NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -9 S 4.4138 8.3231 116.7983 58.0975 64.2281 173.3643 -8 G 3.7468 8.4468 113.0751 44.0101 0.0000 171.7416 -7 L 3.8917 9.4388 122.3281 57.3474 42.9446 175.7194 -6 V 4.4201 7.0309 108.3056 58.3472 35.7464 173.3651 -5 P 4.3475 0.0000 0.0000 62.2623 31.8199 176.2792 -4 R 4.1335 8.4382 122.8082 57.6922 30.7391 176.9725 -3 G 4.0054 9.0943 112.3156 45.7014 0.0000 175.1014 -2 S 4.5322 8.2088 113.9583 60.1548 63.2580 175.2383 -1 H 4.4745 7.4119 118.0010 55.3750 27.5362 174.9498 -7 D 4.1917 9.6188 120.9281 56.4474 41.6446 174.4194 -6 R 4.6401 7.2309 109.6056 52.1472 33.7464 173.3651 -5 T 4.2775 8.2420 114.5043 60.7623 69.5199 173.6792 -4 H 4.5235 8.6282 120.5082 56.6922 28.8391 174.7725 -3 E 4.3954 9.1843 123.7156 57.2014 26.9348 176.8014 -2 R 4.4022 8.1288 118.7583 57.8548 30.3580 176.9383 -1 V 3.8645 7.0219 119.0010 62.5750 31.4362 177.1498 9 L 4.0776 7.8059 118.3314 58.2300 42.3147 178.2483 10 Q 4.1184 8.0167 118.7931 58.9010 28.9574 178.2608 11 A 3.9119 7.6934 118.6671 52.5727 18.3481 178.7729 *13 A 4.1363 7.9671 125.6319 53.7827 20.6453 179.8660 14 E 3.9314 8.1840 115.4668 59.3984 29.7805 177.8980 15 N 4.5225 8.2725 115.0056 55.0777 38.9498 175.9202 16 L 4.4729 7.9623 116.6556 53.5802 44.2976 177.6999 17 G 3.9838 7.8868 108.3633 46.4495 0.0000 176.3205 18 E 4.0174 8.9066 122.6548 58.1771 29.1449 177.6165 19 G 3.6212 8.1313 107.9256 45.5891 0.0000 173.4643 20 L 4.1385 7.7003 123.1350 54.3261 42.5633 175.0451 21 P 4.4078 0.0000 0.0000 62.5194 32.1079 177.7366 22 R 4.0062 8.6128 120.3941 58.9550 29.8372 179.2058 23 A 4.0330 7.9537 120.5140 54.7643 18.3453 179.5437 24 I 3.6020 7.7121 118.6497 64.2732 37.2339 176.8959 25 P 4.2639 0.0000 0.0000 65.4586 31.0886 178.7066 26 L 4.0184 7.5517 117.4030 57.6011 41.4325 179.5362 27 L 3.9372 8.2240 119.0207 57.6761 41.3563 179.1744 28 A 3.7034 7.8044 119.5859 55.2023 18.3276 179.0308 29 E 4.0192 8.0110 116.5674 58.5962 29.8968 178.1204 30 K 4.5109 8.3234 115.9135 56.0363 35.5125 176.7303 31 A 4.7202 8.4431 122.3938 48.8401 19.6044 174.6627 32 P 4.3069 0.0000 0.0000 65.4245 31.6358 178.9473 33 G 3.6201 8.0805 104.8217 47.6002 0.0000 175.2581 34 L 4.0404 7.9119 122.3157 57.7012 42.1140 178.7828 35 L 4.0068 7.7877 120.0171 58.0610 42.0147 178.8039 36 L 4.0626 8.2480 119.2581 57.7960 41.5881 179.1160 37 E 3.9658 8.4293 119.3520 59.2920 29.5388 178.2632 38 H 4.3410 8.7628 119.0763 59.2924 29.9432 177.5549 39 G 3.6064 8.2030 107.5317 47.6574 0.0000 175.6750 40 R 3.9290 8.3525 121.8190 59.2697 30.1209 178.8388 41 S 4.2265 8.7340 114.4691 61.0169 62.7593 176.2187 42 W 3.8921 8.1848 131.4565 60.5449 30.6250 177.9607 43 T 4.2214 8.1583 107.9716 64.4419 68.2934 175.7944 44 Y 4.1331 7.8598 122.0600 60.5169 38.9635 177.4341 45 A 3.8770 7.6111 116.5513 51.8730 18.2908 175.0219 *47 P 4.2044 0.0000 0.0000 62.5889 32.4562 175.9822 48 E 3.9000 8.6141 119.8287 57.6310 30.5287 176.8274 49 K 3.8285 8.5283 123.4121 57.5320 29.8059 174.3338 50 G 4.1465 7.4072 109.7807 44.8986 0.0000 172.4033 51 A 4.1707 8.5736 122.0029 53.7165 19.0809 177.8999 52 L 4.7986 7.4900 114.1656 52.4707 44.8392 176.5977 53 D 4.6753 8.3024 121.8244 52.9498 41.7102 177.3506 54 E 4.0063 8.6608 119.2049 59.1815 29.3590 179.5850 55 K 3.9222 7.9894 119.3262 59.8991 32.3971 178.7461 56 T 3.8744 8.7875 116.2211 66.7280 68.3998 176.7302 57 R 3.8975 8.1369 119.8995 59.7333 30.0535 179.3267 58 T 3.9961 8.2269 115.5964 66.6441 68.3622 176.9128 59 L 4.0336 8.1494 120.9816 57.5836 41.6049 179.6249 60 I 3.6995 7.9459 119.9883 64.4298 37.0445 178.4864 61 L 3.9939 7.9937 119.8205 57.5657 41.3835 179.4130 62 L 4.0782 8.2980 120.7259 57.9796 42.0410 179.2001 63 G 3.6297 8.4309 106.1000 47.8941 0.0000 175.6904 64 I 3.6965 7.9168 122.2294 63.9234 37.1419 178.2574 65 A 4.0020 8.1411 121.6027 55.2723 18.0827 179.7372 66 L 3.9279 8.0971 117.1152 58.0078 41.5248 179.7203 67 A 4.0529 8.0858 119.6827 54.5147 18.3935 178.7279 68 T 4.3745 8.0282 105.9260 60.7478 69.5077 175.0601 69 G 3.7499 7.5404 109.6588 47.1230 0.0000 174.9307 70 S 4.4049 7.9564 115.7569 56.7256 62.3464 173.3982 71 E 3.9478 8.6837 129.6627 59.4876 29.4110 179.1096 72 A 4.0470 7.9728 120.1414 55.3770 18.2517 179.3399 73 C 4.2058 7.6563 113.7778 62.6259 28.2976 176.1134 74 V 3.7560 7.7767 119.2377 