NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.2902 8.4331 120.2285 56.2882 30.9026 174.9594 13 G 3.8164 8.3685 110.7379 43.5503 0.0000 172.0582 14 N 4.8243 8.9897 118.8292 51.4909 40.9974 173.3416 15 L 4.0687 8.4961 126.3138 57.2541 42.0099 179.1326 16 F 4.0653 8.3892 116.2600 59.6635 39.2532 175.4926 17 A 4.2961 8.0139 124.9747 51.2297 18.7118 178.0834 18 E 3.9434 8.9800 121.8082 59.1936 29.6890 177.8378 19 Q 4.4416 7.8767 115.8542 55.4982 29.1878 174.5102 20 C 4.3601 7.7903 120.8340 57.9923 32.2264 172.8307 21 P 4.3412 0.0000 0.0000 65.7355 30.5238 178.4406 22 S 4.1511 8.1649 113.9924 61.6711 62.5560 176.5510 23 R 3.8385 8.0757 121.5247 58.9089 29.7688 178.6765 24 E 3.8080 8.0138 119.0180 59.3951 29.7867 179.2907 25 V 3.6544 7.6628 112.0018 64.1710 31.7249 178.1004 26 L 3.9038 8.1484 120.3289 58.0847 41.8990 178.7486 27 K 3.9333 8.1620 119.6431 60.1608 31.9967 178.3804 28 H 4.4303 8.1358 116.1842 58.4548 28.5144 177.3730 29 V 4.1629 7.6516 111.4416 61.9507 31.8993 176.3470 30 T 4.4741 7.2388 110.0676 61.1207 68.9458 174.0621 31 S 4.2394 7.7293 115.5348 58.5618 63.7113 175.1051 32 R 3.5992 8.4049 121.5027 59.6737 29.4484 178.8940 33 W 4.7967 7.6375 118.0748 59.6521 29.1933 178.7051 34 G 3.7135 8.1395 107.1634 47.1711 0.0000 175.8848 35 V 3.5893 8.2514 121.0861 65.7675 31.5744 178.1912 36 L 4.0116 7.7041 118.4697 57.7591 41.4710 179.4396 37 I 3.6092 7.9925 119.9058 64.5490 36.8692 178.5472 38 L 3.9801 7.7316 118.2285 57.6230 41.5611 179.5522 39 V 3.6957 8.0243 118.1129 65.9472 31.5326 177.9228 40 A 3.9814 8.5126 120.8575 55.1462 18.2337 179.1619 41 L 4.4162 7.8063 117.3670 56.0134 41.5638 179.4794 42 R 4.0247 7.5593 118.2328 59.1395 30.0172 178.1923 43 D 4.5771 7.7844 117.4822 55.9066 40.9147 175.5092 44 G 3.9732 7.8283 105.0270 43.2542 0.0000 172.4963 45 T 4.4771 8.3649 116.6954 64.5525 68.9345 173.9130 46 H 5.0803 9.3127 122.6750 53.7229 32.7276 173.7999 47 R 4.6646 8.6854 120.6230 56.1343 31.0138 177.5202 48 F 4.1418 9.4833 123.8771 61.9530 39.3115 177.9816 49 S 4.2866 8.3405 113.1465 61.4695 62.7174 176.0894 50 D 4.3512 8.0558 121.4223 56.9384 40.7681 178.0371 51 L 4.0604 7.7036 118.5573 57.8919 41.7429 179.1297 52 R 3.8421 7.5558 117.2234 58.6869 31.3133 178.4516 53 R 4.3811 7.4767 116.1864 54.6819 25.9119 174.8474 *56 G 3.5870 7.5953 110.5320 48.3669 0.0000 170.7680 57 G 4.1696 9.0358 114.2757 44.9158 0.0000 173.6745 58 V 2.8493 6.9511 119.6297 60.9001 31.9737 176.1920 59 S 4.4540 7.8753 117.6663 57.0939 64.9116 174.2902 60 E 4.3590 8.3189 121.0437 57.0050 27.4043 177.2188 *63 L 3.8713 7.8558 124.0668 54.8113 44.5787 178.3871 64 A 4.2318 8.6995 120.4811 55.4060 18.1981 179.6343 65 Q 3.9655 8.0398 115.8289 59.3866 28.9313 179.0851 66 S 4.1853 8.0571 115.5992 61.4891 62.8406 176.6270 67 L 3.8614 7.9705 121.7163 57.6713 41.2912 179.1468 68 Q 3.9818 8.1863 119.2469 59.2938 29.0120 178.4495 69 A 3.9115 7.9622 121.5791 55.2385 18.4177 179.6715 70 L 4.2215 8.1349 117.5495 57.7716 41.6511 179.4638 71 E 3.9863 8.5323 119.6545 59.3520 29.4601 178.6325 72 Q 4.0029 8.0760 118.3853 59.0658 29.1414 177.4657 73 D 4.3264 7.7599 118.4470 55.0073 40.9277 177.1669 74 G 3.9100 7.6161 107.3353 44.9846 0.0000 174.1150 75 F 5.0329 8.2435 118.5653 58.2774 40.4053 175.6564 76 L 5.4559 7.7648 117.4488 53.0189 45.6401 175.5493 77 N 4.8036 9.3911 121.3643 52.3399 40.2866 173.9134 78 R 4.6203 8.5839 123.9136 54.3995 32.2428 174.8586 79 V 4.1413 8.5102 126.9136 61.1443 33.7271 174.3740 80 S 4.6742 8.3238 124.2696 57.9633 64.1816 173.8031 81 Y 4.5102 9.1176 123.3977 55.6058 38.3242 174.6813 82 P 4.3610 0.0000 0.0000 63.3590 32.5154 177.5113 83 V 3.6412 7.7583 119.6135 61.9202 31.6302 175.2586 84 V 4.3858 8.0977 121.2985 59.8082 32.5520 174.1821 85 P 4.4055 0.0000 0.0000 61.6212 31.9259 174.3602 86 P 5.3088 0.0000 0.0000 63.2307 32.0983 174.7343 87 H 5.2146 