NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.6196 8.3149 120.0860 56.4183 33.6047 174.6831 6 I 4.5055 9.0111 125.5065 58.5101 41.6797 169.2272 7 V 4.8736 9.0127 124.8027 60.5544 34.1846 173.7714 8 L 4.9680 8.6372 128.2839 53.2506 44.0524 175.9465 9 K 4.5921 8.8095 125.1425 54.8088 32.4988 176.4939 10 S 4.6545 8.4563 120.2895 58.2061 63.0700 174.9071 11 S 4.2226 8.7261 115.2892 60.0992 62.4230 173.5541 12 D 4.9103 7.3085 119.7222 53.8290 39.1288 177.1988 13 G 3.9790 8.2361 104.2846 47.3955 0.0000 171.9356 14 E 4.7435 7.8150 121.5197 55.0748 32.4126 173.8359 15 S 4.4991 8.5250 119.1647 59.0038 64.2036 173.7033 16 F 4.5614 8.6504 119.6492 55.4997 42.3932 173.8770 17 E 4.3662 8.9533 125.9872 56.1799 29.9339 176.1035 18 V 4.6733 8.5477 119.6503 59.4964 36.5771 175.7832 19 E 4.4095 8.6461 122.4453 55.5972 29.7295 176.8212 20 E 3.9895 8.1645 119.4867 59.4772 29.2796 177.2895 21 A 4.2904 7.5564 120.3343 52.9833 18.8592 178.7225 22 V 3.7591 7.5703 117.9917 65.3378 31.7963 177.1092 23 A 4.3444 7.5078 117.8211 53.1406 17.2296 177.6796 24 L 4.4019 7.6447 115.2063 55.1438 42.4092 178.5034 25 E 4.0436 7.6912 117.0710 58.5326 29.6226 176.8281 26 S 4.4800 7.4315 112.8173 56.7297 61.7021 174.2632 27 Q 4.2449 8.6040 124.4187 57.4562 27.9256 178.3315 28 T 4.1130 7.7791 116.6148 64.5240 69.4639 176.6606 29 I 4.0851 7.8959 121.4989 62.2677 38.3580 178.0369 30 A 3.9555 8.0228 123.3871 55.6900 18.3081 178.6352 31 H 4.5797 7.6940 108.6512 56.8026 28.1788 175.5144 32 M 4.8605 7.8604 118.3209 55.3519 32.5912 176.7725 33 V 4.1981 7.4898 108.9713 61.4671 31.9451 176.8694 34 E 4.1517 7.4549 120.3074 58.7567 30.1853 177.5587 35 D 4.5914 7.7200 121.6418 52.8005 39.3688 176.1454 36 D 4.6297 7.8308 120.2504 54.3994 38.4202 175.7837 37 C 4.4934 8.4513 121.8237 60.0264 28.5810 175.8340 38 V 3.7696 7.6208 120.3600 64.5600 31.1631 177.2181 39 D 4.3519 7.4766 118.2929 58.4890 40.7764 177.2575 40 N 4.6858 8.1018 113.7080 52.8261 38.6982 173.5619 41 G 4.0584 7.7357 110.5255 44.7207 0.0000 174.5066 42 V 3.7724 8.1210 122.0192 61.0575 32.3399 173.4260 43 P 4.9440 0.0000 0.0000 61.7246 32.3044 176.9650 44 L 4.8628 8.5774 124.2634 53.2984 40.4970 175.1055 45 P 4.4247 0.0000 0.0000 64.1021 31.2670 176.5374 46 N 4.7234 8.0851 114.1606 52.4686 39.3020 174.1838 47 V 4.2080 7.3562 118.7141 60.4532 33.7169 174.9647 48 T 4.1599 8.3688 121.3463 62.5828 69.2905 174.4060 49 S 4.2724 8.7024 120.8994 60.5825 62.0461 176.3636 50 K 4.0446 8.0899 122.1729 59.3018 31.9569 178.7755 51 I 3.7702 7.6106 119.6115 64.3573 37.4779 177.6301 52 L 3.8481 7.9915 120.9056 58.1995 41.6266 178.9663 53 A 4.0018 7.8050 119.9820 55.3257 18.0654 179.9142 54 K 4.2483 7.7732 115.6443 59.2728 32.0384 179.9908 55 V 3.7820 7.9009 119.0194 66.1596 31.5265 178.1841 56 I 3.7875 7.7418 119.3843 64.2913 36.4950 178.0352 57 E 4.1225 8.2390 119.9309 59.2055 29.4396 178.3443 58 Y 4.0238 7.6969 119.2020 60.8751 38.8833 177.4579 59 C 3.8689 8.1236 117.5529 62.5755 28.3185 175.6808 60 K 3.7225 8.3494 121.6096 60.0305 31.4514 178.5708 61 R 3.6489 7.1980 116.6854 59.4525 29.6214 177.8660 62 H 4.0905 7.8705 116.1158 58.3816 28.8691 177.5921 63 V 3.5957 7.9413 120.5041 65.7339 31.4001 176.9182 64 E 4.2876 7.5927 116.3665 56.6049 28.8126 176.9948 65 A 4.4235 7.2938 118.6682 51.7920 19.9054 178.6555 66 A 4.0815 7.4119 118.4670 55.3599 19.3278 180.5900 67 A 4.3237 7.4410 120.0208 51.7369 17.4225 178.4033 *80 D 4.6183 8.6267 112.6364 55.1477 43.6445 177.3381 81 D 4.4324 8.0835 118.9085 57.2249 41.7082 177.0458 82 D 4.6709 7.9506 116.3184 54.7966 41.1438 178.3609 83 L 4.0848 7.6805 120.6899 57.8154 41.9578 179.0510 84 K 4.3214 7.6507 118.1180 58.8272 31.9718 179.1665 85 A 4.0255 7.4151 120.4266 54.8358 18.5980 179.2584 86 W 4.2421 8.2007 126.0333 60.6615 30.2643 177.9112 87 D 4.3623 8.9986 118.8261 57.5239 40.1645 178.4485 88 A 4.0048 7.5742 119.3914 55.4839 18.5836 178.8720 89 D 4.3162 8.0207 115.9913 57.1774 41.0931 178.1953 90 F 3.8676 8.0063 120.7421 61.0888 39.2808 176.4359 91 M 3.9526 7.3319 116.1201 56.0702 33.3084 177.1851 92 K 4.1894 7.2523 119.5414 56.5477 29.6995 174.7985 93 I 4.5292 6.8540 113.7105 57.8317 41.5209 175.9159 94 D 