NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4724 8.1633 120.6110 55.4812 34.1764 173.6763 2 N 5.3235 8.9650 123.3982 50.8093 41.1984 168.7560 3 V 4.7869 9.0440 123.2021 61.1197 35.4976 173.5007 4 L 4.6006 8.4255 131.0622 53.6419 43.2541 175.3442 5 V 4.1636 8.3134 127.2164 61.5258 33.0182 175.6380 6 I 4.8988 7.6506 125.8049 60.2642 36.2268 173.9465 7 E 4.7118 8.0178 122.5312 54.4795 32.5290 174.7282 8 D 4.8444 8.4152 119.4409 52.9808 40.6695 176.6451 9 D 4.6015 8.1822 121.0803 53.3981 39.6197 177.0583 10 K 4.4270 7.8145 126.3394 58.4182 33.8374 178.1505 11 V 3.7264 7.8914 118.2280 65.6719 31.5987 177.3756 12 F 4.4062 8.9421 120.6579 61.5090 39.2825 176.7785 13 R 3.7013 8.1117 118.2548 59.4805 29.6689 178.4995 14 G 3.5576 7.6608 105.0783 47.3172 0.0000 175.0619 15 L 3.9521 8.5808 124.1240 58.0675 42.0405 178.5857 16 L 4.0924 7.7619 118.5558 58.0334 41.0655 179.0941 17 E 3.9119 8.0529 117.8699 59.7417 29.3464 179.2305 18 E 3.9560 8.1298 117.4780 60.3549 29.9540 177.5851 19 Y 4.0886 9.1154 120.7077 59.8526 38.5633 177.7185 20 L 3.7332 8.7210 120.4526 58.1895 42.2085 180.2132 21 S 4.2530 7.9122 114.8188 61.6019 62.5178 176.1698 22 M 3.9170 7.9564 120.7251 58.4258 31.8336 178.1577 23 K 3.9376 7.6136 117.7862 60.3794 32.7670 176.9708 24 G 4.0815 7.0876 106.3238 46.3970 0.0000 173.6588 25 I 4.5034 7.2576 119.8346 58.7141 40.0174 176.8167 26 K 4.1690 8.8170 127.0546 56.6997 32.6717 176.4951 27 V 5.0812 8.3982 118.2809 59.7561 34.8948 175.3653 28 E 4.7973 8.8511 122.2656 55.2324 34.0423 175.1449 29 S 5.4661 8.6419 118.8100 56.5400 66.2388 172.8676 30 A 4.3193 7.8914 117.2495 51.6441 21.0419 176.5762 31 E 4.1138 9.3154 123.3275 59.0145 30.1322 177.6935 32 R 4.8485 7.5958 115.4194 53.3133 35.2143 176.4286 33 G 3.9045 8.8771 105.8448 48.1220 0.0000 176.1155 34 K 3.9364 7.7444 119.8331 59.5574 32.2665 179.1888 35 E 3.9343 8.3018 118.0107 59.6326 29.2446 178.8166 36 A 3.9782 7.9810 120.9831 54.9634 18.3216 178.9455 37 Y 3.9427 8.7089 115.6641 61.1068 38.1840 179.0482 38 K 4.0945 8.4715 121.0241 59.3402 32.4015 178.6094 39 L 4.0957 8.0928 118.9119 58.0889 41.8296 179.2179 40 L 4.6244 8.5958 115.6398 55.9051 41.6224 177.1914 41 S 4.9661 8.4603 112.9072 58.0057 62.7465 173.0309 42 E 4.5164 8.3451 115.2937 57.4269 31.4555 176.2578 43 K 4.4461 7.7211 115.2241 54.8217 34.4668 175.1037 44 H 4.8996 8.2749 119.2684 54.4257 31.5936 172.9567 45 F 4.8291 8.5548 124.8639 55.7549 41.7202 175.4730 46 N 4.5257 8.8424 121.6332 56.1324 39.3647 175.1053 47 V 5.4692 7.6915 117.4283 60.4025 35.2681 174.4326 48 V 4.6621 7.9201 124.0343 61.4546 34.8422 173.5448 49 L 4.6585 8.4817 128.3281 54.2986 42.9207 175.3590 50 L 4.7942 8.3687 127.1297 54.3787 45.5145 176.3652 *52 L 4.0325 8.6580 115.2219 54.7655 43.6075 177.1594 53 L 4.7505 7.7739 123.0900 53.6748 41.6017 175.1094 54 L 4.9369 7.5287 123.1789 51.7439 44.8858 175.4524 55 P 4.3813 0.0000 0.0000 65.2743 31.2893 176.9552 56 D 4.6808 7.9771 116.3001 53.6953 40.8395 176.1990 57 V 4.4147 7.1854 117.4090 60.9910 34.8791 172.5554 58 N 4.8112 9.0589 121.8058 53.8489 39.0237 176.7299 59 G 3.7444 8.8170 112.1274 46.2209 0.0000 175.8457 60 L 3.9869 7.9830 120.7867 57.3005 41.9706 179.4056 61 E 4.0468 8.4473 118.4423 59.8148 29.4568 179.8812 62 I 3.5677 8.1087 119.4025 64.2773 37.1538 177.8011 63 L 3.9065 8.0096 120.6721 58.8013 41.7222 178.2025 64 K 3.7799 8.8941 119.1537 59.4839 31.7726 177.8517 65 W 4.2200 8.3026 128.7922 60.8353 30.9759 177.7860 66 I 3.8820 8.3287 119.6464 64.8518 36.6257 178.1828 67 K 3.9479 8.2710 119.1065 59.2178 31.7503 178.8191 68 E 3.8963 8.3992 120.4517 58.6057 29.6278 177.1057 69 R 4.1629 7.4326 114.3043 57.2642 32.3869 177.0877 70 S 4.6505 8.3028 117.1640 54.9812 62.6308 172.5530 71 P 4.2750 0.0000 0.0000 66.2731 31.3446 178.1964 72 E 4.1232 8.1927 113.5159 57.3110 29.3354 176.0331 73 T 4.6380 7.5829 117.4152 62.2500 69.8464 174.1473 74 E 4.2502 9.3526 128.1122 55.8683 30.6319 175.9791 75 V 4.6135 8.5189 124.7520 61.3195 34.0710 174.2402 76 I 4.5953 8.6230 130.2198 59.6137 38.7136 175.2636 77 V 