NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.3658 8.0932 114.7924 58.0621 64.5088 173.9537 2 L 3.9525 8.3247 118.8992 56.6119 41.1252 178.7314 3 F 4.1715 8.6550 121.4232 61.2670 39.7713 176.5347 4 E 3.7758 8.1165 117.6161 59.3108 29.2936 178.6697 5 L 4.0009 7.9768 120.3051 58.5422 42.1198 179.4932 6 G 3.5537 8.2175 105.3119 47.4666 0.0000 175.6014 7 K 3.7965 7.7027 121.9785 59.3339 32.0572 178.8978 8 M 3.8580 8.1363 119.3299 58.4078 31.8233 178.6749 9 I 3.5383 7.6384 119.8210 64.2872 37.1470 178.1432 10 L 4.2038 7.6846 122.3004 57.8229 41.6562 179.1241 11 Q 3.6198 7.8343 117.0354 58.4675 28.4931 178.3255 12 E 4.3111 8.1298 119.2526 59.5029 30.1413 178.7942 13 T 4.1460 8.2002 110.0035 63.9428 68.9501 176.3944 *15 G 4.1891 7.6406 107.0353 44.4800 0.0000 172.1438 16 K 4.4361 7.4896 118.9908 53.9564 34.5543 175.2488 17 N 4.5856 8.3771 119.7595 52.6852 39.1838 173.7706 18 P 4.4416 0.0000 0.0000 66.0241 31.5995 178.3805 19 A 3.9728 8.2092 120.7498 54.6219 18.1131 178.4172 20 K 4.1552 8.1064 116.2309 59.5842 32.5979 178.4968 21 S 4.4941 8.1474 115.4133 60.2681 62.9151 173.4734 22 Y 4.8633 7.9331 116.2800 56.1787 41.8200 174.8483 23 G 4.1205 10.4093 107.5425 46.1762 0.0000 175.7771 24 A 4.7071 7.4671 118.4391 53.2213 20.8947 174.9724 25 Y 4.4129 8.0652 119.8230 59.0736 40.2697 176.0302 26 G 3.4634 7.7556 115.7889 47.1905 0.0000 173.5164 27 C 4.7076 9.3909 118.0939 57.1269 41.2263 174.0571 28 N 4.7025 8.6094 115.8485 53.9434 40.5036 174.2719 29 C 4.5216 8.3566 116.8624 57.4804 40.9121 171.1620 30 G 4.1940 8.4940 114.8220 44.5930 0.0000 174.9212 *31 V 4.2141 8.5805 124.8217 61.4085 32.1033 172.8086 *32 L 4.5284 8.0316 118.7586 54.9470 41.1423 182.6236 33 G 3.8467 8.0525 107.2637 45.9981 0.0000 173.0166 34 R 4.6993 8.0245 118.8156 55.0010 32.5052 174.4364 35 G 4.0697 8.5677 105.4285 45.3624 0.0000 173.6186 36 G 3.7502 8.2909 108.0577 45.4890 0.0000 172.2460 37 P 4.4923 0.0000 0.0000 63.3287 31.4208 176.6994 38 K 4.0238 8.7814 122.6493 58.3157 32.9705 175.9506 39 D 4.6257 7.4244 115.4425 51.2721 42.2355 174.9616 40 A 3.9864 8.9004 119.6106 56.0487 17.8853 179.6619 41 T 3.8150 8.0640 113.6834 67.1649 68.5617 176.1268 42 D 4.4867 9.1902 119.9667 57.2911 41.1563 178.2008 43 R 3.9945 8.1805 119.4546 59.3166 29.9385 177.8799 44 C 4.2926 8.1661 116.6177 60.3290 41.3028 175.4995 45 C 4.1044 7.9826 117.5347 59.7084 37.7752 175.5970 46 Y 3.9505 7.9709 121.4676 60.7964 38.4042 178.1541 47 V 3.5052 8.1237 119.2573 66.0724 31.6230 177.3690 48 H 3.9666 8.3168 118.0649 59.3475 29.5237 177.5490 49 K 3.7437 7.7448 118.4960 59.2381 31.9156 178.4361 50 C 4.3001 7.7973 117.1902 59.7203 39.8549 175.1416 51 C 4.1753 8.0928 119.9471 59.8340 40.0152 174.9977 52 Y 4.2260 7.9501 118.1939 60.6344 37.3728 177.7551 53 K 4.1839 7.6379 117.6827 57.9445 31.8063 178.5327 *57 K 4.5911 7.7494 117.9024 56.1056 34.0420 176.4006 58 L 3.8338 7.4551 118.8159 55.4942 41.6921 176.8333 59 T 4.3080 8.3522 120.6563 65.7519 68.9975 173.9128 60 G 4.0955 8.9837 114.6639 45.1768 0.0000 170.7454 61 C 5.1807 7.7267 112.5210 52.1531 45.6218 172.4873 *67 D 4.7625 8.2282 117.7631 53.5408 41.4146 174.1253 68 P 4.0657 0.0000 0.0000 65.5617 31.4624 179.0475 69 K 4.0899 8.2730 116.4834 58.3024 32.3760 177.6167 70 K 4.3777 8.0970 115.2202 57.8194 33.7426 176.5164 71 D 4.3646 8.1268 119.1242 55.0342 41.1162 176.6551 72 R 4.3945 8.3818 122.9959 55.4509 31.4696 174.7158 73 Y 5.0002 7.4679 116.9424 55.7799 41.6076 173.6735 74 S 5.1180 10.4840 115.6457 56.7442 64.8105 