NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 V 4.1534 8.0393 114.0558 61.6432 32.8743 174.1727 1 D 4.7993 8.5019 118.7410 53.5641 39.6434 173.5276 2 E 4.6496 9.0303 117.6881 56.8649 31.2347 176.8661 3 L 4.8102 8.0832 118.2426 53.9934 44.0869 176.4185 4 G 3.9298 8.9356 106.9033 45.1029 0.0000 173.9447 5 F 4.1908 9.3895 118.7692 56.8438 37.9713 175.2820 6 N 4.3689 7.7053 120.1629 53.3735 40.8850 175.3991 7 E 3.7187 8.6388 120.2453 59.7314 29.3420 179.3216 8 A 3.9072 7.7660 121.1137 54.7487 18.2941 179.0527 9 E 3.8727 7.7919 117.5097 59.2253 29.8326 179.0693 10 R 2.9825 7.5839 118.5435 58.8954 29.9971 178.8338 11 Q 4.0651 8.1086 119.2617 58.8192 28.8821 178.3879 12 K 4.0611 7.6939 119.9340 59.4119 31.8620 179.3503 13 I 3.8756 7.3941 119.1583 63.9797 37.1531 178.2785 14 L 4.3478 8.0957 120.0412 58.1361 41.4544 179.1635 15 D 4.4360 8.2564 118.7116 57.5133 40.5451 178.8420 16 S 4.2072 8.2946 112.9440 60.7669 62.7737 175.0836 17 N 5.0438 7.9407 116.8310 53.0661 38.5907 176.2226 18 S 4.5605 7.7378 115.4380 59.7214 63.4138 175.1588 19 S 4.2939 7.6179 116.6526 61.5097 62.3048 176.5746 20 L 4.1948 7.8058 119.6071 54.3866 40.0195 177.0006 *22 R 3.9396 7.9989 117.1557 57.3504 31.0541 175.9962 23 N 5.0750 9.2127 117.6028 54.4059 36.4155 175.8092 24 A 4.1315 7.5643 123.4193 55.7433 18.2360 180.4337 25 N 4.3522 8.0878 114.2592 56.4817 38.6847 177.4538 26 E 3.9934 8.1528 119.6346 59.1128 29.5099 179.3976 27 V 3.6636 8.2067 118.8761 65.8832 31.6328 178.0339 28 R 3.9113 8.0702 119.7293 59.0034 29.8858 178.0833 29 D 4.3584 8.3082 118.8556 57.4238 40.8659 178.9132 30 K 3.9698 8.2959 120.0503 59.2939 32.2274 178.6502 31 F 4.3417 8.6910 121.3356 61.3645 39.2999 177.0396 32 I 3.6325 8.3084 119.7872 64.7266 36.7646 178.3739 33 Q 3.8491 7.9868 117.2378 58.7529 28.5995 178.1734 34 N 4.3600 7.7185 115.2794 54.0794 39.0296 175.3370 35 Y 4.4689 7.6301 114.3476 56.3038 40.1179 176.2178 36 A 4.6184 8.0136 120.5278 51.7116 20.1581 177.9834 37 T 2.7649 7.3568 109.1968 64.1576 68.7158 176.4162 38 S 4.2133 7.8705 116.0693 60.4966 62.9797 175.8996 39 L 4.0206 7.6914 123.4766 58.0672 41.1284 179.2393 40 K 4.2394 7.8850 119.4923 58.2727 32.0713 176.8420 41 D 4.8908 7.8391 117.8307 54.0339 41.0123 176.6359 42 S 4.5331 8.0109 116.6942 58.9883 63.3436 175.6241 43 N 4.4834 9.8906 123.0385 56.2329 38.6942 175.3257 44 D 3.7410 7.9568 115.4452 50.3905 43.1142 174.3787 45 P 4.4725 0.0000 0.0000 66.2574 31.3091 178.4455 46 Q 4.3521 8.1653 114.5165 57.4726 29.0212 177.4593 47 D 4.3804 8.5531 119.9803 56.7632 41.2356 177.7273 48 F 4.4625 8.6556 123.1230 60.9446 39.4095 177.2572 49 L 3.8576 8.0276 118.1464 57.4860 41.3443 179.4676 50 R 3.8822 8.1914 118.9850 59.5300 30.0347 178.8265 51 R 3.9900 8.0177 117.7334 58.7341 29.9911 179.2352 52 V 3.4107 7.8106 118.8901 65.7518 31.3856 177.7420 53 Q 3.9444 8.2535 118.3663 59.3296 28.6605 179.0459 54 E 3.8743 8.0948 119.8366 59.0418 29.3629 178.5417 55 L 3.9769 7.7884 119.8065 58.1665 42.2413 178.6586 56 R 4.0077 7.8548 117.5951 59.4364 30.2386 178.2696 57 I 3.8438 7.9358 119.9680 