4.2267 8.2731 129.0314 62.6283 32.5618 174.7872 78 I 4.8573 8.2634 128.6108 59.7654 39.4987 174.8665 79 T 4.5525 8.6277 120.4194 60.9242 70.9618 174.1469 80 G 3.7970 8.7219 112.9729 45.6778 0.0000 173.2108 81 H 4.9708 8.1099 116.3684 54.8017 28.8549 173.3188 82 G 4.4787 7.7581 107.8110 44.2953 0.0000 172.5241 83 T 4.7415 7.9923 109.0949 58.7338 73.2143 174.7428 84 I 3.5370 8.3989 123.8023 64.8949 37.0887 178.0614 85 K 3.7811 8.0476 119.4800 60.0327 32.1300 178.3689 86 T 3.8207 8.3558 115.6710 66.8709 68.4049 176.4301 87 A 2.5800 8.2523 122.7569 54.3410 18.2825 179.8110 88 V 3.3598 7.9161 117.2221 66.0208 31.6683 177.7973 89 E 3.9055 8.3445 118.9978 59.1048 29.1040 178.5278 90 A 4.0502 7.6964 120.3544 55.5698 18.4230 179.4353 91 M 3.9348 8.0567 117.0553 58.6982 31.8644 179.1444 92 K 3.8862 8.2494 117.3949 59.5376 32.2819 178.3253 93 M 4.3653 7.7085 116.1442 55.1712 32.9352 176.2802 94 G 3.7708 8.5325 107.3502 46.2242 0.0000 174.4922 95 A 4.6419 7.0347 120.9563 50.7419 20.4805 176.5740 96 Y 4.3826 7.9081 124.5506 59.9660 39.0859 175.9246 97 D 4.6778 8.0346 115.8208 53.1509 45.8406 173.0719 98 F 5.1175 9.9551 123.0480 56.9257 41.0626 173.5280 99 L 4.5927 9.0455 127.0584 54.0533 43.3407 175.8593 100 T 5.0204 8.2356 112.7812 59.6769 70.5309 174.2452 101 K 4.2202 9.3339 128.2645 55.3972 32.5442 175.5392 102 P 4.2485 0.0000 0.0000 62.5878 32.2099 175.4602 103 C 4.5740 8.0325 119.5135 56.8857 34.1238 174.1899 104 M 4.1128 8.6523 126.7557 55.6792 33.4229 176.8473 105 L 3.7863 8.4057 122.3378 58.0351 41.7406 179.5421 106 E 4.0466 8.0919 117.6066 59.8074 29.3891 179.4342 107 E 3.9226 8.1264 118.3640 59.5342 29.9793 178.4130 108 I 3.7120 7.7420 119.8968 64.6439 37.0945 177.8677 109 E 3.9542 8.5692 120.0734 59.4054 29.5751 178.0215 110 L 3.9141 8.1512 120.1747 59.1537 42.0665 178.9863 111 T 4.1409 8.4916 115.4207 67.0213 68.4382 176.6867 112 I 3.7634 7.6372 121.0798 64.2757 37.1835 178.1786 113 N 4.3038 8.2522 117.3527 56.2591 38.3725 177.4731 114 K 3.9095 8.4992 120.0355 59.5571 32.2241 178.9260 115 A 2.5800 7.8097 120.7482 54.8727 18.2000 179.8458 116 I 3.5628 7.6129 118.0053 64.2498 37.0920 177.9152 117 E 3.8660 8.4967 120.6309 59.7963 29.4354 178.1537 118 H 3.9849 8.2274 117.8574 59.5662 29.7472 176.9531 119 R 3.9527 7.7348 119.0973 58.8367 29.9103 177.8215 120 K 4.1666 7.6485 118.5628 58.9634 32.5609 177.9852 121 L 3.9194 8.0411 119.4717 58.3280 41.7435 179.6930 122 R 3.8747 7.8935 117.3498 59.7152 29.9183 178.9837 123 K 3.9621 8.2661 118.2756 59.1937 32.0497 178.7677 124 E 3.9319 8.1812 118.1280 60.0435 29.4441 179.3282 125 N 4.2973 8.3072 115.9514 56.5861 38.2821 177.3889 126 E 3.9747 8.0855 119.4686 58.9533 29.3913 179.1883 127 L 4.1377 8.0474 120.9676 57.9499 42.0771 178.6384 128 L 3.9325 8.1693 119.1614 57.8648 41.4604 179.3621 129 R 3.6389 7.9546 118.0227 59.3038 30.0474 178.1269 130 R 4.2159 7.3110 117.6882 58.7379 30.6979 178.2223 131 E 3.9652 8.3145 118.6714 57.9686 29.8914 179.2660 132 K 4.4942 9.7185 119.7856 56.1815 31.6953 181.1646 133 D 4.1387 8.2441 128.5754 56.4712 41.5542 175.5222 134 L 4.4428 9.0493 122.2148 55.5419 40.5621 183.3854 135 K 4.8405 6.3351 116.8401 54.9050 34.5877 180.0861 136 E 4.3909 7.4398 112.4157 56.7972 27.0360 178.2395 137 K 4.5397 7.9187 120.8742 55.8488 38.7922 179.1812 138 L 4.2419 8.3636 119.5102 55.0120 39.1169 181.2922 139 A 3.8292 8.2073 121.7580 52.3061 17.0599 177.1713 140 A 4.3031 8.1738 124.8058 52.7043 19.1214 177.5662 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 M 8.16 4.47 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 2 N 8.97 5.32 0.00 2.73 2.68 0.00 0.00 6.12 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 9.04 4.79 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 0.93 0.00 0.00 0.95 0.00 0.00 4 L 8.43 4.60 0.00 0.27 0.69 0.67 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.31 4.16 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 0.74 0.00 0.00 0.84 0.00 0.00 6 I 7.65 4.90 1.90 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.63 0.88 0.00 0.00 7 E 