NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2383 8.3149 120.1380 55.8967 34.5011 175.2389 6 I 3.9565 7.7292 124.8327 58.8080 38.0340 175.4621 7 S 4.4060 9.3656 122.3430 58.1070 65.8375 174.9373 8 S 4.2445 8.6666 119.3107 62.0617 62.5942 176.9078 9 R 4.0233 8.2482 120.1781 59.5817 29.7973 178.6536 10 F 4.3384 7.9077 119.6741 61.4615 39.6474 177.1530 11 S 3.9433 7.8398 111.4046 61.5475 62.1740 176.2543 12 I 3.8074 8.3294 122.6917 63.9824 36.7745 178.1013 13 A 4.0116 8.3238 122.1108 55.2733 18.2891 179.7312 14 V 3.4296 7.6595 116.5701 66.4408 31.5515 177.7363 15 H 4.2238 8.0761 117.4039 59.3004 29.7255 177.1747 16 I 3.6995 8.2219 122.0399 64.5377 36.8312 178.2846 17 L 4.0288 8.3229 120.0496 57.9132 41.1605 179.9618 18 S 4.3468 7.8149 113.6868 61.8046 62.9485 176.2548 19 I 3.9547 7.9250 122.4610 64.4830 36.3106 178.3945 20 L 3.9906 7.9833 119.6565 57.7439 41.2567 179.2645 21 K 3.8845 7.6022 118.4149 58.6024 31.9914 177.0169 22 N 5.1340 7.8617 113.9921 52.3594 37.7454 173.5262 23 N 5.1165 7.6612 113.9257 51.1576 42.0361 172.9241 24 P 4.4148 0.0000 0.0000 62.4754 32.3933 177.7063 25 S 4.4438 8.7632 118.7592 61.3337 62.6855 176.8608 26 S 4.2554 8.0480 116.2931 59.9173 62.6543 175.0750 27 L 4.1123 7.6633 121.9049 55.1973 43.4111 176.3554 28 C 4.4713 7.9978 119.9790 58.9689 26.3167 172.4604 29 T 4.6501 7.2294 116.4353 60.4983 69.2329 175.3341 30 S 4.2605 8.7377 120.7541 61.9585 63.2566 176.1299 31 D 4.4690 8.2336 119.4909 57.6986 40.9553 178.6231 32 Y 3.8528 7.5984 116.9332 58.3574 38.3636 177.3565 *34 A 4.2053 8.1596 121.9740 51.6458 20.4034 179.7352 35 E 3.9233 7.9586 112.3362 59.3639 29.8172 178.4830 36 S 3.9625 7.6311 113.4725 60.3358 62.4408 174.8495 37 V 3.8032 7.4955 117.5157 62.2520 32.2889 174.1437 38 N 4.1558 8.4019 116.6386 54.7461 36.9977 172.0231 39 T 4.5143 7.3425 111.6960 61.0038 70.7178 171.3755 40 N 5.0678 8.3886 116.3908 50.3101 39.7231 173.7133 41 P 4.2908 0.0000 0.0000 65.9368 31.0486 178.9383 42 V 3.5289 7.4253 118.2685 65.7154 31.3193 178.0410 43 V 3.5255 7.9859 118.0366 66.1237 31.1726 177.5644 44 I 3.6405 7.7711 117.4869 64.9352 37.0183 177.7211 45 R 3.9974 7.9330 117.5369 59.2896 30.1091 178.8349 46 K 3.8402 7.9289 119.0904 59.2509 32.2796 179.7391 47 I 3.9679 7.7251 119.8747 61.5969 37.2031 178.1073 *49 S 4.3271 8.1012 116.2456 58.6170 64.4033 175.2676 50 Y 4.3839 7.4164 117.9957 61.2583 37.5415 178.4934 51 L 3.9802 8.2043 119.8976 57.2779 41.5880 179.4448 52 K 4.1421 7.9021 120.6555 59.2037 32.0935 178.5340 53 Q 3.9679 8.1154 118.3320 58.8584 29.0434 177.4167 54 A 4.0179 7.5179 119.5145 52.2321 18.5401 178.1311 55 G 3.8790 7.9076 105.7538 45.5704 0.0000 174.6426 56 F 4.9533 7.9867 120.5301 59.3611 40.3214 176.0111 57 V 5.1053 7.7515 110.2793 59.7690 36.2818 174.0107 58 Y 4.9781 8.5751 120.7433 55.5401 41.1507 175.0985 59 V 4.3104 8.1992 119.4993 63.3011 33.9696 173.4469 60 N 4.2848 9.6109 128.9939 55.1090 38.2830 177.1582 *64 G 4.1555 9.0841 111.6279 45.4476 0.0000 175.6589 65 G 3.9569 8.4271 116.6494 46.0018 0.0000 172.0489 66 A 4.8955 8.1392 126.3797 50.4023 23.2043 175.4099 67 G 3.8484 6.2042 104.3566 45.6590 0.0000 172.4189 68 L 4.8698 8.5897 119.6712 54.6603 41.8943 177.3247 69 L 4.7644 9.0927 121.9525 54.6588 43.7676 176.9006 70 K 4.6730 7.9621 116.6774 53.9477 35.0112 175.2937 71 D 4.4663 8.3380 120.9031 53.8601 42.2429 177.0994 72 L 3.8092 8.5913 125.5421 58.4302 41.7174 179.1709 73 H 4.2935 8.3872 114.0455 57.7856 28.6718 175.8207 74 E 4.3370 8.1618 117.7568 56.0103 29.6104 175.7306 75 I 4.1950 7.2668 121.5844 59.5145 38.0224 175.6555 76 T 4.2911 8.6086 117.1025 60.9303 71.0539 175.5876 77 L 4.1649 8.6326 121.5196 57.5782 41.4995 179.6931 78 L 3.9596 7.9287 120.2576 58.2533 42.0538 178.5069 79 D 4.6624 8.5093 119.3040 57.3630 40.5884 179.0397 80 V 3.9131 7.8817 118.4773 66.1606 31.1853 177.4128 81 Y 4.1526 8.5871 119.4675 61.1645 38.4151 177.7363 82 H 4.1872 8.6059 115.8756 58.9255 28.9121 177.1150 83 A 4.0823 8.1914 121.4105 54.8271 18.3122 179.1805 84 V 3.7811 7.2984 107.2006 60.4612 33.3731 176.6214 85 N 4.7119 7.2107 117.0508 51.0052 38.0303 174.3430 86 V 4.1255 6.8073 119.0681 59.3720 31.7994 