NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 Q 4.2722 8.4445 121.7127 55.8080 29.7909 175.6934 23 Q 3.9764 8.8409 124.9715 57.5690 28.8986 173.4301 24 K 4.2530 9.1242 119.9930 58.0776 32.9840 183.4862 25 N 4.8536 8.6962 118.6813 53.3604 37.7992 177.6466 *27 E 4.2718 8.4125 118.6040 56.6151 31.8471 179.8952 28 N 4.6166 8.2817 113.2901 51.5724 38.2424 176.7053 29 K 3.8461 7.7942 117.6848 58.9053 30.7475 173.8421 30 T 5.1773 7.9117 106.8396 58.6641 71.6978 173.8360 31 L 4.2512 8.3688 124.6486 55.4266 42.6374 177.5849 32 N 4.7804 8.4862 118.5612 52.1728 37.5510 175.0152 33 E 4.4911 7.7385 117.3766 55.0457 31.8799 175.8461 34 N 4.5074 8.3898 118.9872 52.9211 38.4303 174.8453 35 I 3.6030 8.3213 127.3554 63.9410 37.7332 176.1897 36 P 4.2163 0.0000 0.0000 65.7444 31.3943 179.4983 37 E 4.1511 8.3241 114.9529 57.0199 28.9678 179.0149 *39 I 3.5146 7.9120 121.6123 61.3245 39.1574 178.1196 40 I 3.5829 7.6933 121.2050 64.3211 36.7740 178.6434 41 S 4.0758 8.0869 115.0734 61.3692 62.8060 176.4714 42 L 3.9475 7.7289 122.1704 57.3945 41.3413 178.9837 43 E 4.1241 8.1797 119.0648 59.4311 29.6778 178.8918 44 K 4.0158 8.2713 118.8182 59.4833 31.8699 178.8933 45 E 3.9214 8.2162 118.4358 59.2818 29.7558 178.4905 46 A 3.8264 7.9089 120.7512 54.9160 18.0437 179.5222 47 L 4.0517 7.9344 116.4881 57.5602 41.7950 178.7581 48 A 4.6958 7.8404 117.2262 51.2057 19.5538 177.3489 49 S 4.2323 7.0602 113.5121 58.3875 62.9678 174.6293 50 T 3.9981 8.3769 116.0444 63.5875 69.0663 173.9250 51 D 4.6053 8.0681 123.2115 52.4674 41.3830 176.0041 52 P 4.5143 0.0000 0.0000 62.4938 30.7662 177.2220 *54 A 4.3302 8.0842 122.8535 53.4063 20.4767 179.7662 55 F 4.2914 7.9692 112.3393 60.3014 39.2192 177.7559 56 V 3.5302 7.3155 117.8487 65.9056 31.2038 177.7640 57 E 3.9790 8.0063 116.7882 58.9630 29.6186 178.1628 58 L 4.2651 7.8580 118.7366 55.2535 42.3786 176.2452 59 S 5.0597 7.0482 114.0612 57.7274 64.7939 173.2300 60 D 4.7615 8.6874 123.3835 52.7791 42.6289 177.5088 61 T 3.8881 8.4191 111.6932 64.2066 68.6127 175.0375 62 D 4.6641 7.8497 119.6429 52.7269 39.9955 176.5019 63 V 3.9610 7.5805 119.8832 62.6201 32.6079 174.8445 64 I 4.9375 8.4463 123.6193 59.7898 40.3356 173.9966 65 Y 5.1436 8.6795 126.3292 56.0239 42.5327 173.7187 66 F 5.2440 8.7053 124.5686 55.9038 43.0363 173.7058 67 D 5.5843 8.1713 119.5624 52.1298 42.7389 174.0360 68 P 4.4481 0.0000 0.0000 63.9862 31.2010 177.4037 69 S 4.6419 8.8119 112.7789 58.0820 63.8074 173.9762 70 L 4.5785 7.3706 121.8472 53.3383 42.7531 176.5107 71 E 4.1335 8.7063 123.5572 58.7663 30.0477 176.3340 72 T 4.7295 7.3822 110.6488 59.6059 70.5622 172.9266 73 K 4.0297 8.2889 125.0422 56.8851 33.4947 176.4876 74 I 4.1305 8.3524 123.5508 61.3231 38.4881 174.8590 75 E 4.8170 9.6251 125.9920 56.0000 32.4850 176.7003 76 G 3.9895 9.4094 111.3651 45.6964 0.0000 174.0115 77 L 3.9622 8.4542 122.5841 57.9404 42.0330 179.5902 78 E 3.9966 8.0920 118.2631 59.3535 29.4779 179.1236 79 Q 4.0026 7.9785 117.7079 58.7077 28.7741 178.2380 80 L 3.9328 7.9433 121.3557 58.1187 42.1281 178.8645 81 R 3.8870 8.2966 118.9162 59.9354 29.7993 178.4147 82 T 3.8939 7.7436 113.8950 66.8264 68.7300 175.6249 83 Y 4.3104 8.1637 121.1921 61.1530 38.6933 177.8298 84 Y 3.6744 8.2517 116.2308 60.5845 37.9749 178.2715 85 K 4.2014 8.2523 118.9851 58.1992 33.0528 177.6843 86 G 3.6870 7.5387 110.0145 44.3826 0.0000 174.4433 *88 Q 4.0191 7.6712 117.6416 55.7455 30.1034 173.8164 89 L 4.8511 8.1013 123.9552 52.1086 45.9003 174.4848 90 P 4.5730 0.0000 0.0000 62.0808 32.0201 174.8007 91 P 4.4642 0.0000 0.0000 64.4036 31.9862 176.2784 92 A 4.8172 7.6517 120.7641 50.5048 22.0643 175.7244 93 D 4.5690 9.0664 122.5583 56.6460 41.4563 176.2116 94 H 5.1008 8.0020 117.9889 54.3999 32.9088 172.7485 95 F 5.5498 7.5972 117.0518 56.6944 