NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.5508 8.3531 120.5462 55.2893 42.1724 175.0956 5 G 3.8737 8.9549 108.9962 45.3100 0.0000 171.9579 6 Y 4.5382 8.5589 119.1841 57.3045 38.8379 173.5507 7 F 4.5248 9.0363 123.2840 57.3149 40.2902 175.8027 8 E 4.8235 7.9269 119.0987 53.2101 32.8420 173.8085 9 P 4.1810 0.0000 0.0000 63.1762 32.1217 177.5139 10 T 3.5549 8.4708 113.0693 64.7452 68.4597 175.5730 11 Q 4.1705 7.8727 116.9773 57.2085 28.8680 175.9987 12 E 4.4279 8.1226 117.8580 56.3325 30.1111 175.6204 13 L 4.8029 7.3678 119.7062 52.4755 44.1355 177.2589 14 S 4.4102 8.3709 117.4638 58.1421 65.1583 174.9178 15 D 4.3934 8.7788 122.8225 57.7440 40.2725 179.0796 16 E 4.0025 8.0863 118.2604 59.7505 29.9202 178.4178 17 T 4.0858 7.5338 113.9219 66.9219 68.7242 176.5738 18 R 4.3335 8.4554 120.0983 58.9414 30.0864 178.1902 19 D 4.7011 8.3491 118.7465 54.8210 41.1499 178.0163 *21 H 4.5914 8.1609 120.3414 56.3707 31.8846 175.0321 22 R 3.6904 8.1831 118.3163 59.4229 29.8021 178.9203 23 A 3.8092 7.7625 120.1353 55.0684 18.3688 179.8434 24 I 3.6449 7.5165 117.9033 64.3485 37.2325 178.3392 25 I 3.6048 7.8113 119.7924 64.1451 37.7868 178.0768 26 S 4.1899 7.8729 116.0420 61.3996 62.6054 176.5683 27 L 3.8999 7.9102 122.9780 58.2163 41.8525 178.9742 28 R 3.9160 8.2535 118.4521 59.6229 30.0983 178.9155 29 E 3.9500 8.4688 118.3569 59.2618 29.4634 179.3764 30 E 3.9719 8.2105 118.7179 59.3342 29.6094 179.2314 31 L 3.9705 7.9495 118.9788 57.8515 41.6414 179.1421 32 E 3.8803 8.3774 119.0089 59.1822 29.4164 178.4111 33 A 3.7992 7.8388 120.6114 55.2831 18.3913 179.7395 34 V 3.8348 7.7077 116.1558 66.2169 31.6719 177.3453 35 D 4.3234 8.0677 117.6300 57.6056 40.9572 178.3365 36 L 3.9349 8.5760 119.6293 58.1306 41.5644 179.1977 37 Y 4.3015 8.6770 117.7405 61.2146 37.7842 178.3195 38 N 4.3541 8.8463 118.3748 56.6517 39.0173 177.0771 39 Q 3.9938 8.2656 119.5604 59.1376 28.6604 178.9398 40 R 4.0344 8.0661 117.8019 58.8062 30.2733 179.2273 41 V 3.7152 8.1557 118.6833 66.1589 31.4445 177.3331 42 N 4.2190 7.8985 115.1692 56.2517 38.7071 175.4156 43 A 4.5558 7.7302 119.0666 51.2194 20.6683 176.5212 44 C 4.2587 7.4201 117.9064 59.4144 32.3780 173.0874 45 K 4.2810 8.5126 125.2451 58.3832 32.5091 176.8883 46 D 4.4906 7.7595 118.4661 54.0097 42.1274 177.0833 47 K 4.0347 8.7407 125.7925 59.4590 32.2220 179.3594 48 E 3.8946 8.1652 118.3519 59.5367 29.4861 178.8187 49 L 3.9394 8.9531 120.5517 58.1728 41.9140 179.0361 50 K 3.8913 7.7087 118.4068 59.3467 32.1842 178.5303 51 A 3.9446 7.9280 120.9497 55.2934 18.3142 179.2702 52 I 3.5805 7.5616 118.2034 64.7245 37.1595 178.3604 53 L 3.6403 8.2485 119.3987 57.8172 41.5282 179.3693 54 A 3.8840 8.1795 120.8018 55.4409 18.3844 178.8711 55 H 3.9260 8.6706 116.7867 59.6880 30.0034 177.0378 56 N 4.0244 8.1691 118.3329 56.1366 38.1155 177.2357 57 R 3.9077 7.4498 120.0414 59.8010 29.9451 178.3509 58 D 4.4516 7.7132 117.0190 56.9692 41.1512 178.0706 59 E 3.9847 7.9266 119.8616 59.1830 29.6125 178.6227 60 E 3.8761 7.9755 118.1447 58.6862 29.4878 179.2833 61 K 4.0370 7.6808 117.6749 59.0532 31.7624 178.8885 62 E 3.9117 7.6647 118.5667 59.7766 29.7371 178.0558 63 H 4.3057 8.2894 114.0325 58.9555 28.9788 177.1954 64 A 4.1882 8.0661 122.1013 55.0285 18.2139 180.8648 65 A 4.1080 7.8409 117.6575 52.9004 18.8606 179.3508 *67 L 4.2675 7.9451 122.8145 56.3466 44.0353 179.3319 68 L 4.0831 8.2123 119.9838 57.8059 41.9539 178.5315 69 E 3.9905 8.6040 119.7004 59.1113 29.4225 178.4315 70 W 4.1424 8.2595 126.4442 60.6995 31.0468 177.4005 71 I 3.9386 8.2856 119.8782 64.2725 36.5645 178.5457 72 R 4.0557 8.0445 116.9523 59.6154 29.0683 179.1746 73 R 4.0293 7.7556 117.6617 57.6092 29.9098 177.1559 74 C 4.6532 7.3202 111.8728 57.4496 30.0247 174.0915 75 D 4.6395 7.9724 120.9411 51.1746 41.3506 173.5891 76 P 4.3555 0.0000 0.0000 65.2653 30.9640 177.7380 77 A 4.0485 8.0806 119.0172 54.8613 18.4488 179.2149 78 F 4.1449 8.5918 119.4499 61.1091 39.3250 177.0652 79 D 4.3325 8.6441 118.4272 56.9892 40.9606 177.9705 80 K 3.8600 8.2067 120.1840 59.7901 32.3725 178.5740 81 E 4.0370 7.7703 117.7692 59.4997 29.3507 179.5319 82 L 3.9652 7.5368 118.4738 57.4687 41.3931 179.6392 83 K 4.0646 7.5332 118.0161 59.4029 32.0129 178.8503 84 D 4.3065 7.9865 118.5930 56.8902 