NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.8319 8.4244 118.1353 53.1389 40.3526 175.3703 3 L 3.9642 8.1944 122.6116 56.5847 42.5499 175.0192 4 P 4.3737 0.0000 0.0000 62.8795 32.7128 176.3423 5 T 4.2505 9.7044 114.6380 60.6996 71.2072 175.7325 6 A 3.9183 8.4061 121.9819 55.5375 18.3003 179.7260 7 Q 3.9337 7.9893 115.9328 59.1603 28.8372 178.8447 8 E 3.8617 7.9975 119.1373 59.1258 29.3894 179.3318 9 V 3.0557 7.9521 118.7240 66.1091 31.5460 177.9108 10 Q 4.0723 8.0916 117.6622 59.1180 28.5735 179.4725 11 G 3.5613 7.8919 106.4855 47.6860 0.0000 175.8423 12 L 4.0008 8.2595 121.8095 57.9100 41.4835 179.5816 13 M 4.2280 8.4906 118.7692 58.0486 31.8676 178.7521 14 A 4.0053 8.1073 121.2911 55.1111 18.5353 179.6351 15 R 3.8412 8.1004 117.3208 59.4715 30.1154 177.9515 16 Y 3.9780 8.0241 119.4300 60.9234 38.7492 178.1638 17 I 3.4640 7.5845 120.5107 64.4572 37.1644 177.9908 18 E 3.8965 7.8769 119.4641 59.2760 29.4198 178.9134 19 L 3.8867 7.8557 119.1355 57.6667 41.3885 179.6893 20 V 3.4200 7.2986 117.4943 65.6721 31.4683 177.2814 21 D 4.4247 8.0480 117.4913 57.4163 41.2249 178.2713 22 V 3.9219 7.8118 110.8334 61.5784 31.7966 176.7594 23 G 3.7360 7.9526 106.4372 46.8771 0.0000 174.7251 24 D 4.5585 7.7267 120.5411 52.3471 39.7675 175.4608 25 I 3.5918 7.8662 125.8988 64.1167 37.4826 177.4299 26 E 3.9496 8.1320 118.5387 59.2842 29.1210 179.0931 27 A 4.0797 8.0622 120.0924 54.7625 18.8108 179.5912 28 I 3.7377 7.5187 118.7289 64.5412 37.3007 178.6267 29 V 3.7280 7.9004 119.2538 66.2161 31.1007 177.8647 30 Q 4.0972 8.0150 118.1515 59.1940 29.0649 177.7510 31 M 4.2171 7.9996 119.4265 57.1741 31.9460 176.1409 32 Y 4.5991 7.1554 115.4078 56.7601 39.2210 175.2990 33 A 4.2769 9.0491 126.2133 51.8054 19.3327 178.6295 34 D 4.4468 8.8968 120.7434 56.0080 39.2473 177.3485 35 D 5.3739 7.8150 117.9957 52.7353 40.0409 176.4767 36 A 4.6588 8.4336 121.4153 53.2530 20.1532 177.2520 37 T 4.9835 8.7344 108.8263 59.8961 72.1178 173.3465 38 V 4.7829 8.3376 122.9754 61.2276 35.1521 173.9842 39 E 4.6113 9.1034 126.7426 54.7292 32.2204 174.9418 40 D 4.8809 8.1426 125.3219 52.1759 43.5233 172.9410 41 P 4.6163 0.0000 0.0000 61.8172 33.0375 175.4345 42 F 4.0749 8.6483 124.4742 59.6846 39.1406 175.0101 43 G 3.5360 7.8242 112.7674 45.3222 0.0000 173.5325 44 Q 4.3044 7.0063 119.9862 53.3771 30.5401 173.3677 45 P 4.2027 0.0000 0.0000 62.1823 31.8606 174.7976 46 P 4.6016 0.0000 0.0000 62.5594 32.2450 175.5698 47 I 4.4085 8.3577 116.9216 59.5779 40.0355 174.0028 48 H 5.1771 8.9329 122.1732 55.0770 30.9756 175.0066 49 G 4.1812 9.0344 108.2797 45.9381 0.0000 174.8430 50 R 3.9152 8.2083 118.7730 58.8071 29.9003 179.3944 51 E 3.9223 8.0860 118.8109 59.5213 29.8369 178.7675 52 Q 4.0505 8.0138 117.5904 59.0200 28.7469 178.6865 53 I 3.8104 8.0524 120.7994 64.1531 37.0849 178.3282 54 A 4.0910 8.5845 121.9699 55.1999 18.2749 179.5652 55 A 3.9854 8.1130 119.3623 55.1248 18.3150 179.5765 56 F 4.1244 8.4156 119.1737 61.9035 39.5162 177.1064 57 Y 3.7539 8.3988 116.3665 60.6584 37.3815 178.2521 58 R 3.9847 8.0598 119.3557 59.3951 30.2514 178.2175 59 Q 4.1896 7.9921 117.2974 58.7209 28.7335 178.6362 60 G 3.4933 7.4130 105.5706 45.9887 0.0000 173.9882 61 L 4.4914 7.6606 120.3069 52.8396 43.2177 176.9240 *65 K 4.2698 8.3800 119.9096 56.1780 34.2022 175.5315 66 V 4.7179 7.4695 118.3114 61.6234 34.6383 173.7544 67 R 4.9370 9.3908 127.4276 54.6049 32.9337 174.1203 68 A 5.7143 9.1831 126.4209 50.5264 22.6391 174.9861 69 C 4.7804 8.5204 113.7787 56.9603 33.0331 173.4931 70 L 4.6739 8.6414 120.8611 55.3575 41.7983 177.2494 71 T 4.5061 8.2751 111.4223 60.9648 69.2930 173.7272 72 G 4.0279 7.3285 109.1995 44.4452 0.0000 171.5500 73 P 4.4593 0.0000 0.0000 62.1547 32.0388 176.1747 74 V 3.8508 8.1301 119.7790 62.9822 32.5119 175.4797 75 R 4.5487 9.2953 127.2287 54.8843 31.3125 175.1080 76 A 5.2043 8.5469 125.9220 50.2481 21.6972 175.5779 77 S 4.6110 8.7707 115.2310 57.0581 65.7554 173.7277 78 H 4.8163 8.6894 114.6984 55.7717 28.6956 175.3957 79 N 4.9834 7.6959 117.1455 52.5183 37.6525 174.4583 80 G 3.9848 8.3349 102.7849 48.1023 0.0000 173.1954 81 C 5.4793 7.7305 115.7682 57.9476 32.6017 173.1478 82 G 4.4471 8.8381 105.8092 46.1072 0.0000 172.1326 83 A 5.5248 8.8802 121.2594 50.6388 23.0644 175.3112 84 M 5.2002 9.2212 117.8018 53.2106 35.4616 171.9010 85 P 5.5641 0.0000 0.0000 61.6343 33.9814 174.1866 86 F 5.4942 9.2752 117.5218 