NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Y 4.7578 8.1293 118.3351 56.8452 39.3541 174.6385 4 P 4.1882 0.0000 0.0000 62.0146 31.8510 170.7698 5 V 3.8586 8.3524 121.6007 61.8731 33.4164 176.1888 6 N 4.4347 8.6864 125.6468 52.9446 39.0335 173.3906 7 P 4.2470 0.0000 0.0000 65.8652 31.7032 177.0656 8 D 4.5820 8.5072 115.9102 55.0401 41.2362 177.7032 9 L 3.9345 7.9407 119.5997 55.7156 41.6672 176.3689 *11 P 4.2936 0.0000 0.0000 62.4045 33.4944 177.6060 12 A 4.1658 8.0246 120.8842 55.4998 18.4653 180.4329 13 L 3.9122 8.1335 111.9550 55.7946 41.4408 179.0600 *15 A 4.2435 8.1371 123.3827 52.3373 20.4792 180.0580 16 V 3.6694 7.7323 114.8716 66.0163 31.3655 178.0484 17 F 4.5495 8.3219 120.4136 61.5603 39.2428 176.7626 18 Q 3.7319 8.2127 118.7374 59.4331 28.7171 177.7526 19 H 4.0832 8.1896 118.9428 59.2443 29.9391 177.4669 20 V 3.4171 7.7881 120.0154 65.8108 31.2887 177.6545 21 R 3.7718 8.0789 118.6251 59.9992 29.8782 178.4484 22 T 3.7919 8.0249 115.4460 66.7281 68.5617 176.8118 23 R 3.8589 7.9827 119.8611 59.3063 30.0778 179.2505 24 I 3.7210 8.1762 119.9687 64.3316 36.9374 178.2044 25 Q 3.9165 8.2920 119.2131 59.1084 28.7325 178.6836 26 S 4.0511 8.0632 113.7677 61.9021 62.0633 176.2924 27 E 4.0025 8.0820 120.8392 58.9743 29.2591 178.6485 28 L 4.0315 7.8886 119.3050 57.5182 41.6259 178.9124 29 D 4.3707 8.1126 118.9654 57.1451 40.5530 178.4719 30 C 4.1477 7.7434 116.3036 62.8276 28.2512 175.3563 31 Q 4.2540 7.5560 115.7052 54.8218 29.1363 175.7710 32 R 3.8081 7.7497 119.4608 57.4041 28.8392 176.4617 33 L 4.2645 8.1603 116.1830 54.7317 42.7564 177.0764 34 D 4.4350 8.0279 116.9793 55.4203 38.4570 173.1315 35 L 4.8892 7.7574 115.4613 53.0661 45.7074 176.3566 36 T 5.0412 9.0497 110.7108 58.1767 71.3760 173.4974 37 P 4.2129 0.0000 0.0000 66.3160 30.8273 176.8166 38 P 4.4140 0.0000 0.0000 64.9923 31.2356 178.3524 39 D 4.3664 8.3799 118.7059 57.2863 40.6282 178.8310 40 V 3.6261 7.7627 118.3411 66.1416 31.5876 177.2069 41 H 4.1711 8.1910 118.0980 59.3391 29.6397 177.3332 42 V 3.5121 7.7561 119.8180 66.0015 31.3556 177.9316 43 L 3.9022 7.8323 118.6802 57.5561 41.3684 179.2168 44 K 3.5882 8.1435 119.7124 59.6112 32.1481 178.5663 45 L 3.9488 7.8201 118.9268 58.0623 41.3475 179.7278 46 I 3.6230 7.4507 118.3865 64.2260 37.0324 177.7801 47 D 4.4448 7.9740 118.2075 57.4211 41.1884 177.8881 48 E 4.1900 8.2810 118.1971 57.7434 29.6588 177.2756 49 Q 4.4040 7.4727 118.0738 54.0070 28.7424 175.4824 50 R 3.9207 8.5291 123.9595 57.0770 30.7626 176.3544 51 G 3.7327 8.3238 112.5143 46.0836 0.0000 173.4667 52 L 4.0348 6.7495 118.3691 54.8278 42.7792 175.4928 53 N 5.2563 8.0886 119.6993 50.0258 41.8573 175.3121 54 L 3.8615 8.3971 121.4111 58.2918 41.7293 179.3399 55 Q 3.9248 8.1846 118.4883 59.7275 28.8917 178.2406 56 D 4.3410 8.1255 119.4561 57.1673 40.6296 178.6094 57 L 3.9950 7.9862 120.2760 58.1327 42.4049 178.9599 58 G 3.7426 8.4942 106.0260 47.7408 0.0000 175.3779 59 R 3.9110 7.8601 120.0952 59.1635 30.3835 181.3223 60 Q 4.2439 7.9277 117.8180 55.4822 28.8038 176.5418 *62 C 4.4256 8.0172 113.8893 59.9144 29.7933 174.0795 63 R 4.7107 7.7698 116.8771 53.9489 33.2441 175.7330 64 D 4.6094 8.3225 118.4612 53.4183 43.2225 177.0335 65 K 3.8234 8.7406 125.9305 59.8719 32.1196 178.6971 66 A 3.9776 8.2342 119.9748 55.3569 18.1867 179.3575 67 L 3.8703 8.2786 116.7251 58.1180 41.8543 179.5905 68 I 3.6460 7.6712 118.2724 64.5421 37.7319 177.9978 69 T 3.8660 8.2010 116.6997 66.6630 68.2287 176.8303 70 R 3.8993 7.9915 119.9941 58.9652 29.9802 178.9268 71 K 3.8782 8.3434 119.6979 59.7907 32.2276 178.8659 72 I 3.7065 8.2423 120.2749 64.5115 36.9906 178.7384 73 R 4.1516 8.2515 119.0451 58.9712 