40.7699 177.4182 85 Y 4.4267 7.6526 114.9912 58.2189 39.4758 176.6211 86 L 4.0074 7.3797 118.5466 55.1159 42.8530 176.4075 87 F 3.8828 7.7417 118.2058 59.3651 36.4141 174.7445 88 T 4.7667 7.6099 107.6628 59.9827 71.8663 173.6071 89 N 4.9343 8.5833 117.2817 52.2390 37.9913 174.7155 90 K 4.3122 7.7043 117.8880 55.5140 33.8794 174.9795 91 P 4.3795 0.0000 0.0000 63.3414 31.9260 176.6294 92 I 4.1124 8.4070 122.3929 63.4131 37.7023 175.6048 93 A 4.8468 7.5999 119.5888 50.6611 22.1371 175.4150 94 H 4.5617 8.8260 111.9122 56.0322 28.7688 173.3789 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 4 D 8.35 4.55 0.00 2.69 2.71 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 5 G 8.95 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 0.00 0.00 0.00 6 Y 8.56 4.54 0.00 2.99 2.82 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 7 F 9.04 4.52 0.00 2.97 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 8 E 7.93 4.82 0.00 1.98 1.85 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 2.30 2.29 0.00 9 P 0.00 4.18 0.00 2.13 1.96 0.00 3.62 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 2.33 2.08 0.00 10 T 8.47 3.55 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 0.07 0.00 0.00 11 Q 7.87 4.17 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 12 E 8.12 4.43 0.00 2.09 2.03 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 2.27 2.25 0.00 13 L 7.37 4.80 0.00 1.77 1.62 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.37 4.41 0.00 4.08 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 15 D 8.78 4.39 0.00 2.74 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 16 E 8.09 4.00 0.00 2.01 2.03 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 2.36 2.47 0.00 17 T 7.53 4.09 4.43 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 0.00 0.00 0.00 1.28 0.00 0.00 18 R 8.46 4.33 0.00 2.07 2.15 0.00 3.31 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 19 D 8.35 4.70 0.00 2.97 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 *21 H 8.16 4.59 0.00 3.19 3.50 0.00 5.89 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.18 3.69 0.00 1.91 1.80 0.00 3.34 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 1.59 1.80 0.00 23 A 7.76 3.81 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 24 I 7.52 3.64 1.80 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 1.41 0.58 0.83 0.00 0.00 25 I 7.81 3.60 1.61 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 1.57 1.55 0.72 0.00 0.00 26 S 7.87 4.19 0.00 3.88 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 L 7.91 3.90 0.00 1.81 1.87 0.99 0.97 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 28 R 8.25 3.92 0.00 1.96 1.95 0.00 3.13 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 29 E 8.47 3.95 0.00 2.11 1.97 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 2.30 2.31 0.00 30 E 8.21 3.97 0.00 2.16 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 2.55 2.54 0.00 31 L 7.95 3.97 0.00 1.90 1.72 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.38 3.88 0.00 2.00 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 2.25 2.30 0.00 33 A 7.84 3.80 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.71 3.83 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 0.95 0.00 0.00 0.97 0.00 0.00 35 D 8.07 4.32 0.00 2.84 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 36 L 8.58 3.93 0.00 1.58 1.53 0.81 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.68 4.30 0.00 3.11 2.92 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 38 N 8.85 4.35 0.00 2.87 3.07 0.00 0.00 7.23 6.93 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 39 Q 8.27 3.99 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 40 R 8.07 4.03 0.00 2.07 2.07 0.00 3.13 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 41 V 8.16 3.72 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 1.01 0.00 0.00 42 N 7.90 4.22 0.00 2.99 3.00 0.00 0.00 7.16 7.91 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 43 A 7.73 4.56 1.34 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 0.00 0.00 0.00 44 C 7.42 4.26 0.00 3.32 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 45 K 8.51 4.28 0.00 1.78 1.83 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.35 7.81 46 D 7.76 