172.3325 75 Y 5.4594 8.5910 123.4433 55.8170 41.2987 174.0517 76 S 4.7011 9.6558 116.0070 56.6510 66.9981 173.2117 77 W 5.1384 8.8050 132.0405 55.4383 31.1726 173.0129 78 K 4.3427 8.6250 126.0551 55.1778 33.3316 176.0314 79 D 3.9876 9.2585 126.1523 55.4109 38.4913 173.2506 80 K 2.0000 7.1371 111.5716 57.0638 29.9231 176.0408 81 T 4.3618 6.5753 113.8172 61.4089 71.8246 173.7584 82 I 4.7752 8.4981 127.3722 61.4111 38.2821 175.6075 83 V 4.4235 9.2751 126.5816 61.2873 34.3355 173.6679 84 C 4.9144 9.0616 126.1439 56.6899 41.2430 174.0564 85 G 4.1641 8.0962 111.0555 46.3480 0.0000 172.3966 86 E 5.3211 8.5734 125.7961 55.6023 31.1875 176.6270 87 N 4.2924 9.1236 119.5642 56.4915 38.8630 174.7301 88 N 4.0376 8.2292 118.1552 53.8310 39.2201 172.8358 *90 P 4.3413 0.0000 0.0000 62.8099 33.7178 179.7018 91 C 4.2297 8.3100 117.0426 59.7385 40.1672 175.5887 92 L 3.7488 8.0853 120.1197 57.5979 41.2270 179.2205 93 K 3.8259 8.3953 120.0107 59.3357 32.1197 178.4884 94 E 3.7975 8.1467 119.4851 59.1934 29.6890 178.2267 95 L 3.8673 8.4537 121.3587 58.5886 42.0257 178.2345 96 C 3.4559 8.1571 118.3745 59.3706 43.8305 175.4091 97 E 3.7940 7.9651 120.3159 59.1769 29.0943 178.6519 98 C 4.3063 8.2736 116.7134 60.1894 40.1081 175.7504 99 D 4.3704 8.0539 120.2570 57.2441 40.4366 178.7241 100 K 3.7762 8.1294 119.8285 59.5897 32.1297 178.4999 101 A 3.9885 8.0189 121.0904 55.2158 18.2635 180.0084 102 V 3.4706 7.7290 117.0609 64.5141 31.5569 178.4367 103 A 3.7744 7.8664 121.4108 55.1067 18.1792 179.7338 104 I 3.6566 7.8075 118.2302 64.5665 36.9309 177.8520 105 C 4.2182 8.0936 118.4510 59.5504 40.3363 175.3493 106 L 3.9914 8.3449 120.8244 57.7187 41.3042 179.3272 107 R 3.8659 7.8272 118.5426 59.6579 29.8546 178.3107 108 E 4.2084 8.2777 116.2941 58.2033 29.7080 177.4258 109 N 5.0432 7.7159 115.9050 52.8315 39.6484 176.4289 110 L 4.1136 8.0265 122.1473 57.7850 41.9000 179.7769 111 G 3.7920 8.3155 106.9132 48.1584 0.0000 173.9788 112 T 4.5204 7.6379 106.6140 60.9800 69.4159 173.6439 113 Y 3.9755 7.9468 124.2379 58.3695 39.2407 174.6494 114 N 4.6135 8.7043 125.9378 51.2098 39.5521 174.5179 115 K 4.1438 8.6542 128.0781 58.9434 32.3572 178.2283 116 K 4.2075 7.8688 115.7675 58.0699 32.3633 176.8293 117 Y 4.6172 7.7616 116.6345 57.8054 38.7331 177.4244 118 R 3.8000 7.1550 120.1758 59.2095 30.0081 176.5897 119 Y 4.8205 7.4285 111.4914 58.0013 39.0124 174.4174 120 H 3.7791 7.9991 118.0760 55.7716 30.4365 174.2762 121 L 4.0451 8.0691 126.6998 54.1203 41.2721 177.3062 122 K 4.1279 8.6000 124.8072 58.2807 32.2786 177.1701 123 P 4.3536 0.0000 0.0000 64.6301 31.6003 177.5801 *125 F 5.3474 7.7486 115.9002 57.4026 40.7032 175.6082 126 C 4.7200 7.9215 118.1956 56.6140 38.6550 173.4760 127 K 4.2821 8.3461 120.4447 55.2705 34.4719 175.3842 *129 K 4.2840 8.3296 121.2583 56.3653 32.8553 175.0967 130 A 4.2846 8.6678 130.4905 51.5428 19.2761 176.8540 131 D 4.5992 8.5430 122.5036 53.5414 41.6231 174.7621 132 P 4.5323 0.0000 0.0000 62.4529 32.3109 177.1371 133 C 4.4608 8.6588 116.4533 57.5406 41.0666 173.7208 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 S 8.09 5.37 0.00 4.17 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 0.00 2 L 8.32 3.95 0.00 1.87 1.84 0.98 0.72 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 3 F 8.65 4.17 0.00 3.19 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 4 E 8.12 3.78 0.00 1.87 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 1.50 2.42 0.00 5 L 7.98 4.00 0.00 2.05 1.95 0.86 1.04 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 