NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3069 8.4444 118.8002 55.6455 31.4479 175.2852 3 Q 4.1991 7.8416 120.7181 53.6632 30.0140 173.2977 4 P 4.5360 0.0000 0.0000 63.0294 33.5859 175.6592 5 R 4.6678 8.4445 121.4064 55.0933 32.0541 177.2690 6 L 3.8933 8.5568 121.0334 58.5007 41.5871 178.5713 7 F 3.9441 8.1881 118.8709 61.3687 39.5621 176.4583 8 E 4.0743 8.2965 117.4162 59.4677 29.3508 178.9156 9 L 3.9459 7.8544 118.8858 57.9823 41.5234 179.2693 10 L 4.2682 7.6637 115.2891 55.8983 41.5162 178.4579 11 G 3.7123 7.8771 105.8265 44.6899 0.0000 174.3829 12 Q 4.2374 7.3887 120.6734 54.1632 29.6209 173.6431 13 P 4.2240 0.0000 0.0000 64.2900 31.7948 175.3790 14 G 4.1761 8.9258 111.3045 46.2671 0.0000 175.0235 15 Y 4.5690 7.1160 118.0740 60.2438 37.6578 178.4949 16 K 4.0074 8.1555 119.9741 59.4941 32.4807 178.5656 17 A 4.0936 8.0525 120.7703 55.4884 18.1625 179.5908 18 T 3.9298 8.3777 108.4014 64.4032 68.8225 176.6491 19 W 4.0089 8.5340 131.4652 60.8272 30.7904 177.5377 20 H 4.4255 8.5017 117.5783 59.2660 29.1276 177.0240 21 A 4.0009 8.0558 122.3902 55.1042 17.8999 179.4465 22 M 3.6357 7.2584 116.1014 57.3851 32.0596 177.2268 23 F 4.6560 6.9803 115.6896 56.6592 39.7281 175.3505 24 K 4.1942 7.4329 124.0031 57.6011 32.1724 177.1841 25 G 3.9796 9.0024 114.1471 45.4592 0.0000 172.7376 26 E 4.5645 7.9645 119.3923 55.0019 30.5673 175.7707 27 S 4.8129 8.3215 116.1125 57.3103 65.6732 173.1280 28 D 4.3935 8.5183 117.7829 55.3264 38.1731 174.1703 29 V 3.9076 7.0559 115.2451 61.4231 32.4271 174.5538 30 P 4.3923 0.0000 0.0000 62.1606 33.2197 177.3634 31 K 3.8904 8.6350 121.8265 59.3793 32.1154 179.2548 32 W 4.4530 8.1750 117.7155 58.5084 28.0248 178.3148 33 V 3.0814 6.6028 119.2556 65.4253 30.9150 177.8410 34 S 3.3620 7.0926 112.0846 60.9454 62.7148 174.8613 35 D 4.5251 8.1884 117.8669 53.5165 40.9424 175.9042 36 A 3.7934 7.8152 121.3854 52.9513 16.5943 177.6075 37 S 4.4825 7.8186 114.1562 58.7511 64.8090 173.7051 38 G 4.5357 8.4833 105.5437 45.1834 0.0000 171.4187 39 P 4.3003 0.0000 0.0000 62.8974 31.7557 175.9548 40 S 4.9730 8.3659 115.9374 56.8189 65.4141 173.1993 41 S 4.8088 8.8214 121.7903 55.3145 65.1692 172.0045 42 P 4.1355 0.0000 0.0000 63.4540 31.3088 176.7389 43 S 4.7072 8.5722 119.0799 58.7432 64.3327 173.4360 44 T 4.7196 8.8265 116.5633 61.9984 71.9432 173.3051 45 S 5.3634 8.7466 120.4995 56.6142 64.4595 172.7416 46 L 4.7604 8.7752 125.9116 55.1416 44.4687 174.4219 47 S 5.1913 8.5438 113.8030 56.9748 66.3965 173.9095 48 L 4.5929 9.5109 126.5999 54.2119 40.5762 174.5343 49 E 3.7762 9.5952 121.9945 56.5104 26.5864 173.9472 50 G 4.1195 8.2965 107.6754 45.2251 0.0000 171.5580 51 Q 4.2725 7.7352 119.2659 54.0941 29.1041 173.1263 52 P 5.1616 0.0000 0.0000 62.0793 33.2425 174.8331 53 Y 5.3320 9.5369 119.0551 56.4886 43.1401 174.1745 54 V 4.8834 9.1104 121.2629 61.3348 34.6722 174.2350 55 L 5.1509 9.4641 128.8825 53.6064 43.2086 175.9239 56 A 5.2994 9.3029 126.4275 50.2792 22.4666 174.4718 57 N 5.7510 8.5239 115.1383 52.0505 40.6283 173.6104 58 S 5.3300 9.3861 114.0473 59.0215 67.2373 170.2959 59 C 5.1178 8.4631 113.1548 53.6759 46.3026 173.0434 60 K 3.4620 7.2030 122.0002 55.3470 32.5436 174.5871 61 P 4.1623 0.0000 0.0000 64.5890 31.5954 175.7502 62 H 4.1518 9.0363 117.8515 56.4417 26.2380 175.3264 63 D 4.5468 7.7018 118.6644 52.8280 41.8203 176.3935 64 C 3.9883 8.2763 121.9791 59.6567 44.3853 175.1236 65 G 3.6747 8.1347 107.0420 48.6033 0.0000 173.6275 66 N 4.7095 7.6148 111.8437 53.3481 39.0673 174.4417 67 N 5.4936 8.0471 116.9097 51.7896 41.3373 173.1017 68 R 5.1954 9.2003 122.3116 54.0198 34.1533 174.6544 69 L 5.3158 9.3303 123.8656 53.5184 45.3014 174.8998 70 L 5.3069 8.9866 126.7971 52.9892 44.3692 