NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.4872 8.4331 120.3826 55.9715 31.0309 170.8123 *2 G 3.9567 8.0994 108.7495 45.7089 0.0000 172.2534 3 D 4.8505 8.7012 117.4832 53.5229 39.6681 176.2541 4 T 4.5481 7.7735 116.4090 62.4555 71.8157 172.6511 5 F 5.0286 8.0564 119.8478 56.4325 41.3666 172.4305 6 I 4.1334 8.2654 119.8994 60.0457 37.6392 176.3184 7 R 4.3964 8.7326 126.0369 58.3765 31.2916 176.3640 8 H 4.8175 7.5876 116.2217 54.9293 33.5176 172.4217 9 I 4.9233 7.8179 123.6289 59.3442 40.4514 174.4236 10 A 4.7381 8.6885 128.3811 49.7147 21.9032 175.1144 11 L 4.1952 8.6270 124.5705 54.7422 42.6499 176.5029 12 L 4.2650 8.6885 126.5343 54.8422 42.6478 177.6766 13 G 3.8712 6.6702 104.8836 45.8141 0.0000 170.3464 14 F 5.0952 7.4022 115.6402 55.3831 41.5789 174.1327 15 E 4.8724 9.2359 117.9809 54.5537 34.0002 174.6686 16 K 4.3070 8.7862 124.0194 55.7703 33.4063 175.9900 17 R 4.6497 8.3625 125.7135 54.4987 32.8899 176.3835 18 F 4.5779 8.8721 118.1209 56.9109 41.0925 175.1923 19 V 4.6680 7.5240 119.9779 60.1462 33.6139 173.7365 20 P 4.4179 0.0000 0.0000 65.1031 31.5037 175.5686 21 S 4.6464 7.3340 109.5071 57.7243 65.1761 173.0089 22 Q 4.0742 8.4957 120.0581 56.7390 28.7130 175.6728 23 H 4.7551 8.5094 119.0145 54.6125 32.8292 171.5842 24 Y 4.9910 8.4045 115.9538 56.2789 39.9312 175.8835 25 V 4.5074 8.4563 116.8132 60.2770 35.0144 175.4187 26 Y 5.0610 8.5104 122.0237 56.2682 41.2858 173.9893 *28 F 4.8759 8.4373 118.0541 58.3202 41.2385 174.0389 29 L 4.7424 9.0490 126.3640 54.0992 43.3650 175.2459 30 V 4.5408 8.7449 127.8904 61.0981 33.5480 174.1485 31 K 4.9261 8.7992 130.6726 55.1550 33.8683 176.4023 32 W 4.6860 9.4000 128.6313 55.1860 31.1679 177.2392 33 Q 3.6139 8.3998 118.3053 59.4578 27.6781 177.2033 34 D 4.5569 8.0204 115.1632 52.7665 39.4205 176.6833 35 L 3.7064 7.9330 117.7200 55.3593 40.2700 175.0386 36 S 4.4268 8.0026 113.9491 58.4496 63.5723 172.9175 37 E 5.8972 8.4041 119.9129 53.8055 33.0390 175.1112 38 K 4.7917 8.7448 121.6786 54.6694 36.9167 175.0643 39 V 4.6583 8.4556 122.7973 61.8821 32.6368 175.4141 40 V 4.7311 8.6550 120.5855 59.7576 35.0223 174.5875 41 Y 5.0790 8.8170 120.5240 56.4971 40.1616 175.4801 42 R 4.9749 9.3695 123.1018 54.5430 34.8993 175.5885 43 R 4.8521 9.0794 122.3878 55.7121 31.2321 177.5649 44 F 4.2643 9.2249 121.9501 61.8764 39.3756 177.6504 45 T 3.9420 8.1417 115.0305 66.7103 68.2911 176.2495 46 E 4.1272 8.2741 120.0256 59.4427 29.5000 179.3056 47 I 3.5358 7.6853 119.6342 64.4088 37.0918 177.8670 48 Y 3.7212 7.7057 120.3863 60.5975 38.5818 177.8875 49 E 3.8525 8.1588 119.4830 59.1932 29.5434 179.0671 50 F 3.8856 7.9134 120.7410 61.2886 39.3101 176.6004 51 H 3.8213 8.2407 118.0474 59.2413 29.7845 177.3975 52 K 3.6967 7.6715 120.2246 59.6269 31.5570 179.5729 53 T 3.7227 7.3944 115.2214 66.1619 68.3644 176.1549 54 L 4.0289 7.2529 121.3353 58.2149 42.1431 178.8700 55 K 4.1181 7.5475 116.7942 59.3309 31.9873 179.9638 56 E 4.0740 7.5356 115.9038 56.0164 30.9478 177.8650 *58 F 4.5798 7.8453 116.3163 56.7233 39.8943 173.8173 59 P 4.2657 0.0000 0.0000 65.5275 31.6420 178.3575 60 I 3.6973 7.6883 117.9632 64.5846 37.2155 178.2091 61 E 4.0943 8.2823 117.9056 58.2646 29.1555 177.9079 62 A 4.5227 7.7442 119.3260 51.2377 18.9031 177.5753 63 G 3.8300 8.0211 105.6999 46.2346 0.0000 175.9830 64 A 4.0584 7.7509 124.1904 54.1990 18.0915 179.2383 65 I 3.8060 7.0865 116.9071 61.3909 38.0414 174.9824 66 N 4.7678 7.7299 124.4595 51.3380 39.6349 173.8608 67 P 4.4863 0.0000 0.0000 64.9386 31.5465 177.9065 68 E 4.1233 8.2704 115.8907 58.6839 29.6293 177.0166 69 N 4.7141 7.8875 115.0506 52.9592 38.5700 174.9245 70 R 4.2480 7.8507 120.1724 56.1933 30.5075 175.9602 71 I 4.4098 8.2578 117.5672 60.6790 39.5012 176.1528 72 I 3.7691 7.5999 122.7046 60.1707 37.4431 174.1064 73 P 4.4607 0.0000 0.0000 62.9190 31.8724 175.6970 74 H 4.7014 8.5928 116.7756 55.4916 29.6024 175.0346 75 L 4.7497 8.3059 123.5666 52.7170 44.5855 174.2719 76 P 4.5231 0.0000 0.0000 62.2996 32.2118 176.2484 77 A 3.4501 8.8526 124.6465 51.2435 19.3085 176.6463 78 P 4.6047 0.0000 0.0000 65.7165 31.5363 178.9821 79 K 3.9295 7.7256 115.5653 58.9496 32.4037 177.6536 80 W 4.3187 7.6912 118.2428 57.5581 29.1568 175.8532 81 F 4.8339 7.8141 118.0377 55.6468 39.8371 174.0331 82 D 4.5395 8.4365 124.2953 52.7713 41.8560 174.5941 83 G 3.8503 8.6467 106.9297 44.8338 0.0000 173.5744 84 Q 4.2111 