NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.3315 8.1593 110.9398 60.4319 70.1137 173.4259 5 P 4.1499 0.0000 0.0000 60.9955 31.7850 174.9230 6 I 3.9303 8.3114 115.5302 60.4742 39.6448 176.2601 7 D 4.5973 9.2479 121.8304 52.4412 40.6030 176.8502 8 A 4.0464 8.6376 130.8414 54.9728 18.4571 178.1161 9 E 4.2660 8.5490 114.3741 57.9285 29.8528 177.1284 10 L 4.8016 7.9087 115.1870 54.0154 43.9854 176.1996 11 D 5.3551 8.5577 118.7509 52.5311 43.7433 175.4532 12 L 4.8241 8.4992 121.2574 52.7035 46.0338 174.6657 *14 L 3.9686 8.1734 119.9754 55.0745 43.0183 175.5643 15 K 5.0968 8.4725 125.0508 54.7307 34.8871 175.7804 16 R 4.7137 9.1843 122.7096 54.8731 35.2440 173.7074 17 E 4.8591 8.7479 121.6923 54.9410 31.2746 175.1924 18 L 4.7445 8.7490 125.0808 52.0775 43.9377 177.5545 19 A 4.3953 8.7000 130.7327 51.4521 17.8039 177.1390 20 V 4.5161 7.0578 119.7469 60.2375 35.6344 172.7828 21 P 4.4897 0.0000 0.0000 62.2361 32.1644 177.5526 22 V 3.7115 8.5885 120.8690 65.3443 30.9255 178.3140 23 N 4.6508 8.0580 118.2928 55.3271 37.0702 177.1378 24 L 4.0538 8.0006 121.2431 57.3809 41.7326 179.4508 25 V 3.5282 7.8073 117.8316 65.7272 31.2970 177.6876 26 W 4.2570 8.5252 128.1344 60.6015 30.5243 178.1254 27 R 4.0203 8.2657 118.1782 59.2866 29.3079 179.2433 28 G 3.6424 8.1809 104.6396 47.7162 0.0000 175.1580 29 L 4.7007 7.8364 119.5261 56.1417 41.9525 177.5308 30 T 4.1259 7.2011 106.1951 60.5732 70.3466 173.5449 31 E 4.4361 8.1577 123.4000 54.3270 30.6359 174.5808 32 P 4.2002 0.0000 0.0000 66.0514 31.1584 178.1991 33 E 4.0143 8.1843 115.2464 59.4074 29.6453 179.1116 34 L 4.3027 7.8463 118.2278 57.7785 42.0835 178.8501 35 L 3.9151 8.2841 119.2447 58.0271 41.4074 179.5071 36 K 4.2256 8.0407 115.6400 57.7569 31.9624 177.6518 37 K 4.6906 8.1019 118.3789 55.6685 32.5082 176.1421 38 W 5.2650 7.7063 114.7109 57.2707 33.5255 176.2459 39 F 2.9902 7.2168 121.2226 59.8370 38.7884 175.4561 40 V 4.3218 6.8998 112.3543 58.2098 34.4302 173.4682 41 P 4.6180 0.0000 0.0000 62.0719 31.9027 176.4283 42 K 5.1009 8.4837 120.6425 55.3432 33.0619 175.5038 43 P 4.3616 0.0000 0.0000 64.5069 31.5278 176.7451 44 W 4.5147 7.9723 120.3101 57.4068 30.2300 175.0271 45 S 5.1077 8.9087 116.0569 57.4616 66.3667 173.1867 46 I 4.7762 8.2332 120.3233 59.7290 38.5144 176.2261 47 S 4.3824 8.9989 122.7989 60.0269 63.8308 173.8534 48 D 4.8127 7.6081 119.4873 53.2528 44.6277 173.4472 49 C 5.1059 8.4631 123.7114 58.1880 34.9352 172.7882 50 R 4.7899 9.5456 126.2474 54.5767 33.1712 174.1020 51 V 4.8872 8.4354 124.7498 61.5069 34.7973 174.1286 52 D 4.6381 9.1243 128.5281 52.3088 41.9859 174.2137 53 L 3.9815 8.0986 128.2014 52.9517 39.9404 175.3994 54 R 4.4920 7.4531 117.2781 53.8105 32.0550 173.4160 55 P 4.6932 0.0000 0.0000 64.3773 31.7184 177.1602 56 G 2.9645 9.5843 112.5131 44.4159 0.0000 173.2836 57 G 4.6724 8.4972 108.0711 44.9625 0.0000 173.4859 58 E 4.7290 8.7687 120.3713 56.0181 31.6447 175.6358 59 F 5.3769 8.9410 123.7600 56.9019 42.0353 172.5330 60 Y 5.2460 9.4188 128.5032 55.8656 41.5321 174.4479 61 T 4.6779 7.8959 115.1290 59.9851 73.0112 172.7423 62 V 4.4410 8.0975 122.4266 60.9350 35.7436 173.5856 *64 Q 5.3154 8.6120 121.3597 56.2020 30.4582 173.8857 65 D 4.7991 8.2000 123.3863 50.2808 41.9195 175.2974 66 P 4.2691 0.0000 0.0000 65.1996 31.2410 177.4876 67 E 3.9706 7.9960 118.4310 59.4672 29.5838 177.0547 68 G 3.8613 8.0057 103.8599 45.0541 0.0000 173.7877 69 N 4.3270 8.8677 119.8570 53.2447 39.4142 174.3396 70 K 4.6894 8.1681 122.2090 54.8544 34.8389 176.4998 71 F 4.8565 8.4891 121.0787 54.8436 41.1231 172.4189 72 P 4.5268 