NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3439 8.2493 123.5830 52.5117 19.9449 176.3442 2 T 4.5267 8.3300 110.2084 61.2713 71.0105 172.3706 3 K 5.3541 8.3060 123.2997 54.9019 37.2745 176.1915 4 A 5.3932 9.2011 124.5274 50.7280 23.4179 175.0046 5 V 4.9667 8.6506 117.1099 60.8106 35.5319 173.5653 6 C 4.8944 8.9031 122.0373 58.0608 35.3649 172.6654 7 V 4.4455 8.5059 126.4109 62.0125 32.9402 174.1682 8 L 5.0495 8.6788 128.3924 53.3973 43.4508 175.8716 9 K 5.0411 9.2217 122.6365 55.1663 37.1186 175.9286 10 G 4.6084 8.1111 107.9356 44.1686 0.0000 171.6988 11 D 4.6310 9.1086 118.4961 56.4113 41.7236 177.4426 12 G 4.2357 7.6655 109.5665 44.6857 0.0000 172.1081 13 P 4.4455 0.0000 0.0000 63.6755 32.2512 176.6400 14 V 4.1260 7.5991 120.4716 63.2327 31.8147 174.9456 15 Q 5.3252 8.0637 124.7009 55.7582 32.6092 173.9222 16 G 4.1823 7.9038 105.5596 46.6853 0.0000 171.4260 17 I 5.1579 8.0069 119.7126 59.7520 41.5107 174.7439 18 I 4.6118 8.6750 127.8667 59.4487 40.0649 174.4770 19 N 4.9425 8.5457 124.9540 51.4505 41.0072 173.9805 20 F 5.5525 9.0523 120.3124 55.8130 43.1082 173.8035 21 E 5.2369 9.7114 123.2930 54.7336 33.2429 173.5680 22 Q 4.7850 9.4070 128.3630 54.3507 30.6537 175.2363 23 K 4.2258 9.0675 127.2490 58.7275 32.7415 177.3719 24 E 4.7716 7.7281 114.6800 53.9673 32.7490 175.9024 25 S 4.0727 8.9640 115.4177 61.7823 62.3062 174.9401 26 N 4.6615 8.1578 113.8406 53.2143 38.4449 174.9360 27 G 4.0309 7.9887 108.9357 43.3745 0.0000 171.9498 28 P 4.6806 0.0000 0.0000 62.3697 32.5183 176.3042 29 V 4.6207 9.3236 123.3217 61.3062 33.7934 174.6934 30 K 5.0593 9.3098 128.6717 55.7014 33.6064 176.0952 31 V 5.5297 9.2381 125.1510 58.8969 34.0775 174.6661 32 W 5.1248 7.4474 119.2266 55.0362 31.0790 174.5539 33 G 4.0042 7.4275 107.8472 46.0439 0.0000 171.2850 34 S 5.0488 8.0961 116.5587 56.9249 66.3843 173.9128 35 I 5.1373 8.8781 127.6493 59.3117 40.4364 174.7200 36 K 4.8978 9.5396 125.8452 55.5698 36.2865 176.8299 37 G 4.0552 8.8434 106.1212 45.7529 0.0000 173.1952 38 L 4.4823 7.7514 119.8995 52.9058 42.9817 176.4911 39 T 4.2743 8.2333 112.7621 61.0057 69.5292 173.9532 40 E 3.9749 8.6920 125.1652 57.6689 30.3505 175.0043 41 G 3.7438 8.2317 110.2193 43.8397 0.0000 172.0589 42 L 4.7111 8.2515 119.1468 54.8403 42.6608 176.6080 43 H 4.8364 9.3922 120.5337 53.5083 32.6022 173.2282 44 G 4.0969 8.9309 111.1126 47.1205 0.0000 171.9080 45 F 5.6859 9.4837 126.4846 56.8371 42.0622 173.1051 46 H 5.4087 8.9733 123.0527 53.7650 33.0783 173.0493 47 V 4.4056 8.7754 122.3220 62.7701 32.6140 174.5976 48 H 5.2724 9.3059 124.9916 53.9108 31.3930 174.8318 49 E 3.6776 8.9789 123.5969 59.1825 29.7720 177.1069 50 F 4.9392 8.3002 118.4904 55.0164 41.3082 176.8057 51 G 4.3818 8.4209 112.3683 44.7843 0.0000 173.8759 52 D 4.7526 8.0206 118.4002 52.5725 42.8354 174.2985 53 N 5.0739 8.5382 124.2819 53.4202 39.3569 176.0986 54 T 3.8298 8.4827 109.2963 63.9996 68.6551 174.7171 55 A 4.6246 8.4399 124.3991 51.4734 19.5796 177.6755 56 G 3.8478 8.0201 109.8986 46.6175 0.0000 174.4764 57 C 4.3495 8.6579 114.5174 60.1681 36.6295 176.0695 58 T 3.8102 8.0972 116.6474 66.7117 68.0507 175.7838 59 S 4.4158 7.6739 111.5060 59.2238 63.0002 174.7387 60 A 4.5143 7.5915 124.2141 52.3452 19.1587 179.1445 61 G 4.0671 7.7028 104.3550 45.3402 0.0000 170.8581 62 P 4.7414 0.0000 0.0000 61.6051 34.1353 175.3570 63 H 4.4559 8.4563 116.6102 55.9582 29.3884 175.5696 64 F 4.2623 9.1009 125.9172 58.5957 40.0514 174.7369 65 N 5.1890 8.0655 124.7488 51.9213 39.4991 171.8264 66 P 4.2382 0.0000 0.0000 64.1243 32.0089 