NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3242 8.3149 120.1401 56.1402 33.5314 175.2707 7 L 4.4218 8.2758 122.1295 52.8432 42.7500 174.4892 8 H 5.0917 9.2054 116.7815 53.9647 32.6679 172.4535 9 K 4.6251 8.6063 119.3934 55.8705 33.4203 176.0090 10 E 4.9631 8.9520 122.7871 53.6680 33.5032 173.8461 11 P 4.9861 0.0000 0.0000 63.3278 32.3662 174.9085 12 A 4.9260 8.3931 121.3333 51.3640 23.0753 175.5676 13 T 4.6268 8.5737 115.2308 61.3234 72.0261 173.8290 14 L 4.2279 8.6953 128.4843 55.8302 42.3568 175.5848 15 I 4.3375 8.4366 126.7259 62.0057 38.6734 175.8838 16 K 4.4437 7.5485 119.3585 55.5454 35.3886 173.5579 17 A 4.6006 8.7379 129.8459 51.8077 19.7421 176.8230 18 I 4.1938 8.4282 123.1927 62.6980 38.5802 175.0778 19 D 4.6267 7.5239 116.8993 52.8899 44.0701 175.4319 20 G 3.7180 8.8107 109.1108 47.6303 0.0000 174.0146 21 D 4.8130 8.0456 116.7898 53.1908 40.4659 175.4707 22 T 5.2463 7.7593 117.2894 62.2678 72.8759 173.3316 23 V 4.7807 8.7794 118.2365 59.4996 36.5724 174.2034 24 K 4.9989 9.3947 126.3058 55.4090 33.6150 175.3724 25 L 5.3031 9.5210 126.7782 53.1927 46.6316 175.4199 26 M 4.9105 9.3175 121.6595 54.6884 33.5150 174.1402 27 Y 4.9515 9.0211 128.8698 55.7379 41.4823 175.8594 28 K 3.3896 9.2623 127.9161 57.5960 29.5704 176.1196 29 G 3.9095 8.2890 102.7265 45.7285 0.0000 172.8203 30 Q 4.6738 7.7948 121.1825 53.2316 32.0197 172.8872 31 P 4.9374 0.0000 0.0000 63.0477 32.2022 175.6610 32 M 4.9212 9.5844 123.2450 54.1203 37.1590 173.9564 33 T 4.8251 8.4062 118.1945 62.3639 70.8311 173.5186 34 F 5.0187 9.5356 125.5919 55.6249 41.5918 174.4283 35 R 5.0129 8.9360 124.0468 54.3153 32.0171 175.1146 36 L 4.5777 8.7694 127.7730 54.6413 42.3172 177.2887 37 L 3.9669 8.6710 124.8094 55.6675 42.8217 178.0551 38 L 3.7060 8.9248 119.9783 55.3633 39.6905 174.1358 39 V 5.0350 7.3557 110.1301 59.5486 35.1249 174.8589 40 D 5.0577 9.2934 123.8802 52.8643 43.3401 175.2155 41 T 4.7046 8.4189 113.9087 58.7058 71.4053 172.7225 42 P 4.3369 0.0000 0.0000 63.0736 32.0863 175.3838 43 E 4.6421 9.1258 120.1420 55.1381 31.8855 176.6181 44 T 4.5044 8.3113 107.9439 61.5825 70.6081 174.7393 45 K 4.6131 7.8175 121.2034 55.8751 33.1551 175.9287 46 H 4.6982 8.4137 119.2962 54.5752 30.6189 173.5591 47 P 4.2396 0.0000 0.0000 65.3235 31.3120 177.1809 48 K 4.4053 7.9777 114.6912 56.7518 33.3526 177.2039 49 K 4.4163 8.4212 116.1012 55.3807 35.5941 178.4998 50 G 3.7400 8.9992 108.9409 45.9060 0.0000 175.4949 51 V 4.5403 8.8118 123.9616 61.4647 32.7980 174.3162 52 E 4.5067 9.3658 128.4753 54.5499 32.0328 175.5736 53 K 4.1326 8.2484 122.7799 58.2119 32.4292 176.6282 54 Y 4.4539 8.2347 123.6938 59.4301 36.0689 171.1558 55 G 3.6899 8.2341 107.5958 47.4024 0.0000 174.1689 56 P 4.2978 0.0000 0.0000 64.9803 31.4017 178.6513 57 E 3.9877 8.1662 116.7293 59.5104 29.6025 179.0396 58 A 4.0485 8.3336 121.0646 55.1529 18.4080 179.6200 59 S 4.1294 8.3632 111.5052 61.5856 62.4303 176.3368 60 A 4.0442 8.3107 123.6440 54.8759 18.0496 179.3353 61 F 3.9668 8.5505 119.3735 61.8166 39.6061 177.4330 62 T 3.8807 8.1343 115.2555 66.4709 68.1926 176.3347 63 K 3.9504 8.0334 121.4174 59.4500 32.2057 178.5523 64 K 3.8125 8.2165 119.9935 59.6659 31.8891 178.2549 65 M 3.8087 7.6038 116.9818 58.8778 31.9909 178.3268 66 V 3.7804 7.9148 112.5080 64.2826 31.5345 178.5196 67 E 4.0257 8.3338 117.9550 58.8062 29.3955 178.0822 68 N 4.6246 7.8659 113.6196 52.3931 39.3885 175.3147 69 A 4.4435 6.9652 123.6701 51.9015 19.2661 178.0555 70 K 4.2191 8.9793 121.1650 58.3480 32.7711 178.1256 71 K 4.7035 8.6326 117.5241 54.5346 36.3976 175.6517 72 I 5.0042 8.4083 124.5380 59.6051 40.3308 174.3791 73 E 5.1437 9.1993 124.8504 54.6790 33.9598 174.9473 74 V 4.6452 8.7614 116.0091 59.4837 35.0867 174.6768 75 E 4.9145 9.0028 124.8386 54.3944 32.0796 174.9940 76 F 4.6509 8.7811 125.7265 57.5534 40.1224 176.0132 77 D 4.9359 8.5196 120.8954 53.6796 43.1484 176.0110 78 K 4.4634 8.8415 118.2868 57.2393 33.7726 177.4256 79 G 4.2734 8.0310 110.8444 44.8109 0.0000 173.4920 