29.8753 178.6412 74 E 3.8734 8.3157 119.3214 59.4560 29.7502 178.8465 75 L 4.0237 8.2317 119.2386 57.8741 41.6374 179.5711 76 E 4.3357 8.1941 120.4236 58.8257 29.2040 179.3013 77 G 3.8665 8.3226 105.3233 47.6604 0.0000 174.7549 78 R 4.3759 7.6505 115.5367 54.8949 30.1708 175.6741 79 N 4.1870 8.3329 116.0111 55.4565 38.0032 174.5627 80 L 4.6446 8.0562 117.1732 55.0604 43.8634 177.2454 81 V 5.1596 7.5762 117.2467 61.4755 35.7566 173.9745 82 R 4.7491 8.8514 118.8570 55.2068 32.9674 173.7868 83 R 5.8863 8.6013 119.4702 54.1857 32.6468 175.0300 84 E 4.7064 8.7337 120.8284 54.1702 34.9035 174.4140 85 R 3.0921 7.9987 119.5975 56.5180 29.3571 176.4200 *93 F 4.6125 8.1445 120.5395 57.3323 40.3696 174.7478 94 Q 4.9652 9.1239 122.0108 54.2522 32.2627 174.3909 95 L 5.0860 8.8740 122.1569 53.8321 43.2155 176.3663 96 F 4.8636 9.1058 120.5640 55.7724 43.9017 173.8019 97 L 4.9203 8.7022 121.1272 54.7449 42.7839 176.9455 98 T 4.3701 8.3478 113.3184 60.5234 71.1281 175.1697 99 D 4.3500 8.8327 119.8101 57.7887 40.9097 178.0133 100 E 4.1065 8.2205 118.5465 59.3186 29.5361 179.3462 101 G 3.6354 8.1201 105.8692 47.6137 0.0000 175.4251 102 L 4.0006 8.3718 122.8845 57.8852 42.0770 179.0383 103 A 3.9649 7.8442 120.2624 55.1721 18.3216 179.4166 104 I 3.6329 8.0941 117.5627 64.5015 38.0971 177.4542 105 H 4.1790 8.6865 119.5396 59.4897 29.5391 177.0112 106 Q 3.8998 8.1207 121.2990 59.3051 28.6981 177.6794 107 H 4.2039 8.4544 119.3877 59.1514 29.6811 177.1869 108 A 4.0077 8.0628 121.9048 55.1448 18.2684 179.1832 109 E 4.0386 8.1081 116.1830 59.3163 29.9089 179.0082 110 A 4.2118 7.8373 120.9178 55.1224 18.2851 180.0257 111 I 3.7004 7.2575 114.0581 62.6380 36.9084 177.8121 *113 S 4.3617 8.2012 117.3847 58.3428 63.6826 175.8367 114 R 4.1651 7.7488 115.6991 58.1175 29.1951 178.7315 115 V 3.6036 7.5853 119.7318 66.2894 31.4808 177.6013 116 H 3.8784 8.1363 115.4756 58.6273 28.5859 177.3700 117 D 4.4666 7.9959 120.8428 57.3870 40.4938 178.6810 118 E 4.0372 7.7441 116.7070 59.0406 29.6355 178.5686 119 L 3.9617 7.2533 121.0492 57.2551 42.2916 177.8942 120 F 4.9629 7.7296 116.5543 58.6495 39.5228 177.7031 121 A 4.0578 8.0293 120.0034 54.7133 18.1478 176.9274 122 P 4.3843 0.0000 0.0000 64.3962 31.8775 176.6415 123 L 4.5146 7.7512 119.1164 53.8297 42.5739 177.5413 124 T 4.1090 8.8699 113.5826 61.0300 70.6549 173.8130 125 P 4.2095 0.0000 0.0000 65.9517 31.3288 179.1420 126 V 3.5511 7.7059 116.2895 66.0569 31.5380 177.6828 127 E 3.9474 8.2153 118.2699 59.5270 29.2056 179.4343 128 Q 3.8766 8.4530 118.1236 58.9356 28.8503 178.6793 129 A 3.9475 8.2003 121.9668 55.5341 18.3781 179.8850 130 T 3.8689 8.1615 114.4093 66.3409 68.4081 176.8283 131 L 3.8525 7.9963 122.3622 58.1368 42.1828 178.8970 132 V 3.4800 7.8692 118.4870 66.3871 31.2747 177.3652 133 H 4.0818 8.0752 117.3420 59.4672 29.5742 177.1934 134 L 3.9145 8.1653 119.6306 57.6382 41.5343 179.3802 135 L 4.1128 8.2306 119.3254 58.0393 41.4913 179.3282 136 D 4.3664 8.1663 118.6767 57.3590 40.4335 178.8486 137 Q 3.9685 7.9108 118.1947 59.0773 28.7065 178.2038 138 C 4.2428 7.6694 116.9344 62.3476 28.2460 173.8463 139 L 4.2379 7.4317 123.7746 54.8331 41.3777 176.3099 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 3 Y 8.13 4.76 0.00 3.01 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 4 P 0.00 4.19 0.00 2.29 2.10 0.00 3.96 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 2.05 2.07 0.00 5 V 8.35 3.86 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 0.80 0.00 0.00 0.96 0.00 0.00 6 N 8.69 4.43 0.00 2.76 2.70 0.00 0.00 7.20 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 7 P 0.00 4.25 0.00 2.08 2.13 0.00 3.73 