NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3004 8.3344 115.2898 57.4526 64.3383 173.0092 3 L 4.2066 7.7380 122.2066 53.2709 42.4700 174.2218 4 I 3.8971 8.9422 129.1270 60.3214 38.5622 173.5826 5 P 4.1490 0.0000 0.0000 62.1263 31.8730 175.6852 6 K 4.6147 7.6605 123.5666 54.8322 35.8466 174.6686 7 F 5.5938 9.0527 124.5557 55.7210 43.2319 173.8232 8 R 5.2131 8.9329 116.3104 54.4505 33.1855 173.9007 9 A 5.0686 8.7743 120.8163 50.0469 22.2891 175.3883 10 W 4.6982 9.1250 132.5198 56.5531 32.6547 174.5995 11 D 4.6299 8.1162 128.2581 52.7087 40.9663 176.8423 12 T 3.7248 8.3007 118.3645 64.4585 68.9335 175.6877 13 Y 4.0896 7.7862 122.7063 60.2160 39.0258 175.9208 14 E 4.0288 8.3274 116.5924 56.0189 30.4400 176.1322 15 K 3.3584 7.3876 117.6619 56.8142 30.8443 173.6874 16 E 4.0997 5.9000 123.6254 55.2099 34.2597 176.4097 *18 L 4.3761 8.5458 116.9481 54.6112 43.2275 175.8626 19 E 4.6185 8.8964 122.5372 54.7891 31.5804 175.3145 20 N 4.2442 8.3716 116.3912 54.6534 36.0698 174.4395 21 V 4.4847 7.8145 109.7960 60.6774 34.4605 177.9934 22 T 4.6881 8.9771 119.9842 61.1572 70.5795 171.9354 23 P 4.6492 0.0000 0.0000 62.3808 32.8590 175.6244 24 L 4.8201 8.7837 122.7010 53.0343 44.3452 175.4974 25 F 5.1065 8.8121 122.0028 55.3997 42.3587 175.1113 26 D 4.6432 8.6882 121.7625 52.5500 41.4759 176.1203 27 D 4.6621 8.4521 116.0646 54.8289 40.4930 176.7141 28 S 4.6015 7.8018 112.8178 58.3149 62.8970 174.4275 29 N 4.5592 8.7721 113.0602 53.3710 37.0007 175.3472 30 S 4.8319 8.1696 115.5313 58.6186 62.7734 176.6810 *32 I 3.8375 8.2668 118.8968 61.4962 39.8227 174.8064 33 A 4.8989 7.4613 123.1532 51.1494 23.3918 174.7444 34 I 4.9371 8.8289 118.4593 59.5494 42.0891 173.7159 35 I 4.9109 8.9898 130.2039 60.0900 38.6599 176.1346 36 T 4.7389 8.8303 117.0024 62.2989 70.4108 174.5161 37 D 4.9449 8.0079 121.0331 53.4179 45.3941 174.1763 38 F 5.4371 8.0676 115.8323 56.3342 41.0151 172.8738 39 Q 4.5733 9.1793 117.3644 54.3612 33.4660 174.0981 40 I 4.9841 8.3673 121.5810 60.0491 38.8951 175.5008 41 K 4.6899 9.5070 125.4291 53.8236 36.7174 175.6607 42 G 4.7991 7.7758 117.0759 46.3843 0.0000 172.1426 43 S 4.7718 8.6850 118.0223 56.9903 63.7104 171.4867 44 P 4.6243 0.0000 0.0000 61.6052 32.6402 176.3341 45 G 3.5828 8.7325 109.9996 49.1575 0.0000 174.0862 46 T 4.1672 7.6193 113.7823 60.7330 68.4026 173.2415 47 S 4.5414 8.6191 118.4736 59.3817 63.2951 173.3522 48 E 4.7583 9.5752 121.8546 54.7144 33.8180 173.8330 49 I 4.6106 8.3012 124.4648 60.4268 38.4586 175.2493 50 E 4.4521 9.4451 130.0705 54.3786 30.4097 174.6906 51 I 4.1723 8.2871 128.5427 61.7239 37.2125 176.3318 52 G 3.9318 9.3068 115.9421 48.5993 0.0000 174.0951 53 S 5.0658 7.8484 116.7897 56.6832 67.4665 172.4856 54 Y 5.1464 8.0013 119.9726 57.0392 40.5881 172.1231 55 D 4.9206 9.0257 118.3447 53.5008 45.4848 173.6462 56 T 5.0419 8.6641 110.8494 60.0139 72.2054 174.8228 57 T 3.8330 8.2692 117.2318 64.6432 67.5743 176.4134 58 F 4.4335 7.8844 119.4022 60.6538 38.9197 175.7849 59 N 4.6380 8.3807 115.4431 53.3857 38.6959 174.8599 60 W 5.2083 7.8516 117.6480 54.6881 33.3948 175.0109 61 D 4.5823 9.0117 120.9055 55.8235 39.2896 176.6263 62 E 4.6569 8.0721 119.1412 53.7891 32.4928 174.1198 63 F 4.3086 8.9976 129.1022 57.9841 40.0265 172.2786 64 P 4.3211 0.0000 0.0000 62.8362 32.3316 174.1585 65 Y 4.7804 6.9318 117.2954 56.5644 40.0774 175.0826 66 V 4.3393 8.7695 124.4609 61.4337 33.8135 175.5132 67 I 5.1261 8.2469 129.0531 59.5986 39.5259 174.5859 *69 Q 4.2474 8.3246 122.3836 56.1042 30.2850 174.7437 70 S 3.3385 8.2788 120.5122 57.9629 62.7627 174.6385 71 T 2.8835 7.8941 117.4100 62.0913 68.7834 175.9257 72 G 3.7038 7.6699 109.7509 45.6064 0.0000 173.3242 73 L 4.6393 7.4562 119.6947 52.8927 43.6097 175.6288 74 K 5.0347 8.5567 119.9400 54.5810 35.0729 176.4778 75 D 4.8373 8.6443 121.9316 51.9732 41.2791 177.0163 76 K 3.9372 8.5673 119.6341 59.3939 32.0716 177.2317 77 N 4.6779 8.4186 113.8996 52.8273 38.5486 175.5068 78 G 3.8848 8.3173 106.0807 45.6218 0.0000 173.9298 