65.8993 31.4488 177.7111 75 K 4.1837 8.1340 119.0776 59.3623 31.9463 179.1751 76 A 4.2194 8.1664 118.4363 52.4045 17.9803 178.7919 *78 A 4.2246 7.9223 125.1051 54.0345 20.6635 179.9088 79 H 4.1535 8.2994 113.0296 58.6539 28.5950 178.0121 80 R 3.8579 8.3531 120.6058 59.4277 29.9453 178.2808 81 A 3.9934 8.0518 120.0006 55.0924 18.3238 179.3057 82 K 3.8488 8.1713 117.9342 59.9122 32.1264 179.3581 83 R 3.9573 8.0495 116.9424 58.8931 30.0300 178.3767 84 L 4.3125 7.9694 117.1383 54.8597 41.8396 177.4226 85 G 3.8688 7.9940 106.9703 46.0600 0.0000 173.9207 86 L 4.1598 7.8503 119.4897 53.9156 42.3997 178.2427 87 S 4.3289 8.4101 117.4795 58.0011 65.0672 175.2923 88 K 3.8894 8.6149 124.3464 59.9544 31.9772 178.9825 89 E 3.9369 8.1634 118.0552 59.3415 29.4279 179.0609 90 A 4.0270 8.1281 120.8375 55.1193 18.4647 179.7515 91 L 3.9882 8.0136 117.5975 57.9053 41.6335 179.7421 92 L 4.0568 8.2233 119.2172 57.6062 41.4803 179.1233 93 E 3.9464 8.3672 119.4584 59.3586 29.4510 179.0352 94 T 3.8641 7.8791 116.1123 66.3345 68.5200 176.3869 95 L 3.9349 7.9909 122.2565 58.1965 42.1185 179.1649 96 K 3.9960 8.2610 118.5117 59.5329 31.9151 179.4551 97 I 3.7036 8.0458 119.9879 64.2553 37.1317 178.3168 98 A 4.0168 8.2373 121.8586 55.0666 18.2928 179.6808 99 R 3.8186 8.0872 117.2202 59.6587 30.2201 178.5623 100 Q 3.9655 8.3226 119.2400 58.9505 29.0123 177.9633 101 A 3.9722 8.4258 122.2931 55.4357 18.2389 179.6640 102 Q 3.9574 7.8120 114.7084 58.9519 28.7954 178.6814 103 A 4.1350 7.9359 121.3875 55.1472 18.3848 179.1929 104 N 4.2413 8.7327 115.1822 56.6661 38.7397 177.3893 105 A 3.9465 8.1497 121.8871 55.0588 18.1956 179.8213 106 V 3.5918 7.3343 115.7562 66.2386 31.8872 177.9799 107 L 4.2367 7.9686 118.3645 57.7640 41.3212 179.5096 108 G 3.6372 8.0844 104.7844 47.5578 0.0000 174.3596 109 H 4.7222 7.7393 115.1475 55.9142 29.3956 176.1319 110 A 4.3284 8.0430 122.9135 52.3305 18.6675 178.9336 111 A 3.9383 7.9957 120.1625 55.0344 18.1542 177.9245 112 P 4.1666 0.0000 0.0000 65.4942 31.7614 178.4728 113 L 4.0915 7.7797 118.6094 58.2874 42.4167 178.8027 114 L 4.0269 8.0783 118.9306 57.6504 41.2282 179.0315 115 E 3.9504 8.2153 118.9567 59.1465 29.6565 178.5601 116 V 4.0395 7.4146 108.7793 61.6879 32.0846 176.1720 117 L 4.1824 7.5248 123.7684 54.9717 41.4989 176.6561 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 -9 S 8.32 4.41 0.00 3.88 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 -8 G 8.45 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 -7 L 9.44 3.89 0.00 1.15 0.62 0.65 -0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 -6 V 7.03 4.42 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 0.59 0.00 0.00 0.88 0.00 0.00 -5 P 0.00 4.35 0.00 2.17 1.96 0.00 3.58 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 -4 R 8.44 4.13 0.00 1.79 1.86 0.00 3.33 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 -3 G 9.09 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 0.00 0.00 0.00 -2 S 8.21 4.53 0.00 4.01 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 -1 H 7.41 4.47 0.00 3.54 3.47 0.00 5.59 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -7 D 9.62 4.19 0.00 2.25 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 -6 R 7.23 4.64 0.00 1.85 1.46 0.00 2.65 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.19 0.00 -5 T 8.24 4.28 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 1.21 0.00 0.00 -4 H 8.63 4.52 0.00 3.22 3.26 0.00 8.71 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 E 9.18 4.40 0.00 2.06 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 2.23 2.19 0.00 -2 R 8.13 4.40 0.00 1.98 1.91 0.00 2.21 0.00 0.00 3.13 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 -1 V 7.02 3.86 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 0.79 0.00 0.00 0.93 0.00 0.00 9 L 7.81 4.08 0.00 1.72 1.86 0.92 0.73 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 10 Q 8.02 4.12 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 11 A 7.69 3.91 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 *13 A 7.97 4.14 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 14 E 8.18 3.93 0.00 1.95 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 2.30 2.30 0.00 15 N 8.27 4.52 0.00 2.72 2.80 0.00 0.00 7.00 8.71 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 16 L 7.96 4.47 0.00 1.64 1.71 0.