80 Q 4.0807 8.5962 120.8606 56.5951 29.3387 176.7789 81 R 4.4762 8.4060 118.1250 56.7149 30.9560 176.0985 82 T 5.0296 7.3749 107.1717 59.9002 71.9823 173.3593 83 D 4.7566 8.5404 123.6152 51.6727 41.5840 177.1035 84 K 3.8691 8.4081 117.1939 59.5800 32.4296 177.0408 85 Y 4.2298 8.1442 115.5515 57.7604 38.1423 176.1524 86 G 3.9116 8.2986 108.4741 45.3118 0.0000 173.7087 87 R 4.3474 8.3594 119.5896 54.9878 31.7038 176.4720 88 G 3.4237 8.3794 111.1746 46.1521 0.0000 172.4450 89 L 5.3185 8.8602 124.1421 53.1939 43.2041 175.5718 90 A 4.4080 8.3553 124.0104 51.1968 23.6849 173.8262 91 Y 4.8154 8.7604 117.2946 56.8834 39.8564 175.3477 92 I 4.7487 8.6287 125.2962 59.8068 39.8261 174.2199 93 Y 5.1366 9.2229 124.1117 56.0419 41.1855 174.5393 94 A 4.8915 9.2576 125.8995 50.1149 21.3604 176.1766 95 D 4.3367 9.8948 124.8334 56.0792 39.0113 175.6597 96 G 3.9930 8.4991 106.0630 45.2477 0.0000 173.7512 97 K 4.4837 7.9389 120.3892 54.9514 33.6022 175.4166 98 M 4.0621 8.5127 123.4422 54.8860 33.0578 176.9036 99 V 3.6144 8.6435 127.5042 66.1196 31.3643 177.5441 100 N 4.3246 8.0539 115.7305 56.4777 38.4451 176.8261 101 E 3.9163 8.0891 119.7547 59.0927 29.9898 178.1941 102 A 4.0885 8.1643 120.9242 55.3938 18.3503 179.6206 103 L 3.6005 8.0776 117.2134 57.8274 41.7237 179.9811 104 V 3.8256 7.4082 119.0287 65.5533 31.2804 178.0269 105 R 3.9337 8.2138 117.6808 59.2174 29.9709 177.5542 106 Q 4.2780 7.6747 114.7668 55.0730 29.0539 175.9808 107 G 3.9189 8.0612 108.7054 46.9158 0.0000 174.7371 108 L 4.7070 7.5734 116.5304 53.4568 42.6088 176.2194 109 A 4.5397 7.2497 118.3500 51.2385 22.3632 176.0142 110 K 4.9478 8.5343 119.3326 54.2514 35.8652 175.9208 111 V 4.2591 8.8358 123.3780 62.8511 31.8689 176.0413 112 A 4.6511 8.7581 130.6422 50.7676 19.7954 176.1001 113 Y 3.8926 8.4703 120.0381 57.4345 38.5958 175.3130 114 V 3.6400 7.6531 127.9402 62.5304 32.4805 174.8693 115 Y 4.4782 8.3042 124.8769 55.8513 38.1662 174.7834 116 E 4.4408 8.5741 126.1818 55.7564 30.2585 174.8694 117 P 4.6147 0.0000 0.0000 63.4231 32.3091 176.7331 118 N 4.9204 7.9648 119.3265 52.3326 37.0764 174.9323 119 N 5.1319 7.7034 111.7050 53.0905 39.3978 177.1469 120 T 3.8258 8.4640 117.5923 67.7040 68.6634 175.0786 121 H 4.8598 7.8860 116.4115 55.8805 29.1509 177.0852 122 E 3.9238 8.3556 122.1725 59.7843 29.4499 178.6660 123 Q 3.9779 8.0797 117.4677 59.1860 28.7125 178.2099 124 H 4.1491 8.2149 118.7109 59.4144 29.9066 177.2092 125 L 4.0100 8.0098 120.7301 57.7454 41.4844 179.6489 126 R 3.9324 8.3636 118.4471 58.9959 30.0198 179.3075 127 K 3.9464 8.0902 118.4198 59.6421 32.0991 179.6373 128 S 4.1087 7.8020 115.1202 61.4292 62.6899 176.4078 129 E 3.9735 8.4360 122.0962 59.0697 29.3149 178.6973 130 A 3.7705 7.9953 120.9681 54.8991 18.3084 179.4651 131 Q 3.7513 7.9215 117.5777 59.3401 29.2321 178.1874 132 A 3.9597 7.9588 121.7950 55.0623 18.2899 179.5807 133 K 3.1627 7.6359 118.0499 59.1472 31.8931 178.9561 134 K 3.7860 7.6685 118.9795 59.2911 32.1971 177.7801 135 E 4.1922 8.2345 116.0211 55.4250 30.4369 176.1600 136 K 4.0837 7.8752 117.9356 57.2928 30.3819 175.5297 137 L 4.3784 8.2115 118.3789 55.2476 44.4782 178.7589 138 N 3.6851 9.4671 118.3735 54.2528 38.3659 176.1402 139 I 2.9316 5.4200 124.8196 64.4439 37.9305 176.9252 140 W 4.8603 7.8765 117.9000 56.3454 29.0326 176.3026 141 S 4.3847 8.0677 117.2905 58.4285 63.4327 174.8292 *142 E 4.1354 8.6366 118.2568 56.2620 30.1640 173.8691 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 6 K 8.31 4.32 0.00 1.79 1.84 0.00 1.72 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 1.36 1.49 7.81 7 L 8.28 4.42 0.00 1.80 1.72 1.