79 V 3.8805 8.1435 121.0143 62.1399 32.5583 175.0796 80 E 4.4609 8.9416 129.5297 56.4345 30.4534 175.5771 81 I 4.6964 8.7680 128.3019 60.1888 39.1466 174.9348 82 F 5.0998 9.7023 125.4300 54.9687 42.6290 174.8945 83 E 4.2204 8.6085 120.2930 58.7028 29.8960 177.9990 84 G 4.0460 9.1229 111.3527 45.2810 0.0000 173.3931 85 D 4.9190 7.9414 119.4909 54.7549 42.3708 175.5422 86 I 4.8741 8.9327 122.4114 59.7276 39.6167 174.7581 87 L 5.4712 8.9915 127.4981 53.3036 44.1895 176.4260 88 V 4.8190 8.7913 113.8896 59.5359 36.3287 174.3518 89 Y 3.6407 8.6161 124.6569 56.8192 39.1092 176.2760 90 D 4.2765 7.5010 128.6972 53.1661 39.7881 173.8447 91 A 4.5666 6.8042 123.6237 49.1570 22.1919 174.6936 92 P 4.2512 0.0000 0.0000 62.9860 31.7657 176.3549 93 K 4.1144 8.1069 119.7160 55.1763 32.5005 176.9720 94 K 4.1087 8.2415 125.7337 54.6188 31.2868 174.8234 95 Y 4.4386 7.9868 123.5837 59.4053 38.2595 176.5696 96 A 3.8217 9.0631 125.2362 53.1213 16.1453 176.7099 97 H 4.9238 7.7133 113.0842 54.5896 32.4907 173.7096 98 R 3.9284 8.5071 121.8484 56.5790 30.4374 175.8272 99 R 4.3908 8.2840 125.0667 54.8621 31.2378 176.1584 100 S 4.1421 8.2703 121.0245 58.5044 63.9242 173.0787 *102 H 4.7519 8.3855 116.8424 55.8527 29.8548 172.8716 103 E 4.6998 8.7755 124.9934 55.9862 31.2253 175.2150 104 I 4.4903 8.5434 126.7104 60.3217 39.2427 174.7648 105 A 4.9156 7.8867 126.6415 50.9596 23.6979 174.0190 106 Y 4.8801 8.3817 118.5752 55.9051 41.5321 174.2029 107 A 4.5863 8.6132 127.5848 52.2021 22.5902 175.4281 108 D 4.0886 9.7283 118.5126 55.2432 39.5690 174.6656 109 G 4.2764 9.1314 105.4083 44.9860 0.0000 173.7823 110 R 4.5489 6.8145 114.8628 54.2100 32.6372 174.5988 111 F 4.8046 8.5147 118.1067 57.6266 39.9740 174.7640 112 F 4.9788 8.4365 118.2831 55.2873 41.6714 172.8302 113 W 5.1619 8.5369 116.4905 54.8464 30.0493 175.5500 114 E 4.1968 8.9728 122.2174 56.2945 30.0568 176.3311 115 F 4.0276 8.2207 118.6775 58.2387 36.4931 175.3914 116 L 4.6205 7.6745 119.8371 53.3260 45.0605 175.3588 117 D 4.5402 8.6865 125.0724 55.8468 39.9776 177.0545 118 L 4.2734 7.6583 118.8518 54.3448 42.3333 176.6049 119 V 3.9773 8.2323 121.6675 62.2029 32.2489 175.5653 120 F 3.0934 8.6414 129.3101 58.0505 39.2904 174.3739 121 C 4.1223 7.0638 121.6276 55.9627 32.6154 174.3690 122 Q 3.6916 8.1352 121.9919 59.3074 28.6320 178.5059 123 S 4.1508 7.8468 114.7619 61.6238 62.8521 176.0766 124 N 4.5856 7.9542 118.6106 55.8891 38.6020 176.9885 125 I 4.2607 7.8819 121.5921 63.8263 36.9513 177.5404 126 L 4.5007 7.5420 116.8341 54.4127 42.8765 176.5645 127 Y 4.5077 7.6775 120.5495 58.6762 40.2931 176.1630 128 R 3.4444 7.8335 123.4995 57.6013 28.3407 178.4976 129 D 4.1824 9.1453 125.0103 56.0327 40.8979 177.3573 130 G 4.2103 8.3140 105.9082 45.5089 0.0000 171.6270 131 Y 5.1780 8.9305 116.1895 56.0865 41.1165 175.2702 132 L 5.3966 8.8995 121.8326 52.6489 45.9134 176.1556 133 V 4.3536 9.4289 123.8268 63.2240 31.5664 175.9064 134 I 4.3384 9.8879 120.8426 59.9099 39.0231 176.1298 135 G 3.8805 6.8676 107.7892 45.8534 0.0000 170.4949 136 N 5.3700 7.6296 115.8001 50.8421 40.4841 175.0883 137 I 3.6643 8.4368 111.8100 63.1968 37.8889 177.6036 138 H 3.9162 7.7838 117.2835 57.5899 29.4151 176.2916 139 E 3.4727 7.8982 117.6382 58.4368 30.0933 177.4311 140 N 5.0252 7.8296 115.2720 51.1262 38.6071 173.6105 141 P 4.5417 0.0000 0.0000 64.3972 32.2026 177.9287 142 E 4.6297 7.9791 116.4988 56.0977 30.0699 176.7931 143 L 4.1651 7.5351 119.9430 57.5576 42.0608 177.1568 144 L 4.1748 7.7531 121.1305 55.0035 41.5792 176.7965 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 4.30 0.00 3.84 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.74 4.21 0.00 1.74 1.57 0.95 0.89 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 4 I 8.94 3.90 1.81 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 1.39 0.62 0.89 0.00 0.00 5 P 0.00 4.15 0.00 2.14 2.03 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 6 K 7.66 4.61 0.00 1.68 1.35 0.00 1.85 0.00 0.00 2.06 