NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.4622 8.1844 120.6262 54.4662 43.1033 176.1006 1 V 3.8450 7.9904 122.0960 60.9050 32.4643 174.2558 2 K 4.5227 8.8343 122.8594 56.2732 36.6277 174.3517 3 K 4.6132 8.1897 121.7717 54.7075 34.2332 174.5708 4 V 4.8751 8.8428 128.4878 60.9972 34.2937 173.9811 5 L 5.1413 8.7661 129.4616 53.3136 44.1948 174.5967 6 L 5.0028 9.0542 129.8376 54.2863 43.6184 175.1949 7 I 5.2307 9.0054 127.1566 59.6521 40.8848 174.2981 8 N 5.3899 8.9363 122.5997 51.8007 42.1869 175.0896 9 G 4.2092 8.9757 114.6398 43.9067 0.0000 171.4407 10 P 4.4204 0.0000 0.0000 64.0640 31.8392 177.5610 11 N 4.5161 9.1603 116.6122 54.2599 38.5462 176.6968 12 L 4.0325 7.6335 118.0065 57.1653 41.7483 178.6199 13 N 4.4829 8.1236 114.6895 54.5525 37.4350 175.3103 14 L 4.4693 8.0304 119.0266 54.5033 42.7953 176.3380 15 L 4.4373 7.8018 120.5274 55.3469 41.0363 176.5441 16 G 4.1215 7.9019 109.2496 44.0457 0.0000 171.9989 17 T 4.4543 8.7075 113.7059 61.1154 69.4541 175.3987 18 R 4.1894 8.0226 121.9254 58.5093 31.0615 176.6250 *23 Y 4.5930 7.7207 115.0672 56.7218 40.3877 174.6307 24 G 3.8617 7.5254 108.1121 44.4951 0.0000 173.9963 25 T 3.8900 8.1402 110.4662 61.8212 69.3446 174.0382 26 T 4.2444 10.4187 119.9575 63.5094 68.6913 175.4520 27 S 5.4236 8.3420 120.9935 55.9915 65.1572 175.0322 28 L 3.8851 8.3155 121.2381 58.2969 41.7345 178.3887 29 S 4.2190 7.8974 111.8033 60.3610 62.4105 175.6806 30 D 4.3225 7.8246 121.8666 57.4506 40.6080 178.5571 31 I 3.5955 7.3096 119.6880 64.1741 37.0195 177.7360 32 E 3.8081 8.0214 120.1105 59.7938 29.4034 179.1180 33 Q 3.9617 7.8465 116.9374 58.7991 28.6502 178.7638 34 A 3.9859 8.2275 121.7787 54.9125 18.2619 179.5203 35 A 3.8996 8.2081 119.3779 55.3904 18.5176 179.5314 36 I 3.6847 7.8157 118.3278 64.8836 37.1810 178.3602 37 E 3.9306 8.3816 118.8392 59.4138 29.1781 178.9305 38 Q 3.9040 8.3740 119.9535 59.3591 28.9612 179.0757 39 A 3.9461 7.7500 121.2201 55.2562 18.6364 179.3687 40 K 3.7880 7.8013 116.4578 60.0745 32.0154 179.3345 41 L 4.1671 8.0128 117.2284 56.9526 41.4240 178.8413 42 K 4.1179 8.3100 117.9091 56.5794 31.8042 178.8658 43 N 4.3487 7.9912 114.6355 53.9954 38.0838 174.3314 44 N 4.9038 7.5486 114.5003 52.6336 37.8425 174.2497 45 D 4.3635 8.1176 114.4592 56.7702 38.1846 174.2654 46 S 5.0884 7.8820 114.3859 57.0985 65.1297 173.4150 47 E 4.9006 7.7647 117.7196 55.9614 32.4279 174.9342 48 V 4.9029 8.6515 126.1871 61.2205 33.8825 174.5294 49 L 4.8306 9.1022 127.9619 53.4563 44.1905 175.8708 50 V 5.0950 8.2611 113.7289 59.8072 35.2501 174.7809 51 F 5.0115 9.3261 125.4660 57.0859 43.4174 172.8893 52 Q 5.3223 7.0498 122.3902 55.7449 31.7326 173.1473 53 S 4.5904 8.3154 118.7798 57.6254 65.3314 173.5429 54 N 4.5580 8.8935 120.0788 53.8760 39.2931 175.8978 55 T 4.3151 8.3715 117.5523 62.1090 69.0442 174.7356 56 E 3.7509 8.7598 127.7719 59.3026 29.5951 179.1088 57 G 3.6123 7.8309 104.9373 47.9943 0.0000 175.5066 58 F 4.4369 8.1103 119.9473 60.3606 38.9169 177.6921 59 I 3.9071 8.1701 119.6412 64.4019 36.8958 178.6087 60 I 3.5872 7.8296 120.6481 64.3940 36.9812 177.8451 61 D 4.2757 8.7606 120.8463 57.6556 40.6303 179.3448 62 R 3.6182 7.7133 118.6717 59.3103 29.7977 178.5113 63 I 3.6828 7.5520 118.6428 64.5278 37.3313 177.8991 64 H 4.3381 8.1272 117.0114 59.0167 28.5367 177.1909 65 E 3.8810 8.2125 120.7194 59.3342 29.3040 178.6152 66 A 4.1574 8.2578 122.3820 54.3495 18.4423 179.2135 67 K 3.7653 7.7838 117.3910 60.0095 32.0312 178.8481 68 R 3.9166 8.0503 115.9330 59.2792 30.3780 177.4190 69 Q 4.2311 7.9846 114.4230 55.4769 29.1198 176.6699 70 G 3.8199 8.0717 106.1479 46.0639 0.0000 174.1862 71 V 3.7038 7.7934 119.5147 62.8807 31.8278 176.0180 72 G 4.1563 8.7013 113.4890 46.9618 0.0000 173.3239 73 F 4.9465 7.8944 120.7359 57.1936 43.0524 172.6040 74 V 5.0094 8.4561 124.8114 61.1117 34.5585 174.2099 75 V 5.0216 8.8841 127.3656 61.2677 33.7826 174.0226 76 I 5.1327 8.9647 127.9792 59.2461 41.7288 173.4379 77 N 5.3398 9.4465 127.3313 50.8914 40.6551 174.5494 78 A 4.3328 8.8271 129.3758 52.1836 20.2257 178.4464 79 G 3.7007 8.3778 105.5161 45.9713 0.0000 176.6187 80 A 4.1219 8.4826 