176.6993 67 L 4.3429 7.2667 117.1114 55.8952 44.4794 175.7015 *79 R 3.9088 7.6994 116.4701 56.7742 30.6708 175.7390 *80 H 4.5639 8.5347 113.8494 54.5126 29.7229 170.8783 81 V 4.0795 8.0980 119.6134 62.9807 33.0520 177.2401 82 G 3.6477 8.1230 107.4634 48.2817 0.0000 173.6760 83 D 4.9849 7.6628 121.5141 53.5943 39.2870 181.0702 84 L 4.4346 8.4294 124.0642 53.1560 42.3057 178.9861 85 G 3.9461 8.2839 106.8232 46.1770 0.0000 172.8520 86 N 5.6339 8.5821 120.6418 51.5496 42.3288 173.9866 87 V 4.3728 9.0282 113.8390 59.8987 35.5919 175.1743 88 T 5.0517 8.1205 117.5585 61.8879 71.7132 173.0708 89 A 4.6069 8.8801 129.4692 50.9382 20.8242 177.0945 90 D 4.8449 8.9235 124.2715 52.4646 41.2095 177.9468 91 K 4.0592 8.5883 119.6948 57.5782 31.4647 173.6723 92 D 4.7186 8.3181 114.9707 54.2607 41.0232 176.7395 93 G 4.3183 8.5845 107.8272 45.3195 0.0000 172.9803 94 V 4.7677 8.3074 120.1259 60.6679 33.7750 174.2742 95 A 5.0987 8.8417 130.2547 49.5114 21.1230 174.8426 96 D 4.9423 8.6254 122.9428 53.8646 41.9547 176.5524 97 V 4.0794 8.7107 125.3678 61.8453 33.2351 174.9186 98 S 5.1211 8.4688 121.8040 57.1029 65.1844 172.8816 99 I 4.7923 9.2093 127.2987 59.9532 42.0493 173.6540 100 E 5.2010 8.8756 124.6542 54.6710 31.8854 174.8693 101 D 4.9890 9.1997 123.6771 52.4805 44.7503 175.9784 102 S 4.8566 8.8674 118.7288 58.3214 64.0430 174.5837 103 V 4.1866 7.9814 121.1555 63.8940 32.7802 176.3183 104 I 4.1473 8.1424 112.1924 60.7981 38.4694 174.5854 105 S 4.6424 8.2075 114.1937 57.5109 65.3180 173.9762 106 L 4.4705 9.0281 122.5798 54.2395 41.5932 176.2969 107 S 4.5005 7.8001 112.6768 57.7832 66.5486 175.5500 108 G 3.8222 8.4034 108.1175 45.3981 0.0000 173.3479 109 D 4.3770 8.9993 118.0166 57.8543 41.0313 178.5926 110 H 5.0334 8.0218 112.2743 55.5433 28.9450 174.5208 111 C 4.2695 8.1012 120.7913 60.0481 31.8636 173.5552 112 I 3.8976 8.0363 118.2253 60.2760 38.3452 175.4180 113 I 3.8588 7.3423 123.2902 63.0705 37.2692 176.0530 114 G 3.8522 9.2371 114.3737 44.9494 0.0000 172.8533 115 R 4.7429 7.4567 118.9353 55.0291 33.5494 174.7587 116 T 4.9540 7.9646 116.3255 62.0502 70.8258 173.9471 117 L 4.7748 8.7360 129.3255 54.1414 43.8517 175.4304 118 V 5.0982 8.9882 126.0547 60.9703 35.3383 174.2283 119 V 5.0796 8.7833 126.9958 60.5413 33.3292 174.8186 120 H 5.0785 9.5284 123.3284 54.5638 29.9917 175.2236 121 E 4.1609 9.4498 122.2407 59.5671 29.5761 177.6464 122 K 4.5681 8.0000 117.4455 54.5542 34.5629 175.8143 123 A 4.4592 8.4152 124.1979 52.1092 18.9732 175.7971 124 D 4.4220 9.5628 123.7811 54.2308 40.9108 175.7961 *142 S 4.2994 7.7334 117.8704 57.9217 65.6836 173.4303 143 R 4.5724 8.2821 118.6425 54.8520 30.1201 176.7539 144 L 4.2782 8.7736 125.7793 57.5673 42.8076 177.2440 145 A 5.0284 7.7874 117.7483 51.4827 22.7898 173.8754 146 C 5.7625 8.1292 113.4340 55.6344 46.4832 172.6224 147 G 4.7992 8.0629 103.2292 46.2926 0.0000 172.8398 148 V 4.3521 8.3713 120.9684 62.2497 32.8826 175.6149 149 I 4.2374 9.2192 129.3053 60.7598 38.0221 175.2426 150 G 4.4276 8.8547 114.9761 43.9130 0.0000 172.1380 151 I 4.3597 8.3286 121.8312 61.2051 37.5628 175.4925 152 A 4.8191 8.6540 128.5602 49.7987 21.9798 176.2374 153 Q 4.0725 8.5099 119.0000 56.4073 29.2269 175.9358 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 1 A 8.25 4.34 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 2 T 8.33 4.53 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 1.24 0.00 0.00 3 K 8.31 5.35 0.00 1.73 1.73 0.00 1.68 0.00 0.00 1.93 0.00 0.00 3.25 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.65 1.55 7.81 