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 2.04 2.14 0.00 8 D 8.51 4.58 0.00 2.92 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 9 L 7.94 3.93 0.00 1.81 1.70 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 *11 P 0.00 4.29 0.00 2.12 2.14 0.00 3.84 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 12 A 8.02 4.17 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 13 L 8.13 3.91 0.00 1.87 1.73 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 *15 A 8.14 4.24 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 16 V 7.73 3.67 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 1.06 0.00 0.00 1.00 0.00 0.00 17 F 8.32 4.55 0.00 3.08 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 18 Q 8.21 3.73 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.68 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 19 H 8.19 4.08 0.00 3.32 3.50 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.79 3.42 2.34 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 0.89 0.00 0.00 0.89 0.00 0.00 21 R 8.08 3.77 0.00 1.62 1.88 0.00 3.21 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 22 T 8.02 3.79 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 1.17 0.00 0.00 23 R 7.98 3.86 0.00 1.90 1.87 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 1.43 1.37 0.00 24 I 8.18 3.72 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.96 0.91 0.00 0.00 25 Q 8.29 3.92 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 26 S 8.06 4.05 0.00 3.86 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 27 E 8.08 4.00 0.00 2.30 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 0.00 2.30 2.39 0.00 28 L 7.89 4.03 0.00 1.91 1.67 0.95 0.93 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 29 D 8.11 4.37 0.00 2.83 2.69 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 30 C 7.74 4.15 0.00 3.12 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 31 Q 7.56 4.25 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.71 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 32 R 7.75 3.81 0.00 1.87 1.93 0.00 3.30 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 33 L 8.16 4.26 0.00 1.71 1.66 0.71 0.80 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 34 D 8.03 4.43 0.00 2.78 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 35 L 7.76 4.89 0.00 1.57 1.52 0.93 0.90 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 36 T 9.05 5.04 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 37 P 0.00 4.21 0.00 2.29 2.39 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 2.05 2.05 0.00 38 P 0.00 4.41 0.00 2.20 2.17 0.00 3.55 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 2.11 2.20 0.00 39 D 8.38 4.37 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.76 3.63 2.27 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 1.20 0.00 0.00 0.95 0.00 0.00 41 H 8.19 4.17 0.00 3.43 3.48 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.76 3.51 2.27 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 0.95 0.00 0.00 1.00 0.00 0.00 43 L 7.83 3.90 0.00 1.82 1.63 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.14 3.59 0.00 1.94 2.03 0.00 1.91 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.57 7.81 45 L 7.82 3.95 0.00 1.84 1.66 0.77 1.01 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 46 I 7.45 3.62 1.94 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 1.32 0.62 0.83 0.00 0.00 47 D 7.97 4.44 0.00 2.68 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 48 E 8.28 4.19 0.00 1.96 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 2.36 2.56 0.00 49 Q 7.47 4.40 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 50 R 8.53 3.92 