NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.2519 8.0549 113.9961 61.2116 33.1600 174.1543 4 L 4.6460 8.5277 123.1182 52.4662 45.7741 174.6851 5 F 5.1327 8.8351 120.0784 55.4520 42.5565 174.6904 6 A 4.1267 8.9620 126.3585 51.8021 19.3028 177.9875 7 K 3.8287 9.1691 122.6107 60.2792 32.5923 178.9545 8 T 3.9373 8.2410 114.8049 66.6536 68.2903 175.7278 9 F 3.9916 8.1801 122.4221 61.6922 38.8161 177.6057 10 V 3.5785 7.9281 117.0047 65.8251 31.1222 177.8603 11 K 3.9106 7.9794 117.7099 59.7543 32.2634 178.0027 12 D 4.4909 8.4331 119.4937 57.2332 40.7811 178.5269 13 L 3.7672 7.6752 120.8466 57.5953 41.8446 178.8482 14 K 4.0149 7.5202 116.7772 58.6992 31.9663 177.8122 15 H 4.7180 7.5360 114.9892 55.3152 29.7208 175.5068 16 V 3.4810 6.9031 121.2081 61.4524 32.0865 174.5837 17 P 4.5705 0.0000 0.0000 61.9961 33.5155 177.4203 18 G 3.9056 8.6678 106.4213 48.7022 0.0000 175.6513 19 H 4.2827 8.1638 117.2353 58.1718 28.5177 177.5689 20 I 3.7939 7.1818 122.1019 64.0469 37.0842 178.2339 21 R 3.8188 7.9868 119.0429 59.0583 29.9167 179.2132 22 K 3.9570 8.1374 118.3191 59.6330 32.1474 179.6289 23 R 3.9896 7.6337 116.9306 59.1634 29.9617 179.1944 24 I 3.7926 8.0663 120.0160 64.1650 37.1163 178.2382 25 K 3.8752 8.1276 120.4508 59.6649 31.9364 178.7395 26 L 4.0841 7.8606 118.8261 57.7776 41.5987 179.7241 27 I 3.7601 7.7036 119.5621 64.3893 37.1862 178.4330 28 I 3.6374 8.2077 120.9416 64.5799 35.4406 178.1812 29 E 3.9666 8.7084 119.5976 59.4669 29.3679 179.3042 30 E 4.0341 8.0566 119.0525 59.3085 29.8358 178.1824 31 C 4.4016 7.9903 112.6073 59.7928 29.6444 175.3070 32 Q 3.9196 7.8694 122.7487 59.0991 28.7912 176.9930 33 N 4.6229 7.5504 115.8501 54.2889 38.0279 176.5477 34 S 4.4253 7.9083 114.7397 57.5652 64.0776 173.4575 35 N 4.3045 8.2858 119.7643 53.6089 37.8178 173.5064 36 S 4.5953 7.6685 107.7617 56.7829 66.0955 173.5966 37 L 4.4270 8.1334 120.5816 54.6872 41.8445 177.3848 38 N 4.4106 7.2005 117.9463 52.6330 36.8921 173.6498 *40 L 4.1080 8.0051 122.0267 54.1316 42.9774 178.4131 41 K 4.4904 8.6307 119.7121 57.3103 32.1308 176.7816 42 L 4.1544 7.8324 120.3997 55.3324 42.1298 177.7635 43 D 4.7069 8.5166 123.7095 53.3891 39.6906 173.2773 44 I 5.0249 7.7895 121.2365 58.5429 40.9898 173.9777 45 K 4.7637 9.0694 128.9247 54.5461 36.2286 174.7358 46 K 4.4546 8.6801 127.2115 56.0225 33.1164 176.2155 47 I 4.0368 8.3274 129.0974 60.5696 37.9049 175.8541 48 K 4.0326 8.7099 129.0077 57.6851 32.6218 177.1075 49 G 3.8009 8.9820 112.7229 45.4548 0.0000 172.5412 50 Y 4.4433 7.1903 114.4338 56.0816 41.2344 174.2726 51 H 4.4902 8.2679 121.0197 55.7223 30.9263 174.7074 52 N 4.3917 8.4495 123.1868 54.4785 36.4042 172.5288 53 Y 5.3378 7.0847 115.3009 56.8722 40.2617 174.6651 54 Y 5.2334 9.0888 120.2967 56.2370 42.9890 174.0555 55 R 5.0284 9.3233 122.6596 54.6558 33.3189 174.1472 56 I 4.9052 8.5368 127.0934 59.6939 39.5129 174.8549 57 R 4.6682 8.7500 127.2939 55.5086 31.1728 176.8797 58 V 4.2552 9.0590 124.2471 61.3903 33.1939 176.7533 59 G 3.8225 8.1263 119.2949 46.9960 0.0000 173.2008 60 N 4.5163 8.9469 123.1602 53.7279 39.0048 173.6056 61 Y 4.9083 8.0996 117.0611 56.6725 40.6067 174.7225 62 S 5.1689 9.0427 117.9021 56.9295 66.7106 173.0605 63 I 4.8001 9.0796 126.1964 60.0596 39.0020 174.8600 64 G 4.1808 9.4898 115.7601 44.9075 0.0000 172.5112 65 I 4.7858 8.6494 126.8192 59.2330 40.8348 174.1252 66 E 5.1036 8.7986 127.0206 54.4982 32.1041 174.8035 67 V 4.5839 8.7693 127.5843 61.5826 32.4680 175.1501 68 N 4.6349 9.2198 129.1363 52.4183 39.2919 177.6741 69 G 3.9675 9.1862 118.7615 46.1901 0.0000 171.8420 70 D 4.8209 9.3660 115.6810 53.8282 42.6953 173.9942 71 T 4.4933 7.8880 115.4218 61.7936 70.3661 173.1379 72 I 4.4889 8.1282 127.1591 60.1455 39.1033 174.5880 73 I 4.6829 8.7208 128.4789 59.3270 39.9929 175.0642 74 F 4.0989 8.9644 127.9705 57.4059 38.9090 176.2978 75 R 4.3562 8.8344 123.4423 57.5909 31.2545 177.4364 76 R 5.1701 7.9721 116.2503 54.3240 34.9306 174.7654 77 V 4.8868 8.7259 120.9865 60.2014 33.7425 174.8611 78 L 4.9800 9.0956 125.3373 52.6541 46.0915 176.0293 79 H 3.7022 8.7263 122.3620 55.3164 30.4773 176.0840 80 R 3.7388 8.1778 123.7828 59.6496 28.5706 