4.5415 8.0311 120.2924 52.6324 41.5458 177.0011 95 Q 3.3416 8.2414 118.1336 58.9731 28.4484 178.7875 96 A 3.9354 7.8333 121.0667 55.5923 18.1112 179.7994 97 T 3.8242 7.5361 113.5790 66.5932 68.7127 176.3925 98 L 3.7736 7.4700 122.2203 58.4265 41.9045 179.2707 99 F 4.5696 7.8924 117.2379 60.8718 38.5683 177.5794 100 E 4.1208 7.9945 117.5244 58.8350 29.0610 179.5807 101 L 4.0509 7.6461 119.2682 57.6129 41.8465 179.0680 102 I 3.7281 7.4901 119.7945 64.6334 37.2018 178.3939 103 L 4.0244 8.0662 119.3270 57.7523 41.2701 179.6359 104 A 4.1448 7.7353 119.8151 55.0176 18.7430 179.5173 105 A 3.9463 8.7494 119.6672 54.7836 18.1622 178.6612 106 N 4.5801 8.0362 113.9143 55.2365 39.4176 176.0383 107 Y 4.3741 7.7126 119.9291 61.4316 39.4444 175.6570 108 L 4.3146 8.2742 125.0383 53.8316 41.9644 177.9559 109 N 4.9400 8.3032 115.2461 53.6100 39.2438 177.0506 110 I 4.2489 7.7550 121.6281 59.4734 36.3998 176.9958 111 K 3.9905 8.4159 127.1806 59.0967 32.5825 178.8273 112 N 4.1663 8.1981 115.8275 55.4585 37.5035 175.8426 113 L 4.2446 7.8342 118.8171 55.1141 42.1711 176.4838 114 L 4.6677 7.7605 118.4025 55.0166 44.1177 177.8840 115 D 4.5752 7.7172 116.3977 55.7891 40.7464 177.0795 116 L 4.5100 7.5995 120.2871 57.0455 43.5121 178.0562 117 T 3.8597 7.6607 109.1598 65.0237 68.7878 176.1504 118 C 4.2775 8.1106 119.7300 62.5158 28.0493 175.7873 119 Q 4.2650 8.0927 120.0982 58.7698 28.3418 178.3027 120 T 3.9716 7.3839 116.1270 66.6909 68.9216 176.6374 121 V 3.8614 7.6589 120.0381 66.0702 31.7151 177.9221 122 A 4.1013 8.5904 120.8230 55.2255 17.9196 179.2110 123 D 4.4464 7.6525 116.4706 57.3458 40.9933 178.4841 124 M 4.2356 7.8821 118.7608 57.8988 32.0631 178.2900 125 I 4.3647 7.7389 119.5597 62.9403 38.0450 174.3703 126 K 4.1999 7.6374 121.1497 59.1966 31.8684 174.9202 127 G 3.6672 8.6260 115.2604 45.5721 0.0000 172.9081 128 K 4.4612 8.3345 119.2175 55.5650 32.9481 177.1960 129 T 4.4286 8.0500 111.5389 60.2614 71.5265 173.8493 130 P 4.2909 0.0000 0.0000 65.7743 31.2029 178.6408 131 E 3.9477 8.0863 117.4864 59.4903 29.9549 178.3670 132 E 4.0241 7.9629 118.5866 59.8597 29.2130 179.0931 133 I 4.1513 7.6509 119.9448 63.8961 37.6481 178.0365 134 R 4.1828 8.1704 117.0919 59.2845 29.2423 178.4556 135 T 4.0343 8.1928 118.1608 66.4936 68.2882 176.4428 136 T 4.4760 7.9646 111.6008 61.6548 70.0388 175.3937 137 F 4.5598 8.7507 117.3650 58.3272 45.3847 173.8246 138 N 4.1737 8.1435 117.9832 54.4074 36.4584 172.2799 139 I 4.4510 8.3941 118.7385 58.6505 40.0993 175.9895 140 K 4.0722 8.5994 125.4063 55.9571 32.7984 176.3537 141 N 4.2131 8.8108 123.6233 53.8884 39.1026 173.7903 142 D 4.8745 8.1580 123.9880 52.8669 40.0401 175.3789 143 F 4.8495 8.1957 119.6411 57.5220 39.5347 176.4096 144 T 4.0670 8.5304 117.2678 61.3616 70.4924 173.7639 145 P 4.3203 0.0000 0.0000 65.4116 31.3002 179.0162 146 E 3.9083 8.0885 117.4227 59.3418 29.4850 178.5968 147 E 3.8284 7.7192 117.4516 59.6396 29.6306 178.9892 148 E 3.2394 7.9971 118.9320 59.1752 29.5462 178.6822 149 E 3.7482 7.9809 119.2219 58.9564 29.7050 178.1971 150 E 3.7678 8.3387 119.8259 59.3526 29.6160 179.0808 151 V 3.4814 7.6168 118.1541 65.7903 31.6783 177.9422 152 R 3.6959 7.7117 118.4431 59.3396 29.9066 178.5429 153 R 2.8802 7.9804 118.0799 59.0238 30.0214 178.7898 154 E 3.7169 8.2708 118.4714 59.5873 29.2764 179.2533 155 N 4.3930 8.2167 115.3980 55.6796 38.6737 176.4910 156 Q 4.5277 7.6405 116.1140 55.6430 30.3518 176.9187 157 W 4.8043 7.9756 118.6489 57.4534 30.3640 176.1947 158 A 4.2411 7.7241 118.6156 52.9619 19.8450 177.5273 159 F 4.9185 8.8903 120.8357 56.4173 38.6230 175.9254 160 E 4.7428 8.8302 124.6580 55.5192 29.9985 176.4553 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 5 K 8.31 4.62 0.00 1.67 1.96 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 9.01 4.51 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.32 0.93 0.00 0.00 7 V 9.01 4.87 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 1.38 0.00 0.00 0.96 0.00 0.00 8 L 8.64 4.97 0.00 1.66 1.59 0.90 0.95 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 9 K 8.81 4.59 0.00 1.78 1.83 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.43 7.81 10 S 8.46 4.65 0.00 4.03 