NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.2380 8.2993 119.9932 56.7412 33.7237 175.5479 12 F 4.2175 8.4657 114.2181 56.2476 39.1958 179.1382 13 R 2.5100 8.4269 114.5986 54.0776 33.0249 177.2601 14 V 3.2646 8.0703 121.3789 59.1399 32.1150 170.9733 15 R 3.7046 8.4049 112.0752 56.7078 28.3214 177.7858 16 N 4.3039 8.2191 117.9664 56.4334 37.1435 178.1689 17 R 3.9401 7.4564 116.6591 59.0276 30.6890 177.1556 18 I 3.7643 7.9508 119.3832 64.4548 37.1356 178.5544 19 K 3.8952 9.0781 117.8675 56.9236 31.6044 176.4053 20 R 4.4765 9.3431 117.1635 54.2701 30.2216 175.5914 21 T 4.5458 9.3114 119.1891 60.3009 71.4200 172.1996 22 G 4.0705 8.0774 121.5652 43.5313 0.0000 172.4614 23 R 4.0747 7.9390 112.9460 55.9956 33.5900 170.3299 24 L 3.6526 8.0937 131.1492 54.4576 39.1964 172.9073 25 R 4.4246 9.0958 125.6316 54.9349 31.2515 175.8356 26 L 4.7168 7.8379 130.5855 53.4107 40.3140 175.7344 27 S 4.8517 8.4456 117.2381 57.8167 63.8794 172.9440 28 V 4.9822 8.0317 123.7344 61.4315 35.3764 174.8808 29 F 4.8573 9.2221 126.8366 57.5343 42.0420 173.1761 30 R 4.6838 9.0995 128.5926 55.1614 29.3334 174.5055 31 S 4.3529 8.3490 118.3446 56.6796 63.5817 175.4613 32 L 3.8274 8.0957 127.3922 57.2785 41.6248 177.9978 33 K 4.4318 7.8906 116.6944 56.4335 34.3261 174.6617 34 H 5.0536 7.4818 116.3696 56.3669 30.4148 172.1495 35 I 4.5922 7.5160 115.5293 62.0281 40.1767 173.9756 36 Y 4.9195 9.0884 127.6340 56.9133 40.8057 174.9135 37 A 5.2068 8.0836 118.7488 51.2342 23.3460 175.5219 38 Q 4.9143 8.9458 120.0318 54.5480 32.9003 174.1943 39 I 4.5914 8.6404 122.5974 60.5300 38.7804 174.6616 40 I 4.4699 9.1494 129.7244 59.7277 38.5477 174.6280 41 D 4.8609 8.4705 128.0782 52.5329 41.3033 176.4636 42 D 4.7113 8.0673 125.8255 54.8485 41.4961 177.2410 43 E 4.0270 9.4596 118.1603 57.5629 27.5468 174.8502 44 K 4.5315 7.8517 115.4477 55.3745 37.7949 178.4585 45 G 4.0409 7.5785 103.4338 45.6601 0.0000 174.4253 46 V 3.7224 7.3552 119.2523 63.2586 32.1065 174.9846 47 T 4.8705 8.1670 121.2628 62.1027 70.6914 174.2661 48 L 4.6048 8.5161 123.0225 55.7990 43.9782 177.4361 49 V 4.6995 7.3254 116.3408 61.4876 34.9854 173.4189 50 S 5.2412 8.2445 119.7436 56.8776 66.1065 173.6543 51 A 4.3896 8.2891 115.6498 52.3242 21.7675 176.4791 52 S 4.7038 8.2459 118.0574 57.6068 66.8144 174.5849 53 S 4.6224 6.6902 124.0303 58.0225 60.3301 177.4430 54 L 3.6705 8.1922 123.2742 56.5047 41.5900 177.3169 55 A 4.0851 7.4061 119.6011 54.2726 18.5769 177.5247 56 L 4.4030 8.4202 117.0648 53.6509 42.7811 175.9069 57 K 3.8655 7.7785 117.1604 57.4201 29.1027 174.0437 58 L 4.5947 7.7386 118.4219 53.8027 46.8052 177.6826 59 K 4.8636 7.4276 115.1397 55.3084 35.3068 176.4687 60 G 4.1913 7.8842 101.6315 46.2500 0.0000 173.7645 61 N 4.6948 7.3020 117.7955 56.4873 39.1879 178.0745 62 K 3.6581 7.2082 116.8205 57.0537 34.7911 177.5258 63 T 3.7103 6.6137 112.4610 65.7548 69.1949 175.7268 64 E 4.0217 8.4083 126.6133 58.6462 30.4786 178.3820 65 V 3.5710 7.6657 119.2757 65.5894 31.2971 177.4313 66 A 4.0857 7.7836 119.7701 54.9392 18.6020 179.0417 67 R 3.9276 7.7016 115.5199 58.4750 30.6317 176.7108 68 Q 4.5221 8.2926 116.2444 57.2905 31.5600 177.7598 69 V 3.9136 7.4184 116.1053 63.3902 31.1321 178.4596 70 G 3.6505 7.9908 107.0857 48.2976 0.0000 175.8569 71 R 4.1518 7.9683 120.3443 59.0573 29.9195 177.6661 72 A 3.9455 7.9855 119.6382 55.0043 17.9705 179.1256 73 L 3.8995 8.0083 114.2197 58.2254 42.3037 178.8172 74 A 3.8232 8.2296 118.0623 55.3858 16.4035 178.8430 75 E 3.8357 8.8518 115.6819 58.8966 29.9988 179.6868 76 K 3.8394 8.1498 116.8986 59.6699 32.5077 178.8121 77 A 4.1465 8.7459 120.7650 55.2226 18.4158 179.5726 78 L 3.9151 8.3555 116.0471 57.6313 41.7536 179.7122 79 A 4.1110 7.2252 119.1735 55.1499 18.5941 178.3518 80 L 3.9569 7.6117 116.1829 58.4893 41.8114 177.5912 81 G 3.2839 8.3022 107.0157 45.0384 0.0000 173.2233 82 I 3.6753 7.5314 121.3656 61.9822 35.8866 175.2231 83 K 4.2228 8.1655 126.0114 56.8832 33.1456 175.9924 84 Q 5.0636 7.4615 117.1598 54.4559 30.8919 175.7511 85 V 4.5687 8.0323 111.2025 61.4658 35.5012 170.9981 86 A 4.9477 8.3930 124.9480 51.6543 22.0582 174.4876 87 F 5.2059 8.8561 117.4485 59.2136 43.0715 174.4138 88 D 4.2379 7.1503 115.3231 55.9686 44.4881 174.0987 89 R 3.9373 8.2752 128.2953 55.0474 32.1383 176.4952 90 G 3.9274 9.1783 109.6752 47.9148 0.0000 173.3070 91 P 4.8017 0.0000 0.0000 61.9217 30.8949 176.9317 92 Y 4.3074 8.5028 119.7278 60.0291 38.1537 178.6564 93 K 3.3850 8.1712 116.0450 56.5111 31.8636 174.5120 94 Y 3.6415 7.6618 112.6566 58.7036 36.7576 169.6508 95 H 4.4858 7.9334 120.0025 55.4835 33.9617 172.8048 96 G 3.6612 8.4330 114.6712 46.4462 0.0000 175.4756 97 R 3.9459 8.6864 110.9720 56.6953 29.7886 177.7789 98 V 3.5016 7.7784 120.3063 63.6283 30.3332 