0.0000 0.0000 62.7641 32.3806 175.7210 73 N 5.0050 8.9333 119.3014 51.7163 42.7088 173.4437 74 S 5.0928 8.8383 118.9903 56.8981 66.3100 173.4765 75 G 4.2585 8.9733 110.1811 44.9683 0.0000 170.2783 76 C 5.3182 8.9570 118.5872 57.7120 35.4221 173.5765 77 F 4.9110 9.2790 125.0057 57.6551 39.3731 176.0613 78 L 5.0089 9.5352 122.1669 55.6465 44.3209 176.7922 79 E 4.7940 8.2115 118.4121 54.6759 33.4537 174.4552 80 V 4.7343 8.6294 125.4341 61.8364 34.1075 174.7908 81 T 4.4258 9.0043 126.6008 61.4964 70.4725 172.9474 82 D 3.3700 8.3194 125.0398 54.4864 40.8393 175.9991 83 E 3.4066 5.9000 124.2775 56.8311 27.5654 175.3961 84 K 4.3041 7.7011 119.2806 57.6510 35.0832 175.9903 85 R 5.3005 7.6708 118.4294 55.0118 33.8953 173.0721 86 L 5.4903 9.4956 127.3959 53.5915 45.8260 174.9568 87 I 5.3461 9.2391 126.5346 59.3855 40.9838 174.5162 88 W 5.7658 8.6780 122.8140 55.3526 32.2307 173.7026 89 T 4.9809 9.4001 114.4523 60.7297 70.3844 174.1720 90 S 4.8221 8.8418 118.6996 58.1881 63.9315 175.2626 91 A 4.2959 8.1669 124.5863 53.5046 18.9302 177.2549 92 L 5.3028 7.6316 114.6821 52.9978 45.9944 176.0776 93 V 4.8754 8.4640 114.0786 59.1066 34.7762 174.5462 94 K 3.7756 8.5016 119.4841 58.9714 32.1392 176.8120 95 N 3.9786 9.3394 121.9013 54.5793 36.4294 174.3663 96 Y 3.8603 7.6396 112.2024 58.6971 36.2080 169.6925 97 R 4.1934 7.6375 121.6345 55.5592 31.2096 174.2830 98 P 4.7204 0.0000 0.0000 62.6434 31.9418 176.1943 99 A 4.2803 8.5785 125.5602 51.5399 19.3924 177.5187 100 V 3.6067 8.2095 119.8823 61.7878 32.1202 174.1727 101 P 4.1339 0.0000 0.0000 62.5392 30.8996 176.2464 *112 I 3.7576 8.0599 124.3220 60.6048 37.2312 176.0550 113 V 3.9025 7.6971 124.3375 62.1707 32.0310 175.7027 *115 T 3.8259 8.1765 120.1146 63.2557 69.5827 173.0504 116 A 4.5557 7.8529 128.4982 50.0223 21.3901 175.6123 117 V 4.6023 8.6881 122.5232 61.1089 34.4332 174.2402 118 I 4.9781 9.0399 129.2194 59.5336 40.2179 174.4949 119 E 5.2326 9.4053 126.2760 54.4750 32.9194 174.9233 120 L 5.3616 8.8407 123.3583 53.0649 44.9901 176.0632 121 Q 4.4159 8.8507 123.1036 53.7456 32.1439 172.4340 122 P 4.8872 0.0000 0.0000 62.9482 32.2026 175.7656 123 T 4.7172 8.6453 113.5640 59.2408 71.6986 174.2025 124 S 4.2529 8.6778 115.5670 60.6770 63.0805 175.2364 125 S 4.6708 7.7480 113.6223 59.0345 65.3283 173.7109 126 G 4.0692 7.6624 112.4350 46.4863 0.0000 175.5729 127 T 5.1616 9.4550 123.3249 61.4260 72.7729 171.8493 128 R 4.4129 9.4267 127.7961 56.0185 31.5492 174.1785 129 Y 4.9157 9.2513 128.7713 56.2847 41.0353 174.3196 130 T 4.8715 8.4517 123.3165 61.6884 71.6902 172.9208 131 A 5.2250 8.7750 128.5257 50.1109 22.0261 174.6403 132 C 5.4006 9.5661 121.3064 57.7786 35.3720 173.0062 133 A 4.8981 8.9110 127.1316 50.3181 22.1810 174.8141 *135 H 4.6485 8.5014 114.4862 55.8433 29.8109 173.5562 136 N 4.5943 8.6260 117.6678 55.1300 38.0642 175.8887 137 T 4.7386 7.3883 107.3126 58.2888 73.3078 172.7395 138 P 4.4780 0.0000 0.0000 65.6851 31.3700 179.1272 139 G 3.6518 8.0492 104.0458 48.0967 0.0000 175.6026 140 Q 4.0131 7.8421 120.7803 58.4223 28.6984 178.7735 141 R 3.4132 7.8713 119.8165 59.2108 30.1347 178.7708 142 K 3.9563 8.3232 118.6429 59.4977 31.8278 179.3824 143 L 4.0190 7.7085 118.1778 57.9572 41.5575 178.8096 144 H 4.3716 8.0232 117.4926 59.1695 30.1669 176.6546 145 E 4.0931 8.2410 121.2373 59.0502 29.3673 178.2258 146 E 4.0025 8.1140 115.6068 57.2775 29.0304 178.1638 *148 G 3.8388 7.9022 107.5685 45.3757 0.0000 174.6402 149 F 4.2951 8.1978 121.2781 61.2074 39.4369 176.1363 150 H 3.9307 8.2693 114.4396 57.6112 28.8568 176.0827 *152 G 4.0236 8.1106 109.5692 