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.55 7.81 7 F 9.05 5.59 0.00 3.33 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 8 R 8.93 5.21 0.00 1.83 1.61 0.00 2.48 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.52 0.00 9 A 8.77 5.07 1.25 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 0.00 0.00 0.00 10 W 9.13 4.70 0.00 3.31 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 11 D 8.12 4.63 0.00 2.56 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 0.00 0.00 0.00 0.00 12 T 8.30 3.72 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 1.31 0.00 0.00 13 Y 7.79 4.09 0.00 2.66 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 14 E 8.33 4.03 0.00 1.93 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 2.55 2.52 0.00 15 K 7.39 3.36 0.00 1.82 1.95 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.26 7.81 16 E 5.90 4.10 0.00 1.87 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 2.00 2.19 0.00 *18 L 8.55 4.38 0.00 1.66 1.68 0.95 0.84 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 19 E 8.90 4.62 0.00 1.86 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 2.24 2.27 0.00 20 N 8.37 4.24 0.00 2.87 2.93 0.00 0.00 6.92 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 21 V 7.81 4.48 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 0.72 0.00 0.00 1.07 0.00 0.00 22 T 8.98 4.69 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 23 P 0.00 4.65 0.00 2.20 1.92 0.00 3.45 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.10 0.00 24 L 8.78 4.82 0.00 1.63 1.48 0.88 0.74 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 25 F 8.81 5.11 0.00 2.84 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 26 D 8.69 4.64 0.00 2.81 2.82 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 27 D 8.45 4.66 0.00 2.70 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 28 S 7.80 4.60 0.00 3.81 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 29 N 8.77 4.56 0.00 2.98 3.03 0.00 0.00 7.01 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 30 S 8.17 4.83 0.00 4.20 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *32 I 8.27 3.84 1.64 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.51 0.85 0.00 0.00 33 A 7.46 4.90 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 34 I 8.83 4.94 1.73 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.43 0.31 0.00 0.00 35 I 8.99 4.91 1.88 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 1.29 0.44 1.15 0.00 0.00 36 T 8.83 4.74 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 37 D 8.01 4.94 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.07 5.44 0.00 3.14 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 39 Q 9.18 4.57 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.83 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 40 I 8.37 4.98 1.94 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.94 0.96 0.00 0.00 41 K 9.51 4.69 0.00 1.68 1.64 0.00 2.08 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.36 1.40 7.81 42 G 7.78 4.80 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 43 S 8.69 4.77 0.00 3.79 3.79 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 44 P 0.00 4.62 0.00 2.21 2.02 0.00 3.82 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 1.95 1.95 0.00 45 G 8.73 3.58 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 0.00 0.00 0.00 46 T 7.62 4.17 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 1.21 0.00 0.00 47 S 8.62 4.54 0.00 3.93 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 48 E 9.58 4.76 0.00 1.96 1.76 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 2.18 2.27 0.00 49 I 8.30 4.61 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.67 0.81 0.00 0.00 50 E 9.45 4.45 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 51 I 8.29 4.17 1.75 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.57 0.96 0.00 0.00 52 G 9.31 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 53 S 7.85 5.07 0.00 3.77 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 