176.6420 99 K 4.2804 8.1857 131.1988 55.8219 32.0204 179.5446 100 A 4.4462 7.4359 123.2586 52.6371 17.0753 178.8542 101 L 4.5347 7.5525 121.4739 54.6312 42.0075 175.8152 102 A 4.7443 8.5574 121.1805 53.2789 18.6301 178.5885 103 E 3.7619 9.0381 116.8509 59.6246 31.4566 177.0508 104 G 3.8906 7.9884 113.5400 44.5999 0.0000 172.3555 105 A 4.3485 8.1371 129.2146 52.3796 16.0807 177.5501 106 R 4.5188 7.7713 116.9361 54.4283 33.9515 171.8093 107 E 3.6554 8.8249 124.0966 55.8362 30.9065 171.9214 108 G 2.7718 8.6752 112.2285 44.9965 0.0000 173.7619 *109 G 3.7078 7.5171 111.8018 45.8459 0.0000 171.5713 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 11 K 8.30 4.24 0.00 1.65 1.75 0.00 1.50 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.28 7.81 12 F 8.47 4.22 0.00 3.13 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 13 R 8.43 2.51 0.00 1.95 2.04 0.00 3.12 0.00 0.00 3.13 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 14 V 8.07 3.26 2.28 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 1.04 0.00 0.00 1.16 0.00 0.00 15 R 8.40 3.70 0.00 1.97 1.88 0.00 3.11 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 16 N 8.22 4.30 0.00 2.98 3.12 0.00 0.00 7.01 7.56 0.00 0.00 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 7.46 3.94 0.00 1.77 1.92 0.00 3.17 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 18 I 7.95 3.76 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.06 0.89 0.00 0.00 19 K 9.08 3.90 0.00 1.77 1.84 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.43 7.81 20 R 9.34 4.48 0.00 2.08 1.85 0.00 3.23 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 21 T 9.31 4.55 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 1.21 0.00 0.00 22 G 8.08 4.07 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 0.00 23 R 7.94 4.07 0.00 1.81 1.74 0.00 3.31 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 24 L 8.09 3.65 0.00 1.98 1.74 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 R 9.10 4.42 0.00 1.83 1.77 0.00 3.19 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 26 L 7.84 4.72 0.00 1.92 1.72 0.97 1.12 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 27 S 8.45 4.85 0.00 3.89 3.81 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 28 V 8.03 4.98 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 0.94 0.00 0.00 0.88 0.00 0.00 29 F 9.22 4.86 0.00 3.00 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 30 R 9.10 4.68 0.00 1.95 1.98 0.00 3.49 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 31 S 8.35 4.35 0.00 3.18 3.68 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 32 L 8.10 3.83 0.00 1.66 1.71 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.89 4.43 0.00 1.64 1.68 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.40 7.81 34 H 7.48 5.05 0.00 3.28 2.87 0.00 5.73 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.52 4.59 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.03 0.85 0.00 0.00 36 Y 9.09 4.92 0.00 3.04 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 37 A 8.08 5.21 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 38 Q 8.95 4.91 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 39 I 8.64 4.59 1.89 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 1.26 0.68 0.93 0.00 0.00 40 I 9.15 4.47 1.85 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 1.11 1.20 0.94 0.00 0.00 41 D 8.47 4.86 0.00 2.76 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.07 4.71 0.00 2.81 2.62 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 0.00 0.00 0.00 0.00 43 E 9.46 4.03 0.00 2.13 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 0.00 2.19 2.31 0.00 44 K 7.85 4.53 0.00 1.84 1.76 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.61 7.81 45 G 7.58 4.04 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 0.00 0.00 0.00 46 V 7.36 3.72 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 0.95 0.00 0.00 0.95 0.00 0.00 47 T 8.17 4.87 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 1.37 0.00 0.00 48 L 8.52 4.60 0.00 1.58 1.69 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.33 4.70 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 0.97 0.00 0.00 0.94 0.00 0.00 50 S 8.24 5.24 0.00 3.91 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 51 A 8.29 4.39 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 52 S 8.25 4.70 0.00 3.62 3.17 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 53 S 6.69 4.62 0.00 3.93 2.63 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 0.00 0.00 0.00 0.00 54 L 8.19 3.67 0.00 1.47 1.52 0.90 0.90 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 55 A 7.41 4.09 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 56 L 8.42 4.40 0.00 1.50 1.76 