NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4322 8.3349 115.5487 58.1722 64.1765 173.5661 3 F 4.1706 7.9288 117.7034 56.2843 42.4015 173.2776 4 R 4.8387 8.5902 124.5813 55.4190 32.2899 176.3523 5 F 4.9508 8.8392 123.4394 57.1633 41.1451 175.6863 6 G 3.8211 8.3186 120.3535 46.6682 0.0000 172.1177 7 Q 4.5746 8.8851 122.2072 55.4986 28.9747 174.3797 8 H 5.0185 8.2551 115.7472 54.1199 31.0506 173.2672 9 L 5.1202 8.3715 121.5429 53.3554 43.1158 175.8047 10 I 4.5401 9.0166 124.7899 59.5076 39.4924 175.3708 11 K 4.3079 8.6437 126.4626 55.6092 32.8902 176.5210 12 P 4.4486 0.0000 0.0000 65.5970 31.6693 178.8068 13 S 4.2045 8.2219 112.3952 60.6403 63.2146 175.7050 14 V 4.2457 7.8482 112.8097 60.8854 31.9193 175.0244 15 V 4.3892 7.4094 121.2904 61.3089 32.1089 175.3885 16 F 4.8923 7.7255 120.9444 56.3913 38.8375 175.1488 17 L 4.1357 6.5782 122.2695 53.9126 44.6685 173.6500 18 K 4.7874 8.3065 126.2734 55.2942 35.0240 175.1512 19 T 4.8030 8.4828 119.2472 59.9549 71.1687 173.6614 20 E 4.1451 8.8128 117.7904 59.1838 29.9299 177.0760 21 L 4.8786 8.0058 115.9462 54.0670 44.7238 175.9473 22 S 5.3983 8.5431 114.6968 57.0962 67.9652 172.4949 23 F 5.1854 8.9691 114.1353 55.8304 41.3497 173.1104 24 A 4.6859 8.4106 121.8628 49.7998 22.1015 175.1267 25 L 5.0204 8.2080 120.6752 53.9586 44.5103 176.2328 26 V 4.4350 8.4125 113.1970 60.8772 32.9525 175.5259 27 N 4.7291 8.2927 119.2564 52.1201 39.3510 175.8148 28 R 3.8822 8.5540 121.7948 58.1523 30.9434 175.6566 29 K 4.7737 7.4487 117.3530 53.4571 31.8957 172.9781 30 P 4.3846 0.0000 0.0000 62.2717 32.4942 177.2142 31 V 3.7446 8.7142 122.9230 65.3966 31.9767 176.1474 32 V 4.5228 7.1747 110.6482 58.2111 35.4119 172.9903 33 P 4.2273 0.0000 0.0000 64.2360 31.3383 177.2621 34 G 2.3367 8.0382 111.0230 44.4093 0.0000 172.2650 35 H 4.3206 7.5216 119.7902 56.7686 30.1512 174.7754 36 V 4.5920 8.5959 118.5611 59.4432 36.0863 174.5769 37 L 5.0367 8.4284 120.9959 52.9085 45.1838 176.1254 38 V 4.2574 8.3011 122.3083 61.3608 33.8499 174.0552 39 C 5.1793 8.1917 125.8686 56.9105 31.8744 172.4129 40 P 4.8109 0.0000 0.0000 62.2421 32.0402 176.5936 41 L 4.3688 9.0582 120.7075 57.8260 41.7431 178.4563 42 R 4.0478 7.9209 118.7109 55.2442 30.4909 174.2908 43 P 4.1469 0.0000 0.0000 61.8058 30.7127 175.2774 44 V 4.4390 7.6502 117.7292 59.5797 34.4828 176.9757 45 E 3.9520 8.8734 124.2197 58.6233 30.1297 177.0251 46 R 4.9316 7.6898 116.8419 54.0584 32.5070 177.0166 47 F 4.5056 9.4062 124.1053 61.5834 39.5404 176.9250 48 H 4.2661 8.1802 114.3559 57.5008 28.5096 175.8901 49 D 4.4111 7.6497 119.6481 56.1364 41.0090 176.8904 50 L 4.3475 7.4441 119.1286 54.3388 42.4552 177.6366 51 R 4.2897 8.6757 121.0513 54.8606 32.3309 176.2203 52 P 4.2601 0.0000 0.0000 66.0783 31.2635 178.7661 53 D 4.4448 8.0472 117.2792 56.3692 39.4554 178.3586 54 E 4.0280 8.1389 119.7171 59.0235 29.5816 179.2086 55 V 3.8127 8.0250 118.1628 65.9495 31.5949 177.8687 56 A 4.0689 8.0760 120.4861 55.3168 18.2112 179.1210 57 D 4.2449 8.1342 116.4758 57.3680 41.3597 177.8716 58 L 3.7923 8.3104 121.2962 58.4161 42.0718 178.8468 59 F 4.2763 8.1291 116.1070 59.6079 39.1396 178.0177 60 Q 4.1261 8.3491 118.3913 58.9566 28.4910 178.5242 61 T 3.9408 8.3356 117.4037 66.8530 68.4333 176.8255 62 T 3.9121 7.9313 117.7169 66.5580 68.4190 176.3322 63 Q 3.9737 8.0570 121.2567 59.3438 28.9960 178.6305 64 R 4.0391 7.9339 118.5209 59.2827 30.1645 179.2485 65 V 4.2323 8.5394 118.5813 66.1696 31.5995 178.0666 66 G 3.9224 8.7464 105.9086 48.4141 0.0000 175.6086 67 T 3.9135 7.9082 117.6453 66.3084 68.3792 176.9436 68 V 3.2197 