4 A 9.20 5.39 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.65 4.97 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 0.72 0.00 0.00 0.89 0.00 0.00 6 C 8.90 4.89 0.00 3.14 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 7 V 8.51 4.45 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 0.98 0.00 0.00 0.92 0.00 0.00 8 L 8.68 5.05 0.00 1.71 1.59 0.98 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.22 5.04 0.00 1.63 1.62 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.38 7.81 10 G 8.11 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.11 4.63 0.00 2.68 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 12 G 7.67 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 0.00 0.00 0.00 0.00 13 P 0.00 4.45 0.00 2.16 2.17 0.00 3.51 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.06 0.00 14 V 7.60 4.13 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 0.80 0.00 0.00 0.94 0.00 0.00 15 Q 8.06 5.33 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.48 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 16 G 7.90 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 17 I 8.01 5.16 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.80 0.81 0.00 0.00 18 I 8.67 4.61 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.55 0.38 0.00 0.00 19 N 8.55 4.94 0.00 1.44 1.63 0.00 0.00 6.42 8.01 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 20 F 9.05 5.55 0.00 2.86 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 21 E 9.71 5.24 0.00 2.43 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 2.31 2.51 0.00 22 Q 9.41 4.79 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 23 K 9.07 4.23 0.00 1.81 1.87 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.45 7.81 24 E 7.73 4.77 0.00 2.09 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 2.26 2.28 0.00 25 S 8.96 4.07 0.00 3.86 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 26 N 8.16 4.66 0.00 2.76 2.83 0.00 0.00 6.79 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 27 G 7.99 4.03 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 0.00 0.00 0.00 28 P 0.00 4.68 0.00 1.99 2.03 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 29 V 9.32 4.62 2.24 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 1.27 0.00 0.00 1.05 0.00 0.00 30 K 9.31 5.06 0.00 1.87 1.77 0.00 1.58 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.43 7.81 31 V 9.24 5.53 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 1.12 0.00 0.00 0.87 0.00 0.00 32 W 7.45 5.12 0.00 3.52 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 33 G 7.43 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.10 5.05 0.00 3.88 3.63 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 35 I 8.88 5.14 1.80 0.00 0.00 0.73 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 0.63 0.96 0.00 0.00 36 K 9.54 4.90 0.00 1.70 1.87 0.00 1.34 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.34 7.81 37 G 8.84 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 38 L 7.75 4.48 0.00 1.96 1.53 0.77 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.23 4.27 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 1.24 0.00 0.00 40 E 8.69 3.97 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 41 G 8.23 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 42 L 8.25 4.71 0.00 1.49 1.58 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.39 4.84 0.00 2.99 3.32 0.00 5.64 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 44 G 8.93 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 0.00 