8.4283 114.7727 57.4464 29.2399 176.6053 85 R 4.7354 7.9210 116.9392 55.2158 30.7694 177.6850 86 A 3.9208 7.6918 122.2922 55.2546 17.9878 180.3387 87 A 3.7687 7.0597 118.6339 54.6585 18.3921 179.2520 88 E 4.0912 7.4549 116.4671 59.6632 29.3835 179.2537 89 N 4.3857 7.8803 115.5400 55.9382 38.9134 177.1180 90 R 3.3349 7.2616 118.3171 57.4194 30.0389 178.7189 91 Q 4.0542 7.9834 119.1797 58.9274 28.7694 178.7964 92 G 3.7055 8.0294 106.2233 48.0473 0.0000 175.6880 93 T 3.9853 7.8594 117.5963 66.5532 68.5081 176.6188 94 L 4.2365 8.0235 120.8781 57.8148 41.6667 179.5036 95 T 3.9324 8.4894 116.2267 66.8464 68.4736 176.2152 96 E 4.0105 8.2561 121.0456 59.2477 29.5879 178.0810 97 Y 4.0771 8.2844 119.6660 61.0653 38.6875 178.0238 98 C 4.1594 8.3228 116.5796 62.7347 28.2972 176.0424 99 S 4.2320 7.7315 114.3931 61.7030 62.7950 176.2531 100 T 3.9735 7.5631 118.4485 66.0681 68.5135 176.0832 101 L 3.5770 7.4845 121.4947 56.2871 42.6715 178.1758 *103 S 4.3219 7.8296 109.1280 57.1862 64.5978 173.7062 104 L 4.2499 7.4843 120.9405 53.4524 42.3916 175.5415 105 P 4.2929 0.0000 0.0000 63.0682 33.1865 177.7720 106 T 3.9615 8.4038 112.6672 64.2246 68.2183 176.1350 107 K 3.7675 7.9459 121.0864 59.1254 32.2009 177.3457 108 I 3.7024 7.0976 118.1872 63.0326 38.2554 178.0773 109 S 4.2819 8.1342 114.6712 60.2716 62.4093 175.4483 110 R 4.8849 7.6504 120.9556 55.5202 30.9512 176.0097 111 C 4.4637 8.0094 114.3291 57.7200 31.5450 172.1500 112 P 4.3844 0.0000 0.0000 66.1960 30.8497 178.3824 113 H 4.2886 8.3946 116.4762 59.2488 29.9369 176.8618 114 L 4.3487 8.1745 121.4614 58.3971 41.9009 178.4528 115 L 4.2052 8.0055 117.5077 58.1496 41.7074 178.8671 116 D 4.5857 8.8467 118.1366 57.3804 41.0039 177.8472 117 F 4.0037 8.2475 120.0324 61.0769 39.3767 176.2495 118 F 4.4326 7.7237 113.3379 56.5922 39.4759 176.3415 119 K 4.4451 7.4240 119.0841 55.7483 32.5427 177.1511 120 V 3.6435 8.3828 121.7971 63.6754 31.8068 176.0791 121 R 4.4160 8.2891 125.2847 54.4583 31.3004 174.6008 122 P 4.4340 0.0000 0.0000 62.3376 32.0527 176.6068 123 D 4.5273 8.5927 119.6763 54.8833 40.6714 176.5284 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 0 H 8.43 4.49 0.00 3.06 3.32 0.00 5.92 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 *2 G 8.10 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 0.00 0.00 0.00 3 D 8.70 4.85 0.00 2.83 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 4 T 7.77 4.55 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 1.32 0.00 0.00 5 F 8.06 5.03 0.00 3.08 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 6 I 8.27 4.13 1.52 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.55 0.00 0.00 7 R 8.73 4.40 0.00 1.64 1.99 0.00 3.21 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 8 H 7.59 4.82 0.00 3.08 3.02 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 9 I 7.82 4.92 1.54 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.31 0.69 0.00 0.00 10 A 8.69 4.74 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 11 L 8.63 4.20 0.00 1.65 1.62 0.53 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.69 4.27 0.00 1.56 1.63 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 13 G 6.67 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 14 F 7.40 5.10 0.00 2.60 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.24 4.87 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 16 K 8.79 4.31 0.00 1.79 1.61 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.41 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.30 0.40 7.81 17 R 8.36 4.65 0.00 1.14 1.54 0.00 3.22 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.56 0.00 18 F 8.87 4.58 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 19 V 7.52 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 0.86 0.00 0.00 0.97 0.00 0.00 20 P 0.00 4.42 0.00 2.08 2.11 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 21 S 7.33 4.65 0.00 3.94 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 22 Q 8.50 4.07 0.00 1.87 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 23 H 8.51 4.76 0.00 3.20 3.30 0.00 5.41 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.40 4.99 0.00 2.