7.5125 120.0910 66.0924 31.5675 178.5925 69 V 3.7813 7.9614 112.0041 64.0863 31.3584 178.2344 70 E 3.9569 8.2399 119.5209 58.8121 29.4913 178.6872 71 K 3.7953 7.7672 119.5540 59.6485 32.1605 178.2395 72 H 3.8709 7.9058 118.1566 58.9367 29.7761 175.9772 73 F 4.5134 8.2114 115.2264 56.7663 39.1645 175.7356 74 H 3.9261 7.5449 116.0164 56.8377 26.3989 174.1402 75 G 4.0906 8.3801 107.5041 44.6656 0.0000 173.0156 76 T 4.5980 8.8516 107.3887 61.4176 70.4462 173.5284 77 S 4.7495 7.5350 117.3120 58.7604 67.5117 172.9205 78 L 4.9651 8.2719 118.5469 54.0969 45.7735 175.7704 79 T 4.5977 8.3478 118.3986 61.7200 71.5878 172.9643 80 F 5.3094 8.8905 124.3436 56.0422 41.8551 174.6433 81 S 4.3695 8.5332 116.3246 57.5932 66.3123 172.5874 *83 Q 4.1458 8.5912 117.2866 56.2327 28.1964 173.8803 84 D 4.5115 8.0953 121.7026 53.7364 40.3282 175.2970 85 G 4.1711 8.4325 110.8321 42.9454 0.0000 171.1788 86 P 4.2323 0.0000 0.0000 65.7215 31.3279 178.4084 87 E 4.2584 8.2094 113.3230 57.2186 29.4443 176.8510 88 A 4.4854 7.9062 120.7581 51.7266 19.7075 177.7047 89 G 3.9322 7.9639 104.1084 44.7736 0.0000 173.7678 90 Q 4.0262 7.8673 121.0166 56.5454 28.8715 175.4671 91 T 4.1944 8.4237 116.4942 63.6240 69.8297 175.1240 92 V 3.8286 7.4746 122.4121 59.9582 32.6146 177.4323 93 K 4.3276 8.2926 127.0331 54.7178 30.3631 175.7747 94 H 4.8412 7.6404 117.6013 54.3591 33.1502 172.9004 95 V 3.9268 8.5670 128.0080 64.3500 31.6775 174.7766 96 H 4.9491 8.5760 120.5824 54.7131 31.3659 172.6900 97 V 4.3383 8.4409 120.6685 61.5761 33.9141 174.1278 98 H 5.1311 8.8141 125.1772 54.9270 30.6540 174.2938 99 V 4.5291 8.7648 122.8358 60.9822 34.3126 174.0733 100 L 4.8581 8.1867 127.5226 52.0236 44.8965 174.3116 101 P 4.7211 0.0000 0.0000 62.6253 32.0411 175.9451 102 R 4.9591 9.0479 124.0416 54.2353 32.9919 175.1763 103 K 5.0143 8.7473 120.7096 53.2485 36.3076 175.8485 104 A 3.6594 8.9147 123.0542 53.9646 18.3359 176.8696 105 G 3.8675 8.8407 111.3251 46.1544 0.0000 171.7942 106 D 4.5039 7.8990 122.2120 51.6106 42.6173 175.3649 *127 A 4.2451 8.0096 120.9174 52.8536 19.3863 177.4365 128 S 4.7634 8.5988 115.0459 58.4866 63.1775 173.9361 129 W 4.6486 8.1495 131.0203 57.3991 31.1284 175.2194 130 R 4.5123 6.8506 121.9493 54.0051 32.7883 174.6497 131 S 4.0668 8.0473 113.4635 57.8021 63.9164 175.1726 132 E 3.8958 8.8153 120.6800 59.4301 29.6136 178.3870 133 E 4.1370 8.0660 119.0796 58.6806 30.1546 176.8727 134 E 4.4542 8.0254 118.1385 56.7397 29.5299 178.4189 *136 A 4.7100 8.3457 122.8973 52.2190 20.9000 179.7746 137 A 4.0505 7.7216 117.5723 54.9241 18.3533 179.5178 138 E 3.8433 8.0830 117.4353 59.4742 29.7953 178.8294 139 A 3.9785 8.0831 120.1071 55.1937 18.1784 179.3356 140 A 3.9935 7.5953 118.5200 54.9790 18.8606 179.4059 141 A 4.0474 7.9219 119.2175 55.5465 18.6757 179.8298 142 L 4.0169 8.0325 117.3215 58.1350 41.6659 180.1302 143 R 4.3323 8.1616 117.9829 59.1744 29.7352 179.1213 144 V 3.8060 7.6305 116.8563 65.5908 31.5299 176.8093 145 Y 4.2095 7.8581 114.0423 58.5771 37.8946 175.7818 146 F 4.8985 7.7880 117.6822 57.2348 39.8700 175.4500 147 Q 4.2519 8.1485 125.5145 56.2984 28.6552 175.8669 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 S 8.33 4.43 0.00 3.60 3.89 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 3 F 7.93 4.17 0.00 2.79 1.89 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 4 R 8.59 4.84 0.00 1.92 1.95 0.00 3.17 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 5 F 8.84 4.95 0.00 3.16 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 6 G 8.32 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 