NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7842 8.3033 120.3437 55.6433 31.2085 174.2011 2 L 4.0996 7.9309 124.6208 57.1347 41.4150 178.2943 3 L 4.2229 9.1535 119.6470 57.0518 42.0900 178.6924 4 Q 4.2176 7.9893 118.0326 58.4495 28.9792 177.5935 5 F 4.4901 8.1504 121.2623 61.5523 39.3845 177.0269 6 R 3.7849 8.2747 118.2184 59.4878 29.8067 178.6852 7 K 4.1403 7.8016 116.8540 59.6586 32.1395 179.2534 8 M 4.6252 8.3598 119.0974 58.5846 31.7910 178.9793 9 I 3.7784 7.8638 120.0247 64.1903 37.2512 178.3036 10 K 4.4646 8.0296 121.8963 58.7798 31.7564 178.8155 11 K 3.7743 8.0302 118.9066 59.9168 32.2613 178.5502 12 M 4.3136 8.0440 117.4962 58.0970 32.0072 177.9000 13 T 4.2915 8.4006 112.4291 62.0264 68.5213 175.8610 14 G 3.8219 8.3391 109.2660 45.3655 0.0000 173.0050 *16 K 4.5403 7.5040 117.4949 55.9932 33.3910 174.8026 17 E 4.2682 8.3636 121.3763 55.2041 29.9624 175.3246 18 P 4.3868 0.0000 0.0000 65.9990 31.2835 178.6935 19 V 3.6233 8.0064 115.4477 65.2941 31.3343 177.5781 20 V 4.1567 7.6016 116.3441 65.4355 32.2109 177.5976 21 S 4.5087 7.9097 113.9476 59.6568 62.9867 174.6985 22 Y 4.6376 8.1504 117.2617 58.1152 40.0066 177.4927 23 A 3.8623 8.1649 122.2541 54.5431 18.7536 178.3678 24 F 5.0287 7.9604 112.3486 57.2629 40.8594 173.8595 25 Y 4.6342 8.2387 122.5864 58.4088 40.1346 175.8247 26 G 3.4722 7.7878 115.3933 47.3936 0.0000 175.2171 27 C 4.8737 9.2465 118.7522 56.5630 42.3093 174.3914 28 Y 4.4730 8.5177 114.7597 57.6908 39.3928 175.3544 29 C 4.6232 7.9248 117.2802 57.7140 41.5597 175.1162 30 G 3.7817 8.3419 110.6709 48.6874 0.0000 173.6646 31 S 3.6536 7.4356 112.3545 57.3749 68.3506 174.5003 32 G 3.8574 10.2573 105.6321 44.2317 0.0000 174.3023 33 G 4.3352 8.5217 109.0153 45.5783 0.0000 172.4059 34 R 4.4271 7.0105 115.7122 55.9053 32.9102 176.3351 35 G 3.8919 9.0972 107.5748 45.2237 0.0000 171.7814 36 K 4.6905 8.2380 122.7294 53.4225 34.2508 174.7729 37 P 4.3034 0.0000 0.0000 62.9472 31.8289 176.0237 38 K 3.7097 9.5060 125.7529 58.8803 32.3654 175.7037 39 N 4.7923 7.4337 112.8633 50.6844 39.7177 173.8607 40 A 4.0361 8.8395 118.9595 56.3339 18.3107 179.6934 41 T 4.1710 8.0079 113.5275 66.6779 68.6777 176.4912 42 D 4.5328 8.5434 120.0268 57.0680 41.1310 178.1866 43 R 4.0692 8.2170 119.5019 59.2625 30.0619 177.7099 44 C 4.2439 7.9789 116.6975 60.1388 39.2670 175.3995 45 C 4.3664 8.3354 117.7615 59.6661 38.2965 175.6288 46 F 3.8261 8.1240 122.3205 61.1692 38.8576 177.3986 47 V 3.0914 7.9051 117.9733 66.1773 31.4222 177.3189 48 H 3.7234 8.0330 117.8667 59.3385 29.3279 176.9396 49 D 4.1808 7.8184 120.6695 57.4366 40.4593 178.0864 50 C 4.1136 7.4142 116.0377 59.6539 41.3061 175.1741 51 C 4.2687 8.0686 120.5585 59.9960 41.5944 175.3242 52 Y 3.9280 7.7271 117.7675 60.6952 37.0993 178.2310 53 E 4.0064 7.6113 119.7317 58.7268 29.7468 177.8403 54 K 4.0436 7.9023 118.1476 58.5429 32.5168 177.8154 55 V 3.5424 7.0813 118.9929 63.7588 31.6724 174.5765 56 T 4.2004 8.5568 122.7062 65.1903 69.9607 176.1882 *59 G 3.6884 7.8022 108.1535 45.2938 0.0000 170.8337 *61 C 4.8219 7.5715 113.2042 55.2734 44.1139 172.0390 *67 D 4.7273 8.4068 116.8666 53.3810 40.3099 173.8379 68 P 3.8907 0.0000 0.0000 64.7320 31.9248 178.0883 69 K 3.5535 7.6784 120.8236 58.2592 32.0473 177.9458 70 W 4.7810 7.5907 113.9291 56.3129 30.0451 175.2490 71 D 4.7509 8.0033 119.9675 53.1327 41.1482 175.9877 72 D 4.5309 8.6865 124.7385 54.0655 41.5150 175.2072 73 Y 4.8568 8.2403 121.9523 55.2628 40.9527 174.2418 74 T 5.0070 8.5030 113.6764 60.5947 70.0245 172.2327 75 Y 5.4299 8.4956 125.3988 56.0839 41.5490 173.8167 76 S 4.3714 9.0091 113.5294 56.0790 66.8285 174.1758 77 W 4.7661 8.5706 120.6277 56.0375 29.2518 176.2823 78 K 3.8030 8.0446 120.3671 58.0057 31.6276 175.5419 79 N 4.1352 9.1521 126.6996 55.0136 36.2835 175.0269 80 G 4.2542 8.6318 102.0700 46.3653 0.0000 173.4503 81 T 4.8613 7.6711 115.3425 61.3005 72.7199 173.3572 82 I 3.3732 7.8322 125.5130 61.0248 38.1495 175.7539 83 V 4.1825 9.2910 128.1894 61.0263 33.2979 173.6208 84 C 4.7012 8.6891 126.0063 57.0020 40.6412 173.6700 85 G 3.8695 9.1235 112.4762 46.1303 0.0000 172.6016 86 G 4.0161 8.8080 106.0229 45.6770 0.0000 173.8139 *88 D 4.8389 8.0920 116.5510 53.6053 42.9104 175.3862 89 D 4.6713 7.7207 119.9066 52.6497 42.0141 175.1264 90 P 4.3137 0.0000 0.0000 65.2664 31.4354 179.2315 91 C 4.1981 8.2451 117.3364 59.7046 44.7867 175.8607 