9.3191 116.4227 54.4438 32.8508 172.2361 88 V 4.9286 8.4718 117.3593 60.0361 34.6960 174.0367 89 E 5.3297 9.1777 123.3882 54.8390 32.6845 174.5676 90 Y 5.9541 9.6296 120.7990 55.4703 42.0189 174.7487 91 S 5.1127 8.4956 115.5169 56.6091 67.2897 172.8058 92 L 4.8377 8.5078 120.9366 54.8770 42.2247 177.4335 93 T 4.2491 8.6694 113.9297 60.6403 70.2604 173.8081 94 P 4.2471 0.0000 0.0000 65.8475 31.3628 178.6545 95 L 4.1801 8.0965 118.6481 58.1972 42.0718 179.1344 96 G 3.7260 8.3368 105.7570 47.5742 0.0000 175.5182 97 E 4.0232 8.4902 121.0619 59.4632 29.2149 179.5790 98 Q 3.9924 7.6655 117.1032 58.9081 28.9445 178.7032 99 V 3.6251 7.3257 118.5453 64.6610 31.5454 177.7339 100 S 4.1844 7.9273 113.8439 61.2936 62.0944 176.0877 101 D 4.3729 7.6624 117.6833 55.6294 40.7178 178.4086 *103 V 3.8596 7.6922 120.4846 62.9121 33.4109 177.3652 104 A 3.9693 8.6654 121.9409 55.2008 18.1153 179.4007 105 A 4.0989 8.0308 119.2398 55.1181 18.3998 179.7313 106 L 3.9380 7.8538 118.1922 58.0759 42.3730 178.6199 107 A 4.0164 8.1789 120.9364 55.4205 18.2797 179.1265 108 D 4.2885 8.6694 116.7716 57.1169 41.2322 178.1360 109 W 3.9960 8.3872 128.8759 60.5143 30.5165 177.9216 110 I 3.8661 7.9829 118.3550 64.6025 36.7687 177.9933 111 E 4.0526 8.2325 119.2566 59.2568 29.0686 179.1429 112 L 3.8627 7.7952 119.3684 57.8093 42.3212 177.8735 113 N 4.3838 7.6012 114.5678 52.7352 38.3476 176.4246 114 L 3.8270 7.2604 124.8920 58.0306 42.1036 177.1663 115 P 4.1794 0.0000 0.0000 65.9338 31.2358 178.5673 116 Q 3.9692 7.8696 116.1482 58.7284 28.8187 178.6189 117 V 3.5795 7.5114 119.0352 66.1139 31.4627 178.1180 118 L 3.9809 8.1475 118.5616 57.7459 41.1831 179.2750 119 A 4.1520 8.1042 120.6911 55.4267 18.0426 179.6752 120 Q 4.0278 7.9372 115.4544 58.6522 28.8328 178.6536 121 R 4.0926 7.5833 118.8036 59.1058 30.1795 178.4725 122 E 4.1039 7.7327 116.5107 59.3596 29.7111 177.0934 123 R 4.0800 7.3276 122.3160 56.3552 30.1671 176.1982 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 12 E 8.43 4.29 0.00 1.97 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 2.22 2.39 0.00 13 G 8.37 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 14 N 8.99 4.82 0.00 2.79 2.70 0.00 0.00 6.91 6.66 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 15 L 8.50 4.07 0.00 1.47 1.49 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.39 4.07 0.00 3.20 3.14 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 0.00 17 A 8.01 4.30 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 18 E 8.98 3.94 0.00 2.09 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 0.00 2.29 2.35 0.00 19 Q 7.88 4.44 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 20 C 7.79 4.36 0.00 2.94 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 21 P 0.00 4.34 0.00 2.30 2.30 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 22 S 8.16 4.15 0.00 4.07 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 23 R 8.08 3.84 0.00 1.97 1.98 0.00 3.09 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 24 E 8.01 3.81 0.00 2.10 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 2.24 2.32 0.00 25 V 7.66 3.65 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 0.89 0.00 0.00 1.02 0.00 0.00 26 L 8.15 3.90 0.00 1.78 1.86 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.16 3.93 0.00 1.98 1.94 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.48 7.81 28 H 8.14 4.43 0.00 3.53 3.40 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.65 4.16 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 0.65 0.00 0.00 0.92 0.00 0.00 30 T 7.24 4.47 4.50 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 1.18 0.00 0.00 31 S 7.73 4.24 0.00 3.97 4.16 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 32 R 8.40 3.60 0.00 1.35 0.85 0.00 2.78 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 33 W 7.64 4.80 0.00 3.36 