7 Q 8.89 4.57 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 8 H 8.26 5.02 0.00 3.28 3.27 0.00 5.61 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.37 5.12 0.00 1.55 1.61 0.93 0.81 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 I 9.02 4.54 2.09 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.95 0.00 0.00 11 K 8.64 4.31 0.00 1.75 1.76 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.51 7.81 12 P 0.00 4.45 0.00 2.25 2.29 0.00 3.66 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 13 S 8.22 4.20 0.00 4.02 4.15 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 14 V 7.85 4.25 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 0.77 0.00 0.00 0.96 0.00 0.00 15 V 7.41 4.39 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 0.17 0.00 0.00 0.45 0.00 0.00 16 F 7.73 4.89 0.00 3.17 3.20 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 0.00 0.00 0.00 17 L 6.58 4.14 0.00 0.77 0.72 0.61 0.13 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 18 K 8.31 4.79 0.00 1.72 1.66 0.00 2.12 0.00 0.00 1.86 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.69 7.81 19 T 8.48 4.80 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 1.18 0.00 0.00 20 E 8.81 4.15 0.00 2.11 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 0.00 2.29 2.35 0.00 21 L 8.01 4.88 0.00 1.74 1.71 0.99 0.89 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 22 S 8.54 5.40 0.00 3.67 3.78 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 23 F 8.97 5.19 0.00 2.67 2.88 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 24 A 8.41 4.69 0.33 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 25 L 8.21 5.02 0.00 1.50 1.49 0.50 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.41 4.44 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 0.81 0.00 0.00 0.93 0.00 0.00 27 N 8.29 4.73 0.00 2.59 2.70 0.00 0.00 6.90 7.66 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 28 R 8.55 3.88 0.00 1.83 1.91 0.00 2.52 0.00 0.00 2.83 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 29 K 7.45 4.77 0.00 1.77 1.71 0.00 1.92 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.55 7.81 30 P 0.00 4.38 0.00 2.03 1.95 0.00 3.88 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.12 0.00 31 V 8.71 3.74 1.91 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 0.71 0.00 0.00 0.91 0.00 0.00 32 V 7.17 4.52 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 0.72 0.00 0.00 0.85 0.00 0.00 33 P 0.00 4.23 0.00 2.01 2.04 0.00 3.62 0.00 0.00 3.61 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 34 G 8.04 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 0.00 0.00 0.00 0.00 0.00 0.00 35 H 7.52 4.32 0.00 3.16 3.15 0.00 5.72 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.60 4.59 2.40 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 0.69 0.00 0.00 1.03 0.00 0.00 37 L 8.43 5.04 0.00 1.11 1.11 0.58 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.30 4.26 1.87 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 0.83 0.00 0.00 0.82 0.00 0.00 39 C 8.19 5.18 0.00 2.28 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 40 P 0.00 4.81 0.00 2.27 2.12 0.00 4.14 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 2.28 2.09 0.00 41 L 9.06 4.37 0.00 1.79 1.84 1.03 1.19 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 42 R 7.92 4.05 0.00 1.84 1.94 0.00 3.23 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 43 P 0.00 4.15 0.00 2.22 2.19 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 44 V 7.65 4.44 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 