92 K 3.9207 8.1022 119.6074 59.2946 31.7388 179.1427 93 K 3.8410 8.0507 120.0141 59.1416 31.9707 178.4531 94 E 3.8067 8.2763 120.0064 59.5195 29.6619 179.3873 95 V 3.5569 7.6302 112.2934 64.3302 31.4001 177.8076 96 C 3.1608 7.8722 118.4370 59.2610 39.6943 175.5070 97 E 3.5879 7.9658 120.0433 58.9935 29.0343 178.7652 98 C 4.0631 7.6340 116.5573 60.0569 37.4820 175.6336 99 D 3.5544 7.7680 120.3036 57.0899 40.2563 178.8759 100 K 3.7732 8.0932 120.1056 59.4244 32.0522 178.7286 101 A 3.8790 7.8608 120.8408 54.8119 18.2283 179.5392 102 A 3.4556 7.7334 118.7962 55.1212 18.4751 179.6497 103 A 3.9897 7.9312 119.3031 55.3414 18.4162 179.9902 104 I 3.6258 7.4638 118.0683 64.6163 37.0810 177.6202 105 C 4.1270 8.1585 119.6386 59.8921 43.1369 175.6907 106 F 4.4468 7.9283 118.3332 60.5900 38.3594 177.3266 107 R 4.1214 8.0036 118.2966 59.7206 29.7599 178.4061 108 D 4.5007 8.2410 116.9596 56.2783 40.9752 177.3765 109 N 4.9334 7.8446 115.2877 52.7374 39.0219 175.8801 110 L 4.0344 7.7557 124.3121 58.2378 41.7471 179.1927 111 K 4.1020 8.2078 116.9306 59.1717 32.8409 177.5168 112 T 4.5308 7.9357 108.4993 61.2312 68.8435 173.5207 113 Y 4.2383 8.0062 124.8347 57.7985 39.4210 174.3832 114 K 4.6657 8.8696 127.3308 54.3483 34.0748 177.4940 115 K 4.2268 8.6220 124.8220 58.6243 32.4551 178.4702 116 R 3.9453 7.5735 113.7528 58.3113 29.9204 176.8009 117 Y 4.5054 7.1935 116.0690 59.0527 38.4222 175.6659 118 M 4.3437 7.0797 116.3759 55.9064 31.8746 175.5321 119 A 3.7394 8.3531 121.2393 53.3564 16.8601 177.0015 120 Y 4.1536 8.0997 120.0549 57.8951 39.6398 173.3879 121 P 4.3517 0.0000 0.0000 62.4413 32.2534 177.2839 122 D 4.3296 8.7269 123.2038 57.1134 41.1022 178.3223 *124 I 4.1005 7.5551 110.5754 60.6297 39.2411 176.2431 125 L 4.2876 7.4253 118.8991 55.6112 41.8544 176.4173 126 C 4.6502 8.4903 117.2312 55.8414 40.9958 173.4394 127 S 4.3103 8.5508 117.0447 59.0218 62.3012 174.6311 128 S 4.2744 8.5478 118.8733 59.1560 63.5638 173.8907 129 K 4.3388 7.3875 122.2448 54.5624 31.5025 175.6197 130 S 5.1579 8.2595 122.3034 57.7318 63.6067 174.1487 131 E 4.2169 8.0618 121.4158 56.0535 30.3902 175.9588 132 K 4.5493 8.3989 123.5881 55.0589 33.5816 177.6769 133 C 4.3857 8.9828 120.8251 57.5473 41.1313 173.6718 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 H 8.30 4.78 0.00 3.18 3.09 0.00 5.64 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 7.93 4.10 0.00 1.69 1.76 0.71 0.52 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 3 L 9.15 4.22 0.00 1.69 1.75 0.97 1.11 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 4 Q 7.99 4.22 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.23 0.00 5 F 8.15 4.49 0.00 3.28 3.26 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 6 R 8.27 3.78 0.00 2.07 2.17 0.00 3.19 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 7 K 7.80 4.14 0.00 2.26 2.11 0.00 1.94 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.57 1.58 7.81 8 M 8.36 4.63 0.00 2.19 2.45 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.49 0.00 9 I 7.86 3.78 1.83 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.43 0.64 0.00 0.00 10 K 8.03 4.46 0.00 1.96 1.97 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.31 7.81 11 K 8.03 3.77 0.00 1.97 1.78 0.00 1.43 0.00 0.00 0.61 0.00 0.00 2.63 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.30 0.96 7.81 12 M 8.04 4.31 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 3.31 0.00 13 T 8.40 4.29 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 14 G 8.34 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 0.00 0.00 0.00 *16 K 7.50 4.54 0.00 1.88 1.66 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.31 7.81 17 E 8.36 4.27 0.00 2.09 1.86 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 2.40 2.49 0.00 18 P 0.00 4.39 0.00 2.16 2.01 0.00 3.68 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.15 0.00 19 V 8.01 3.62 2.29 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 0.93 0.00 0.00 0.98 0.00 0.00 20 V 7.60 4.16 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 0.99 0.00 0.00 0.99 0.00 0.00 21 S 7.91 4.51 0.00 3.38 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 22 Y 8.15 4.64 0.00 2.96 2.55 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 23 A 8.16 3.86 0.76 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 0.00 0.00 24 F 7.96 5.03 0.00 3.25 