8.02 4.71 0.00 1.90 1.78 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 2.44 2.52 0.00 8 D 8.42 4.84 0.00 2.79 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 9 D 8.18 4.60 0.00 2.85 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 10 K 7.81 4.43 0.00 1.86 1.76 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.50 7.81 11 V 7.89 3.73 2.28 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 1.02 0.00 0.00 0.96 0.00 0.00 12 F 8.94 4.41 0.00 3.15 3.08 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 0.00 0.00 0.00 13 R 8.11 3.70 0.00 1.89 1.91 0.00 3.12 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 14 G 7.66 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 15 L 8.58 3.95 0.00 1.83 1.77 0.93 0.35 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 L 7.76 4.09 0.00 1.63 1.54 0.38 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.05 3.91 0.00 2.17 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 2.31 2.50 0.00 18 E 8.13 3.96 0.00 2.13 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 0.00 2.37 2.35 0.00 19 Y 9.12 4.09 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 20 L 8.72 3.73 0.00 1.83 1.74 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.91 4.25 0.00 4.01 3.88 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 22 M 7.96 3.92 0.00 1.85 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 23 K 7.61 3.94 0.00 1.48 1.99 0.00 1.58 0.00 0.00 1.94 0.00 0.00 3.11 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.55 7.81 24 G 7.09 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.26 4.50 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 1.20 0.77 1.00 0.00 0.00 26 K 8.82 4.17 0.00 1.73 1.75 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.41 7.81 27 V 8.40 5.08 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 0.79 0.00 0.00 0.98 0.00 0.00 28 E 8.85 4.80 0.00 2.17 1.93 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 2.30 2.38 0.00 29 S 8.64 5.47 0.00 3.80 3.90 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 30 A 7.89 4.32 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 31 E 9.32 4.11 0.00 1.97 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 2.31 2.33 0.00 32 R 7.60 4.85 0.00 1.79 2.05 0.00 3.13 0.00 0.00 3.45 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 33 G 8.88 3.90 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 0.00 0.00 0.00 34 K 7.74 3.94 0.00 1.92 1.81 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.49 7.81 35 E 8.30 3.93 0.00 2.10 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 2.40 2.34 0.00 36 A 7.98 3.98 1.29 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 0.00 0.00 0.00 37 Y 8.71 3.94 0.00 2.59 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 38 K 8.47 4.09 0.00 1.91 1.97 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.50 7.81 39 L 8.09 4.10 0.00 2.07 1.97 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.60 4.62 0.00 1.67 1.96 0.83 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.46 4.97 0.00 4.01 4.09 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 0.00 0.00 0.00 42 E 8.35 4.52 0.00 2.00 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 2.24 2.61 0.00 43 K 7.72 4.45 0.00 1.35 1.28 0.00 1.64 0.00 0.00 1.36 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.29 7.81 44 H 8.27 4.90 0.00 3.03 3.12 0.00 5.88 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.55 4.83 0.00 2.89 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 46 N 8.84 4.53 0.00 2.74 2.85 0.00 0.00 6.44 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 47 V 7.69 5.47 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 1.10 0.00 0.00 0.90 0.00 0.00 48 V 7.92 4.66 2.03 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 0.91 0.00 0.00 0.83 0.00 0.00 49 L 8.48 4.66 0.00 1.65 1.53 0.91 0.10 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 50 L 8.37 4.79 0.00 1.71 1.40 0.90 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 *52 L 8.66 4.03 0.00 1.63 1.68 1.02 0.51 