NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3865 0.0000 0.0000 62.4299 32.8830 176.7648 3 T 4.0025 8.5526 114.7127 60.1842 70.9124 173.6537 4 N 4.2138 9.5221 122.0273 57.3700 39.2536 178.3161 5 Q 3.9803 8.0595 118.5898 58.9267 28.7063 178.3207 6 D 4.3260 7.9131 119.7252 57.4188 40.8702 178.5763 7 L 3.9330 7.7915 119.2363 58.3048 41.6486 179.8485 8 Q 3.9023 8.3262 120.0390 59.4200 28.6065 179.6319 9 L 3.9760 8.2576 123.4878 59.2929 40.9601 181.1998 10 A 4.1356 8.2201 122.0368 54.8365 18.3308 179.3002 11 A 3.9044 8.0355 119.3188 55.8491 18.3568 179.5334 12 H 4.1752 8.1558 114.3172 59.0481 28.8703 177.8892 13 L 4.4998 7.9905 123.3721 57.5464 42.0150 178.8278 14 R 3.8704 8.1384 118.7755 59.7031 29.9802 178.5403 15 S 4.1519 7.9885 112.7659 61.3101 62.3620 176.1312 16 Q 3.9886 8.3770 121.3301 58.9457 28.4199 179.0217 17 V 3.7059 7.9452 113.4354 64.4469 31.8011 178.7288 18 T 3.8276 7.7453 115.0260 67.0774 68.4498 176.7404 19 T 3.8538 8.0605 117.6502 66.5965 68.3610 176.5132 20 L 4.0545 7.8525 121.7883 58.3619 42.1454 179.1089 21 T 3.8638 8.1561 115.9606 66.4136 68.2947 176.6953 22 R 3.7242 7.8265 120.4530 59.2259 30.0030 178.6130 23 R 3.6549 7.7453 118.0695 59.1458 30.0845 178.3502 24 L 3.7523 7.9489 119.0065 57.8161 41.4570 179.1823 25 R 3.9391 7.6449 117.0210 59.9726 30.2042 178.3438 26 R 4.0452 7.8465 117.3087 58.9572 29.8779 178.7705 27 E 3.8882 8.0586 117.6367 58.4989 29.0981 177.8377 28 A 4.4964 7.8819 122.6070 51.9239 18.9186 177.7985 29 Q 3.7193 7.7205 116.0458 57.3962 26.2126 176.9127 30 A 4.8190 7.2869 120.1497 50.9399 21.3449 177.2935 31 D 4.8016 8.2447 120.8186 51.5543 41.9437 175.1966 32 P 4.4376 0.0000 0.0000 65.2908 30.7139 178.8159 33 V 3.6582 8.1089 119.4112 67.0081 31.5027 178.6290 34 Q 3.8354 8.0509 118.6980 59.3869 27.8279 179.8557 35 F 4.2028 8.1134 120.8360 61.6621 39.3016 176.9956 36 S 4.1547 7.6967 113.6954 61.8035 62.5388 176.3303 37 Q 3.9089 8.0955 121.6131 58.5646 28.4932 178.7644 38 L 3.7755 7.6272 120.7262 58.3057 41.8522 179.5302 39 V 3.3978 7.6292 112.5185 64.0141 31.3451 178.6140 40 V 3.5170 7.4676 117.8351 65.9944 31.2852 177.8122 41 L 4.0288 8.0668 118.9459 58.1192 41.4235 179.9814 42 G 3.4790 8.0771 105.0299 47.1961 0.0000 175.7021 43 A 3.9688 8.1852 123.3663 55.1742 18.3187 179.6503 44 I 3.6010 7.9387 118.4603 64.6720 37.1183 177.9480 45 D 4.3889 8.3415 119.0801 57.6158 40.7359 178.5164 46 R 3.9324 7.9457 118.0630 59.3109 30.2622 177.8506 47 L 4.2666 8.0496 116.0473 55.4277 41.7711 177.8405 48 G 3.8498 7.7598 108.4859 44.4073 0.0000 174.5248 49 G 3.6922 7.2909 106.1998 45.3478 0.0000 172.0675 50 D 4.3232 8.0691 114.8277 55.7378 40.0383 173.4901 51 V 4.5400 7.7459 111.9535 59.5235 35.3338 175.8727 52 T 4.9323 8.0623 114.0300 59.6514 71.3463 174.0211 53 P 4.1997 0.0000 0.0000 66.1065 31.5284 178.9875 54 S 4.2634 8.0375 112.3211 61.3324 62.8808 175.8592 55 E 3.9731 8.0205 123.0508 58.6508 29.4037 177.9979 56 L 3.8834 8.1137 120.3530 58.1636 41.8912 178.5301 57 A 3.9674 8.3739 119.7313 55.3406 18.6505 179.0384 58 A 4.0704 7.9206 118.5448 55.4875 18.2985 179.8299 59 A 4.0780 8.2305 117.7768 54.3748 18.4246 178.6130 60 E 4.5501 7.8597 115.1186 54.4281 30.5737 176.7356 61 R 3.3832 7.4409 113.1193 56.9158 27.6133 175.5668 *63 R 4.1152 7.7353 119.2861 55.8657 32.7102 176.0084 64 S 4.2125 8.4914 116.6000 61.0888 62.3581 176.5016 65 S 4.2447 8.2008 118.6121 62.2584 62.8617 176.4968 66 N 4.4549 8.2137 122.5085 56.7987 37.6888 179.1033 67 L 3.9938 8.0245 122.2658 58.1987 42.3126 178.8731 68 A 3.9165 8.6047 120.3558 55.7665 18.2467 179.5044 69 A 3.9873 8.1485 118.3657 55.2224 18.3705 179.8486 70 L 4.1153 7.9213 116.9466 57.5245 41.6970 179.2671 71 L 4.1835 7.8868 121.2062 57.7001 41.7857 179.6387 72 R 3.9146 7.9863 120.6807 61.8061 29.4393 180.8405 73 E 4.1667 8.5665 119.6103 59.5019 29.5360 179.7689 74 L 4.1424 7.8372 120.8201 58.1706 41.5922 179.7758 75 E 4.2761 8.5429 117.4798 60.3825 29.9610 181.6126 76 