175.7509 71 V 4.8335 8.8623 123.0721 60.8893 35.1736 173.8887 72 A 5.2617 8.9796 129.1056 50.4027 21.3456 175.0094 73 F 5.0572 9.2608 122.2451 56.1198 41.4970 176.1302 74 R 4.0445 9.1762 123.2561 55.8124 30.5581 178.3993 75 G 3.7421 8.7376 112.5402 48.2253 0.0000 173.9748 76 D 4.5631 8.0391 117.5737 52.6312 39.6068 176.4882 77 K 4.0111 7.9003 116.7655 57.7659 30.0292 176.6148 78 S 4.3807 8.2929 114.6552 59.8755 63.8160 173.6043 79 A 4.4727 7.3586 120.1652 51.2134 22.0423 174.8003 80 A 4.8349 7.8843 119.6508 50.4334 22.6743 175.2302 81 Y 4.8539 8.7307 116.3247 56.2320 42.5493 174.9502 82 G 4.5134 9.3723 109.0446 44.3970 0.0000 171.2989 83 L 4.7581 8.8870 122.9119 52.9956 45.1522 174.8062 84 Q 4.9473 9.0263 128.9944 54.5690 31.1428 174.1227 85 V 4.6325 9.0871 127.1858 61.3034 33.9294 174.1825 86 S 5.3888 8.8972 124.4059 56.7589 65.4605 173.2838 87 L 5.1887 8.6783 124.0644 52.2555 44.7808 174.7546 88 P 4.6294 0.0000 0.0000 62.1337 32.6903 175.7112 89 D 4.7044 8.4520 118.5070 53.4548 39.4481 176.1581 90 E 3.9652 7.3072 119.9695 55.4180 29.8904 174.6752 91 P 4.1487 0.0000 0.0000 62.9578 31.7461 176.6577 92 A 3.8629 8.6837 121.1338 55.6316 18.0449 179.7904 93 E 3.8478 8.1854 116.5224 59.7161 29.2012 179.4525 94 V 3.1206 7.4318 117.6832 65.7831 31.4356 177.7664 95 M 4.1479 7.8415 118.3726 58.3280 31.8713 178.4596 96 Q 4.2164 7.8763 116.6317 57.8466 30.5797 176.9098 97 T 4.4880 7.5226 110.2776 58.4618 68.6434 172.2989 98 P 4.1951 0.0000 0.0000 66.3452 31.7666 179.7456 99 S 3.9369 7.1045 113.1821 60.6824 62.8447 176.2704 100 K 3.6870 7.7074 121.3508 58.5306 31.9438 176.7559 101 Y 4.4404 7.8055 113.6287 57.4599 38.9254 175.7852 102 A 4.4339 7.4226 122.0120 52.1924 19.4051 177.1019 103 T 4.5209 8.5235 116.8911 61.8274 71.7266 172.7641 104 Y 5.0162 8.6428 123.1447 56.0888 40.7691 175.0326 105 R 4.4963 8.6306 123.6032 54.2198 33.3580 173.8015 106 W 5.2939 8.6675 125.4075 55.2571 31.4324 174.9005 107 Y 4.7006 9.1756 121.3952 57.3952 40.8033 176.9917 108 G 3.7129 8.9934 110.6378 44.6177 0.0000 172.8578 109 E 3.7459 8.0773 117.3506 56.7186 26.6037 172.8219 110 P 3.8908 0.0000 0.0000 62.3903 32.7696 177.5479 111 S 4.3382 7.6464 115.4387 57.0187 66.0967 174.8182 112 R 3.6432 8.1941 120.2033 59.9845 29.5873 178.2824 113 Q 3.9124 7.7941 117.0693 58.6978 28.7347 178.7273 114 V 3.2565 7.3284 118.9111 65.7955 31.5404 177.9767 115 R 3.7828 7.6864 117.8771 59.2694 29.7677 178.5992 116 E 3.8834 8.0541 118.8595 59.2028 29.7004 178.7813 117 L 3.9285 7.7954 118.9607 57.8864 41.7210 179.6216 118 L 4.0399 8.0926 118.8275 58.0992 41.5179 179.5072 119 M 4.0629 8.4563 118.9318 58.1050 31.6149 178.7464 120 K 3.9177 8.0379 119.3444 59.3263 32.7225 178.3546 121 Q 4.0644 7.9785 119.7504 59.0036 28.9863 177.9818 122 L 3.6802 7.6402 121.1484 58.1122 41.9419 178.3729 123 E 4.1964 7.9088 115.3076 57.5309 29.4276 178.2359 124 S 4.5300 7.5700 113.9876 58.1896 63.8863 173.7043 125 D 4.4876 7.6945 124.4584 53.4119 41.3344 174.8461 126 P 4.2544 0.0000 0.0000 65.6453 30.2739 176.7011 127 N 4.7742 9.3011 113.8616 53.0135 38.7618 176.4922 128 W 4.4531 8.4330 129.2460 59.4415 30.9795 175.2791 129 K 4.2807 7.3806 115.7720 56.0868 36.0529 176.4464 *130 L 4.1415 8.2970 118.8915 54.7755 41.5304 174.9948 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 E 8.44 4.31 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 2.19 2.32 0.00 3 Q 7.84 4.20 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.98 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 4 P 0.00 4.54 0.00 2.16 2.18 0.00 3.76 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 2.08 2.02 0.00 5 R 8.44 4.67 0.00 2.07 1.96 0.00 3.16 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 6 