122.7056 55.4290 18.6284 178.9474 81 Y 4.7097 7.7799 112.5974 60.5148 37.7267 178.2217 82 T 3.9727 8.2347 117.4732 66.1561 68.2642 175.1740 83 H 4.9178 8.2606 116.1670 55.9277 29.8598 175.3785 84 T 4.7426 8.0389 107.7104 61.0515 70.2873 174.3849 85 S 4.6285 8.1445 118.1039 55.4553 61.3715 173.9892 86 V 3.3859 7.4865 125.6159 65.2184 31.3116 177.3534 87 G 3.5544 7.7794 105.1902 47.6978 0.0000 175.6966 88 I 3.6965 7.8404 122.2732 63.8158 37.0234 178.3358 89 R 3.8351 7.6560 119.6989 59.8033 29.9527 178.4484 90 D 4.3197 8.5792 118.5653 57.0055 40.6143 178.7370 91 A 4.0234 8.0410 121.6310 54.9866 18.4336 179.6169 92 L 3.8616 7.9206 117.4809 57.8857 41.4889 179.6394 93 L 4.0926 7.9670 117.6763 57.8688 41.7042 179.3367 94 G 3.9192 8.1145 104.7101 48.0982 0.0000 175.0546 95 T 4.1607 8.3251 110.3746 60.9637 68.9863 175.0859 96 A 3.6798 7.5701 123.3866 53.3241 16.6226 177.0763 97 I 4.2500 7.0513 118.4489 60.7579 38.2034 174.5749 98 P 4.4199 0.0000 0.0000 63.1006 32.4358 175.0966 99 F 5.4034 7.3769 114.2563 56.3745 41.5196 172.5048 100 I 4.8613 8.5498 119.7273 59.5357 40.1455 174.0687 101 E 4.9556 8.9487 127.6517 55.1023 30.6815 174.8006 102 V 4.6618 8.7893 127.0601 61.3730 34.8774 173.8458 103 H 5.0286 8.7135 123.1981 54.0405 31.5673 174.3260 104 I 3.9184 8.7611 124.4265 64.1077 37.9593 176.3441 105 T 4.3295 7.7470 109.2095 59.5921 71.1094 173.9012 106 N 4.5550 8.2544 120.4996 52.0747 37.8939 175.2113 107 V 3.4537 8.2261 119.9552 64.7889 31.7570 178.2735 108 H 3.9648 7.7526 114.0196 57.2988 28.5158 175.5363 109 Q 4.2760 7.9955 120.1159 56.4514 29.6724 175.2822 110 R 4.8023 7.3887 117.1609 55.2540 32.4159 175.3835 111 E 3.9769 8.1633 118.1911 56.5180 30.1722 176.0864 112 P 3.5858 0.0000 0.0000 65.5081 30.8734 178.7214 113 F 4.3307 7.8549 112.2944 58.9661 37.7258 176.5533 114 R 3.5727 7.1358 117.4152 56.9559 30.2148 176.8001 115 H 4.4775 8.0951 116.4141 57.5537 29.2441 175.6975 116 Q 4.3974 7.3247 118.2110 54.8462 29.3068 175.2022 117 S 4.8378 8.1040 115.0915 56.9144 65.3707 173.7594 118 Y 4.5446 8.9752 124.1999 58.8257 38.0498 175.9097 119 L 4.7648 7.6816 120.7449 56.4439 43.3528 178.7961 120 S 4.2510 9.0087 114.9750 61.2169 62.7612 176.3462 121 D 4.5672 8.0988 116.0522 54.5175 39.5543 176.5405 122 K 4.3589 8.0791 117.8343 56.1232 33.8912 176.4106 123 A 2.7806 6.9894 120.9474 51.6273 18.9168 177.8262 124 V 3.7465 8.4956 121.2651 65.5325 32.1778 175.8725 125 A 4.6772 7.5195 119.5951 50.2874 23.3999 174.7952 126 V 4.7373 8.1211 117.7501 61.4529 34.2538 174.5381 127 I 4.5565 8.4987 129.6657 59.7159 39.2184 174.9351 128 C 4.9194 8.7292 121.8877 58.4224 31.9399 173.9788 129 G 4.0961 9.0556 112.7093 45.2722 0.0000 173.0942 130 L 4.6121 7.7951 119.5802 54.3369 43.0494 177.9489 131 G 3.8439 7.6413 106.2292 45.7062 0.0000 174.7411 132 V 3.8242 8.4292 115.5826 66.2975 31.4444 178.2583 133 Y 4.5500 8.4924 119.0279 60.3842 38.3546 178.1271 134 G 3.7056 8.0176 106.9844 48.2689 0.0000 174.9255 135 Y 4.2454 7.5176 119.1628 61.0318 37.8747 179.2057 136 T 4.2992 8.1203 116.9969 65.9991 68.5965 176.4337 137 A 3.7308 7.8464 122.7252 54.9977 18.4163 179.1117 138 A 3.9549 8.2208 119.7635 55.8218 18.3283 180.0273 139 I 3.6869 8.0626 118.0325 64.4204 36.9385 178.3360 140 E 3.9278 8.2577 118.8626 59.6909 29.6428 178.6780 141 Y 3.9187 8.2049 119.0276 60.7574 38.9113 177.1992 142 A 2.6077 8.2618 121.7270 55.3102 18.1580 179.2999 143 L 4.1196 8.1050 115.9076 56.3410 41.7301 177.8037 144 N 4.8089 7.4754 115.6818 52.7896 39.3247 173.2608 145 Y 4.3495 7.6151 120.4528 55.2526 40.2599 174.7657 146 Q 3.9928 8.0857 125.3840 56.3408 29.0780 177.0756 147 L 4.2613 8.4411 121.7519 55.0757 41.6683 177.0138 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 L 8.18 4.46 0.00 1.64 1.66 0.88 0.58 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 1 V 7.99 3.84 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 0.82 0.00 0.00 1.27 0.00 0.00 2 K 8.83 4.52 0.00 2.04 1.99 0.00 1.41 0.00 0.00 1.90 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.48 7.81 3 K 8.19 4.61 0.00 1.90 1.76 0.00 1.59 0.00 0.00 1.92 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.49 