R 4.3527 7.8868 116.7886 59.8131 30.0760 179.0675 77 G 3.8289 7.6068 103.6184 46.2393 0.0000 174.4545 78 G 3.9627 7.4669 107.1310 45.3728 0.0000 173.9642 79 L 4.6026 8.0269 120.2900 55.5413 42.8795 176.5468 80 I 4.9830 7.5083 110.9724 59.0280 41.1005 174.7381 81 V 4.0973 9.0458 127.5046 62.3791 32.9189 175.2497 82 R 5.0851 8.4549 128.5454 55.5505 31.1219 171.4329 83 H 5.2075 9.0282 120.7863 52.4926 33.4292 173.1573 84 A 4.2515 8.6979 122.5505 52.3770 18.9725 176.5249 85 D 4.6615 9.6245 121.8641 51.7294 42.5139 175.8610 86 P 4.3848 0.0000 0.0000 62.9642 29.6864 175.2760 *91 R 4.2910 7.4127 119.1655 57.2004 32.3228 177.0727 92 T 4.7379 8.2114 110.8897 63.3475 72.5811 173.4413 93 R 4.9168 9.7946 125.7938 54.4888 33.5483 174.2872 94 V 4.9678 8.9046 125.7455 61.3325 34.3529 174.4783 95 S 5.1215 8.8201 122.6011 56.2328 67.2990 173.5650 96 L 4.6389 8.5131 121.1266 55.1155 42.4231 177.1490 97 S 4.5671 8.4768 116.9084 57.2420 65.3650 175.2650 98 S 4.1072 8.7725 115.5432 61.8681 62.3862 176.8963 99 E 4.0809 8.1913 119.8583 59.1289 29.4769 178.9539 100 G 3.7272 8.1299 106.7863 47.7963 0.0000 175.5574 101 R 4.0787 8.2787 121.4529 59.2573 30.0365 178.8539 102 R 4.0160 8.4009 118.2595 59.0046 29.9198 178.5372 103 N 4.2741 8.6649 117.4218 56.5513 39.1427 176.5359 104 L 3.8559 8.2074 121.8397 58.6852 42.2528 178.7467 105 Y 4.1083 8.4244 116.5738 60.7314 37.8581 178.4851 106 G 3.6807 8.5813 107.2383 47.3900 0.0000 175.4347 107 N 4.2818 8.5816 119.7387 56.7425 38.9967 176.8662 108 R 3.9153 7.8132 119.0123 59.4726 30.2144 178.7229 109 A 4.0268 8.0306 120.1029 55.1290 18.3399 179.6508 110 K 3.9077 7.9736 116.6361 59.8870 32.1210 179.7218 111 R 4.0754 8.1148 118.0184 59.4914 29.9312 179.0649 112 E 4.0380 8.6071 118.5990 59.2521 29.2584 179.3039 113 E 3.9446 8.7074 119.1047 59.1336 29.5337 178.7745 114 W 4.1893 8.3726 128.4225 60.7418 30.5147 177.6643 115 L 3.3899 8.1249 118.6366 58.0508 41.5848 178.8107 116 V 3.6799 7.8386 117.5550 65.8539 31.7129 177.9975 117 R 4.0225 7.4749 117.9742 58.7735 29.8758 179.0023 118 A 3.5504 7.1957 116.9540 53.2267 17.6658 178.6994 *120 H 4.4374 8.1583 118.1277 56.9610 30.9101 175.1511 121 A 4.0822 7.8835 121.8270 55.3411 18.2710 178.5732 122 C 4.3876 7.8368 110.8942 60.8868 28.7547 174.0961 123 L 4.9420 7.4267 118.0478 52.1279 45.3759 175.9270 124 D 4.8395 8.7647 124.5032 52.4883 42.7506 177.8937 125 E 3.9640 8.5845 117.7581 61.3229 29.4088 176.1323 126 S 4.2653 8.0904 113.0246 61.7568 62.4860 176.2455 127 E 4.0450 8.7676 121.2032 59.1302 29.0487 179.6771 128 R 3.8712 8.1000 118.2788 58.9098 30.0599 178.4870 129 A 4.1288 8.2196 120.9600 55.3345 18.3018 179.3029 130 L 3.9117 7.8633 117.0816 58.2967 41.7379 180.0754 131 L 3.9648 8.1040 118.2365 57.7091 41.3405 179.1862 132 A 3.9608 8.5713 120.4623 55.3797 18.2898 179.2950 133 A 4.0763 8.1034 118.3010 55.1747 18.7468 179.4450 134 A 4.1968 8.5387 119.9364 54.7905 18.3971 179.8595 135 G 3.7019 8.2549 104.5808 47.8444 0.0000 174.1240 136 P 4.3249 0.0000 0.0000 64.5056 31.3189 178.4130 137 L 4.1564 8.2318 118.3809 57.0980 41.4975 179.2173 138 L 4.0353 8.0343 119.7234 58.0001 41.4070 179.5212 139 T 3.8975 7.7265 115.2823 66.4379 68.2442 176.5325 140 R 3.9230 7.6387 119.4858 59.4589 30.4667 178.0047 141 L 4.1336 8.0148 118.4743 58.0833 41.4641 179.4282 142 A 4.1055 8.0055 119.0092 54.8160 18.3094 178.6642 143 Q 4.4211 7.5366 113.7954 54.6829 29.4056 175.7713 144 F 4.3446 7.7270 124.0218 58.3867 39.9958 174.8622 145 E 3.7955 7.6856 126.0160 56.8294 30.1858 174.9329 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 P 0.00 4.39 0.00 2.04 2.05 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.07 0.00 3 T 8.55 4.00 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 4 N 9.52 4.21 0.00 2.84 2.86 0.00 0.00 6.98 7.34 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 5 Q 8.06 3.98 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.65 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 