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 34 G 8.14 3.71 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 0.00 0.00 0.00 35 V 8.25 3.59 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 1.01 0.00 0.00 1.01 0.00 0.00 36 L 7.70 4.01 0.00 2.10 1.78 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.99 3.61 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 1.38 0.67 0.82 0.00 0.00 38 L 7.73 3.98 0.00 1.57 1.66 0.74 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.02 3.70 2.14 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 1.01 0.00 0.00 0.98 0.00 0.00 40 A 8.51 3.98 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 41 L 7.81 4.42 0.00 1.72 1.75 0.98 0.92 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 42 R 7.56 4.02 0.00 1.90 2.01 0.00 3.15 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 43 D 7.78 4.58 0.00 2.89 2.79 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 0.00 0.00 0.00 0.00 44 G 7.83 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 45 T 8.36 4.48 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 1.39 0.00 0.00 46 H 9.31 5.08 0.00 3.14 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.69 4.66 0.00 1.94 1.99 0.00 3.11 0.00 0.00 3.03 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.59 0.00 48 F 9.48 4.14 0.00 3.45 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 49 S 8.34 4.29 0.00 4.16 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 50 D 8.06 4.35 0.00 2.84 2.79 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 0.00 0.00 0.00 0.00 51 L 7.70 4.06 0.00 1.53 1.50 0.77 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.56 3.84 0.00 1.60 2.00 0.00 3.23 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 53 R 7.48 4.38 0.00 2.02 1.95 0.00 3.15 0.00 0.00 3.22 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 *56 G 7.60 3.59 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 0.00 0.00 0.00 57 G 9.04 4.17 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 0.00 0.00 0.00 58 V 6.95 2.85 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 0.33 0.00 0.00 -0.59 0.00 0.00 59 S 7.88 4.45 0.00 3.97 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 60 E 8.32 4.36 0.00 2.10 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 2.71 2.41 0.00 *63 L 7.86 3.87 0.00 1.36 1.63 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.70 4.23 1.47 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 65 Q 8.04 3.97 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 66 S 8.06 4.19 0.00 3.90 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 67 L 7.97 3.86 0.00 1.78 1.44 0.60 -0.08 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 68 Q 8.19 3.98 0.00 2.18 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 69 A 7.96 3.91 1.13 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 0.00 0.00 70 L 8.13 4.22 0.00 1.80 1.95 0.95 0.89 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 71 E 8.53 3.99 0.00 2.18 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 2.34 2.60 0.00 72 Q 8.08 4.00 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 73 D 7.76 4.33 0.00 2.26 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 0.00 0.00 0.00 74 G 7.62 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 75 F 8.24 5.03 0.00 3.19 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 76 L 7.76 5.46 0.00 1.59 1.70 1.03 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 77 N 9.39 4.80 0.00 2.70 2.75 0.00 0.00 6.24 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 78 R 8.58 4.62 0.00 1.79 1.74 0.00 3.14 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.86 0.00 79 V 8.51 4.14 2.01 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 0.47 0.00 0.00 0.87 0.00 0.00 80 S 8.32 4.67 0.00 3.62 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 81 Y 9.12 4.51 