55.9066 42.1288 172.6988 87 R 4.9411 9.0417 118.7800 54.4363 33.6307 173.9856 88 V 4.9401 8.7675 124.4556 61.1778 34.7827 173.7839 89 E 5.1087 9.8610 128.9030 55.0830 31.6282 175.0855 90 M 5.1265 8.7670 121.4198 53.8861 35.5992 173.8723 91 V 4.9439 8.3743 110.8580 59.4509 34.6967 175.7188 92 W 5.0683 9.5255 135.0000 56.5849 32.8876 174.7424 93 N 4.0903 9.6109 124.5599 54.6126 35.1007 175.1435 94 G 3.9298 8.3940 102.6940 46.0990 0.0000 173.6250 95 Q 4.6357 7.8950 119.4719 53.0176 30.7014 172.9355 96 P 5.2313 0.0000 0.0000 62.7503 32.4458 175.0531 97 C 5.2419 9.3215 117.9246 56.3818 33.9203 172.3618 98 A 5.2132 9.3191 119.8924 50.1035 22.6994 174.9084 99 L 4.9588 8.6943 121.5227 53.3901 45.4059 174.9769 100 D 5.0105 8.6199 126.7447 53.5224 41.9691 176.1678 101 V 4.6702 8.6548 122.2601 61.2529 35.9611 173.8942 102 I 5.2143 8.4535 124.6557 59.7480 40.6226 174.3970 103 L 5.3175 9.1410 127.5131 53.2639 44.1838 175.7704 104 V 4.9232 8.8787 122.5828 61.4777 34.4281 174.2536 105 M 5.2021 9.3451 126.4867 53.4932 36.7787 174.2176 106 R 4.9754 8.4232 121.3105 54.8024 33.0122 174.4509 107 F 5.1097 9.4734 125.8511 56.2641 41.4187 175.5671 108 D 4.8828 9.1749 121.7310 51.8035 41.3544 176.8578 109 E 4.2289 8.7345 115.5289 58.4179 28.0442 176.8126 110 H 4.6940 9.3613 117.2385 55.4418 29.1986 175.1540 111 G 3.9659 8.2992 106.4426 46.3228 0.0000 174.0715 112 R 4.8705 7.5632 116.6114 53.7808 32.5217 175.6158 113 I 3.2788 8.2547 122.6854 61.6736 37.4802 176.5271 114 Q 4.2380 9.3333 129.8984 58.1687 30.4167 175.5742 115 T 5.2828 7.5568 107.4916 60.1627 72.7742 172.4312 116 M 5.2631 8.9387 122.6557 54.1240 36.2934 173.8177 117 Q 5.0283 9.2527 123.6078 54.2711 33.0798 173.7514 118 A 5.2113 9.0817 127.0633 50.7030 21.1811 174.9466 119 Y 4.7674 9.1450 121.9233 56.5179 39.5217 175.3011 120 W 4.7351 8.0651 121.5181 56.8531 30.2968 173.3524 121 S 4.4699 8.5871 114.5774 56.7470 65.9574 174.7164 122 E 4.1225 8.7802 118.9016 59.0887 29.1453 179.3245 123 V 3.9326 7.4937 116.6401 63.0537 31.8991 176.1828 124 N 4.8822 8.5592 118.3197 53.1614 39.7406 174.0164 125 L 5.0450 7.7639 122.0591 54.0231 43.8835 176.4789 126 S 4.5010 9.1552 120.2496 57.3816 65.7424 174.1024 127 V 4.2409 8.5399 120.9007 60.5527 33.6805 177.4557 *128 R 4.1161 8.2723 118.6983 56.7334 29.9981 173.4277 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 2 N 8.42 4.83 0.00 2.76 2.96 0.00 0.00 6.89 6.97 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 3 L 8.19 3.96 0.00 1.67 1.79 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.37 0.00 1.81 1.69 0.00 3.74 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 1.85 1.97 0.00 5 T 9.70 4.25 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 6 A 8.41 3.92 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 7 Q 7.99 3.93 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 8 E 8.00 3.86 0.00 2.13 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 9 V 7.95 3.06 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 1.14 0.00 0.00 0.81 0.00 0.00 10 Q 8.09 4.07 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 11 G 7.89 3.56 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 0.00 0.00 0.00 12 L 8.26 4.00 0.00 1.35 1.67 0.18 0.90 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 13 M 8.49 4.23 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.71 0.00 14 A 8.11 4.01 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 15 R 8.10 3.84 0.00 1.91 2.18 0.00 3.10 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 16 Y 8.02 3.98 0.00 3.11 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 17 I 7.58 3.46 2.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.69 0.88 0.00 0.00 18 E 7.88 3.90 0.00 2.22 1.94 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 2.28 2.36 0.00 19 L 7.86 3.89 0.00 1.61 1.52 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.30 3.42 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 0.78 0.00 0.00 0.33 0.00 0.00 21 D 8.05 4.42 0.00 2.86 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 22 V 7.81 3.92 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 0.79 0.00 0.00 0.99 0.00 0.00 23 G 7.95 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 24 D 7.73 4.56 0.00 2.67 2.51 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 0.00 0.00 0.00 0.00 25 I 7.87 3.59 1.87 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 1.67 