6 D 7.91 4.33 0.00 2.95 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 7 L 7.79 3.93 0.00 1.90 1.71 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.33 3.90 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 9 L 8.26 3.98 0.00 1.63 1.67 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.22 4.14 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.04 3.90 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 12 H 8.16 4.18 0.00 3.19 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.99 4.50 0.00 1.87 1.69 0.93 0.53 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 14 R 8.14 3.87 0.00 1.96 2.08 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 15 S 7.99 4.15 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.38 3.99 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 17 V 7.95 3.71 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 0.99 0.00 0.00 18 T 7.75 3.83 4.53 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 1.18 0.00 0.00 19 T 8.06 3.85 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 1.20 0.00 0.00 20 L 7.85 4.05 0.00 1.81 1.69 1.13 1.14 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 21 T 8.16 3.86 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 1.18 0.00 0.00 22 R 7.83 3.72 0.00 1.80 2.10 0.00 3.02 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 23 R 7.75 3.65 0.00 1.86 1.90 0.00 2.90 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.81 0.00 24 L 7.95 3.75 0.00 1.91 1.73 1.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.64 3.94 0.00 1.86 2.00 0.00 2.78 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 26 R 7.85 4.05 0.00 1.76 1.86 0.00 3.09 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 27 E 8.06 3.89 0.00 1.75 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 1.74 1.47 0.00 28 A 7.88 4.50 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 29 Q 7.72 3.72 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 30 A 7.29 4.82 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 31 D 8.24 4.80 0.00 2.79 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 32 P 0.00 4.44 0.00 2.18 2.09 0.00 3.61 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 2.08 2.08 0.00 33 V 8.11 3.66 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 1.04 0.00 0.00 0.94 0.00 0.00 34 Q 8.05 3.84 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 35 F 8.11 4.20 0.00 3.28 3.18 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 36 S 7.70 4.15 0.00 3.95 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 0.00 37 Q 8.10 3.91 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 38 L 7.63 3.78 0.00 1.72 1.35 0.83 0.80 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 39 V 7.63 3.40 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 0.36 0.00 0.00 0.97 0.00 0.00 40 V 7.47 3.52 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 1.10 0.00 0.00 0.95 0.00 0.00 41 L 8.07 4.03 0.00 1.96 1.66 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.08 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 0.00 0.00 0.00 43 A 8.19 3.97 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 44 I 7.94 3.60 1.99 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 1.40 1.38 0.92 0.00 0.00 45 D 8.34 4.39 0.00 2.83 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 46 R 7.95 3.93 0.00 1.92 2.16 0.00 3.31 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 47 L 8.05 4.27 0.00 1.63 1.70 0.92 0.89 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 48 G 7.76 3.85 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 0.00 0.00 0.00 49 G 7.29 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 50 D 8.07 4.32 0.00 2.74 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 51 V 7.75 4.54 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 0.86 0.00 0.00 0.96 0.00 0.00 52 T 8.06 4.93 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 1.26 