179.2611 81 K 4.2991 8.2413 118.6506 60.0114 32.7446 179.0690 82 S 4.4159 8.3550 116.1686 61.0001 62.8441 176.5612 83 I 4.0750 7.5393 122.4593 64.3558 36.5690 177.8236 84 Y 4.2393 7.4899 118.1018 61.2465 37.4079 178.4300 85 D 4.3934 7.7309 117.8630 57.2097 40.9524 177.2200 86 Y 4.2700 7.8390 115.2502 59.2130 38.3730 175.1454 87 F 4.6192 7.9848 123.0601 56.0529 40.5961 173.6166 88 P 3.8441 0.0000 0.0000 62.6075 31.2557 175.0072 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 V 8.05 4.25 1.47 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 1.00 0.00 0.00 0.87 0.00 0.00 4 L 8.53 4.65 0.00 1.46 1.48 0.91 0.75 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 5 F 8.84 5.13 0.00 2.80 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 6 A 8.96 4.13 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 7 K 9.17 3.83 0.00 1.82 1.90 0.00 1.79 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.48 7.81 8 T 8.24 3.94 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 1.26 0.00 0.00 9 F 8.18 3.99 0.00 3.45 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.93 3.58 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 0.92 0.00 0.00 0.99 0.00 0.00 11 K 7.98 3.91 0.00 1.81 1.98 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.55 7.81 12 D 8.43 4.49 0.00 2.60 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 13 L 7.68 3.77 0.00 1.72 1.62 0.67 0.32 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 14 K 7.52 4.01 0.00 1.80 1.72 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.56 7.81 15 H 7.54 4.72 0.00 3.29 3.39 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 6.90 3.48 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 0.21 0.00 0.00 0.72 0.00 0.00 17 P 0.00 4.57 0.00 2.26 2.17 0.00 3.04 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.07 0.00 18 G 8.67 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 19 H 8.16 4.28 0.00 3.36 3.56 0.00 5.46 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.18 3.79 1.49 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 1.19 0.62 0.64 0.00 0.00 21 R 7.99 3.82 0.00 1.90 1.90 0.00 3.22 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 22 K 8.14 3.96 0.00 1.96 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.68 7.81 23 R 7.63 3.99 0.00 2.07 2.00 0.00 3.16 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 24 I 8.07 3.79 2.02 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.67 1.09 0.00 0.00 25 K 8.13 3.88 0.00 1.91 1.98 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.52 7.81 26 L 7.86 4.08 0.00 2.00 1.72 0.95 0.57 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 27 I 7.70 3.76 2.16 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 1.59 1.23 1.11 0.00 0.00 28 I 8.21 3.64 1.95 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 0.98 0.99 0.94 0.00 0.00 29 E 8.71 3.97 0.00 2.17 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 2.33 2.37 0.00 30 E 8.06 4.03 0.00 2.20 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 2.31 2.46 0.00 31 C 7.99 4.40 0.00 3.36 3.20 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 0.00 32 Q 7.87 3.92 0.00 2.20 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 33 N 7.55 4.62 0.00 2.96 2.92 0.00 0.00 7.00 7.52 0.00 0.00 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 S 7.91 4.43 0.00 4.06 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 35 N 8.29 4.30 0.00 2.78 2.86 0.00 0.00 6.96 8.49 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 36 S 7.67 4.60 0.00 3.87 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 37 L 8.13 4.43 0.00 1.43 1.60 0.59 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.20 4.41 0.00 2.75 2.77 0.00 0.00 6.89 7.73 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 *40 L 8.01 4.11 0.00 1.67 1.64 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.63 4.49 0.00 1.85 1.91 0.00 1.47 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.53 7.81 42 L 7.83 4.15 0.00 1.63 1.65 0.