7.81 4 V 8.84 4.88 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 0.98 0.00 0.00 0.96 0.00 0.00 5 L 8.77 5.14 0.00 1.83 1.55 1.02 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.05 5.00 0.00 1.83 1.68 1.12 0.52 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 7 I 9.01 5.23 1.94 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 1.39 0.70 1.03 0.00 0.00 8 N 8.94 5.39 0.00 2.69 2.66 0.00 0.00 6.71 7.32 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 9 G 8.98 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 10 P 0.00 4.42 0.00 1.93 1.84 0.00 3.80 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.44 0.00 11 N 9.16 4.52 0.00 2.93 3.01 0.00 0.00 7.10 6.22 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 12 L 7.63 4.03 0.00 1.86 1.75 1.10 0.65 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 13 N 8.12 4.48 0.00 2.77 3.11 0.00 0.00 5.99 7.79 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 14 L 8.03 4.47 0.00 1.77 1.72 0.92 0.42 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 15 L 7.80 4.44 0.00 1.87 1.81 0.98 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.90 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.71 4.45 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 1.19 0.00 0.00 18 R 8.02 4.19 0.00 1.81 2.04 0.00 3.30 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 *23 Y 7.72 4.59 0.00 3.02 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 24 G 7.53 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 25 T 8.14 3.89 4.19 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 1.13 0.00 0.00 26 T 10.42 4.24 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 27 S 8.34 5.42 0.00 3.96 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.32 3.89 0.00 1.93 1.66 0.84 0.69 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 29 S 7.90 4.22 0.00 3.89 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 30 D 7.82 4.32 0.00 2.96 2.67 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 31 I 7.31 3.60 1.79 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 1.38 0.75 0.10 0.00 0.00 32 E 8.02 3.81 0.00 2.20 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 33 Q 7.85 3.96 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 34 A 8.23 3.99 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 35 A 8.21 3.90 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.82 3.68 2.02 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 1.69 1.32 0.91 0.00 0.00 37 E 8.38 3.93 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.46 0.00 38 Q 8.37 3.90 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 39 A 7.75 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.80 3.79 0.00 1.95 1.91 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.52 7.81 41 L 8.01 4.17 0.00 1.85 1.74 0.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.31 4.12 0.00 1.93 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.74 1.62 7.81 43 N 7.99 4.35 0.00 2.90 2.95 0.00 0.00 6.82 7.43 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 44 N 7.55 4.90 0.00 2.82 2.88 0.00 0.00 6.97 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 45 D 8.12 4.36 0.00 2.86 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 46 S 7.88 5.09 0.00 3.84 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 47 E 7.76 4.90 0.00 2.01 1.75 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 2.14 2.14 0.00 48 V 8.65 4.90 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 0.91 0.00 0.00 0.95 0.00 0.00 49 L 9.10 4.83 0.00 1.63 1.58 0.94 0.73 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 50 V 8.26 5.