0.00 0.00 45 F 9.48 5.69 0.00 2.94 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 46 H 8.97 5.41 0.00 3.18 2.97 0.00 5.85 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.78 4.41 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.87 0.00 0.00 48 H 9.31 5.27 0.00 3.02 3.42 0.00 5.69 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.98 3.68 0.00 1.71 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 1.47 2.03 0.00 50 F 8.30 4.94 0.00 3.12 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 51 G 8.42 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 0.00 0.00 0.00 0.00 52 D 8.02 4.75 0.00 2.62 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 53 N 8.54 5.07 0.00 2.81 2.71 0.00 0.00 6.89 7.22 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 54 T 8.48 3.83 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 1.20 0.00 0.00 55 A 8.44 4.62 1.24 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 0.00 0.00 56 G 8.02 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 57 C 8.66 4.35 0.00 2.97 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 58 T 8.10 3.81 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 1.23 0.00 0.00 59 S 7.67 4.42 0.00 4.11 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 60 A 7.59 4.51 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 61 G 7.70 4.07 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 0.00 0.00 0.00 62 P 0.00 4.74 0.00 2.16 2.20 0.00 3.37 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 63 H 8.46 4.46 0.00 2.96 3.19 0.00 5.73 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 64 F 9.10 4.26 0.00 2.89 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 65 N 8.07 5.19 0.00 2.54 2.54 0.00 0.00 7.26 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 66 P 0.00 4.24 0.00 2.09 1.95 0.00 3.09 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 1.55 1.00 0.00 67 L 7.27 4.34 0.00 1.55 1.56 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 *79 R 7.70 3.91 0.00 1.98 1.96 0.00 3.12 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 *80 H 8.53 4.56 0.00 2.70 2.92 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 81 V 8.10 4.08 1.69 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 0.75 0.00 0.00 0.50 0.00 0.00 82 G 8.12 3.65 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 0.00 0.00 0.00 83 D 7.66 4.98 0.00 2.39 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 84 L 8.43 4.43 0.00 1.81 1.87 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.28 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 0.00 0.00 0.00 86 N 8.58 5.63 0.00 2.58 2.70 0.00 0.00 6.57 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 87 V 9.03 4.37 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 -0.48 0.00 0.00 0.74 0.00 0.00 88 T 8.12 5.05 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 1.20 0.00 0.00 89 A 8.88 4.61 1.21 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 90 D 8.92 4.84 0.00 2.88 2.83 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 91 K 8.59 4.06 0.00 1.79 1.79 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.05 7.81 92 D 8.32 4.72 0.00 2.76 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 93 G 8.58 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.31 4.77 2.37 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 1.00 0.00 0.00 0.95 0.00 0.00 95 A 8.84 5.10 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 0.00 0.00 0.00 0.00 0.00 96 D 8.63 4.94 0.00 2.54 2.64 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 