0.00 0.00 53 P 0.00 4.20 0.00 2.17 2.16 0.00 3.66 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 2.12 2.19 0.00 54 S 8.04 4.26 0.00 4.04 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 0.00 55 E 8.02 3.97 0.00 2.02 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 0.00 2.30 2.31 0.00 56 L 8.11 3.88 0.00 1.92 1.72 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.37 3.97 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 58 A 7.92 4.07 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 59 A 8.23 4.08 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 60 E 7.86 4.55 0.00 2.03 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 2.38 2.46 0.00 61 R 7.44 3.38 0.00 1.90 1.91 0.00 3.20 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 *63 R 7.74 4.12 0.00 1.88 1.89 0.00 3.12 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 64 S 8.49 4.21 0.00 3.89 3.85 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 65 S 8.20 4.24 0.00 4.06 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 66 N 8.21 4.45 0.00 2.75 2.83 0.00 0.00 6.50 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 67 L 8.02 3.99 0.00 1.76 1.88 0.91 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.60 3.92 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 69 A 8.15 3.99 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 70 L 7.92 4.12 0.00 1.88 1.72 0.92 0.67 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 71 L 7.89 4.18 0.00 1.82 1.69 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.99 3.91 0.00 1.83 1.95 0.00 3.29 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 73 E 8.57 4.17 0.00 2.11 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 2.33 2.52 0.00 74 L 7.84 4.14 0.00 1.86 1.69 0.90 1.44 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 75 E 8.54 4.28 0.00 2.02 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 2.26 2.22 0.00 76 R 7.89 4.35 0.00 2.21 1.99 0.00 3.23 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 1.51 0.00 77 G 7.61 3.83 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 0.00 0.00 0.00 78 G 7.47 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 0.00 0.00 0.00 79 L 8.03 4.60 0.00 1.76 1.71 0.91 0.47 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 80 I 7.51 4.98 1.94 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 1.21 0.63 0.90 0.00 0.00 81 V 9.05 4.10 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 0.76 0.00 0.00 0.91 0.00 0.00 82 R 8.45 5.09 0.00 1.61 1.69 0.00 3.26 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 83 H 9.03 5.21 0.00 3.03 3.13 0.00 5.59 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 84 A 8.70 4.25 1.23 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 0.00 0.00 85 D 9.62 4.66 0.00 2.69 2.62 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 0.00 0.00 0.00 0.00 86 P 0.00 4.38 0.00 2.08 2.02 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 *91 R 7.41 4.29 0.00 1.53 1.89 0.00 3.19 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.24 0.00 92 T 8.21 4.74 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 1.29 0.00 0.00 93 R 9.79 4.92 0.00 1.74 1.74 0.00 3.08 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 94 V 8.90 4.97 2.21 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 0.92 0.00 0.00 0.92 0.00 0.00 95 S 8.82 5.12 0.00 3.77 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 96 L 8.51 4.64 0.00 1.55 1.63 1.01 0.91 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 97 S 8.48 4.57 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.77 4.11 0.00 3.88 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 99 E 8.19 4.08 0.00 2.20 2.21 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 2.55 2.38 0.00 100 G 8.13 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 0.00 101 R 8.28 4.08 0.00 2.01 2.11 0.00 2.98 0.00 0.00 2.