0.56 0.94 0.00 0.00 26 E 8.13 3.95 0.00 2.00 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 2.40 2.37 0.00 27 A 8.06 4.08 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 28 I 7.52 3.74 1.71 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.12 0.29 0.00 0.00 29 V 7.90 3.73 2.26 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 1.04 0.00 0.00 1.04 0.00 0.00 30 Q 8.01 4.10 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 31 M 8.00 4.22 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.62 0.00 32 Y 7.16 4.60 0.00 3.19 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 33 A 9.05 4.28 1.46 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 34 D 8.90 4.45 0.00 2.93 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 35 D 7.81 5.37 0.00 2.69 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 36 A 8.43 4.66 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.73 4.98 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 1.14 0.00 0.00 38 V 8.34 4.78 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 0.73 0.00 0.00 0.75 0.00 0.00 39 E 9.10 4.61 0.00 1.99 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 2.08 2.14 0.00 40 D 8.14 4.88 0.00 2.69 2.38 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 41 P 0.00 4.62 0.00 1.32 0.49 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.04 0.00 42 F 8.65 4.07 0.00 2.32 2.38 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 43 G 7.82 3.54 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 0.00 0.00 0.00 44 Q 7.01 4.30 0.00 1.97 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 45 P 0.00 4.20 0.00 1.99 1.91 0.00 3.62 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 46 P 0.00 4.60 0.00 1.78 1.84 0.00 3.59 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 1.97 1.98 0.00 47 I 8.36 4.41 1.74 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.53 0.69 0.00 0.00 48 H 8.93 5.18 0.00 3.03 3.22 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.03 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 0.00 0.00 0.00 0.00 50 R 8.21 3.92 0.00 1.89 2.03 0.00 3.17 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.82 0.00 51 E 8.09 3.92 0.00 2.05 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 2.39 2.42 0.00 52 Q 8.01 4.05 0.00 2.45 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 53 I 8.05 3.81 1.81 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 1.24 0.69 0.87 0.00 0.00 54 A 8.58 4.09 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 55 A 8.11 3.99 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 56 F 8.42 4.12 0.00 3.13 3.23 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 0.00 57 Y 8.40 3.75 0.00 3.06 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 58 R 8.06 3.98 0.00 1.98 2.10 0.00 3.28 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 59 Q 7.99 4.19 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 60 G 7.41 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 0.00 0.00 0.00 61 L 7.66 4.49 0.00 1.69 1.59 0.97 1.02 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 *65 K 8.38 4.27 0.00 1.89 1.96 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.43 7.81 66 V 7.47 4.72 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 0.81 0.00 0.00 0.91 0.00 0.00 67 R 9.39 4.94 0.00 1.89 1.72 0.00 3.17 0.00 0.00 3.60 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 68 A 9.18 5.71 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 69 C 8.52 4.78 0.00 3.01 3.02 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 70 L 8.64 4.67 0.00 1.71 1.85 0.95 0.93 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 71 T 8.28 4.51 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 1.28 0.00 0.00 72 G 7.33 4.03 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 0.00 73 P 0.00 4.46 0.00 2.20 2.07 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 74 V 8.13 3.85 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 0.81 0.00 0.00 0.95 0.00 0.00 75 R 9.30 4.55 0.00 1.93 1.84 0.00 3.30 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 76 A 8.55 5.20 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 77 S 8.77 4.61 0.00 3.81 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 78 H 8.69 4.82 0.00 3.18 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.70 4.98 0.00 2.80 2.87 0.00 0.00 6.12 7.00 0.00 0.00 