40.4577 173.2213 96 D 5.3001 9.1354 120.9492 53.0071 45.0462 174.1813 *98 I 4.0411 8.1857 119.5920 62.3511 38.6602 176.5484 99 R 3.7593 8.6949 128.1698 56.4193 27.5830 175.0066 100 P 4.7821 0.0000 0.0000 63.1660 32.5331 177.3122 101 V 4.4825 9.0002 122.7044 61.0061 34.8532 174.1329 102 V 4.8291 8.4030 126.5802 61.2971 33.9511 174.2814 103 Q 4.5425 9.1401 128.0310 54.5346 30.4238 174.7069 104 V 4.7928 8.4382 124.0141 61.1814 33.7415 175.4484 105 A 4.5495 9.0818 130.5725 51.2164 21.3413 178.3249 106 Q 3.5039 8.7055 124.6590 58.0397 27.8893 174.6530 107 N 4.7568 9.1713 124.0176 53.3831 37.9686 173.9481 108 I 5.3922 8.1575 119.5637 59.9358 41.0646 174.2655 109 A 5.1386 9.5973 127.6201 50.2168 22.0451 174.9714 110 V 4.5954 9.1658 123.8671 61.5011 33.3099 174.2606 111 L 5.2544 9.1063 131.9530 53.7426 43.7853 175.1258 112 T 5.2236 8.8242 117.0015 60.1182 72.0997 172.8681 113 F 5.1358 8.3194 117.4163 56.6874 41.6699 172.1996 114 N 5.5642 8.8886 116.6944 51.6870 41.2295 174.6297 115 L 5.1752 9.1753 122.8243 53.9340 45.9109 174.7051 116 D 5.2084 9.5285 127.3276 53.3934 42.3899 175.4476 117 S 5.0636 9.4759 120.3910 57.0272 64.2235 172.7952 118 Y 4.6951 9.2458 127.0895 56.8353 37.3158 175.8551 119 L 4.2872 9.6115 129.3217 54.3354 41.9554 181.3912 120 S 3.5446 8.9463 122.7553 59.2691 61.9147 169.9638 121 D 4.8784 8.9777 121.6338 53.8593 41.6392 179.3829 122 K 4.8054 9.4495 119.9623 53.4321 35.0632 180.2774 123 V 4.7089 8.0309 118.0485 61.6742 34.2470 174.5632 124 I 4.2559 8.9927 128.9276 59.4674 39.5894 174.5460 125 K 4.9491 8.2527 126.2521 54.8470 33.9099 175.5522 126 W 5.5410 9.5261 124.7563 55.0834 33.1915 174.1506 127 N 5.1900 9.5758 120.1146 52.1086 40.8341 173.7708 128 C 4.4187 8.3457 121.8496 57.9121 35.4039 172.5376 129 T 4.8869 8.2919 122.3810 61.6916 71.1252 172.7417 130 E 4.9787 9.2635 126.2341 54.3932 33.0576 175.0636 131 V 4.8509 8.8414 124.2663 61.4980 33.9566 173.7580 132 Y 5.3208 9.4129 126.1521 56.4062 40.7201 174.6864 133 R 5.1626 9.3537 123.3998 54.4932 33.4241 174.1816 134 R 3.8300 8.3756 127.9821 55.2592 30.4283 176.0461 135 N 4.6312 9.0051 124.6759 51.1314 38.6264 174.2818 136 P 4.0614 0.0000 0.0000 66.3968 31.3776 177.9422 137 D 4.5916 8.0866 114.2373 53.0199 39.6651 179.5994 138 N 4.1965 8.2107 115.6271 55.1712 36.7955 173.1382 139 Q 4.7857 8.3911 117.9765 54.3798 30.9119 174.7833 140 W 5.1007 8.9692 123.6659 55.7498 30.3435 175.8459 141 K 5.0094 9.2480 124.5015 54.3798 35.7370 175.6090 142 I 4.1714 8.6998 125.3566 61.3038 37.7654 176.4999 143 I 4.5051 8.9763 120.1536 61.0639 39.8659 175.0616 144 Q 5.1293 7.6295 123.4596 55.3428 32.6599 172.9403 145 T 4.9913 9.1101 122.1703 62.0783 73.0450 172.4317 146 H 4.9956 8.9676 125.4617 54.4099 33.0766 171.6178 147 W 5.2627 8.7845 126.8644 55.1001 31.2618 175.8273 148 S 5.0338 9.2970 118.0863 56.7143 66.5188 172.9177 149 Y 4.6606 8.1668 118.2104 57.7614 38.7264 175.5767 150 V 3.6492 8.6467 123.8774 62.9225 31.9881 176.6258 151 K 3.8317 8.6089 128.7039 56.9421 29.4712 174.2141 152 P 4.1384 0.0000 0.0000 65.0905 32.2885 177.6561 153 L 4.4232 7.6347 121.5175 54.6071 41.7061 176.5963 *154 D 4.4168 7.5945 122.0492 53.5255 40.4415 177.3994 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 22 Q 8.44 4.27 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.06 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 23 Q 8.84 3.98 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.92 0.00 0.00 0.00 0.00 0.00 2.28 1.99 0.00 24 K 9.12 4.25 0.00 1.67 1.84 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.03 7.81 25 N 8.70 4.85 0.00 2.92 3.10 0.00 0.00 6.63 8.52 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 *27 E 8.41 4.27 0.00 2.01 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 2.13 1.88 0.00 28 N 