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.78 3.87 0.00 1.92 1.79 0.00 2.04 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.51 7.81 58 L 7.74 4.59 0.00 1.50 1.46 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.43 4.86 0.00 1.77 1.84 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.45 7.81 60 G 7.88 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 61 N 7.30 4.69 0.00 2.65 2.62 0.00 0.00 7.24 6.21 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 62 K 7.21 3.66 0.00 1.89 2.01 0.00 1.75 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.36 7.81 63 T 6.61 3.71 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 64 E 8.41 4.02 0.00 1.92 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 2.31 2.43 0.00 65 V 7.67 3.57 2.30 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 0.95 0.00 0.00 0.94 0.00 0.00 66 A 7.78 4.09 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 67 R 7.70 3.93 0.00 1.89 1.97 0.00 3.17 0.00 0.00 3.34 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 68 Q 8.29 4.52 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.60 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 69 V 7.42 3.91 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 0.77 0.00 0.00 0.96 0.00 0.00 70 G 7.99 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.97 4.15 0.00 1.91 2.00 0.00 3.15 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.66 0.00 72 A 7.99 3.95 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 73 L 8.01 3.90 0.00 1.73 1.79 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.23 3.82 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 75 E 8.85 3.84 0.00 2.02 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 0.00 2.33 2.40 0.00 76 K 8.15 3.84 0.00 1.98 1.89 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.38 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.66 7.81 77 A 8.75 4.15 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 78 L 8.36 3.92 0.00 1.59 1.80 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.23 4.11 1.30 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 0.00 0.00 80 L 7.61 3.96 0.00 1.77 1.79 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.30 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 0.00 0.00 0.00 82 I 7.53 3.68 1.89 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 1.31 0.86 0.93 0.00 0.00 83 K 8.17 4.22 0.00 1.72 1.76 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.42 7.81 84 Q 7.46 5.06 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.42 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 85 V 8.03 4.57 2.28 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 0.82 0.00 0.00 0.99 0.00 0.00 86 A 8.39 4.95 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 87 F 8.86 5.21 0.00 3.14 2.97 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 88 D 7.15 4.24 0.00 2.58 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 0.00 0.00 0.00 0.00 89 R 8.28 3.94 0.00 1.99 2.05 0.00 3.35 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 90 G 9.18 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.80 0.00 2.12 2.01 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.47 0.00 92 Y 8.50 4.31 0.00 3.34 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.17 3.38 0.00 1.86 1.93 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.46 7.81 94 Y 7.66 3.64 0.00 2.65 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 95 H 7.93 4.49 0.00 3.11 3.07 0.00 6.09 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 96 G 8.43 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.69 3.95 0.00 1.94 2.05 0.00 3.31 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 98 V 7.78 3.50 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 0.42 0.00 0.00 0.29 0.00 0.00 99 K 8.19 4.28 0.00 1.95 1.89 0.00 1.92 0.00 0.00 1.92 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.48 7.81 100 A 7.44 4.45 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 0.00 101 L 7.55 4.53 0.00 1.90 1.72 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.56 4.74 1.05 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 0.00 103 E 9.04 3.76 0.00 2.13 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 2.28 2.32 0.00 104 G 7.99 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 0.00 0.00 0.00 105 A 8.14 4.35 1.30 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 0.00 0.00 106 R 7.77 4.52 0.00 1.79 1.92 0.00 3.60 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 107 E 8.82 3.66 0.00 2.13 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 2.17 2.28 0.00 108 G 8.68 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 0.00 0.00 0.00 *109 G 7.52 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.