176.0098 *105 I 4.1749 7.7253 128.2609 62.1845 39.5935 178.3529 106 G 3.7360 7.7898 105.4222 46.6893 0.0000 175.4941 107 A 4.0152 7.8590 123.0650 55.2732 18.5341 179.0069 108 N 4.2586 8.1879 114.5390 56.7468 38.6171 177.5290 109 I 3.7069 7.7613 121.0119 64.3463 37.1610 178.2747 110 Q 3.9657 7.9590 119.8245 58.9532 28.8228 178.2609 111 A 3.9487 8.1541 121.8920 55.1992 18.5116 179.7543 112 V 3.5703 8.0300 117.0848 66.1898 31.5593 178.2393 113 L 4.0184 8.0349 118.7226 57.6600 41.1955 179.2915 114 E 3.9507 8.2849 118.6332 59.5208 29.2141 179.3109 115 I 3.7203 7.9072 118.8559 64.6065 37.5939 178.2190 116 I 3.8675 7.8821 120.4531 64.3332 37.0090 178.1736 117 L 4.2259 8.0085 118.5885 56.4331 41.4571 179.0220 118 I 3.8301 7.4798 120.6593 64.7169 37.0830 178.1311 119 Q 4.0035 8.0892 118.0883 58.6631 28.2716 178.4761 120 A 4.0103 7.7555 120.8845 54.7740 18.6065 178.8692 121 Q 4.0273 8.2350 117.7511 59.6817 29.3927 178.5932 122 S 4.2894 8.2193 115.7962 61.3123 62.7673 177.1676 123 A 4.2846 7.7290 120.8820 52.6738 17.9946 179.0318 *125 E 4.0004 8.1747 122.4671 57.8972 31.8909 178.1637 126 E 3.9820 8.3480 119.1946 59.0943 29.3533 179.0272 127 V 3.5605 7.5057 117.5578 66.0736 31.5091 177.8048 128 L 4.1406 7.7221 118.2191 57.6013 41.2918 179.2242 129 R 3.9631 8.2350 118.4939 59.2288 30.0550 177.5114 130 N 4.7234 7.7908 113.0300 52.6931 38.9672 174.7493 131 I 4.9240 7.3187 121.8776 59.8315 41.8388 173.8540 132 T 4.8335 7.8802 113.2758 60.9208 67.9638 176.9563 *134 G 3.4824 8.7778 106.2338 45.4316 0.0000 174.4169 135 Q 4.2271 8.0263 121.0174 57.9208 28.6811 178.4396 136 L 3.9334 8.1505 121.6296 58.0978 42.2499 178.7754 137 F 4.0305 8.1725 119.8748 61.4536 39.3769 176.3890 138 E 4.0444 8.5549 118.5821 60.0120 29.1151 179.6220 139 T 4.1298 7.5883 107.5198 63.9784 69.2515 176.0224 140 L 4.2729 7.6732 119.1362 54.2064 42.1114 176.0045 141 Q 4.5241 6.9224 117.4967 54.1202 31.6682 175.4583 142 E 4.2186 8.1827 115.8335 57.0518 29.1469 175.0420 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 5 K 8.31 4.24 0.00 1.79 1.77 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.43 7.81 6 I 7.73 3.96 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.65 1.19 0.00 0.00 7 S 9.37 4.41 0.00 4.10 4.03 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 0.00 0.00 0.00 8 S 8.67 4.24 0.00 3.93 4.01 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 9 R 8.25 4.02 0.00 1.95 2.16 0.00 3.36 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.82 0.00 10 F 7.91 4.34 0.00 2.95 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 11 S 7.84 3.94 0.00 4.05 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 12 I 8.33 3.81 1.98 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 1.48 0.50 0.92 0.00 0.00 13 A 8.32 4.01 1.48 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 0.00 0.00 14 V 7.66 3.43 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 0.88 0.00 0.00 0.44 0.00 0.00 15 H 8.08 4.22 0.00 3.36 3.37 0.00 5.67 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 16 I 8.22 3.70 2.04 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 1.50 0.60 0.92 0.00 0.00 17 L 8.32 4.03 0.00 1.78 1.70 0.92 0.80 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 18 S 7.81 4.35 0.00 4.13 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 0.00 19 I 7.92 3.95 1.91 0.00 0.00 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 1.57 0.90 1.05 0.00 0.00 20 L 7.98 3.99 0.00 1.81 1.66 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.60 3.88 0.00 1.42 1.92 0.00 1.43 0.00 0.00 1.39 0.00 0.00 3.00 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 1.19 7.81 22 N 7.86 5.13 0.00 2.91 3.03 0.00 0.00 6.83 7.82 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 23 N 7.66 5.12 0.00 2.91 2.69 0.00 0.00 6.87 7.90 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 24 P 0.00 4.41 0.00 2.13 1.95 0.00 3.54 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 25 S 8.76 4.44 0.00 4.15 4.21 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 0.00 0.00 0.00 0.00 26 S 8.05 4.26 0.00 3.83 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 27 L 7.66 4.11 0.00 