6 G 8.22 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 3.80 0.00 1.48 1.81 0.00 1.26 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.23 7.81 8 M 8.14 3.86 0.00 1.92 2.08 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 9 I 7.64 3.54 1.92 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.72 0.79 0.00 0.00 10 L 7.68 4.20 0.00 1.75 1.77 0.90 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.83 3.62 0.00 1.74 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.71 0.00 0.00 0.00 0.00 0.00 1.44 2.03 0.00 12 E 8.13 4.31 0.00 1.89 2.01 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 2.43 2.49 0.00 13 T 8.20 4.15 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 1.18 0.00 0.00 *15 G 7.64 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 16 K 7.49 4.44 0.00 1.84 1.55 0.00 1.31 0.00 0.00 1.08 0.00 0.00 2.67 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.23 1.25 7.81 17 N 8.38 4.59 0.00 2.70 2.69 0.00 0.00 6.65 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 18 P 0.00 4.44 0.00 2.31 2.34 0.00 3.76 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 2.09 2.15 0.00 19 A 8.21 3.97 1.40 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 0.00 0.00 20 K 8.11 4.16 0.00 1.77 1.98 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.49 7.81 21 S 8.15 4.49 0.00 3.35 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 22 Y 7.93 4.86 0.00 3.05 2.80 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 23 G 10.41 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.47 4.71 1.28 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 25 Y 8.07 4.41 0.00 3.05 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 26 G 7.76 3.46 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 0.00 27 C 9.39 4.71 0.00 2.99 3.14 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 28 N 8.61 4.70 0.00 3.06 2.90 0.00 0.00 6.99 7.23 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 29 C 8.36 4.52 0.00 3.49 3.18 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 30 G 8.49 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 *31 V 8.58 4.21 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 0.77 0.00 0.00 0.93 0.00 0.00 *32 L 8.03 4.53 0.00 1.65 1.56 0.92 0.84 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 33 G 8.05 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 34 R 8.02 4.70 0.00 1.85 2.11 0.00 2.92 0.00 0.00 3.03 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 35 G 8.57 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 36 G 8.29 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.49 0.00 1.80 1.93 0.00 3.38 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.91 0.00 38 K 8.78 4.02 0.00 1.14 1.04 0.00 1.31 0.00 0.00 1.03 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.02 0.57 7.81 39 D 7.42 4.63 0.00 2.96 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 40 A 8.90 3.99 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 41 T 8.06 3.81 4.42 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 0.98 0.00 0.00 42 D 9.19 4.49 0.00 3.03 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 43 R 8.18 3.99 0.00 2.04 2.16 0.00 3.16 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 44 C 8.17 4.29 0.00 3.19 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 45 C 7.98 4.10 0.00 3.19 3.24 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 46 Y 7.97 3.95 0.00 3.08 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.12 