8.28 4.62 0.00 2.75 2.74 0.00 0.00 7.16 6.74 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 29 K 7.79 3.85 0.00 1.81 1.82 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.40 7.81 30 T 7.91 5.18 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 1.29 0.00 0.00 31 L 8.37 4.25 0.00 1.75 1.69 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.49 4.78 0.00 2.74 2.67 0.00 0.00 6.68 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 33 E 7.74 4.49 0.00 2.05 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 2.27 2.26 0.00 34 N 8.39 4.51 0.00 2.68 2.76 0.00 0.00 7.05 7.94 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 35 I 8.32 3.60 1.75 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.63 0.32 0.00 0.00 36 P 0.00 4.22 0.00 2.09 2.02 0.00 3.72 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 2.05 2.02 0.00 37 E 8.32 4.15 0.00 2.26 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 2.33 2.16 0.00 *39 I 7.91 3.51 1.61 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.28 0.31 0.00 0.00 40 I 7.69 3.58 1.89 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 1.46 0.67 0.83 0.00 0.00 41 S 8.09 4.08 0.00 4.02 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 0.00 42 L 7.73 3.95 0.00 1.77 1.86 0.94 0.88 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 43 E 8.18 4.12 0.00 2.24 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 0.00 2.18 2.54 0.00 44 K 8.27 4.02 0.00 2.00 1.99 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.59 7.81 45 E 8.22 3.92 0.00 2.02 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 0.00 2.29 2.32 0.00 46 A 7.91 3.83 0.37 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 47 L 7.93 4.05 0.00 1.62 1.13 0.80 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.84 4.70 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.06 4.23 0.00 3.92 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 50 T 8.38 4.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 51 D 8.07 4.61 0.00 2.65 2.61 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 52 P 0.00 4.51 0.00 2.27 2.32 0.00 3.87 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 *54 A 8.08 4.33 1.24 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 0.00 0.00 55 F 7.97 4.29 0.00 2.92 2.95 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 0.00 0.00 0.00 56 V 7.32 3.53 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 0.99 0.00 0.00 0.42 0.00 0.00 57 E 8.01 3.98 0.00 2.36 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 2.31 1.94 0.00 58 L 7.86 4.27 0.00 1.91 1.86 1.16 1.06 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 59 S 7.05 5.06 0.00 4.02 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 60 D 8.69 4.76 0.00 2.62 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 61 T 8.42 3.89 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 62 D 7.85 4.66 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.58 3.96 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 0.81 0.00 0.00 1.00 0.00 0.00 64 I 8.45 4.94 1.81 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 1.08 1.01 0.67 0.00 0.00 65 Y 8.68 5.14 0.00 2.93 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.71 5.24 0.00 2.46 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 67 D 8.17 5.58 0.00 2.85 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 68 P 0.00 4.45 0.00 1.65 1.76 0.00 3.73 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.69 0.00 69 S 8.81 4.64 0.00 4.03 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 70 L 7.37 4.58 0.00 1.63 1.76 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.71 4.13 0.00 1.92 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 2.36 0.00 72 T 7.38 4.73 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 