64.0363 37.1506 178.9630 58 N 4.5152 8.5110 118.4988 53.0488 38.2946 177.3915 *60 Q 3.9424 8.0984 120.4830 55.8930 30.7613 178.1821 61 K 3.8855 7.9343 115.6782 58.7831 31.3609 177.4968 62 N 4.9056 7.9733 114.7788 52.0961 38.6015 174.9414 63 F 3.5955 7.6176 115.5348 58.0408 37.2413 175.7044 64 I 3.5615 6.6149 119.7590 60.9259 38.2976 175.1473 65 S 4.0700 7.6430 120.8060 56.0088 65.1639 174.2817 66 F 4.2394 8.0932 126.2738 59.6735 38.8599 177.3384 67 D 4.6095 8.2837 118.3792 57.6567 40.4495 178.7063 68 A 4.0627 7.8660 120.3836 55.5792 18.4895 179.1983 69 Y 4.5833 7.7377 115.1151 61.2149 37.8477 178.1423 70 Y 4.2567 8.4786 120.4039 60.9944 38.9594 177.8788 71 N 4.3325 8.4092 117.4097 56.1811 38.5852 176.6056 72 Y 4.2049 8.5382 121.4360 61.0065 38.8688 178.4486 73 L 3.6277 8.1030 119.5562 57.5629 41.6165 179.0278 74 N 4.0824 7.8235 116.9047 56.6712 38.7940 176.5058 75 N 4.2569 8.3549 118.1919 56.2512 38.6817 177.0401 76 L 3.8699 7.7454 121.6813 58.1976 42.1676 179.1481 77 V 3.6230 8.0312 118.5260 65.8131 31.3431 177.6940 78 L 4.0215 8.2199 119.9647 58.3187 42.1609 178.8100 79 A 4.0565 8.3263 120.8832 55.3275 18.2124 179.8604 80 S 4.1590 8.4830 113.7882 61.8266 62.8967 176.2154 81 Y 3.7059 8.3422 122.2731 60.7508 38.0394 177.8696 82 N 4.0817 8.5454 117.7752 56.0156 38.5282 177.5273 83 R 3.8171 7.7627 119.6552 59.7585 30.2945 178.4724 84 C 3.9534 7.7725 116.5361 62.3928 27.9302 176.0896 85 K 3.6521 7.7570 121.6519 59.1534 31.6356 178.7498 86 Q 3.8550 7.5316 119.0285 59.1293 28.9249 177.8186 87 E 3.9331 8.1751 119.6741 59.4653 29.6818 179.0775 88 K 3.9086 8.3802 119.6903 60.0085 32.1310 178.8150 89 T 4.0527 7.8623 116.9461 66.2720 68.5623 176.5760 90 F 4.0239 8.4297 122.2218 61.0980 39.2318 177.0194 91 A 3.9413 8.3108 120.8737 54.9029 17.8754 179.0769 92 E 4.0298 8.0916 115.4924 58.2378 29.4058 178.5367 93 S 4.4877 7.4843 113.7985 58.9804 63.5583 174.5655 94 T 4.1721 6.9730 114.4849 62.5479 70.3915 173.7904 95 I 4.3350 7.5068 121.7453 59.2599 38.5694 175.5150 96 K 4.0169 8.6128 126.0313 58.8700 32.5856 177.9651 97 N 4.4643 8.0072 118.0519 53.1941 39.6442 175.0053 98 E 3.9972 8.8875 128.4793 59.6952 29.6632 179.3923 99 L 4.0438 7.9981 118.4124 58.0712 41.5027 179.4304 100 T 3.9741 8.2442 115.6591 66.3868 68.2176 176.3951 101 L 4.3571 8.1102 122.7019 57.7352 42.0413 179.0292 102 G 3.6409 8.0454 105.9398 47.7380 0.0000 175.1832 103 E 3.9150 8.0362 120.9222 59.5522 29.5063 179.6433 104 F 4.2194 7.8433 116.0021 60.1856 39.2120 178.2995 105 V 3.6385 8.2978 118.1106 65.8369 31.3279 178.0323 106 A 4.0345 8.4808 121.1139 55.0180 18.2355 179.2409 107 E 3.9285 8.1851 117.8026 59.4782 29.8733 179.1323 108 I 3.8932 8.0395 120.1345 64.5425 37.2175 178.6293 109 S 4.3597 8.1262 114.8099 61.4790 63.0400 176.2168 110 D 4.7443 8.4712 122.5607 57.2227 40.4720 178.2447 111 N 4.6802 8.6002 116.8824 55.5255 38.6514 177.4448 112 F 4.3568 8.3647 122.1693 61.4074 39.6106 176.5920 113 N 4.2455 9.0304 117.1641 56.8685 38.7030 176.4998 114 N 4.4034 8.1700 117.2793 56.0157 38.7807 177.3617 115 F 4.2335 8.6409 122.6248 