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 8 H 9.21 5.09 0.00 3.12 3.23 0.00 5.53 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 9 K 8.61 4.63 0.00 1.56 1.67 0.00 1.38 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 1.24 7.81 10 E 8.95 4.96 0.00 2.09 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 2.31 2.21 0.00 11 P 0.00 4.99 0.00 2.09 2.07 0.00 3.83 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 2.00 0.00 12 A 8.39 4.93 1.19 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 13 T 8.57 4.63 4.27 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 1.22 0.00 0.00 14 L 8.70 4.23 0.00 1.63 1.57 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.44 4.34 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.85 0.94 0.00 0.00 16 K 7.55 4.44 0.00 1.79 1.60 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.40 7.81 17 A 8.74 4.60 1.25 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 0.00 0.00 18 I 8.43 4.19 2.01 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 1.21 0.95 0.91 0.00 0.00 19 D 7.52 4.63 0.00 2.62 2.65 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 20 G 8.81 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 0.00 0.00 0.00 21 D 8.05 4.81 0.00 2.84 2.91 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 22 T 7.76 5.25 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 1.28 0.00 0.00 23 V 8.78 4.78 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 0.67 0.00 0.00 0.94 0.00 0.00 24 K 9.39 5.00 0.00 1.87 1.83 0.00 1.50 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.53 7.81 25 L 9.52 5.30 0.00 1.68 1.61 0.33 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.32 4.91 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 27 Y 9.02 4.95 0.00 3.28 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 28 K 9.26 3.39 0.00 1.49 1.61 0.00 1.73 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.92 0.21 7.81 29 G 8.29 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 30 Q 7.79 4.67 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 31 P 0.00 4.94 0.00 2.02 2.02 0.00 3.73 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 2.06 2.16 0.00 32 M 9.58 4.92 0.00 1.63 2.15 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.51 0.00 33 T 8.41 4.83 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 1.22 0.00 0.00 34 F 9.54 5.02 0.00 3.04 2.88 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 35 R 8.94 5.01 0.00 1.88 1.92 0.00 3.14 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 36 L 8.77 4.58 0.00 1.56 1.61 0.98 0.93 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 37 L 8.67 3.97 0.00 1.13 1.24 0.35 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.92 3.71 0.00 2.01 1.85 1.14 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.36 5.03 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 0.83 0.00 0.00 0.96 0.00 0.00 40 D 9.29 5.06 0.00 2.54 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 41 T 8.42 4.70 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 1.21 0.00 0.00 42 P 0.00 4.34 0.00 2.38 2.27 0.00 3.78 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 2.19 2.01 0.00 43 E 9.13 4.64 0.00 2.15 2.07 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 2.24 2.39 0.00 44 T 8.31 4.50 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 1.20 0.00 0.00 45 K 7.82 4.61 0.00 1.70 1.77 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.49 7.81 46 H 8.41 4.70 0.00 3.20 3.37 0.00 5.86 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.24 0.00 1.97 2.07 0.00 3.31 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.02 0.00 48 K 7.98 4.41 0.00 1.80 1.88 0.00 1.50 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.50 7.81 49 K 8.42 4.42 0.00 1.62 1.78 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.28 7.81 50 G 9.00 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 51 V 8.81 4.54 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 0.81 0.00 0.00 0.95 0.00 0.00 52 E 9.37 4.51 0.00 1.90 1.81 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 2.18 2.19 0.00 53 K 8.25 4.13 0.00 1.66 1.70 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.77 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.11 7.81 54 Y 8.23 4.45 0.00 3.18 3.10 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 55 G 8.23 