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.94 0.00 0.00 51 F 9.33 5.01 0.00 3.03 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 52 Q 7.05 5.32 0.00 1.91 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.51 0.00 0.00 0.00 0.00 0.00 2.35 2.06 0.00 53 S 8.32 4.59 0.00 3.85 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 54 N 8.89 4.56 0.00 2.74 2.80 0.00 0.00 6.92 7.54 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 55 T 8.37 4.32 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 0.36 0.00 0.00 56 E 8.76 3.75 0.00 1.16 1.63 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 2.11 1.89 0.00 57 G 7.83 3.61 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 58 F 8.11 4.44 0.00 3.27 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 59 I 8.17 3.91 2.13 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.06 0.99 0.00 0.00 60 I 7.83 3.59 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.94 0.73 0.00 0.00 61 D 8.76 4.28 0.00 2.76 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 62 R 7.71 3.62 0.00 1.07 1.61 0.00 2.63 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.37 0.00 63 I 7.55 3.68 1.92 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 1.44 0.56 0.89 0.00 0.00 64 H 8.13 4.34 0.00 3.31 3.30 0.00 5.66 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 65 E 8.21 3.88 0.00 2.02 2.00 0.00 0.00 0.00 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 2.35 0.00 66 A 8.26 4.16 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 67 K 7.78 3.77 0.00 1.88 2.00 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.54 7.81 68 R 8.05 3.92 0.00 1.99 2.00 0.00 3.24 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 69 Q 7.98 4.23 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.90 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 70 G 8.07 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 71 V 7.79 3.70 2.19 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 0.91 0.00 0.00 1.00 0.00 0.00 72 G 8.70 4.16 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 0.00 73 F 7.89 4.95 0.00 3.04 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 74 V 8.46 5.01 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 0.93 0.00 0.00 0.94 0.00 0.00 75 V 8.88 5.02 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 1.16 0.00 0.00 1.14 0.00 0.00 76 I 8.96 5.13 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.62 0.94 0.00 0.00 77 N 9.45 5.34 0.00 2.86 2.85 0.00 0.00 6.98 7.58 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 78 A 8.83 4.33 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 79 G 8.38 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 80 A 8.48 4.12 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 81 Y 7.78 4.71 0.00 3.15 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 82 T 8.23 3.97 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 83 H 8.26 4.92 0.00 3.32 3.49 0.00 5.59 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.04 4.74 4.33 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 1.34 0.00 0.00 85 S 8.14 4.63 0.00 3.70 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.49 3.39 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 0.79 0.00 0.00 0.05 0.00 0.00 87 G 7.78 3.55 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 0.00 0.00 0.00 88 I 7.84 3.70 1.82 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 1.35 0.52 0.81 0.00 0.00 89 R 7.66 3.84 0.00 2.07 2.07 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 90 D 8.58 4.32 0.00 2.96 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 91 A 8.04 4.02 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 92 L 7.92 3.86 0.00 1.70 1.68 -0.24 0.29 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 93 L 7.97 4.09 0.00 1.62 1.76 0.96 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.11 3.92 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 0.00 0.00 0.00 95 T 8.33 4.16 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 1.30 0.00 0.00 96 A 7.57 3.68 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 97 I 7.05 4.25 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 1.37 0.78 0.89 0.00 0.00 98 P 0.00 4.42 0.00 1.34 2.03 0.00 3.74 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 1.59 1.93 0.00 99 F 7.38 5.40 0.00 3.03 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 0.00 100 I 8.55 4.86 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.05 0.95 0.00 0.00 101 E 8.95 4.96 0.00 2.24 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 2.20 2.30 0.00 102 V 8.79 4.66 