0.00 1.90 1.82 0.00 3.47 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.85 0.00 51 G 8.32 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 52 L 6.75 4.03 0.00 1.58 1.37 0.90 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.09 5.26 0.00 3.06 2.84 0.00 0.00 6.01 6.67 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 54 L 8.40 3.86 0.00 1.71 1.79 0.91 0.76 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 55 Q 8.18 3.92 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 56 D 8.13 4.34 0.00 2.80 2.68 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 0.00 0.00 0.00 0.00 57 L 7.99 4.00 0.00 1.83 1.75 0.89 1.25 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 58 G 8.49 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 59 R 7.86 3.91 0.00 1.81 2.16 0.00 3.27 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 60 Q 7.93 4.24 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 *62 C 8.02 4.43 0.00 3.01 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 63 R 7.77 4.71 0.00 1.76 1.79 0.00 3.32 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 64 D 8.32 4.61 0.00 2.71 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 65 K 8.74 3.82 0.00 1.79 1.88 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.49 7.81 66 A 8.23 3.98 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 67 L 8.28 3.87 0.00 1.98 1.73 1.04 0.52 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 68 I 7.67 3.65 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.98 0.99 0.00 0.00 69 T 8.20 3.87 4.43 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 1.20 0.00 0.00 70 R 7.99 3.90 0.00 2.05 1.97 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 71 K 8.34 3.88 0.00 1.91 1.94 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.53 7.81 72 I 8.24 3.71 1.87 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 1.67 0.71 0.96 0.00 0.00 73 R 8.25 4.15 0.00 1.99 1.97 0.00 3.12 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 74 E 8.32 3.87 0.00 2.13 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 0.00 2.31 2.35 0.00 75 L 8.23 4.02 0.00 1.71 1.72 0.92 1.00 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 76 E 8.19 4.34 0.00 2.21 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 0.00 2.53 2.34 0.00 77 G 8.32 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 78 R 7.65 4.38 0.00 2.02 2.03 0.00 3.23 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.63 0.00 79 N 8.33 4.19 0.00 2.81 2.91 0.00 0.00 6.97 7.62 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 80 L 8.06 4.64 0.00 1.79 1.69 0.93 0.65 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 81 V 7.58 5.16 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 1.11 0.00 0.00 0.94 0.00 0.00 82 R 8.85 4.75 0.00 1.98 2.01 0.00 2.82 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 83 R 8.60 5.89 0.00 1.84 2.16 0.00 3.26 0.00 0.00 3.92 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 84 E 8.73 4.71 0.00 1.77 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 2.36 2.17 0.00 85 R 8.00 3.09 0.00 1.53 1.67 0.00 2.44 0.00 0.00 3.10 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.42 0.00 *93 F 8.14 4.61 0.00 2.96 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 94 Q 9.12 4.97 0.00 2.22 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 95 L 8.87 5.09 0.00 1.37 1.50 0.88 0.74 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 96 F 9.11 4.86 0.00 3.00 2.90 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 97 L 8.70 4.92 0.00 1.58 1.65 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.35 4.37 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 