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.89 3.98 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 0.00 0.00 0.00 18 E 8.91 4.02 0.00 1.91 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 2.31 2.26 0.00 19 G 8.13 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.70 4.14 0.00 1.64 1.61 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.41 0.00 2.20 1.95 0.00 3.64 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 22 R 8.61 4.01 0.00 1.84 1.98 0.00 3.12 0.00 0.00 3.34 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 23 A 7.95 4.03 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 7.71 3.60 1.85 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 1.63 0.84 0.89 0.00 0.00 25 P 0.00 4.26 0.00 2.14 2.09 0.00 3.74 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 2.09 2.16 0.00 26 L 7.55 4.02 0.00 2.00 1.70 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.22 3.94 0.00 1.81 1.69 0.89 1.02 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 28 A 7.80 3.70 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 29 E 8.01 4.02 0.00 2.08 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 2.31 2.34 0.00 30 K 8.32 4.51 0.00 1.79 1.80 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.40 7.81 31 A 8.44 4.72 1.20 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 0.00 0.00 32 P 0.00 4.31 0.00 2.30 2.23 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 33 G 8.08 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.91 4.04 0.00 1.82 1.86 0.95 0.34 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 35 L 7.79 4.01 0.00 1.79 1.83 0.95 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 36 L 8.25 4.06 0.00 1.93 1.75 0.96 0.96 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 37 E 8.43 3.97 0.00 2.12 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 0.00 2.32 2.39 0.00 38 H 8.76 4.34 0.00 3.39 3.58 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.20 3.61 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 0.00 0.00 0.00 40 R 8.35 3.93 0.00 1.82 2.07 0.00 2.97 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.34 0.00 41 S 8.73 4.23 0.00 4.07 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 0.00 42 W 8.18 3.89 0.00 3.51 3.27 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 43 T 8.16 4.22 4.34 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 1.38 0.00 0.00 44 Y 7.86 4.13 0.00 3.02 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 45 A 7.61 3.88 1.21 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 0.00 0.00 *47 P 0.00 4.20 0.00 2.18 2.04 0.00 3.67 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.83 0.00 48 E 8.61 3.90 0.00 1.97 1.91 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 2.31 2.36 0.00 49 K 8.53 3.83 0.00 1.91 1.81 0.00 1.80 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 1.36 1.36 7.81 50 G 7.41 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 0.00 0.00 0.00 51 A 8.57 4.17 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 52 L 7.49 4.80 0.00 1.57 1.53 0.88 1.02 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 53 D 8.30 4.68 0.00 2.95 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 54 E 8.66 4.01 0.00 2.03 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 0.00 2.44 2.51 0.00 55 K 7.99 3.92 0.00 1.83 1.95 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.54 7.81 56 T 8.79 3.87 4.39 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 1.20 0.00 0.00 57 R 8.14 3.90 0.00 2.03 1.97 0.00 3.23 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 58 T 8.23 4.00 4.41 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 1.27 0.00 0.00 59 L 8.15 4.03 0.00 1.70 1.72 0.93 0.65 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 60 I 7.95 3.70 1.97 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 1.50 0.90 0.87 0.00 0.00 61 L 7.99 3.99 0.00 1.88 1.75 0.79 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.30 4.08 0.00 1.86 1.89 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.43 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.92 3.70 2.00 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 1.44 0.64 0.91 0.00 0.00 65 A 8.14 4.00 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 66 L 8.10 3.93 