L 8.56 3.89 0.00 1.85 1.70 0.82 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.19 3.94 0.00 3.01 3.06 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 0.00 0.00 0.00 8 E 8.30 4.07 0.00 2.32 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 2.46 2.56 0.00 9 L 7.85 3.95 0.00 1.62 1.08 0.75 0.35 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 10 L 7.66 4.27 0.00 1.41 1.47 0.22 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 11 G 7.88 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 7.39 4.24 0.00 2.32 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 13 P 0.00 4.22 0.00 2.05 1.98 0.00 3.63 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 14 G 8.93 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.12 4.57 0.00 3.10 2.65 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 0.00 0.00 0.00 16 K 8.16 4.01 0.00 2.03 1.82 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.62 7.81 17 A 8.05 4.09 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 18 T 8.38 3.93 4.36 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 1.43 0.00 0.00 19 W 8.53 4.01 0.00 3.86 3.45 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 20 H 8.50 4.43 0.00 3.45 3.41 0.00 5.84 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 21 A 8.06 4.00 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 22 M 7.26 3.64 0.00 0.85 0.66 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 23 F 6.98 4.66 0.00 2.96 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 24 K 7.43 4.19 0.00 1.64 1.69 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.39 7.81 25 G 9.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 7.96 4.56 0.00 2.33 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 0.00 2.42 2.74 0.00 27 S 8.32 4.81 0.00 3.99 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.52 4.39 0.00 2.86 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.06 3.91 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 0.11 0.00 0.00 1.06 0.00 0.00 30 P 0.00 4.39 0.00 1.62 2.03 0.00 3.32 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 2.16 2.14 0.00 31 K 8.64 3.89 0.00 1.84 1.87 0.00 1.75 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.50 7.81 32 W 8.18 4.45 0.00 3.66 3.32 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 0.00 33 V 6.60 3.08 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 0.27 0.00 0.00 -0.80 0.00 0.00 34 S 7.09 3.36 0.00 3.84 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.19 4.53 0.00 2.86 2.77 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 36 A 7.82 3.79 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.82 4.48 0.00 4.04 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 38 G 8.48 4.54 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 0.00 0.00 0.00 39 P 0.00 4.30 0.00 2.15 1.97 0.00 3.66 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 2.03 2.02 0.00 40 S 8.37 4.97 0.00 3.84 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.82 4.81 0.00 4.01 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.14 0.00 2.08 2.23 0.00 3.70 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 2.16 0.00 43 S 8.57 4.71 0.00 3.83 4.04 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 0.00 0.00 0.00 44 T 8.83 4.72 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 1.25 0.00 0.00 45 S 8.75 5.36 0.00 4.04 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 46 L 8.78 4.76 0.00 1.79 1.78 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.54 5.19 0.00 3.90 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 48 L 9.51 4.59 0.00 1.86 1.68 0.63 0.63 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 49 E 9.60 3.78 0.00 2.09 