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.46 4.51 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 0.86 0.00 0.00 1.09 0.00 0.00 26 Y 8.51 5.06 0.00 3.30 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 *28 F 8.44 4.88 0.00 3.18 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 29 L 9.05 4.74 0.00 1.73 1.57 1.00 0.74 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 30 V 8.74 4.54 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 0.34 0.00 0.00 1.04 0.00 0.00 31 K 8.80 4.93 0.00 1.83 1.60 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.42 7.81 32 W 9.40 4.69 0.00 3.38 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 33 Q 8.40 3.61 0.00 1.25 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.29 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 34 D 8.02 4.56 0.00 2.80 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 35 L 7.93 3.71 0.00 1.86 1.86 0.93 0.92 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 36 S 8.00 4.43 0.00 4.08 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 37 E 8.40 5.90 0.00 1.86 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 2.24 2.20 0.00 38 K 8.74 4.79 0.00 1.86 1.75 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.75 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.46 1.50 7.81 39 V 8.46 4.66 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 0.30 0.00 0.00 0.91 0.00 0.00 40 V 8.65 4.73 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 0.95 0.00 0.00 1.11 0.00 0.00 41 Y 8.82 5.08 0.00 2.79 2.90 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 42 R 9.37 4.97 0.00 2.04 1.91 0.00 2.48 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.30 0.00 43 R 9.08 4.85 0.00 2.07 2.03 0.00 3.04 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.70 0.00 44 F 9.22 4.26 0.00 3.28 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 45 T 8.14 3.94 4.34 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 1.29 0.00 0.00 46 E 8.27 4.13 0.00 2.40 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 2.52 2.51 0.00 47 I 7.69 3.54 1.69 0.00 0.00 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 1.63 1.13 0.78 0.00 0.00 48 Y 7.71 3.72 0.00 2.67 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 49 E 8.16 3.85 0.00 2.20 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 2.60 2.51 0.00 50 F 7.91 3.89 0.00 1.96 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.24 3.82 0.00 3.17 3.02 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.67 3.70 0.00 1.72 1.66 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.06 0.83 7.81 53 T 7.39 3.72 4.14 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 0.86 0.00 0.00 54 L 7.25 4.03 0.00 1.09 1.55 1.02 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.55 4.12 0.00 1.76 1.77 0.00 1.60 0.00 0.00 1.35 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.30 7.81 56 E 7.54 4.07 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 *58 F 7.85 4.58 0.00 3.14 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 59 P 0.00 4.27 0.00 2.14 2.09 0.00 3.58 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 2.07 2.25 0.00 60 I 7.69 3.70 1.91 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 1.65 0.78 0.92 0.00 0.00 61 E 8.28 4.09 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 62 A 7.74 4.52 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 63 G 8.02 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 0.00 0.00 0.00 64 A 7.75 4.06 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 65 I 7.09 3.81 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.57 0.91 0.00 0.00 66 N 7.73 4.77 0.00 2.78 2.69 0.00 0.00 6.91 7.71 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 67 P 0.00 4.49 0.00 2.09 2.14 0.00 3.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 68 E 8.27 4.12 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 69 N 7.89 4.71 0.00 2.87 2.83 0.00 0.00 6.93 7.67 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 70 R 7.85 4.25 0.00 1.86 1.85 0.00 3.27 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 1.57 1.64 0.00 71 I 8.26 4.41 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.77 0.88 0.00 0.00 72 I 7.60 3.77 1.83 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 1.36 0.55 0.88 0.00 0.00 73 P 0.00 4.46 0.00 2.20 1.98 0.00 3.60 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.56 0.00 74 H 8.59 4.70 0.00 3.25 3.36 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.31 4.75 0.00 1.26 1.18 0.81 0.47 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 76 P 0.00 4.52 0.00 2.19 1.87 0.00 