45.3541 0.0000 175.2471 153 W 4.5297 8.3504 129.9111 60.2198 30.4785 178.0445 154 G 3.5199 8.2032 105.1283 47.7799 0.0000 175.8329 155 T 3.9715 7.8658 117.8739 66.6930 68.5565 176.6798 156 T 4.1947 8.4490 112.1507 64.9994 68.7485 176.7003 157 I 3.5956 7.5385 122.2802 64.3241 37.0481 178.5144 158 T 3.8589 7.7664 116.6622 66.7079 68.2810 176.7862 159 Q 4.0715 8.1943 120.0386 58.6444 28.6213 178.5494 160 L 3.5026 7.9273 121.4005 57.9365 42.1662 178.5025 161 E 3.7528 7.9360 119.1449 59.3936 29.3235 178.4286 162 E 3.9288 7.8401 117.8557 59.0436 29.9338 178.2573 163 L 4.1115 8.0021 120.4021 58.2649 42.2962 179.0660 164 L 4.0519 8.1151 118.9452 57.4760 41.2526 179.5008 165 K 4.1153 7.7701 117.1859 58.7220 31.8943 178.4981 166 Q 4.2646 7.9645 117.5535 57.0389 28.6870 177.5593 167 E 3.8549 7.8943 119.6561 58.0823 29.8552 177.1543 168 K 4.1906 7.4197 121.8506 56.7923 32.6452 175.7182 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 4 T 8.16 4.33 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 5 P 0.00 4.15 0.00 2.28 2.10 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 6 I 8.31 3.93 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.61 0.93 0.00 0.00 7 D 9.25 4.60 0.00 2.68 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 8 A 8.64 4.05 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 9 E 8.55 4.27 0.00 2.15 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 2.42 0.00 10 L 7.91 4.80 0.00 1.49 1.83 0.95 0.97 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 11 D 8.56 5.36 0.00 2.62 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 12 L 8.50 4.82 0.00 1.68 1.85 0.84 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 *14 L 8.17 3.97 0.00 0.27 0.14 0.58 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.47 5.10 0.00 1.59 1.65 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.37 7.81 16 R 9.18 4.71 0.00 1.71 1.71 0.00 3.00 0.00 0.00 3.04 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 17 E 8.75 4.86 0.00 1.83 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 2.26 0.00 18 L 8.75 4.74 0.00 1.55 1.50 0.71 0.80 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 19 A 8.70 4.40 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 20 V 7.06 4.52 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 0.86 0.00 0.00 0.89 0.00 0.00 21 P 0.00 4.49 0.00 2.54 2.17 0.00 3.77 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 2.08 1.96 0.00 22 V 8.59 3.71 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.00 0.00 0.00 23 N 8.06 4.65 0.00 2.99 3.21 0.00 0.00 6.76 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 24 L 8.00 4.05 0.00 1.90 1.75 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.81 3.53 2.33 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 1.16 0.00 0.00 1.00 0.00 0.00 26 W 8.53 4.26 0.00 3.55 3.26 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 27 R 8.27 4.02 0.00 2.12 1.99 0.00 3.24 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.99 0.00 28 G 8.18 3.64 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 0.00 0.00 0.00 29 L 7.84 4.70 0.00 1.61 1.74 1.22 1.39 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 30 T 7.20 4.13 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 31 E 8.16 4.44 0.00 2.13 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 2.23 2.33 0.00 32 P 0.00 4.20 0.00 2.15 2.32 0.00 3.59 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 2.12 2.19 0.00 33 E 8.18 4.01 0.00 1.96 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 2.33 2.37 0.00 34 L 7.85 4.30 0.00 1.97 