0.72 0.00 0.00 1.02 0.00 0.00 45 E 8.87 3.95 0.00 1.93 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 2.32 2.35 0.00 46 R 7.69 4.93 0.00 1.89 1.90 0.00 3.41 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 47 F 9.41 4.51 0.00 3.11 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 48 H 8.18 4.27 0.00 3.27 3.42 0.00 5.58 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.65 4.41 0.00 2.83 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 50 L 7.44 4.35 0.00 1.57 1.61 1.21 1.02 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 51 R 8.68 4.29 0.00 2.02 1.84 0.00 3.14 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 52 P 0.00 4.26 0.00 2.15 2.10 0.00 3.58 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 53 D 8.05 4.44 0.00 2.89 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 54 E 8.14 4.03 0.00 2.23 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 2.43 2.38 0.00 55 V 8.03 3.81 2.30 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 1.21 0.00 0.00 0.91 0.00 0.00 56 A 8.08 4.07 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.13 4.24 0.00 2.96 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 58 L 8.31 3.79 0.00 1.84 1.82 0.72 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.13 4.28 0.00 3.15 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 60 Q 8.35 4.13 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 61 T 8.34 3.94 4.32 0.00 0.00 0.00 0.00 0.00 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 62 T 7.93 3.91 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 63 Q 8.06 3.97 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 64 R 7.93 4.04 0.00 2.31 2.33 0.00 3.27 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 65 V 8.54 4.23 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 1.27 0.00 0.00 0.98 0.00 0.00 66 G 8.75 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.91 3.91 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 68 V 7.51 3.22 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 0.63 0.00 0.00 0.42 0.00 0.00 69 V 7.96 3.78 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 1.02 0.00 0.00 70 E 8.24 3.96 0.00 2.10 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 0.00 2.37 2.41 0.00 71 K 7.77 3.80 0.00 1.89 1.73 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.41 7.81 72 H 7.91 3.87 0.00 2.33 2.95 0.00 5.99 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.21 4.51 0.00 3.13 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 74 H 7.54 3.93 0.00 3.25 3.32 0.00 5.83 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 75 G 8.38 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 0.00 0.00 0.00 76 T 8.85 4.60 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 77 S 7.54 4.75 0.00 3.74 3.78 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 78 L 8.27 4.97 0.00 1.44 0.85 1.15 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.35 4.60 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 1.16 0.00 0.00 80 F 8.89 5.31 0.00 2.95 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 81 S 8.53 4.37 0.00 3.87 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 *83 Q 8.59 4.15 0.00 2.13 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.01 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 84 D 8.10 4.51 0.00 2.64 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 85 G 8.43 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 86 P 0.00 4.23 0.00 2.20 2.13 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 87 E 8.21 4.26 