4.03 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.10 0.00 77 A 8.85 3.45 1.19 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 0.00 0.00 0.00 78 P 0.00 4.60 0.00 2.17 2.33 0.00 2.93 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.15 0.00 79 K 7.73 3.93 0.00 1.50 1.69 0.00 0.91 0.00 0.00 1.34 0.00 0.00 2.60 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.88 0.29 7.81 80 W 7.69 4.32 0.00 2.87 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 81 F 7.81 4.83 0.00 2.91 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 82 D 8.44 4.54 0.00 2.73 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 83 G 8.65 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 0.00 0.00 0.00 0.00 84 Q 8.43 4.21 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 7.41 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 85 R 7.92 4.74 0.00 1.85 1.89 0.00 3.42 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 86 A 7.69 3.92 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 87 A 7.06 3.77 -0.59 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 0.00 0.00 0.00 88 E 7.45 4.09 0.00 2.14 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 2.50 2.74 0.00 89 N 7.88 4.39 0.00 2.88 3.04 0.00 0.00 7.10 7.40 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 90 R 7.26 3.33 0.00 1.17 0.96 0.00 2.34 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.05 0.00 91 Q 7.98 4.05 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.61 2.79 0.00 92 G 8.03 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 93 T 7.86 3.99 4.42 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 1.39 0.00 0.00 94 L 8.02 4.24 0.00 1.80 1.88 0.37 0.77 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 95 T 8.49 3.93 4.49 0.00 0.00 0.00 0.00 0.00 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 96 E 8.26 4.01 0.00 2.28 2.05 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 2.36 2.36 0.00 97 Y 8.28 4.08 0.00 3.37 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 C 8.32 4.16 0.00 3.19 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 99 S 7.73 4.23 0.00 4.03 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 0.00 100 T 7.56 3.97 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 1.14 0.00 0.00 101 L 7.48 3.58 0.00 1.73 1.63 0.78 0.80 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 *103 S 7.83 4.32 0.00 4.00 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 0.00 104 L 7.48 4.25 0.00 1.63 1.48 0.76 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.29 0.00 2.05 1.91 0.00 3.48 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 106 T 8.40 3.96 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 1.07 0.00 0.00 107 K 7.95 3.77 0.00 1.73 1.83 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.30 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.58 1.65 7.81 108 I 7.10 3.70 1.61 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.24 0.51 0.00 0.00 109 S 8.13 4.28 0.00 3.96 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 7.65 4.88 0.00 1.78 2.00 0.00 2.87 0.00 0.00 2.80 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 111 C 8.01 4.46 0.00 3.43 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 0.00 112 P 0.00 4.38 0.00 2.28 2.27 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 113 H 8.39 4.29 0.00 3.31 3.46 0.00 5.87 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.17 4.35 0.00 2.07 2.02 1.13 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.01 4.21 0.00 2.04 2.11 1.29 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.85 4.59 0.00 2.95 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 0.00 117 F 8.25 4.00 0.00 2.94 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 0.00 118 F 7.72 4.43 0.00 3.03 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 0.00 119 K 7.42 4.45 0.00 1.97 1.76 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.97 7.81 120 V 8.38 3.64 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 0.82 0.00 0.00 1.00 0.00 0.00 121 R 8.29 4.42 0.00 1.85 1.84 0.00 3.24 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 122 P 0.00 4.43 0.00 2.04 1.98 0.00 3.69 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 2.03 2.10 0.00 123 D 8.59 4.53 0.00 2.66 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 * Residues marked with a * may have inaccurate shift predictions.