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 53 L 7.77 4.75 0.00 1.67 1.64 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.53 4.94 0.00 1.90 1.53 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.38 0.00 2.17 2.19 0.00 3.73 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 56 D 7.98 4.68 0.00 2.75 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 57 V 7.19 4.41 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 1.09 0.00 0.00 0.82 0.00 0.00 58 N 9.06 4.81 0.00 2.91 2.71 0.00 0.00 7.40 7.78 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 59 G 8.82 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 60 L 7.98 3.99 0.00 1.72 1.83 1.03 0.99 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 61 E 8.45 4.05 0.00 2.26 2.20 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 2.42 2.46 0.00 62 I 8.11 3.57 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.75 0.72 0.00 0.00 63 L 8.01 3.91 0.00 1.80 1.90 0.97 0.68 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 64 K 8.89 3.78 0.00 1.87 2.08 0.00 1.87 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.68 7.81 65 W 8.30 4.22 0.00 3.49 3.29 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 0.00 66 I 8.33 3.88 2.05 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 1.62 0.87 0.93 0.00 0.00 67 K 8.27 3.95 0.00 1.90 1.81 0.00 1.73 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.48 1.80 7.81 68 E 8.40 3.90 0.00 1.87 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 2.17 2.32 0.00 69 R 7.43 4.16 0.00 1.24 1.34 0.00 2.64 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 70 S 8.30 4.65 0.00 4.19 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 71 P 0.00 4.27 0.00 2.19 2.21 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 72 E 8.19 4.12 0.00 2.12 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 2.37 2.25 0.00 73 T 7.58 4.64 4.40 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 1.35 0.00 0.00 74 E 9.35 4.25 0.00 1.77 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 75 V 8.52 4.61 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 1.03 0.00 0.00 0.95 0.00 0.00 76 I 8.62 4.60 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.89 0.96 0.00 0.00 77 V 8.27 4.23 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 0.50 0.00 0.00 0.98 0.00 0.00 78 I 8.26 4.86 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.94 0.94 0.00 0.00 79 T 8.63 4.55 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 1.02 0.00 0.00 80 G 8.72 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 8.11 4.97 0.00 3.15 3.24 0.00 5.63 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 82 G 7.76 4.48 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 83 T 7.99 4.74 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 1.25 0.00 0.00 84 I 8.40 3.54 1.83 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 1.48 0.50 0.85 0.00 0.00 85 K 8.05 3.78 0.00 1.79 1.76 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.52 7.81 86 T 8.36 3.82 4.51 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 1.38 0.00 0.00 87 A 8.25 2.58 0.39 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 88 V 7.92 3.36 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 0.88 0.00 0.00 0.92 0.00 0.00 89 E 8.34 3.91 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 2.33 2.34 0.00 90 A 7.70 4.05 1.61 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 0.00 0.00 91 M 8.06 3.93 0.00 1.99 2.21 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.82 0.00 92 K 8.25 3.89 0.00 1.85 1.89 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.65 7.81 93 M 7.71 4.37 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.57 0.00 94 G 8.53 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.03 4.64 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 96 Y 7.91 4.38 0.00 2.90 3.08 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 0.00 0.00 0.00 97 D 8.03 4.68 0.00 2.60 2.54 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 98 F 9.96 5.12 0.00 2.79 