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.52 4.71 0.00 2.78 2.74 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 44 I 7.79 5.02 1.86 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.25 0.94 0.00 0.00 45 K 9.07 4.76 0.00 1.83 1.59 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.40 7.81 46 K 8.68 4.45 0.00 1.86 1.67 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.47 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.19 0.85 7.81 47 I 8.33 4.04 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.97 0.97 0.00 0.00 48 K 8.71 4.03 0.00 1.74 1.76 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.44 7.81 49 G 8.98 3.80 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 0.00 0.00 0.00 50 Y 7.19 4.44 0.00 2.84 2.33 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 51 H 8.27 4.49 0.00 3.08 3.07 0.00 6.02 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.45 4.39 0.00 3.06 3.14 0.00 0.00 7.02 7.48 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 53 Y 7.08 5.34 0.00 2.76 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 54 Y 9.09 5.23 0.00 2.71 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 55 R 9.32 5.03 0.00 1.77 1.74 0.00 3.04 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 56 I 8.54 4.91 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.43 1.00 0.00 0.00 57 R 8.75 4.67 0.00 1.82 1.89 0.00 3.30 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 58 V 9.06 4.26 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 1.02 0.00 0.00 1.01 0.00 0.00 59 G 8.13 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 0.00 0.00 0.00 60 N 8.95 4.52 0.00 2.67 2.43 0.00 0.00 6.77 7.48 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 61 Y 8.10 4.91 0.00 3.11 2.89 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 62 S 9.04 5.17 0.00 3.67 3.70 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 63 I 9.08 4.80 1.97 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.80 1.28 0.00 0.00 64 G 9.49 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 65 I 8.65 4.79 1.64 0.00 0.00 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 -0.03 -0.14 0.63 0.00 0.00 66 E 8.80 5.10 0.00 1.93 1.73 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 2.29 2.45 0.00 67 V 8.77 4.58 2.29 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 0.80 0.00 0.00 0.74 0.00 0.00 68 N 9.22 4.63 0.00 2.82 2.72 0.00 0.00 6.84 8.12 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 69 G 9.19 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 0.00 0.00 0.00 70 D 9.37 4.82 0.00 2.61 2.61 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 0.00 0.00 0.00 71 T 7.89 4.49 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 1.17 0.00 0.00 72 I 8.13 4.49 1.81 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 1.19 0.64 0.65 0.00 0.00 73 I 8.72 4.68 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.69 0.85 0.00 0.00 74 F 8.96 4.10 0.00 2.05 1.71 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 75 R 8.83 4.36 0.00 1.66 1.91 0.00 2.87 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 76 R 7.97 5.17 0.00 1.62 1.79 0.00 3.25 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.35 0.00 77 V 8.73 4.89 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 0.01 0.00 0.00 0.97 0.00 0.00 78 L 9.10 4.98 0.00 1.52 1.55 0.72 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.73 3.70 0.00 2.59 2.94 0.00 5.70 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.18 3.74 0.00 1.95 2.05 0.00 2.75 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.67 0.00 81 K 8.24 4.30 0.00 2.08 2.21 0.00 1.43 0.00 0.00 1.64 0.00 0.00 2.55 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.53 7.81 82 S 8.35 4.42 0.00 4.10 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 83 I 7.54 4.08 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.15 0.82 0.00 0.00 84 Y 7.49 4.24 0.00 3.19 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 85 D 7.73 4.39 0.00 2.45 2.49 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 86 Y 7.84 4.27 0.00 3.12 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 87 F 7.98 4.62 0.00 3.03 3.15 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 88 P 0.00 3.84 0.00 1.87 1.01 0.00 3.84 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.