1.48 1.46 0.65 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.00 4.47 0.00 3.23 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 29 T 7.23 4.65 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 1.35 0.00 0.00 30 S 8.74 4.26 0.00 3.90 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 31 D 8.23 4.47 0.00 2.75 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 32 Y 7.60 3.85 0.00 3.23 2.99 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 0.00 0.00 0.00 *34 A 8.16 4.21 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.96 3.92 0.00 2.04 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 0.00 2.24 2.05 0.00 36 S 7.63 3.96 0.00 3.62 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 37 V 7.50 3.80 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 0.82 0.00 0.00 0.70 0.00 0.00 38 N 8.40 4.16 0.00 2.83 2.89 0.00 0.00 6.84 7.25 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 39 T 7.34 4.51 4.23 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 1.19 0.00 0.00 40 N 8.39 5.07 0.00 2.95 2.88 0.00 0.00 5.72 7.76 0.00 0.00 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 P 0.00 4.29 0.00 2.27 2.46 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 42 V 7.43 3.53 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 0.96 0.00 0.00 0.91 0.00 0.00 43 V 7.99 3.53 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 1.08 0.00 0.00 1.00 0.00 0.00 44 I 7.77 3.64 2.01 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 1.78 1.06 0.89 0.00 0.00 45 R 7.93 4.00 0.00 1.72 1.95 0.00 3.14 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 46 K 7.93 3.84 0.00 1.88 1.81 0.00 1.20 0.00 0.00 1.50 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.04 7.81 47 I 7.73 3.97 1.87 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 1.57 0.78 1.00 0.00 0.00 *49 S 8.10 4.33 0.00 3.80 3.78 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 50 Y 7.42 4.38 0.00 3.21 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 51 L 8.20 3.98 0.00 1.76 1.86 1.01 0.92 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 52 K 7.90 4.14 0.00 1.81 1.97 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.38 7.81 53 Q 8.12 3.97 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 54 A 7.52 4.02 0.48 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 0.00 0.00 55 G 7.91 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 0.00 0.00 0.00 0.00 56 F 7.99 4.95 0.00 3.01 3.03 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 0.00 0.00 0.00 57 V 7.75 5.11 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 1.03 0.00 0.00 0.93 0.00 0.00 58 Y 8.58 4.98 0.00 3.06 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 59 V 8.20 4.31 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 0.84 0.00 0.00 0.89 0.00 0.00 60 N 9.61 4.28 0.00 2.97 2.62 0.00 0.00 6.98 7.19 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 *64 G 9.08 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.43 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 0.00 0.00 0.00 66 A 8.14 4.90 1.07 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 67 G 6.20 3.85 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 0.00 0.00 0.00 68 L 8.59 4.87 0.00 1.57 1.79 0.84 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.09 4.76 0.00 1.77 1.79 1.10 0.98 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 70 K 7.96 4.67 0.00 1.70 1.68 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.49 7.81 71 D 8.34 4.47 0.00 2.75 2.52 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 0.00 0.00 0.00 0.00 72 L 8.59 3.81 0.00 1.50 1.62 0.40 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.39 4.29 0.00 3.24 3.36 0.00 5.83 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.16 4.34 0.00 2.04 1.96 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 2.27 2.41 0.00 75 I 7.27 4.20 1.70 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.83 0.31 0.00 0.00 76 T 8.61 4.29 4.38 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 1.26 0.00 0.00 77 L 8.63 4.16 0.00 2.04 2.02 0.99 0.48 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 78 L 7.93 