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.82 0.00 0.00 103 H 8.71 5.03 0.00 3.03 3.17 0.00 5.68 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.76 3.92 1.91 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.13 0.97 0.00 0.00 105 T 7.75 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 1.24 0.00 0.00 106 N 8.25 4.55 0.00 2.76 2.95 0.00 0.00 6.84 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 0.00 107 V 8.23 3.45 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 0.49 0.00 0.00 0.55 0.00 0.00 108 H 7.75 3.96 0.00 3.07 3.19 0.00 5.69 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 0.00 109 Q 8.00 4.28 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.61 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 110 R 7.39 4.80 0.00 1.80 1.67 0.00 3.17 0.00 0.00 3.13 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 111 E 8.16 3.98 0.00 1.25 1.67 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 2.41 2.30 0.00 112 P 0.00 3.59 0.00 2.10 2.01 0.00 3.52 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 2.07 2.05 0.00 113 F 7.85 4.33 0.00 3.20 3.30 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 0.00 114 R 7.14 3.57 0.00 1.57 1.75 0.00 2.94 0.00 0.00 3.15 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.00 115 H 8.10 4.48 0.00 3.21 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.32 4.40 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 117 S 8.10 4.84 0.00 3.85 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.98 4.54 0.00 3.09 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 0.00 119 L 7.68 4.76 0.00 1.89 2.03 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 120 S 9.01 4.25 0.00 3.85 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.10 4.57 0.00 2.80 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 0.00 122 K 8.08 4.36 0.00 1.92 1.95 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.59 7.81 123 A 6.99 2.78 1.12 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 0.00 0.00 124 V 8.50 3.75 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 0.86 0.00 0.00 0.78 0.00 0.00 125 A 7.52 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.12 4.74 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 0.98 0.00 0.00 0.92 0.00 0.00 127 I 8.50 4.56 1.77 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 1.19 0.75 0.82 0.00 0.00 128 C 8.73 4.92 0.00 2.98 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 9.06 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 0.00 130 L 7.80 4.61 0.00 1.58 1.65 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.64 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 0.00 132 V 8.43 3.82 2.19 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 1.16 0.00 0.00 1.10 0.00 0.00 133 Y 8.49 4.55 0.00 3.05 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 0.00 134 G 8.02 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 0.00 135 Y 7.52 4.25 0.00 3.16 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 0.00 136 T 8.12 4.30 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 1.35 0.00 0.00 137 A 7.85 3.73 0.93 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 0.00 138 A 8.22 3.95 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 0.00 139 I 8.06 3.69 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.82 0.92 0.00 0.00 140 E 8.26 3.93 0.00 2.07 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 2.38 2.51 0.00 141 Y 8.20 3.92 0.00 3.03 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 0.00 142 A 8.26 2.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.10 4.12 0.00 1.54 1.70 0.91 0.88 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 0.00 144 N 7.48 4.81 0.00 2.58 2.64 0.00 0.00 6.76 7.28 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 0.00 145 Y 7.62 4.35 0.00 2.86 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 0.00 146 Q 8.09 3.99 0.00 1.48 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.85 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 147 L 8.44 4.26 0.00 1.65 1.61 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.