1.90 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.28 3.92 0.00 1.73 1.46 0.73 0.83 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 36 K 8.04 4.23 0.00 1.76 1.87 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.70 7.81 37 K 8.10 4.69 0.00 1.96 1.92 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.58 7.81 38 W 7.71 5.26 0.00 3.67 3.33 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 39 F 7.22 2.99 0.00 2.32 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 40 V 6.90 4.32 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 1.03 0.00 0.00 41 P 0.00 4.62 0.00 2.26 2.20 0.00 3.51 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 1.97 1.85 0.00 42 K 8.48 5.10 0.00 1.99 1.93 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.32 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.72 1.39 7.81 43 P 0.00 4.36 0.00 2.07 2.19 0.00 3.89 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 44 W 7.97 4.51 0.00 3.53 3.22 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 45 S 8.91 5.11 0.00 3.87 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 46 I 8.23 4.78 1.86 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 1.40 0.71 0.91 0.00 0.00 47 S 9.00 4.38 0.00 3.98 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 48 D 7.61 4.81 0.00 2.77 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 C 8.46 5.11 0.00 2.89 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 50 R 9.55 4.79 0.00 2.08 1.92 0.00 3.06 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 51 V 8.44 4.89 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 0.62 0.00 0.00 0.84 0.00 0.00 52 D 9.12 4.64 0.00 2.78 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 53 L 8.10 3.98 0.00 1.36 1.41 0.04 0.81 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 54 R 7.45 4.49 0.00 1.98 1.93 0.00 3.03 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 55 P 0.00 4.69 0.00 2.23 2.42 0.00 3.73 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 2.13 2.21 0.00 56 G 9.58 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 0.00 0.00 0.00 57 G 8.50 4.67 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 58 E 8.77 4.73 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 59 F 8.94 5.38 0.00 1.97 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 9.42 5.25 0.00 2.90 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 61 T 7.90 4.68 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 0.53 0.00 0.00 62 V 8.10 4.44 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 0.91 0.00 0.00 0.76 0.00 0.00 *64 Q 8.61 5.32 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.51 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 65 D 8.20 4.80 0.00 2.47 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 0.00 0.00 0.00 0.00 66 P 0.00 4.27 0.00 2.12 2.15 0.00 3.43 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.85 0.00 67 E 8.00 3.97 0.00 2.29 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 2.21 2.18 0.00 68 G 8.01 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.87 4.33 0.00 2.84 2.37 0.00 0.00 6.77 6.85 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 70 K 8.17 4.69 0.00 1.47 1.62 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.50 7.81 71 F 8.49 4.86 0.00 2.99 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 72 P 0.00 4.53 0.00 2.21 2.15 0.00 3.77 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 2.05 2.05 0.00 73 N 8.93 5.01 0.00 2.38 2.47 0.00 0.00 6.69 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 74 S 8.84 5.09 0.00 3.74 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.97 4.26 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 0.00 76 C 8.96 5.32 0.00 3.09 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 77 F 9.28 4.91 0.00 3.25 3.01 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 78 L 9.54 5.01 0.00 1.61 1.83 1.