0.00 2.64 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 82 P 0.00 4.36 0.00 2.16 2.13 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 83 V 7.76 3.64 2.14 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 0.88 0.00 0.00 0.96 0.00 0.00 84 V 8.10 4.39 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 0.78 0.00 0.00 0.94 0.00 0.00 85 P 0.00 4.41 0.00 2.21 2.10 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 86 P 0.00 5.31 0.00 2.09 2.10 0.00 3.36 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.80 0.00 87 H 9.32 5.21 0.00 3.21 3.41 0.00 5.20 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 88 V 8.47 4.93 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 1.00 0.00 0.00 0.71 0.00 0.00 89 E 9.18 5.33 0.00 2.14 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 2.33 2.44 0.00 90 Y 9.63 5.95 0.00 2.88 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 91 S 8.50 5.11 0.00 3.90 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 92 L 8.51 4.84 0.00 1.60 1.77 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.67 4.25 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 1.35 0.00 0.00 94 P 0.00 4.25 0.00 2.21 2.18 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 95 L 8.10 4.18 0.00 1.84 1.96 1.02 1.04 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 96 G 8.34 3.73 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 0.00 0.00 0.00 97 E 8.49 4.02 0.00 2.22 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 0.00 2.36 2.61 0.00 98 Q 7.67 3.99 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 99 V 7.33 3.63 1.70 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 -0.20 0.00 0.00 0.65 0.00 0.00 100 S 7.93 4.18 0.00 3.89 4.13 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 0.00 101 D 7.66 4.37 0.00 2.93 2.67 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 *103 V 7.69 3.86 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 1.01 0.00 0.00 0.94 0.00 0.00 104 A 8.67 3.97 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 0.00 105 A 8.03 4.10 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 0.00 106 L 7.85 3.94 0.00 1.74 1.84 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.18 4.02 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 0.00 108 D 8.67 4.29 0.00 2.83 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 0.00 109 W 8.39 4.00 0.00 3.60 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 0.00 110 I 7.98 3.87 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.10 0.96 0.00 0.00 111 E 8.23 4.05 0.00 1.99 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 2.32 2.46 0.00 112 L 7.80 3.86 0.00 1.53 1.71 0.82 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 113 N 7.60 4.38 0.00 1.44 2.03 0.00 0.00 6.66 6.28 0.00 0.00 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 L 7.26 3.83 0.00 1.85 1.66 0.90 0.93 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 0.00 115 P 0.00 4.18 0.00 2.12 2.05 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 116 Q 7.87 3.97 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 117 V 7.51 3.58 2.19 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 1.05 0.00 0.00 0.98 0.00 0.00 118 L 8.15 3.98 0.00 1.70 1.69 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.10 4.15 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 0.00 120 Q 7.94 4.03 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.90 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 121 R 7.58 4.09 0.00 2.01 1.99 0.00 3.16 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 122 E 7.73 4.10 0.00 2.07 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 2.56 2.37 0.00 123 R 7.33 4.08 0.00 1.78 1.91 0.00 3.36 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 1.72 1.80 0.00 * Residues marked with a * may have inaccurate shift predictions.