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.30 0.00 2.16 2.11 0.00 3.57 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 57 E 8.17 3.99 0.00 2.41 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 2.58 2.52 0.00 58 A 8.33 4.05 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 59 S 8.36 4.13 0.00 4.03 4.05 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 60 A 8.31 4.04 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 61 F 8.55 3.97 0.00 3.27 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 62 T 8.13 3.88 4.30 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 1.24 0.00 0.00 63 K 8.03 3.95 0.00 1.99 1.98 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.46 7.81 64 K 8.22 3.81 0.00 1.95 1.75 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.51 7.81 65 M 7.60 3.81 0.00 2.00 1.74 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 66 V 7.91 3.78 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 0.81 0.00 0.00 1.02 0.00 0.00 67 E 8.33 4.03 0.00 1.97 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 2.33 2.47 0.00 68 N 7.87 4.62 0.00 2.73 2.81 0.00 0.00 7.00 7.51 0.00 0.00 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 A 6.97 4.44 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 70 K 8.98 4.22 0.00 1.90 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.55 7.81 71 K 8.63 4.70 0.00 1.65 1.64 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.39 7.81 72 I 8.41 5.00 1.99 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 1.32 1.27 0.84 0.00 0.00 73 E 9.20 5.14 0.00 1.89 1.76 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 2.20 2.25 0.00 74 V 8.76 4.65 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 -0.05 0.00 0.00 0.53 0.00 0.00 75 E 9.00 4.91 0.00 2.20 2.32 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 2.49 2.40 0.00 76 F 8.78 4.65 0.00 3.06 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 77 D 8.52 4.94 0.00 2.70 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 78 K 8.84 4.46 0.00 1.90 1.96 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.48 7.81 79 G 8.03 4.27 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 0.00 80 Q 8.60 4.08 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 81 R 8.41 4.48 0.00 1.61 1.45 0.00 2.78 0.00 0.00 2.62 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.43 0.00 82 T 7.37 5.03 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 1.13 0.00 0.00 83 D 8.54 4.76 0.00 2.94 2.88 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 84 K 8.41 3.87 0.00 1.60 1.81 0.00 1.30 0.00 0.00 1.55 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.20 0.54 7.81 85 Y 8.14 4.23 0.00 3.11 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 86 G 8.30 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 87 R 8.36 4.35 0.00 2.06 1.85 0.00 3.11 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 88 G 8.38 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 0.00 0.00 0.00 89 L 8.86 5.32 0.00 1.54 1.62 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.36 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.76 4.82 0.00 2.99 2.65 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 92 I 8.63 4.75 1.77 0.00 0.00 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 1.11 0.78 0.85 0.00 0.00 93 Y 9.22 5.14 0.00 2.84 2.81 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 94 A 9.26 4.89 1.18 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 95 D 9.89 4.34 0.00 2.79 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 96 G 8.50 3.99 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 0.00 0.00 0.00 97 K 7.94 4.48 0.00 1.98 1.77 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.52 7.81 98 M 8.51 4.06 0.00 1.91 1.59 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.38 0.00 99 V 8.64 3.61 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 1.02 0.00 0.00 0.93 0.00 0.00 100 N 8.05 4.32 0.00 2.90 2.94 0.00 0.00 6.77 7.66 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 