3.96 0.00 1.79 1.67 0.77 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.51 4.66 0.00 2.79 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 80 V 7.88 3.91 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.94 0.00 0.00 81 Y 8.59 4.15 0.00 2.99 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 82 H 8.61 4.19 0.00 3.36 3.37 0.00 5.74 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 83 A 8.19 4.08 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 84 V 7.30 3.78 2.13 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 0.98 0.00 0.00 1.02 0.00 0.00 85 N 7.21 4.71 0.00 2.17 2.41 0.00 0.00 6.67 7.34 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 86 V 6.81 4.13 1.89 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 0.44 0.00 0.00 0.85 0.00 0.00 *105 I 7.73 4.17 1.87 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 1.35 0.60 0.91 0.00 0.00 106 G 7.79 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 0.00 107 A 7.86 4.02 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 0.00 108 N 8.19 4.26 0.00 2.91 2.89 0.00 0.00 7.11 7.22 0.00 0.00 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 I 7.76 3.71 1.87 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 1.41 0.83 0.91 0.00 0.00 110 Q 7.96 3.97 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 111 A 8.15 3.95 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 0.00 112 V 8.03 3.57 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 1.02 0.00 0.00 0.97 0.00 0.00 113 L 8.03 4.02 0.00 1.92 1.70 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.28 3.95 0.00 2.25 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 0.00 2.33 2.35 0.00 115 I 7.91 3.72 2.05 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 1.73 0.73 0.91 0.00 0.00 116 I 7.88 3.87 2.04 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 1.52 1.16 0.91 0.00 0.00 117 L 8.01 4.23 0.00 1.79 1.70 0.92 0.96 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 0.00 118 I 7.48 3.83 1.99 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 1.52 0.82 0.91 0.00 0.00 119 Q 8.09 4.00 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 120 A 7.76 4.01 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 0.00 121 Q 8.24 4.03 0.00 1.99 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 122 S 8.22 4.29 0.00 3.90 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 0.00 123 A 7.73 4.28 1.35 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 0.00 0.00 *125 E 8.17 4.00 0.00 2.16 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 2.08 2.36 0.00 126 E 8.35 3.98 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 2.29 2.34 0.00 127 V 7.51 3.56 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 0.87 0.00 0.00 0.97 0.00 0.00 128 L 7.72 4.14 0.00 1.72 1.65 0.34 0.87 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 0.00 129 R 8.24 3.96 0.00 1.86 2.11 0.00 3.41 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 130 N 7.79 4.72 0.00 2.92 2.83 0.00 0.00 6.81 7.35 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 0.00 131 I 7.32 4.92 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 1.36 0.72 0.92 0.00 0.00 132 T 7.88 4.83 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 1.21 0.00 0.00 *134 G 8.78 3.48 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 0.00 0.00 0.00 135 Q 8.03 4.23 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.25 0.00 136 L 8.15 3.93 0.00 1.85 1.69 0.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 137 F 8.17 4.03 0.00 3.13 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 0.00 138 E 8.55 4.04 0.00 2.27 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 2.45 2.53 0.00 139 T 7.59 4.13 4.22 0.00 0.00 0.00 0.00 0.00 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 0.00 140 L 7.67 4.27 0.00 1.60 1.61 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 6.92 4.52 0.00 1.65 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.67 0.00 0.00 0.00 0.00 0.00 1.38 1.16 0.00 142 E 8.18 4.22 0.00 1.99 1.80 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 2.13 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.