1.25 0.00 0.00 99 D 8.83 4.35 0.00 2.82 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 0.00 100 E 8.22 4.11 0.00 2.26 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 0.00 101 G 8.12 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 0.00 102 L 8.37 4.00 0.00 1.98 1.80 0.98 1.17 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 0.00 103 A 7.84 3.96 1.34 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 0.00 104 I 8.09 3.63 1.90 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 1.42 1.44 1.02 0.00 0.00 105 H 8.69 4.18 0.00 3.27 3.50 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.12 3.90 0.00 2.40 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 107 H 8.45 4.20 0.00 3.33 3.41 0.00 5.66 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 0.00 108 A 8.06 4.01 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 0.00 109 E 8.11 4.04 0.00 1.90 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 2.33 2.26 0.00 110 A 7.84 4.21 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 0.00 111 I 7.26 3.70 2.07 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 1.21 1.67 0.91 0.00 0.00 *113 S 8.20 4.36 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 0.00 114 R 7.75 4.17 0.00 2.13 2.17 0.00 2.82 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.63 0.00 115 V 7.59 3.60 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 0.94 0.00 0.00 0.95 0.00 0.00 116 H 8.14 3.88 0.00 3.27 3.40 0.00 5.87 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 0.00 117 D 8.00 4.47 0.00 2.99 2.75 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 0.00 118 E 7.74 4.04 0.00 2.05 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 2.43 2.26 0.00 119 L 7.25 3.96 0.00 1.31 1.30 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 120 F 7.73 4.96 0.00 3.12 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 0.00 121 A 8.03 4.06 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 0.00 122 P 0.00 4.38 0.00 2.08 2.13 0.00 3.87 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 123 L 7.75 4.51 0.00 1.94 1.62 0.99 0.89 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 0.00 124 T 8.87 4.11 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 1.22 0.00 0.00 125 P 0.00 4.21 0.00 2.17 2.15 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 126 V 7.71 3.55 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 1.13 0.00 0.00 0.92 0.00 0.00 127 E 8.22 3.95 0.00 2.33 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 2.33 2.36 0.00 128 Q 8.45 3.88 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 129 A 8.20 3.95 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 0.00 130 T 8.16 3.87 4.35 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 1.21 0.00 0.00 131 L 8.00 3.85 0.00 1.93 1.62 0.89 0.73 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 0.00 132 V 7.87 3.48 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 0.89 0.00 0.00 0.85 0.00 0.00 133 H 8.08 4.08 0.00 3.23 3.44 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.17 3.91 0.00 1.60 1.71 0.92 1.06 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 0.00 135 L 8.23 4.11 0.00 1.85 1.68 0.88 0.95 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 0.00 136 D 8.17 4.37 0.00 2.78 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 0.00 137 Q 7.91 3.97 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 138 C 7.67 4.24 0.00 3.07 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 0.00 139 L 7.43 4.24 0.00 1.56 1.55 0.90 1.09 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 * Residues marked with a * may have inaccurate shift predictions.