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 8.33 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 81 C 7.73 5.48 0.00 2.89 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 82 G 8.84 4.45 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 0.00 83 A 8.88 5.52 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 84 M 9.22 5.20 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 85 P 0.00 5.56 0.00 2.18 2.25 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 86 F 9.28 5.49 0.00 3.30 3.16 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 87 R 9.04 4.94 0.00 1.86 1.78 0.00 3.03 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 88 V 8.77 4.94 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 1.04 0.00 0.00 1.10 0.00 0.00 89 E 9.86 5.11 0.00 1.83 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 90 M 8.77 5.13 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 91 V 8.37 4.94 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 0.74 0.00 0.00 0.97 0.00 0.00 92 W 9.53 5.07 0.00 3.11 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 93 N 9.61 4.09 0.00 2.51 2.65 0.00 0.00 7.14 7.65 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 94 G 8.39 3.93 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 0.00 0.00 0.00 95 Q 7.89 4.64 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.96 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 96 P 0.00 5.23 0.00 2.10 2.08 0.00 3.72 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 2.00 1.97 0.00 97 C 9.32 5.24 0.00 3.12 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 98 A 9.32 5.21 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 99 L 8.69 4.96 0.00 1.45 1.18 0.69 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.62 5.01 0.00 2.59 2.53 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 0.00 101 V 8.65 4.67 0.67 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 0.95 0.00 0.00 0.41 0.00 0.00 102 I 8.45 5.21 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.69 0.98 0.00 0.00 103 L 9.14 5.32 0.00 1.78 1.62 0.80 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.88 4.92 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 1.11 0.00 0.00 0.98 0.00 0.00 105 M 9.35 5.20 0.00 1.33 1.80 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.14 0.00 106 R 8.42 4.98 0.00 1.86 1.70 0.00 3.08 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 107 F 9.47 5.11 0.00 2.85 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 0.00 108 D 9.17 4.88 0.00 2.93 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 0.00 109 E 8.73 4.23 0.00 2.01 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 2.30 2.18 0.00 110 H 9.36 4.69 0.00 3.37 3.36 0.00 5.91 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.30 3.97 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 0.00 0.00 0.00 112 R 7.56 4.87 0.00 2.25 2.03 0.00 3.17 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 113 I 8.25 3.28 1.06 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.34 0.40 0.00 0.00 114 Q 9.33 4.24 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 115 T 7.56 5.28 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 1.22 0.00 0.00 116 M 8.94 5.26 0.00 2.28 1.95 0.00 0.00 0.00 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.62 0.00 117 Q 9.25 5.03 0.00 1.98 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.49 2.31 0.00 118 A 9.08 5.21 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.14 4.77 0.00 3.06 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 0.00 120 W 8.07 4.74 0.00 3.40 3.02 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 0.00 121 S 8.59 4.47 0.00 3.96 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 0.00 122 E 8.78 4.12 0.00 2.14 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 2.43 2.45 0.00 123 V 7.49 3.93 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 0.73 0.00 0.00 0.96 0.00 0.00 124 N 8.56 4.88 0.00 3.02 3.03 0.00 0.00 6.48 6.85 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 0.00 125 L 7.76 5.04 0.00 1.71 1.76 0.73 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 126 S 9.16 4.50 0.00 3.86 3.94 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 0.00 127 V 8.54 4.24 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 1.02 0.00 0.00 1.04 0.00 0.00 *128 R 8.27 4.12 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.