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.71 0.00 102 R 8.40 4.02 0.00 2.04 1.99 0.00 3.19 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 103 N 8.66 4.27 0.00 2.89 2.96 0.00 0.00 6.78 6.49 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 0.00 104 L 8.21 3.86 0.00 1.83 1.72 0.76 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 8.42 4.11 0.00 3.27 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 0.00 106 G 8.58 3.68 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 0.00 0.00 0.00 107 N 8.58 4.28 0.00 2.82 2.97 0.00 0.00 7.10 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 0.00 108 R 7.81 3.92 0.00 2.04 1.96 0.00 2.80 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 109 A 8.03 4.03 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 0.00 110 K 7.97 3.91 0.00 2.15 1.94 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.53 7.81 111 R 8.11 4.08 0.00 2.12 2.09 0.00 3.18 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.89 0.00 112 E 8.61 4.04 0.00 2.24 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 2.37 2.45 0.00 113 E 8.71 3.94 0.00 2.32 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 0.00 2.36 2.39 0.00 114 W 8.37 4.19 0.00 3.50 3.52 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 0.00 115 L 8.12 3.39 0.00 2.01 1.85 0.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.84 3.68 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 0.84 0.00 0.00 0.92 0.00 0.00 117 R 7.47 4.02 0.00 1.74 1.79 0.00 3.16 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 118 A 7.20 3.55 0.34 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 *120 H 8.16 4.44 0.00 3.12 3.42 0.00 5.90 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.88 4.08 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 122 C 7.84 4.39 0.00 3.03 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 0.00 123 L 7.43 4.94 0.00 1.47 1.44 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.76 4.84 0.00 2.93 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 0.00 125 E 8.58 3.96 0.00 1.99 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 2.32 1.95 0.00 126 S 8.09 4.27 0.00 3.84 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 0.00 127 E 8.77 4.04 0.00 2.01 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 2.31 2.33 0.00 128 R 8.10 3.87 0.00 1.98 1.94 0.00 3.05 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 129 A 8.22 4.13 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 0.00 130 L 7.86 3.91 0.00 1.92 1.75 0.91 0.44 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 0.00 131 L 8.10 3.96 0.00 1.81 1.71 0.91 0.59 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 0.00 132 A 8.57 3.96 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 0.00 133 A 8.10 4.08 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 0.00 134 A 8.54 4.20 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 0.00 135 G 8.25 3.70 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 0.00 0.00 0.00 136 P 0.00 4.32 0.00 2.18 2.13 0.00 3.70 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 2.12 2.19 0.00 137 L 8.23 4.16 0.00 1.78 1.71 0.92 0.43 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 0.00 138 L 8.03 4.04 0.00 1.83 1.73 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 139 T 7.73 3.90 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 1.23 0.00 0.00 140 R 7.64 3.92 0.00 1.86 2.12 0.00 3.31 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 1.69 1.73 0.00 141 L 8.01 4.13 0.00 1.93 1.72 0.90 0.46 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 0.00 142 A 8.01 4.11 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 0.00 143 Q 7.54 4.42 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 144 F 7.73 4.34 0.00 2.98 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 0.00 145 E 7.69 3.80 0.00 1.78 1.58 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 2.13 2.18 0.00 * Residues marked with a * may have inaccurate shift predictions.