0.00 0.00 0.00 0.00 97 V 8.71 4.08 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 0.79 0.00 0.00 0.64 0.00 0.00 98 S 8.47 5.12 0.00 3.89 3.68 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 99 I 9.21 4.79 1.99 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.42 1.02 0.00 0.00 100 E 8.88 5.20 0.00 1.84 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 2.23 2.27 0.00 101 D 9.20 4.99 0.00 2.86 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 0.00 102 S 8.87 4.86 0.00 3.88 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 0.00 103 V 7.98 4.19 2.22 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 0.81 0.00 0.00 0.95 0.00 0.00 104 I 8.14 4.15 1.91 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.80 1.00 0.00 0.00 105 S 8.21 4.64 0.00 3.87 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 0.00 106 L 9.03 4.47 0.00 1.84 1.63 0.99 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.80 4.50 0.00 3.92 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 0.00 108 G 8.40 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 9.00 4.38 0.00 2.61 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 0.00 110 H 8.02 5.03 0.00 3.19 3.34 0.00 5.79 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.10 4.27 0.00 3.07 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 0.00 112 I 8.04 3.90 1.57 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.07 0.98 0.00 0.00 113 I 7.34 3.86 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.36 0.84 0.00 0.00 114 G 9.24 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 0.00 115 R 7.46 4.74 0.00 1.62 1.84 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.21 0.00 116 T 7.96 4.95 4.31 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 1.23 0.00 0.00 117 L 8.74 4.77 0.00 1.80 1.54 0.38 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.99 5.10 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 0.85 0.00 0.00 0.74 0.00 0.00 119 V 8.78 5.08 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 0.80 0.00 0.00 1.01 0.00 0.00 120 H 9.53 5.08 0.00 3.10 3.36 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.45 4.16 0.00 2.08 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 2.37 2.35 0.00 122 K 8.00 4.57 0.00 1.79 1.73 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.47 7.81 123 A 8.42 4.46 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 0.00 124 D 9.56 4.42 0.00 2.77 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 *142 S 7.73 4.30 0.00 3.98 4.07 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 0.00 143 R 8.28 4.57 0.00 1.66 1.84 0.00 3.17 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.54 0.00 144 L 8.77 4.28 0.00 1.80 1.70 1.01 0.76 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 0.00 145 A 7.79 5.03 1.24 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 0.00 0.00 146 C 8.13 5.76 0.00 3.05 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 0.00 147 G 8.06 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 0.00 148 V 8.37 4.35 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 0.95 0.00 0.00 149 I 9.22 4.24 1.90 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.44 0.50 0.00 0.00 150 G 8.85 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.33 4.36 1.86 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 1.26 0.55 0.91 0.00 0.00 152 A 8.65 4.82 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 0.00 0.00 0.00 0.00 0.00 153 Q 8.51 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.