0.00 1.95 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 2.32 2.37 0.00 88 A 7.91 4.49 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 89 G 7.96 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 90 Q 7.87 4.03 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 91 T 8.42 4.19 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 92 V 7.47 3.83 1.89 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 0.60 0.00 0.00 0.08 0.00 0.00 93 K 8.29 4.33 0.00 1.75 1.82 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.41 7.81 94 H 7.64 4.84 0.00 2.99 2.96 0.00 5.75 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.57 3.93 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 0.94 0.00 0.00 1.16 0.00 0.00 96 H 8.58 4.95 0.00 3.02 3.24 0.00 5.54 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 97 V 8.44 4.34 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 1.12 0.00 0.00 0.46 0.00 0.00 98 H 8.81 5.13 0.00 3.23 3.20 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.76 4.53 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 0.78 0.00 0.00 1.08 0.00 0.00 100 L 8.19 4.86 0.00 1.47 1.35 0.76 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.72 0.00 1.84 1.97 0.00 3.52 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.01 0.00 102 R 9.05 4.96 0.00 1.51 1.75 0.00 3.15 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 103 K 8.75 5.01 0.00 1.66 1.72 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.20 7.81 104 A 8.91 3.66 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 0.00 105 G 8.84 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 0.00 106 D 7.90 4.50 0.00 2.72 2.58 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 0.00 0.00 0.00 *127 A 8.01 4.25 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 0.00 128 S 8.60 4.76 0.00 3.90 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 0.00 129 W 8.15 4.65 0.00 3.31 3.07 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 0.00 0.00 0.00 130 R 6.85 4.51 0.00 1.53 1.70 0.00 3.15 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.55 0.00 131 S 8.05 4.07 0.00 3.88 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 0.00 132 E 8.82 3.90 0.00 1.95 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 2.33 2.34 0.00 133 E 8.07 4.14 0.00 2.00 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 2.37 2.33 0.00 134 E 8.03 4.45 0.00 2.10 1.88 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 2.30 2.21 0.00 *136 A 8.35 4.71 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 0.00 137 A 7.72 4.05 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 0.00 138 E 8.08 3.84 0.00 2.07 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 2.33 2.48 0.00 139 A 8.08 3.98 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 0.00 140 A 7.60 3.99 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 0.00 141 A 7.92 4.05 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 0.00 142 L 8.03 4.02 0.00 1.39 1.30 0.16 0.68 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 0.00 143 R 8.16 4.33 0.00 2.14 2.10 0.00 3.20 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 144 V 7.63 3.81 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 0.58 0.00 0.00 0.92 0.00 0.00 145 Y 7.86 4.21 0.00 2.49 2.56 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 0.00 146 F 7.79 4.90 0.00 3.13 3.09 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 0.00 147 Q 8.15 4.25 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 * Residues marked with a * may have inaccurate shift predictions.