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.21 4.79 0.00 2.10 1.85 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 2.38 2.39 0.00 80 V 8.63 4.73 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 1.11 0.00 0.00 0.92 0.00 0.00 81 T 9.00 4.43 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 1.15 0.00 0.00 82 D 8.32 3.37 0.00 2.41 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 5.90 3.41 0.00 1.83 1.78 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 2.11 1.52 0.00 84 K 7.70 4.30 0.00 1.66 1.72 0.00 1.46 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.37 7.81 85 R 7.67 5.30 0.00 1.93 1.86 0.00 3.52 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 86 L 9.50 5.49 0.00 2.01 1.69 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 87 I 9.24 5.35 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.84 0.96 0.00 0.00 88 W 8.68 5.77 0.00 3.30 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 9.40 4.98 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 1.36 0.00 0.00 90 S 8.84 4.82 0.00 4.08 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 0.00 91 A 8.17 4.30 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 92 L 7.63 5.30 0.00 1.77 1.70 1.11 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.46 4.88 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 1.02 0.00 0.00 94 K 8.50 3.78 0.00 1.77 1.71 0.00 1.83 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.49 7.81 95 N 9.34 3.98 0.00 2.90 2.91 0.00 0.00 7.09 8.30 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 96 Y 7.64 3.86 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.64 4.19 0.00 1.90 1.83 0.00 3.12 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 98 P 0.00 4.72 0.00 2.00 1.99 0.00 3.77 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 2.05 2.13 0.00 99 A 8.58 4.28 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 0.00 100 V 8.21 3.61 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 0.86 0.00 0.00 0.94 0.00 0.00 101 P 0.00 4.13 0.00 2.22 2.08 0.00 3.86 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 *112 I 8.06 3.76 1.68 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 1.20 0.70 0.75 0.00 0.00 113 V 7.70 3.90 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 0.96 0.00 0.00 0.92 0.00 0.00 *115 T 8.18 3.83 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 1.15 0.00 0.00 116 A 7.85 4.56 0.03 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 0.00 117 V 8.69 4.60 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 0.94 0.00 0.00 0.89 0.00 0.00 118 I 9.04 4.98 2.06 0.00 0.00 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 1.42 0.87 0.93 0.00 0.00 119 E 9.41 5.23 0.00 1.79 1.79 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 2.23 2.25 0.00 120 L 8.84 5.36 0.00 1.69 1.63 1.26 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 8.85 4.42 0.00 2.13 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.98 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 122 P 0.00 4.89 0.00 1.97 1.97 0.00 3.66 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 2.01 2.08 0.00 123 T 8.65 4.72 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 1.25 0.00 0.00 124 S 8.68 4.25 0.00 4.