0.00 3.39 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.55 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 64 D 8.87 4.56 0.00 2.78 2.78 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 65 G 8.60 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 66 N 8.82 4.97 0.00 2.57 2.84 0.00 0.00 6.98 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 67 H 8.08 4.89 0.00 3.13 3.17 0.00 5.95 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.21 3.66 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 1.32 0.00 0.00 69 F 8.75 3.36 0.00 2.50 2.39 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 70 F 7.59 4.89 0.00 3.14 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 71 H 7.80 3.81 0.00 3.29 3.33 0.00 5.91 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 72 N 8.50 4.77 0.00 2.76 2.69 0.00 0.00 7.16 7.71 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 73 P 0.00 4.32 0.00 2.24 2.28 0.00 3.68 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 74 R 7.90 3.94 0.00 2.05 1.98 0.00 3.21 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 75 V 7.38 4.47 2.17 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 0.72 0.00 0.00 0.97 0.00 0.00 76 N 8.45 4.84 0.00 2.56 2.82 0.00 0.00 6.97 7.62 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 77 P 0.00 4.10 0.00 1.50 0.56 0.00 3.72 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.71 0.00 78 L 7.94 4.29 0.00 1.61 1.54 0.87 0.87 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 79 P 0.00 4.28 0.00 2.03 2.16 0.00 3.61 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 2.14 2.11 0.00 80 T 7.69 4.23 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 1.20 0.00 0.00 81 G 6.93 2.23 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 0.00 0.00 0.00 82 Y 7.70 4.32 0.00 2.93 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 83 E 8.59 4.22 0.00 2.04 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 2.34 2.37 0.00 84 K 8.74 4.03 0.00 1.73 1.77 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.54 7.81 * Residues marked with a * may have inaccurate shift predictions.