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 25 Y 8.24 4.63 0.00 3.19 2.82 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 26 G 7.79 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.25 4.87 0.00 2.90 3.05 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 28 Y 8.52 4.47 0.00 3.35 3.13 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 0.00 0.00 0.00 29 C 7.92 4.62 0.00 3.39 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 30 G 8.34 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 0.00 0.00 0.00 31 S 7.44 3.65 0.00 4.10 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 32 G 10.26 3.86 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 0.00 33 G 8.52 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 0.00 0.00 0.00 0.00 34 R 7.01 4.43 0.00 1.83 1.79 0.00 3.19 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.52 0.00 35 G 9.10 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 0.00 0.00 0.00 36 K 8.24 4.69 0.00 1.67 1.62 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.22 1.31 7.81 37 P 0.00 4.30 0.00 1.93 2.03 0.00 3.53 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.51 0.00 38 K 9.51 3.71 0.00 1.45 0.87 0.00 1.29 0.00 0.00 0.99 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.21 7.81 39 N 7.43 4.79 0.00 2.92 2.84 0.00 0.00 6.04 7.32 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 40 A 8.84 4.04 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.17 4.14 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 1.07 0.00 0.00 42 D 8.54 4.53 0.00 3.00 2.85 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 43 R 8.22 4.07 0.00 2.03 2.13 0.00 3.13 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 44 C 7.98 4.24 0.00 3.36 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 45 C 8.34 4.37 0.00 3.43 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.12 3.83 0.00 2.57 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 47 V 7.91 3.09 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 0.87 0.00 0.00 1.01 0.00 0.00 48 H 8.03 3.72 0.00 3.12 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.82 4.18 0.00 2.94 2.66 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 50 C 7.41 4.11 0.00 2.73 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 51 C 8.07 4.27 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 3.93 0.00 3.01 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 53 E 7.61 4.01 0.00 2.10 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 2.38 0.00 54 K 7.90 4.04 0.00 1.89 1.79 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.42 1.37 7.81 55 V 7.08 3.54 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 0.66 0.00 0.00 0.81 0.00 0.00 56 T 8.56 4.20 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 1.20 0.00 0.00 *59 G 7.80 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 *61 C 7.57 4.82 0.00 3.44 3.35 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 *67 D 8.41 4.73 0.00 2.79 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 3.89 0.00 0.49 1.39 0.00 3.60 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 69 K 7.68 3.55 0.00 1.23 0.74 0.00 1.49 0.00 0.00 1.46 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.30 0.94 7.81 70 W 7.59 4.78 0.00 3.39 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 71 D 8.00 4.75 0.00 2.89 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 72 D 8.69 4.53 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.24 4.86 0.00 2.94 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 T 8.50 5.01 4.32 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 1.29 0.00 0.00 75 Y 8.50 5.43 0.00 2.99 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 76 S 9.01 4.37 0.00 3.78 3.86 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 77 W 8.57 4.77 0.00 3.36 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 78 K 8.04 3.80 0.00 1.73 1.78 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.46 7.81 79 N 9.15 4.14 0.00 2.99 2.94 0.00 0.00 7.02 8.15 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 80 G 8.63 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 0.00 0.00 0.00 0.00 81 T 7.67 4.86 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 82 I 7.83 3.37 1.49 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 -0.36 0.71 0.00 0.00 83 V 9.29 4.18 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 