1.18 0.00 0.00 73 K 8.29 4.03 0.00 0.93 0.85 0.00 1.06 0.00 0.00 1.54 0.00 0.00 2.59 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.22 1.19 7.81 74 I 8.35 4.13 1.99 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.48 0.84 0.00 0.00 75 E 9.63 4.82 0.00 1.70 1.77 0.00 0.00 0.00 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 2.12 0.00 76 G 9.41 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 77 L 8.45 3.96 0.00 1.93 1.66 0.96 0.86 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 78 E 8.09 4.00 0.00 2.01 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 2.39 2.34 0.00 79 Q 7.98 4.00 0.00 2.33 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 80 L 7.94 3.93 0.00 1.73 1.77 0.68 0.55 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 81 R 8.30 3.89 0.00 1.95 2.08 0.00 3.16 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 1.65 1.68 0.00 82 T 7.74 3.89 4.44 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 1.25 0.00 0.00 83 Y 8.16 4.31 0.00 3.04 3.12 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 84 Y 8.25 3.67 0.00 3.02 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 85 K 8.25 4.20 0.00 1.93 1.88 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.67 7.81 86 G 7.54 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 *88 Q 7.67 4.02 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 89 L 8.10 4.85 0.00 1.66 1.54 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.57 0.00 2.27 2.26 0.00 3.80 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 91 P 0.00 4.46 0.00 2.26 2.22 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.85 0.00 92 A 7.65 4.82 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 93 D 9.07 4.57 0.00 2.75 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 94 H 8.00 5.10 0.00 3.16 3.12 0.00 5.90 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 7.60 5.55 0.00 3.19 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 96 D 9.14 5.30 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *98 I 8.19 4.04 2.12 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.24 0.99 0.00 0.00 99 R 8.69 3.76 0.00 1.96 1.98 0.00 3.24 0.00 0.00 3.31 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 100 P 0.00 4.78 0.00 2.05 2.00 0.00 3.73 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 101 V 9.00 4.48 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 1.02 0.00 0.00 1.01 0.00 0.00 102 V 8.40 4.83 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 0.75 0.00 0.00 0.88 0.00 0.00 103 Q 9.14 4.54 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 104 V 8.44 4.79 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 0.87 0.00 0.00 0.87 0.00 0.00 105 A 9.08 4.55 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.71 3.50 0.00 2.24 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.34 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 107 N 9.17 4.76 0.00 2.69 2.94 0.00 0.00 5.71 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 0.00 108 I 8.16 5.39 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.05 1.02 0.00 0.00 109 A 9.60 5.14 1.03 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 0.00 0.00 110 V 9.17 4.60 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 1.00 0.00 0.00 0.98 0.00 0.00 111 L 9.11 5.25 0.00 1.82 1.71 1.00 0.50 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 0.00 112 T 8.82 5.22 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 1.16 0.00 0.00 113 F 8.32 5.14 0.00 3.08 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 0.00 114 N 8.89 5.56 0.00 2.74 2.88 0.00 0.00 6.66 7.83 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 0.00 115 L 9.18 5.18 0.00 2.30 1.97 1.11 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 