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 S 7.75 4.67 0.00 3.98 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 0.00 126 G 7.66 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 0.00 127 T 9.46 5.16 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 128 R 9.43 4.41 0.00 1.87 1.96 0.00 3.06 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 129 Y 9.25 4.92 0.00 3.07 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 0.00 130 T 8.45 4.87 4.15 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 0.00 0.00 0.00 1.16 0.00 0.00 131 A 8.78 5.22 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 0.00 132 C 9.57 5.40 0.00 3.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.91 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *135 H 8.50 4.65 0.00 3.24 3.30 0.00 5.89 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 N 8.63 4.59 0.00 2.80 2.93 0.00 0.00 5.78 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 0.00 137 T 7.39 4.74 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 1.21 0.00 0.00 138 P 0.00 4.48 0.00 2.16 2.13 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 139 G 8.05 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 0.00 140 Q 7.84 4.01 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.72 0.00 141 R 7.87 3.41 0.00 1.74 2.04 0.00 3.21 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.78 0.00 142 K 8.32 3.96 0.00 1.93 1.82 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.65 7.81 143 L 7.71 4.02 0.00 1.76 1.72 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 144 H 8.02 4.37 0.00 3.17 3.32 0.00 5.78 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.24 4.09 0.00 2.06 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 2.28 2.33 0.00 146 E 8.11 4.00 0.00 2.18 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 2.38 2.33 0.00 *148 G 7.90 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 0.00 0.00 0.00 149 F 8.20 4.30 0.00 3.03 3.27 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 0.00 150 H 8.27 3.93 0.00 3.20 3.29 0.00 5.74 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 *152 G 8.11 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 0.00 0.00 0.00 153 W 8.35 4.53 0.00 3.37 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 0.00 154 G 8.20 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 T 7.87 3.97 4.44 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 1.26 0.00 0.00 156 T 8.45 4.19 4.64 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 1.28 0.00 0.00 157 I 7.54 3.60 1.90 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 1.78 0.86 0.54 0.00 0.00 158 T 7.77 3.86 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 1.21 0.00 0.00 159 Q 8.19 4.07 0.00 2.54 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.62 0.00 160 L 7.93 3.50 0.00 0.67 1.34 -0.24 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 161 E 7.94 3.75 0.00 1.95 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 2.25 2.25 0.00 162 E 7.84 3.93 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 163 L 8.00 4.11 0.00 1.96 1.85 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 164 L 8.12 4.05 0.00 1.76 1.65 0.80 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 165 K 7.77 4.12 0.00 1.93 1.86 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.60 7.81 166 Q 7.96 4.26 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 167 E 7.89 3.85 0.00 2.25 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 2.35 2.41 0.00 168 K 7.42 4.19 0.00 1.66 1.74 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.