54 Y 8.00 5.15 0.00 3.06 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 55 D 9.03 4.92 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.66 5.04 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 57 T 8.27 3.83 3.59 0.00 0.00 0.00 0.00 0.00 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 58 F 7.88 4.43 0.00 2.91 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 59 N 8.38 4.64 0.00 3.16 2.45 0.00 0.00 6.77 7.29 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 60 W 7.85 5.21 0.00 3.37 3.35 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 61 D 9.01 4.58 0.00 2.86 2.87 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 62 E 8.07 4.66 0.00 1.96 1.90 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 2.19 2.33 0.00 63 F 9.00 4.31 0.00 2.91 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 64 P 0.00 4.32 0.00 1.17 1.35 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 65 Y 6.93 4.78 0.00 2.38 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 66 V 8.77 4.34 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 1.04 0.00 0.00 0.98 0.00 0.00 67 I 8.25 5.13 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.75 1.06 0.00 0.00 *69 Q 8.32 4.25 0.00 2.40 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 7.10 0.00 0.00 0.00 0.00 0.00 2.11 1.77 0.00 70 S 8.28 3.34 0.00 2.72 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.89 2.88 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 72 G 7.67 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.46 4.64 0.00 1.54 1.33 0.33 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.56 5.03 0.00 1.68 1.68 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.28 7.81 75 D 8.64 4.84 0.00 3.27 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 76 K 8.57 3.94 0.00 1.82 2.01 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.43 7.81 77 N 8.42 4.68 0.00 2.78 2.84 0.00 0.00 6.96 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 78 G 8.32 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 0.00 0.00 0.00 79 V 8.14 3.88 2.48 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 1.06 0.00 0.00 0.98 0.00 0.00 80 E 8.94 4.46 0.00 2.06 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 1.94 2.18 0.00 81 I 8.77 4.70 1.98 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 1.35 0.85 1.00 0.00 0.00 82 F 9.70 5.10 0.00 2.80 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 83 E 8.61 4.22 0.00 2.12 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 0.00 2.61 2.69 0.00 84 G 9.12 4.05 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 0.00 0.00 0.00 85 D 7.94 4.92 0.00 2.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 8.93 4.87 1.90 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 1.24 0.82 0.95 0.00 0.00 87 L 8.99 5.47 0.00 1.79 1.98 1.10 1.17 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 88 V 8.79 4.82 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 0.78 0.00 0.00 1.03 0.00 0.00 89 Y 8.62 3.64 0.00 2.49 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 90 D 7.50 4.28 0.00 2.43 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.80 4.57 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.25 0.00 1.96 1.91 0.00 3.62 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 1.97 2.05 0.00 93 K 8.11 4.11 0.00 1.36 1.62 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.34 7.81 94 K 8.24 4.11 0.00 1.71 1.69 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.56 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.35 7.81 95 Y 7.99 4.44 0.00 3.03 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 96 A 9.06 3.82 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.71 4.92 0.00 3.24 3.19 0.00 5.86 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.51 3.93 0.00 1.73 1.83 0.00 3.26 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 99 R 8.28 4.39 0.00 1.81 1.81 0.00 3.29 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 100 S 8.27 4.14 0.00 3.92 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 *102 H 8.39 4.75 0.00 3.20 3.45 0.00 5.61 0.00 0.00 0.00 0.00 6.