116 D 9.53 5.21 0.00 2.83 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 0.00 0.00 0.00 0.00 117 S 9.48 5.06 0.00 4.18 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 0.00 118 Y 9.25 4.70 0.00 3.13 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 0.00 119 L 9.61 4.29 0.00 1.71 1.69 0.98 1.30 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 0.00 120 S 8.95 3.54 0.00 3.70 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.98 4.88 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 9.45 4.81 0.00 1.64 1.66 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 1.20 7.81 123 V 8.03 4.71 1.88 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 0.39 0.00 0.00 0.63 0.00 0.00 124 I 8.99 4.26 1.94 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 1.06 0.59 0.00 0.00 0.00 125 K 8.25 4.95 0.00 1.63 1.73 0.00 1.57 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.65 1.36 7.81 126 W 9.53 5.54 0.00 3.47 3.36 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 0.00 127 N 9.58 5.19 0.00 2.57 2.61 0.00 0.00 6.52 7.55 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 0.00 128 C 8.35 4.42 0.00 1.36 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 0.00 129 T 8.29 4.89 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 1.14 0.00 0.00 130 E 9.26 4.98 0.00 2.04 1.82 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 2.11 2.85 0.00 131 V 8.84 4.85 2.11 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 1.07 0.00 0.00 0.96 0.00 0.00 132 Y 9.41 5.32 0.00 3.20 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 0.00 133 R 9.35 5.16 0.00 1.85 1.76 0.00 3.06 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.63 0.00 134 R 8.38 3.83 0.00 0.67 1.02 0.00 3.27 0.00 0.00 2.80 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.51 0.00 135 N 9.01 4.63 0.00 2.87 2.86 0.00 0.00 6.53 7.64 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 0.00 136 P 0.00 4.06 0.00 2.02 2.13 0.00 3.61 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 137 D 8.09 4.59 0.00 2.70 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 0.00 138 N 8.21 4.20 0.00 2.89 2.95 0.00 0.00 6.94 7.31 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 0.00 139 Q 8.39 4.79 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.08 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 140 W 8.97 5.10 0.00 3.28 3.44 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 0.00 141 K 9.25 5.01 0.00 1.65 1.68 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.54 7.81 142 I 8.70 4.17 1.76 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 -0.20 0.90 0.00 0.00 143 I 8.98 4.51 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.98 0.00 0.00 144 Q 7.63 5.13 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 145 T 9.11 4.99 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 1.06 0.00 0.00 146 H 8.97 5.00 0.00 3.36 2.88 0.00 5.58 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 W 8.78 5.26 0.00 3.14 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 0.00 148 S 9.30 5.03 0.00 3.81 3.90 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 0.00 149 Y 8.17 4.66 0.00 2.80 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 8.65 3.65 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 0.73 0.00 0.00 1.00 0.00 0.00 151 K 8.61 3.83 0.00 1.92 1.75 0.00 1.72 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.39 7.81 152 P 0.00 4.14 0.00 2.21 2.30 0.00 3.75 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 2.01 2.07 0.00 153 L 7.63 4.42 0.00 1.63 1.68 0.92 0.96 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 *154 D 7.59 4.42 0.00 2.43 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 * Residues marked with a * may have inaccurate shift predictions.