0.96 0.00 0.00 0.99 0.00 0.00 84 C 8.69 4.70 0.00 2.93 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 85 G 9.12 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 G 8.81 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 0.00 0.00 0.00 *88 D 8.09 4.84 0.00 2.71 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 89 D 7.72 4.67 0.00 2.68 2.55 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 90 P 0.00 4.31 0.00 2.17 2.04 0.00 3.64 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 91 C 8.25 4.20 0.00 3.00 3.17 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 0.00 0.00 0.00 0.00 92 K 8.10 3.92 0.00 1.86 1.92 0.00 1.89 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.74 1.52 7.81 93 K 8.05 3.84 0.00 1.94 1.91 0.00 1.78 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.36 7.81 94 E 8.28 3.81 0.00 2.23 1.86 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 2.23 2.29 0.00 95 V 7.63 3.56 1.73 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 0.75 0.00 0.00 0.95 0.00 0.00 96 C 7.87 3.16 0.00 2.13 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 97 E 7.97 3.59 0.00 2.06 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 0.00 2.39 2.38 0.00 98 C 7.63 4.06 0.00 3.16 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 99 D 7.77 3.55 0.00 2.63 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 0.00 100 K 8.09 3.77 0.00 1.64 1.79 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.26 7.81 101 A 7.86 3.88 1.27 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 0.00 102 A 7.73 3.46 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 0.00 103 A 7.93 3.99 1.52 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 0.00 0.00 104 I 7.46 3.63 2.04 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 1.41 0.68 0.91 0.00 0.00 105 C 8.16 4.13 0.00 2.95 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 0.00 106 F 7.93 4.45 0.00 2.99 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.00 4.12 0.00 2.10 2.14 0.00 3.15 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.96 0.00 108 D 8.24 4.50 0.00 2.72 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 0.00 109 N 7.84 4.93 0.00 2.86 2.90 0.00 0.00 6.43 7.68 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 0.00 110 L 7.76 4.03 0.00 2.05 1.75 0.91 0.36 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 0.00 111 K 8.21 4.10 0.00 1.95 1.98 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 112 T 7.94 4.53 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 1.28 0.00 0.00 113 Y 8.01 4.24 0.00 3.02 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 K 8.87 4.67 0.00 1.76 1.40 0.00 2.04 0.00 0.00 1.97 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.33 1.43 7.81 115 K 8.62 4.23 0.00 1.90 1.82 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.54 7.81 116 R 7.57 3.95 0.00 1.74 1.84 0.00 2.51 0.00 0.00 2.95 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.52 0.00 117 Y 7.19 4.51 0.00 1.76 1.67 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 0.00 118 M 7.08 4.34 0.00 2.47 2.21 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 119 A 8.35 3.74 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 0.00 120 Y 8.10 4.15 0.00 3.06 3.05 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 0.00 121 P 0.00 4.35 0.00 1.94 1.80 0.00 2.27 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 122 D 8.73 4.33 0.00 2.73 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 *124 I 7.56 4.10 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.38 0.90 0.00 0.00 125 L 7.43 4.29 0.00 1.68 1.82 0.54 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.49 4.65 0.00 3.07 3.15 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 0.00 127 S 8.55 4.31 0.00 3.83 3.76 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 0.00 128 S 8.55 4.27 0.00 4.03 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 0.00 129 K 7.39 4.34 0.00 1.69 1.79 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.44 7.81 130 S 8.26 5.16 0.00 3.89 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 0.00 131 E 8.06 4.22 0.00 1.80 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 2.13 2.16 0.00 132 K 8.40 4.55 0.00 1.69 1.77 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.56 7.81 133 C 8.98 4.39 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.