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 2.25 2.30 0.00 50 G 8.30 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 0.00 0.00 0.00 51 Q 7.74 4.27 0.00 2.47 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 52 P 0.00 5.16 0.00 2.12 2.17 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.80 0.00 53 Y 9.54 5.33 0.00 2.94 2.92 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 54 V 9.11 4.88 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.05 0.00 0.00 55 L 9.46 5.15 0.00 1.66 1.65 0.95 0.50 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 56 A 9.30 5.30 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 57 N 8.52 5.75 0.00 2.72 2.80 0.00 0.00 5.82 7.64 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 58 S 9.39 5.33 0.00 4.09 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 C 8.46 5.12 0.00 3.06 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.20 3.46 0.00 0.79 1.14 0.00 1.25 0.00 0.00 1.36 0.00 0.00 2.75 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.05 0.80 7.81 61 P 0.00 4.16 0.00 1.96 1.81 0.00 3.75 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 2.03 2.14 0.00 62 H 9.04 4.15 0.00 3.27 3.35 0.00 5.73 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 63 D 7.70 4.55 0.00 2.54 2.32 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 0.00 64 C 8.28 3.99 0.00 2.89 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 65 G 8.13 3.67 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 0.00 0.00 0.00 66 N 7.61 4.71 0.00 2.93 3.06 0.00 0.00 6.77 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 67 N 8.05 5.49 0.00 2.25 2.40 0.00 0.00 6.78 7.69 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 68 R 9.20 5.20 0.00 1.76 1.83 0.00 3.07 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 69 L 9.33 5.32 0.00 1.95 1.84 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.99 5.31 0.00 1.59 1.55 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.86 4.83 2.15 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 0.21 0.00 0.00 0.87 0.00 0.00 72 A 8.98 5.26 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 73 F 9.26 5.06 0.00 2.94 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 74 R 9.18 4.04 0.00 1.82 1.75 0.00 3.43 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.97 0.00 75 G 8.74 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 76 D 8.04 4.56 0.00 2.77 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 77 K 7.90 4.01 0.00 1.90 1.84 0.00 0.72 0.00 0.00 1.28 0.00 0.00 2.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.20 1.32 7.81 78 S 8.29 4.38 0.00 4.00 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 79 A 7.36 4.47 0.99 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 0.00 0.00 80 A 7.88 4.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 8.73 4.85 0.00 2.95 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 9.37 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 0.00 0.00 0.00 0.00 83 L 8.89 4.76 0.00 1.22 1.32 -0.31 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 9.03 4.95 0.00 2.33 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 85 V 9.09 4.63 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 0.84 0.00 0.00 0.86 0.00 0.00 86 S 8.90 5.39 0.00 3.78 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.68 5.19 0.00 1.63 1.53 1.15 0.99 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 88 P 0.00 4.63 0.00 2.22 2.21 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.15 0.00 89 D 8.45 4.70 0.00 2.76 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.31 3.97 0.00 1.74 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 2.36 2.29 0.00 91 P 0.00 4.15 0.00 2.47 2.20 