0.00 101 E 8.09 3.92 0.00 1.99 2.07 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 2.30 2.27 0.00 102 A 8.16 4.09 1.65 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 0.00 103 L 8.08 3.60 0.00 1.87 1.66 1.02 0.62 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 0.00 104 V 7.41 3.83 2.22 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 1.24 0.00 0.00 0.98 0.00 0.00 105 R 8.21 3.93 0.00 2.02 2.09 0.00 3.33 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 106 Q 7.67 4.28 0.00 1.60 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.38 0.00 0.00 0.00 0.00 0.00 2.35 1.77 0.00 107 G 8.06 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 0.00 0.00 0.00 108 L 7.57 4.71 0.00 1.32 1.49 0.55 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.25 4.54 1.16 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 0.00 110 K 8.53 4.95 0.00 1.70 1.79 0.00 1.32 0.00 0.00 1.50 0.00 0.00 3.00 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.38 1.11 7.81 111 V 8.84 4.26 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 0.78 0.00 0.00 0.97 0.00 0.00 112 A 8.76 4.65 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 8.47 3.89 0.00 2.88 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 0.00 114 V 7.65 3.64 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 0.84 0.00 0.00 0.93 0.00 0.00 115 Y 8.30 4.48 0.00 3.08 2.91 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 0.00 116 E 8.57 4.44 0.00 1.93 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 0.00 2.32 2.46 0.00 117 P 0.00 4.61 0.00 2.26 2.17 0.00 3.86 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 2.01 2.01 0.00 118 N 7.96 4.92 0.00 2.98 2.88 0.00 0.00 6.66 7.79 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 0.00 119 N 7.70 5.13 0.00 2.85 2.96 0.00 0.00 6.08 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 0.00 120 T 8.46 3.83 4.27 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 1.05 0.00 0.00 121 H 7.89 4.86 0.00 2.88 3.13 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.36 3.92 0.00 2.16 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 0.00 2.30 2.35 0.00 123 Q 8.08 3.98 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 124 H 8.21 4.15 0.00 3.22 3.50 0.00 5.86 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 0.00 125 L 8.01 4.01 0.00 1.92 1.72 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.36 3.93 0.00 1.92 1.95 0.00 3.10 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 127 K 8.09 3.95 0.00 1.96 1.81 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.64 7.81 128 S 7.80 4.11 0.00 3.90 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 0.00 129 E 8.44 3.97 0.00 2.15 2.09 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 2.21 2.59 0.00 130 A 8.00 3.77 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 0.00 131 Q 7.92 3.75 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 132 A 7.96 3.96 1.55 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 0.00 133 K 7.64 3.16 0.00 0.79 1.39 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.45 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.98 0.79 7.81 134 K 7.67 3.79 0.00 1.88 1.92 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.42 7.81 135 E 8.23 4.19 0.00 1.96 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 2.49 0.00 136 K 7.88 4.08 0.00 1.91 1.99 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.47 7.81 137 L 8.21 4.38 0.00 1.79 1.69 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.47 3.69 0.00 2.60 1.64 0.00 0.00 7.13 7.21 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 0.00 139 I 5.42 2.93 1.18 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.12 -0.48 0.00 0.00 140 W 7.88 4.86 0.00 3.25 3.10 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 0.00 141 S 8.07 4.38 0.00 4.02 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 *142 E 8.64 4.14 0.00 1.76 1.81 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.