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 11 S 8.73 4.22 0.00 3.95 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 12 D 7.31 4.91 0.00 2.81 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.24 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 14 E 7.81 4.74 0.00 2.04 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 2.34 2.52 0.00 15 S 8.52 4.50 0.00 3.74 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 16 F 8.65 4.56 0.00 3.18 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.95 4.37 0.00 1.97 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 2.30 2.42 0.00 18 V 8.55 4.67 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 0.76 0.00 0.00 1.04 0.00 0.00 19 E 8.65 4.41 0.00 1.93 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 0.00 2.30 2.35 0.00 20 E 8.16 3.99 0.00 2.07 1.84 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 2.37 2.43 0.00 21 A 7.56 4.29 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 22 V 7.57 3.76 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 1.05 0.00 0.00 0.90 0.00 0.00 23 A 7.51 4.34 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 24 L 7.64 4.40 0.00 1.71 1.69 0.91 0.95 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 25 E 7.69 4.04 0.00 2.12 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 2.36 0.00 26 S 7.43 4.48 0.00 3.85 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 27 Q 8.60 4.24 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.39 6.51 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 28 T 7.78 4.11 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 1.01 0.00 0.00 29 I 7.90 4.09 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 1.18 0.69 0.90 0.00 0.00 30 A 8.02 3.96 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 31 H 7.69 4.58 0.00 3.37 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.86 4.86 0.00 1.96 2.08 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 2.47 2.46 0.00 33 V 7.49 4.20 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 0.82 0.00 0.00 1.01 0.00 0.00 34 E 7.45 4.15 0.00 1.96 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 2.29 2.22 0.00 35 D 7.72 4.59 0.00 2.77 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 36 D 7.83 4.63 0.00 2.78 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 37 C 8.45 4.49 0.00 3.01 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 38 V 7.62 3.77 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 1.00 0.00 0.00 0.96 0.00 0.00 39 D 7.48 4.35 0.00 2.72 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.10 4.69 0.00 2.72 2.84 0.00 0.00 6.91 7.65 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 41 G 7.74 4.06 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 0.00 0.00 0.00 42 V 8.12 3.77 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 0.84 0.00 0.00 0.93 0.00 0.00 43 P 0.00 4.94 0.00 2.00 2.06 0.00 3.64 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 44 L 8.58 4.86 0.00 2.05 1.90 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.42 0.00 2.08 2.13 0.00 3.73 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 2.07 2.15 0.00 46 N 8.09 4.72 0.00 1.52 1.99 0.00 0.00 6.58 7.82 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 47 V 7.36 4.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.16 0.00 0.00 48 T 8.37 4.16 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 1.26 0.00 0.00 49 S 8.70 4.27 0.00 4.49 3.95 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 50 K 8.09 4.04 0.00 1.90 1.81 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.56 7.81 51 I 7.61 3.77 2.00 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 1.52 1.03 0.97 0.00 0.00 52 L 7.99 3.85 0.00 1.64 1.61 0.68 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.81 4.00 1.60 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 0.00 0.00 54 K 7.77 4.25 0.00 2.07 2.10 0.00 1.63 0.00 0.00 1.44 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.68 1.54 7.81 55 V 7.90 3.78 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.03 0.00 0.00 56 I 7.74 3.79 1.94 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.59 0.96 0.00 0.00 57 E 8.24 4.12 0.00 2.20 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 2.65 2.53 0.00 58 Y 7.70 4.02 0.00 2.76 3.14 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 59 C 8.12 3.87 0.00 3.04 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 60 K 8.35 3.72 0.00 1.97 1.91 0.00 1.52 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.43 7.81 61 R 7.20 3.65 0.00 1.07 1.62 0.00 2.85 0.00 0.00 2.