3.51 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 1.02 0.00 0.00 1.08 0.00 0.00 48 H 8.32 3.97 0.00 3.21 3.29 0.00 5.66 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 49 K 7.74 3.74 0.00 1.79 1.73 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.35 7.81 50 C 7.80 4.30 0.00 2.95 2.98 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 51 C 8.09 4.18 0.00 3.04 3.24 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 52 Y 7.95 4.23 0.00 3.14 2.87 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 53 K 7.64 4.18 0.00 1.90 1.83 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.68 7.81 *57 K 7.75 4.59 0.00 1.91 1.91 0.00 1.81 0.00 0.00 2.40 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.43 7.81 58 L 7.46 3.83 0.00 1.64 1.57 0.91 0.84 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 59 T 8.35 4.31 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 1.20 0.00 0.00 60 G 8.98 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 61 C 7.73 5.18 0.00 3.27 3.14 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 *67 D 8.23 4.76 0.00 2.73 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 68 P 0.00 4.07 0.00 1.77 0.69 0.00 3.48 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 1.54 1.57 0.00 69 K 8.27 4.09 0.00 1.88 1.90 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.60 7.81 70 K 8.10 4.38 0.00 1.70 1.81 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.48 7.81 71 D 8.13 4.36 0.00 2.99 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 72 R 8.38 4.39 0.00 1.79 1.81 0.00 3.13 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 73 Y 7.47 5.00 0.00 3.18 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 74 S 10.48 5.12 0.00 3.88 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 75 Y 8.59 5.46 0.00 3.26 3.07 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 76 S 9.66 4.70 0.00 3.78 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 77 W 8.81 5.14 0.00 3.30 2.93 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 78 K 8.62 4.34 0.00 1.82 1.57 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.32 7.81 79 D 9.26 3.99 0.00 2.67 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 80 K 7.14 2.00 0.00 1.57 1.54 0.00 1.79 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.16 1.22 7.81 81 T 6.58 4.36 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 1.16 0.00 0.00 82 I 8.50 4.78 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 1.65 0.91 0.93 0.00 0.00 83 V 9.28 4.42 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 84 C 9.06 4.91 0.00 2.99 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 85 G 8.10 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 86 E 8.57 5.32 0.00 2.14 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 2.07 2.14 0.00 87 N 9.12 4.29 0.00 2.74 2.95 0.00 0.00 6.89 8.00 0.00 0.00 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 N 8.23 4.04 0.00 2.74 2.77 0.00 0.00 7.11 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 *90 P 0.00 4.34 0.00 2.23 2.11 0.00 3.71 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 2.00 2.07 0.00 91 C 8.31 4.23 0.00 3.01 3.19 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 92 L 8.09 3.75 0.00 1.89 1.78 1.06 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.40 3.83 0.00 1.85 2.01 0.00 1.48 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.45 7.81 94 E 8.15 3.80 0.00 2.34 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 2.28 2.29 0.00 95 L 