0.00 1.86 1.73 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.09 4.05 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 68 T 8.03 4.37 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 1.25 0.00 0.00 69 G 7.54 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 70 S 7.96 4.40 0.00 3.93 3.81 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 71 E 8.68 3.95 0.00 2.06 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 2.41 2.39 0.00 72 A 7.97 4.05 1.33 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 0.00 0.00 73 C 7.66 4.21 0.00 3.15 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 74 V 7.78 3.76 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 0.81 0.00 0.00 0.99 0.00 0.00 75 K 8.13 4.18 0.00 1.91 1.81 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.51 7.81 76 A 8.17 4.22 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 *78 A 7.92 4.22 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 79 H 8.30 4.15 0.00 3.40 3.48 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.35 3.86 0.00 2.01 2.04 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 81 A 8.05 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 82 K 8.17 3.85 0.00 1.88 1.95 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.47 7.81 83 R 8.05 3.96 0.00 1.94 1.99 0.00 3.45 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.96 0.00 84 L 7.97 4.31 0.00 1.78 1.73 0.96 0.84 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 85 G 7.99 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 86 L 7.85 4.16 0.00 1.79 1.62 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.41 4.33 0.00 4.18 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 88 K 8.61 3.89 0.00 1.84 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.54 7.81 89 E 8.16 3.94 0.00 2.09 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 2.40 2.44 0.00 90 A 8.13 4.03 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 91 L 8.01 3.99 0.00 1.86 1.73 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.22 4.06 0.00 1.81 1.71 0.92 0.85 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 93 E 8.37 3.95 0.00 2.13 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 2.30 2.35 0.00 94 T 7.88 3.86 4.41 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 1.26 0.00 0.00 95 L 7.99 3.93 0.00 1.77 1.84 0.93 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.26 4.00 0.00 1.99 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.72 7.81 97 I 8.05 3.70 2.01 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 1.45 0.83 0.91 0.00 0.00 98 A 8.24 4.02 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 99 R 8.09 3.82 0.00 1.91 2.18 0.00 3.10 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 1.63 1.64 0.00 100 Q 8.32 3.97 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 101 A 8.43 3.97 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 Q 7.81 3.96 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 103 A 7.94 4.14 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 0.00 104 N 8.73 4.24 0.00 2.94 2.89 0.00 0.00 6.94 7.06 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 0.00 105 A 8.15 3.95 1.38 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 0.00 0.00 0.00 106 V 7.33 3.59 2.24 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 0.88 0.00 0.00 1.01 0.00 0.00 107 L 7.97 4.24 0.00 1.87 1.70 0.92 0.89 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 0.00 108 G 8.08 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.74 4.72 0.00 3.29 3.33 0.00 5.85 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 0.00 110 A 8.04 4.33 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.00 3.94 1.33 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 0.00 0.00 112 P 0.00 4.17 0.00 2.04 2.14 0.00 3.79 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 113 L 7.78 4.09 0.00 1.76 1.82 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.08 4.03 0.00 1.73 1.71 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.22 3.95 0.00 2.20 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 2.33 2.41 0.00 116 V 7.41 4.04 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 0.81 0.00 0.00 1.01 0.00 0.00 117 L 7.52 4.18 0.00 1.81 1.58 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.