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 62 H 7.87 4.09 0.00 2.89 3.14 0.00 5.89 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 63 V 7.94 3.60 2.16 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 0.98 0.00 0.00 0.95 0.00 0.00 64 E 7.59 4.29 0.00 2.04 1.83 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 2.25 2.26 0.00 65 A 7.29 4.42 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 66 A 7.41 4.08 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 67 A 7.44 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 *80 D 8.63 4.62 0.00 2.75 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 81 D 8.08 4.43 0.00 2.76 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 82 D 7.95 4.67 0.00 2.73 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 83 L 7.68 4.08 0.00 1.70 1.75 0.80 0.82 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 84 K 7.65 4.32 0.00 2.04 1.92 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.52 7.81 85 A 7.42 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.20 4.24 0.00 3.49 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 87 D 9.00 4.36 0.00 3.06 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 88 A 7.57 4.00 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 89 D 8.02 4.32 0.00 2.91 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.01 3.87 0.00 1.82 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 91 M 7.33 3.95 0.00 1.93 2.14 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.75 0.00 92 K 7.25 4.19 0.00 1.73 1.70 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.45 7.81 93 I 6.85 4.53 1.68 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.64 0.00 0.00 94 D 8.03 4.54 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 95 Q 8.24 3.34 0.00 1.87 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 96 A 7.83 3.94 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 97 T 7.54 3.82 4.38 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 1.08 0.00 0.00 98 L 7.47 3.77 0.00 1.51 1.38 0.84 0.98 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 99 F 7.89 4.57 0.00 3.08 2.93 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 0.00 100 E 7.99 4.12 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 2.49 2.52 0.00 101 L 7.65 4.05 0.00 1.90 1.68 0.77 1.21 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 0.00 102 I 7.49 3.73 2.06 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 1.56 0.90 0.93 0.00 0.00 103 L 8.07 4.02 0.00 1.87 1.73 0.93 0.81 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 0.00 104 A 7.74 4.14 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 0.00 105 A 8.75 3.95 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 0.00 106 N 8.04 4.58 0.00 2.82 2.89 0.00 0.00 7.16 7.57 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 0.00 107 Y 7.71 4.37 0.00 3.05 3.17 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 0.00 108 L 8.27 4.31 0.00 1.66 1.43 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.30 4.94 0.00 2.59 2.74 0.00 0.00 6.77 7.94 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 0.00 110 I 7.75 4.25 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.46 1.07 0.00 0.00 111 K 8.42 3.99 0.00 1.81 1.83 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.46 7.81 112 N 8.20 4.17 0.00 3.01 3.12 0.00 0.00 5.92 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 0.00 113 L 7.83 4.24 0.00 1.74 1.89 0.18 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.76 4.67 0.00 1.68 1.58 0.93 1.74 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 0.00 115 D 7.72 4.58 0.00 2.55 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 0.00 116 L 7.60 4.51 0.00 1.81 1.62 0.96 0.97 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 