4.49 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.74 4.03 0.00 1.84 1.83 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.53 7.81 48 E 8.17 3.89 0.00 2.21 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 2.40 2.43 0.00 49 L 8.95 3.94 0.00 1.79 1.75 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.71 3.89 0.00 2.06 1.99 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.47 7.81 51 A 7.93 3.94 1.34 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 0.00 0.00 0.00 52 I 7.56 3.58 2.02 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 1.49 0.70 0.89 0.00 0.00 53 L 8.25 3.64 0.00 1.83 1.77 1.00 0.94 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 54 A 8.18 3.88 1.34 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 0.00 0.00 0.00 55 H 8.67 3.93 0.00 3.11 3.48 0.00 5.60 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 56 N 8.17 4.02 0.00 1.78 2.37 0.00 0.00 6.75 7.37 0.00 0.00 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 R 7.45 3.91 0.00 1.88 2.05 0.00 3.13 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 58 D 7.71 4.45 0.00 2.64 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 59 E 7.93 3.98 0.00 2.03 1.78 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 2.27 2.29 0.00 60 E 7.98 3.88 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.23 0.00 61 K 7.68 4.04 0.00 2.02 1.87 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.62 7.81 62 E 7.66 3.91 0.00 1.99 2.20 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 2.40 2.40 0.00 63 H 8.29 4.31 0.00 3.43 3.42 0.00 5.78 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.07 4.19 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 A 7.84 4.11 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.95 4.27 0.00 1.96 1.80 0.97 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.21 4.08 0.00 1.85 1.98 1.25 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.60 3.99 0.00 2.24 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 0.00 2.38 2.44 0.00 70 W 8.26 4.14 0.00 3.33 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.29 3.94 2.11 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 1.81 1.40 0.74 0.00 0.00 72 R 8.04 4.06 0.00 2.13 2.36 0.00 2.77 0.00 0.00 3.61 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.73 0.00 73 R 7.76 4.03 0.00 1.52 1.89 0.00 3.03 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 74 C 7.32 4.65 0.00 2.82 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.97 4.64 0.00 2.71 2.66 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 76 P 0.00 4.36 0.00 2.20 2.10 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 77 A 8.08 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.59 4.14 0.00 3.48 3.11 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 0.00 0.00 0.00 0.00 79 D 8.64 4.33 0.00 2.97 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 80 K 8.21 3.86 0.00 1.85 1.94 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.46 7.81 81 E 7.77 4.04 0.00 1.75 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 2.51 2.50 0.00 82 L 7.54 3.97 0.00 1.60 1.64 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.53 4.06 0.00 1.83 1.85 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.54 7.81 84 D 7.99 4.31 0.00 2.66 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 85 Y 7.65 4.43 0.00 2.87 2.92 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 86 L 7.38 4.01 0.00 1.77 1.07 0.82 0.62 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 87 F 7.74 3.88 0.00 3.18 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 88 T 7.61 4.77 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 1.29 0.00 0.00 89 N 8.58 4.93 0.00 2.81 2.93 0.00 0.00 6.07 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 90 K 7.70 4.31 0.00 1.87 1.83 0.00 1.52 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.44 7.81 91 P 0.00 4.38 0.00 2.08 2.06 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 92 I 8.41 4.11 1.89 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 0.77 0.89 0.00 0.00 93 A 7.60 4.85 1.23 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 94 H 8.83 4.56 0.00 3.22 3.21 0.00 5.56 0.00 0.00 0.00 0.00 6.91 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.