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.78 4.70 0.00 2.09 1.81 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 2.31 2.32 0.00 104 I 8.54 4.49 1.89 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.66 0.46 0.00 0.00 105 A 7.89 4.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.38 4.88 0.00 2.77 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 0.00 107 A 8.61 4.59 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 9.73 4.09 0.00 2.62 2.51 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 0.00 109 G 9.13 4.28 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 0.00 110 R 6.81 4.55 0.00 1.99 1.89 0.00 2.72 0.00 0.00 3.04 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 111 F 8.51 4.80 0.00 3.27 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 0.00 112 F 8.44 4.98 0.00 3.10 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 0.00 113 W 8.54 5.16 0.00 3.21 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 0.00 114 E 8.97 4.20 0.00 1.78 1.18 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 2.54 2.40 0.00 115 F 8.22 4.03 0.00 3.31 3.10 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 0.00 116 L 7.67 4.62 0.00 1.01 0.96 0.66 -0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.69 4.54 0.00 2.85 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 0.00 118 L 7.66 4.27 0.00 1.88 1.95 1.12 0.99 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 0.00 119 V 8.23 3.98 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 0.78 0.00 0.00 0.98 0.00 0.00 120 F 8.64 3.09 0.00 1.82 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 0.00 121 C 7.06 4.12 0.00 2.94 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 0.00 122 Q 8.14 3.69 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 123 S 7.85 4.15 0.00 4.02 4.05 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 0.00 124 N 7.95 4.59 0.00 2.80 3.24 0.00 0.00 6.92 7.45 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 0.00 125 I 7.88 4.26 1.99 0.00 0.00 0.22 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 0.28 1.09 0.00 0.00 126 L 7.54 4.50 0.00 1.73 1.80 0.94 0.87 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 0.00 127 Y 7.68 4.51 0.00 3.21 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 0.00 128 R 7.83 3.44 0.00 2.11 1.60 0.00 3.21 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.75 0.00 129 D 9.15 4.18 0.00 1.68 2.35 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 0.00 130 G 8.31 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Y 8.93 5.18 0.00 3.25 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.90 5.40 0.00 1.58 1.56 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 133 V 9.43 4.35 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 0.85 0.00 0.00 1.05 0.00 0.00 134 I 9.89 4.34 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.84 0.95 0.00 0.00 135 G 6.87 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 0.00 0.00 0.00 136 N 7.63 5.37 0.00 2.97 3.03 0.00 0.00 5.74 7.72 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 0.00 137 I 8.44 3.66 1.71 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.25 0.96 0.00 0.00 138 H 7.78 3.92 0.00 2.63 1.33 0.00 5.71 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 0.00 139 E 7.90 3.47 0.00 1.77 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 2.47 2.25 0.00 140 N 7.83 5.03 0.00 2.76 2.66 0.00 0.00 6.69 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 0.00 141 P 0.00 4.54 0.00 2.12 2.07 0.00 3.28 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 142 E 7.98 4.63 0.00 1.93 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 2.19 2.27 0.00 143 L 7.54 4.17 0.00 1.66 1.70 0.91 0.91 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 0.00 144 L 7.75 4.17 0.00 1.64 1.61 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.