0.00 117 T 7.66 3.86 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 1.12 0.00 0.00 118 C 8.11 4.28 0.00 3.16 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 0.00 119 Q 8.09 4.27 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 120 T 7.38 3.97 4.45 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 1.19 0.00 0.00 121 V 7.66 3.86 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 1.20 0.00 0.00 122 A 8.59 4.10 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 0.00 123 D 7.65 4.45 0.00 2.84 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 0.00 124 M 7.88 4.24 0.00 2.06 2.50 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.52 0.00 125 I 7.74 4.36 1.92 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 1.93 1.07 0.95 0.00 0.00 126 K 7.64 4.20 0.00 1.79 1.85 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.63 7.81 127 G 8.63 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 0.00 128 K 8.33 4.46 0.00 1.79 1.79 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.46 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.59 7.81 129 T 8.05 4.43 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 1.28 0.00 0.00 130 P 0.00 4.29 0.00 2.21 2.22 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 131 E 8.09 3.95 0.00 2.10 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 2.39 2.47 0.00 132 E 7.96 4.02 0.00 2.21 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 2.35 2.39 0.00 133 I 7.65 4.15 2.06 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.78 1.01 0.00 0.00 134 R 8.17 4.18 0.00 2.19 2.16 0.00 2.91 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.86 0.00 135 T 8.19 4.03 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 136 T 7.96 4.48 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 1.21 0.00 0.00 137 F 8.75 4.56 0.00 3.22 3.04 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 0.00 138 N 8.14 4.17 0.00 2.81 2.84 0.00 0.00 6.83 7.94 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 0.00 139 I 8.39 4.45 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.88 0.84 0.00 0.00 140 K 8.60 4.07 0.00 1.84 1.82 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.37 7.81 141 N 8.81 4.21 0.00 2.70 2.79 0.00 0.00 7.02 8.47 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 0.00 142 D 8.16 4.87 0.00 2.70 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 0.00 143 F 8.20 4.85 0.00 3.25 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 0.00 144 T 8.53 4.07 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 1.31 0.00 0.00 145 P 0.00 4.32 0.00 2.17 2.14 0.00 3.61 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 2.12 2.19 0.00 146 E 8.09 3.91 0.00 2.04 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 2.39 2.45 0.00 147 E 7.72 3.83 0.00 2.27 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 2.36 2.36 0.00 148 E 8.00 3.24 0.00 1.93 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 2.20 2.12 0.00 149 E 7.98 3.75 0.00 2.21 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 2.14 2.20 0.00 150 E 8.34 3.77 0.00 2.11 1.84 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 2.26 2.29 0.00 151 V 7.62 3.48 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 0.91 0.00 0.00 0.75 0.00 0.00 152 R 7.71 3.70 0.00 1.86 1.79 0.00 3.02 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 153 R 7.98 2.88 0.00 1.82 1.62 0.00 2.65 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 0.96 0.50 0.00 154 E 8.27 3.72 0.00 2.09 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 0.00 2.32 2.41 0.00 155 N 8.22 4.39 0.00 2.80 2.85 0.00 0.00 6.97 7.25 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 0.00 156 Q 7.64 4.53 0.00 1.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 157 W 7.98 4.80 0.00 3.41 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 0.00 158 A 7.72 4.24 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 0.00 159 F 8.89 4.92 0.00 3.10 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 0.00 160 E 8.83 4.74 0.00 2.09 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 2.12 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.