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.05 4.59 0.00 1.61 1.56 0.98 0.51 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 0.00 100 T 8.24 5.02 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 1.33 0.00 0.00 101 K 9.33 4.22 0.00 1.54 1.59 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.14 1.23 7.81 102 P 0.00 4.25 0.00 2.09 1.94 0.00 3.65 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 1.93 1.89 0.00 103 C 8.03 4.57 0.00 3.01 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 0.00 104 M 8.65 4.11 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 105 L 8.41 3.79 0.00 1.10 0.50 0.67 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.09 4.05 0.00 2.03 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 2.55 2.43 0.00 107 E 8.13 3.92 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 2.42 2.43 0.00 108 I 7.74 3.71 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.15 0.97 0.00 0.00 109 E 8.57 3.95 0.00 2.27 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 0.00 2.36 2.35 0.00 110 L 8.15 3.91 0.00 1.84 1.97 0.97 0.87 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 0.00 111 T 8.49 4.14 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 1.39 0.00 0.00 112 I 7.64 3.76 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.95 0.91 0.00 0.00 113 N 8.25 4.30 0.00 2.91 2.87 0.00 0.00 7.05 7.20 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 0.00 114 K 8.50 3.91 0.00 2.13 2.18 0.00 1.84 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.70 7.81 115 A 7.81 2.58 1.08 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 0.00 0.00 0.00 0.00 0.00 116 I 7.61 3.56 1.98 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 1.36 1.00 0.88 0.00 0.00 117 E 8.50 3.87 0.00 2.12 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 2.34 2.39 0.00 118 H 8.23 3.98 0.00 3.35 3.28 0.00 5.66 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 0.00 119 R 7.73 3.95 0.00 1.91 2.10 0.00 3.46 0.00 0.00 3.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 120 K 7.65 4.17 0.00 1.94 1.92 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.45 7.81 121 L 8.04 3.92 0.00 1.64 1.69 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 122 R 7.89 3.87 0.00 1.85 2.17 0.00 3.26 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.93 0.00 123 K 8.27 3.96 0.00 2.04 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.68 1.62 7.81 124 E 8.18 3.93 0.00 2.12 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 2.40 2.58 0.00 125 N 8.31 4.30 0.00 2.72 2.87 0.00 0.00 7.13 7.18 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 0.00 126 E 8.09 3.97 0.00 2.27 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 2.46 0.00 127 L 8.05 4.14 0.00 1.74 1.85 0.91 0.60 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 0.00 128 L 8.17 3.93 0.00 1.85 1.69 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 129 R 7.95 3.64 0.00 1.79 2.00 0.00 3.25 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 130 R 7.31 4.22 0.00 2.20 1.94 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 131 E 8.31 3.97 0.00 2.06 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 2.56 2.50 0.00 132 K 9.72 4.49 0.00 1.75 0.90 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.63 7.81 133 D 8.24 4.14 0.00 2.98 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 0.00 134 L 9.05 4.44 0.00 1.59 0.95 0.92 0.84 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 0.00 135 K 6.34 4.84 0.00 1.83 0.97 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.31 7.81 136 E 7.44 4.39 0.00 2.07 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 2.26 2.13 0.00 137 K 7.92 4.54 0.00 1.73 1.66 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 1.23 7.81 138 L 8.36 4.24 0.00 1.54 1.61 0.92 0.89 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 0.00 139 A 8.21 3.83 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 0.00 140 A 8.17 4.30 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 * Residues marked with a * may have inaccurate shift predictions.