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 92 A 8.68 3.86 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.19 3.85 0.00 1.98 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 0.00 2.47 2.47 0.00 94 V 7.43 3.12 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 0.71 0.00 0.00 0.30 0.00 0.00 95 M 7.84 4.15 0.00 1.96 2.27 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 96 Q 7.88 4.22 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.27 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 97 T 7.52 4.49 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 1.19 0.00 0.00 98 P 0.00 4.20 0.00 1.73 2.29 0.00 3.47 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.87 0.00 99 S 7.10 3.94 0.00 4.04 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.71 3.69 0.00 1.60 2.05 0.00 1.63 0.00 0.00 1.34 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.58 1.10 7.81 101 Y 7.81 4.44 0.00 2.88 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 0.00 102 A 7.42 4.43 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.52 4.52 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 1.20 0.00 0.00 104 Y 8.64 5.02 0.00 2.72 2.43 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 0.00 105 R 8.63 4.50 0.00 1.71 1.52 0.00 2.96 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.30 0.00 106 W 8.67 5.29 0.00 3.09 3.03 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 0.00 107 Y 9.18 4.70 0.00 2.69 2.39 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 0.00 108 G 8.99 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.08 3.75 0.00 2.15 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 2.22 2.22 0.00 110 P 0.00 3.89 0.00 1.81 1.90 0.00 3.78 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.12 0.00 111 S 7.65 4.34 0.00 3.92 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 0.00 112 R 8.19 3.64 0.00 1.76 1.86 0.00 3.10 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 1.59 1.61 0.00 113 Q 7.79 3.91 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 114 V 7.33 3.26 1.72 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 0.76 0.00 0.00 0.43 0.00 0.00 115 R 7.69 3.78 0.00 1.70 1.39 0.00 2.68 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.17 0.00 116 E 8.05 3.88 0.00 2.05 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 2.27 2.32 0.00 117 L 7.80 3.93 0.00 1.82 1.61 0.54 0.38 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 0.00 118 L 8.09 4.04 0.00 2.10 1.78 1.15 0.91 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 0.00 119 M 8.46 4.06 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 3.05 0.00 120 K 8.04 3.92 0.00 1.85 2.00 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.49 7.81 121 Q 7.98 4.06 0.00 2.39 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 122 L 7.64 3.68 0.00 1.54 1.55 0.10 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 123 E 7.91 4.20 0.00 2.10 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 2.60 2.36 0.00 124 S 7.57 4.53 0.00 4.07 4.11 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 0.00 0.00 0.00 125 D 7.69 4.49 0.00 2.77 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 0.00 126 P 0.00 4.25 0.00 2.12 2.16 0.00 3.77 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 2.07 2.17 0.00 127 N 9.30 4.77 0.00 2.89 2.88 0.00 0.00 6.54 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 0.00 128 W 8.43 4.45 0.00 3.39 3.23 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 0.00 129 K 7.38 4.28 0.00 1.77 1.68 0.00 1.75 0.00 0.00 1.55 0.00 0.00 3.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.59 7.81 *130 L 8.30 4.14 0.00 1.41 1.48 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.