8.45 3.87 0.00 1.68 1.82 0.82 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 96 C 8.16 3.46 0.00 1.92 2.90 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 97 E 7.97 3.79 0.00 2.16 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 2.48 2.45 0.00 98 C 8.27 4.31 0.00 3.36 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 99 D 8.05 4.37 0.00 2.89 2.76 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 0.00 0.00 0.00 0.00 100 K 8.13 3.78 0.00 1.81 1.92 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.47 7.81 101 A 8.02 3.99 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 0.00 102 V 7.73 3.47 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 0.51 0.00 0.00 0.75 0.00 0.00 103 A 7.87 3.77 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 0.00 104 I 7.81 3.66 1.98 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 1.57 0.70 0.91 0.00 0.00 105 C 8.09 4.22 0.00 3.07 3.22 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 0.00 106 L 8.34 3.99 0.00 1.61 1.35 -0.08 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.83 3.87 0.00 1.89 2.08 0.00 3.13 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 108 E 8.28 4.21 0.00 2.10 2.01 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 2.35 2.63 0.00 109 N 7.72 5.04 0.00 2.77 2.82 0.00 0.00 6.83 6.79 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 0.00 110 L 8.03 4.11 0.00 1.77 1.74 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.32 3.79 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 0.00 0.00 0.00 112 T 7.64 4.52 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 1.25 0.00 0.00 113 Y 7.95 3.98 0.00 3.07 2.98 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 0.00 114 N 8.70 4.61 0.00 2.63 2.38 0.00 0.00 6.45 7.50 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 0.00 115 K 8.65 4.14 0.00 2.04 1.88 0.00 1.84 0.00 0.00 1.92 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.60 7.81 116 K 7.87 4.21 0.00 1.57 1.71 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.37 7.81 117 Y 7.76 4.62 0.00 2.12 1.87 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 0.00 118 R 7.15 3.80 0.00 1.81 2.04 0.00 3.30 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.36 0.00 119 Y 7.43 4.82 0.00 2.98 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 0.00 120 H 8.00 3.78 0.00 3.18 3.27 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.07 4.05 0.00 0.91 1.11 0.37 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.60 4.13 0.00 1.81 1.88 0.00 1.68 0.00 0.00 1.90 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.45 7.81 123 P 0.00 4.35 0.00 2.19 2.25 0.00 3.47 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 1.70 1.80 0.00 *125 F 7.75 5.35 0.00 3.17 3.07 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 0.00 126 C 7.92 4.72 0.00 3.06 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 0.00 127 K 8.35 4.28 0.00 1.69 1.77 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.41 7.81 *129 K 8.33 4.28 0.00 1.81 1.78 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.48 7.81 130 A 8.67 4.28 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 0.00 131 D 8.54 4.60 0.00 2.73 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 0.00 132 P 0.00 4.53 0.00 2.20 2.07 0.00 3.81 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 2.02 2.01 0.00 133 C 8.66 4.46 0.00 2.93 2.98 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 * Residues marked with a * may have inaccurate shift predictions.