61.3114 39.4699 177.4448 116 T 3.5588 7.8407 109.4978 65.0110 68.8256 176.6149 117 C 4.0256 7.7961 119.7944 62.3857 28.0588 175.8978 118 D 4.3465 8.0478 120.5978 57.1770 40.4004 178.6109 119 E 3.9314 7.7016 118.8784 59.0705 29.4226 179.4010 120 V 3.5826 7.8945 118.3598 65.9082 31.4710 178.0069 121 A 4.0980 7.9281 120.4315 54.8726 18.1372 179.6681 122 R 3.7798 7.9948 117.3911 59.7201 30.2137 178.9059 123 I 3.5923 7.8115 119.6641 64.1827 37.0817 178.3436 124 S 4.2125 8.6329 114.4563 61.5697 62.3176 175.9244 125 D 4.3520 8.3830 121.8934 57.3222 40.3323 178.6006 126 L 3.9293 7.7694 119.7256 58.1855 42.4383 178.9330 127 V 3.5332 7.9070 118.0290 65.7296 31.3551 177.8484 128 A 4.1094 8.1237 120.8938 54.9421 18.0059 179.0526 129 S 4.4693 7.7668 110.1145 60.1063 62.9656 174.7870 130 Y 4.1324 8.4042 120.6760 59.5264 37.9059 174.9075 131 L 4.5855 7.7397 122.5098 52.4456 41.3541 172.5484 132 P 4.5918 0.0000 0.0000 61.7186 31.7178 177.8608 133 R 3.8981 8.7957 124.6487 59.0237 30.1130 177.4389 134 E 4.0042 7.8876 113.1196 57.4364 30.0113 176.4454 135 Y 4.7771 7.7442 116.9937 57.6964 38.7328 174.8463 136 L 4.2290 7.4335 121.1022 53.3720 42.3876 175.4532 137 P 4.0991 0.0000 0.0000 61.7520 31.6627 175.6700 138 P 4.2141 0.0000 0.0000 64.8801 31.4452 176.9461 139 F 4.6815 6.9988 112.8280 56.5596 38.1291 175.0926 140 I 4.0384 7.0867 123.0210 60.4012 37.7442 175.2991 141 D 4.8098 8.2633 124.5279 51.1381 41.5541 176.4898 142 G 3.7698 8.5499 107.5136 48.5191 0.0000 174.0621 143 N 4.5394 8.1372 120.5648 52.3817 37.5246 174.9903 *146 G 4.0755 8.0472 111.4471 45.2541 0.0000 173.0397 147 V 3.7902 7.9433 120.0311 65.4936 31.3490 177.9029 148 A 3.9744 8.0111 120.0321 55.2216 18.3082 179.3171 149 F 4.4942 8.0292 115.7787 61.0130 39.0974 177.8510 150 Q 4.1252 8.2696 117.6347 59.1237 28.4061 178.7266 151 I 3.8452 8.2852 119.9428 63.9002 37.2027 177.5961 152 L 4.3857 8.1514 117.7614 54.9227 42.1405 177.8054 153 G 4.1041 8.3267 108.5483 45.6626 0.0000 175.8682 154 I 3.8601 7.9348 120.9281 64.2644 37.4013 177.2419 155 D 4.3313 8.3036 118.9608 57.6942 41.1618 178.0659 156 D 4.3879 8.1584 117.7974 57.0677 41.2778 177.7945 157 F 4.2984 8.2828 121.2484 60.9206 39.3649 177.1517 158 G 3.6365 8.4182 105.7162 47.8497 0.0000 175.3364 159 K 3.8171 7.8022 121.1721 59.3626 32.0398 179.5724 160 K 3.9355 7.6939 117.7817 59.2184 31.8137 179.2629 161 L 3.8384 8.0087 121.2210 57.9266 41.9331 178.7009 162 N 4.2988 8.4494 117.0934 56.3274 38.4697 177.1445 163 E 3.9994 8.1513 119.8241 59.3738 29.4543 179.5621 164 I 3.6554 7.5614 120.0089 64.4175 37.2331 178.6427 165 V 3.5366 7.8882 119.0051 66.0507 31.3475 178.1205 166 Q 4.0105 7.9558 118.0094 58.8201 28.4657 177.9756 167 D 4.3660 8.1591 119.1653 57.0346 41.2458 178.2496 168 I 3.9601 8.0741 120.8875 64.4161 37.1004 178.4964 169 G 3.7617 8.1009 106.3994 48.3007 0.0000 175.8909 170 T 4.0698 7.8807 117.6169 66.0749 68.3718 177.1480 171 K 3.9568 8.4974 120.9924 59.0229 32.0791 178.7713 172 Y 4.1617 8.8330 120.5027 60.7800 38.5330 177.6785 173 I 3.6130 7.6443 119.4326 64.7625 37.4621 177.7713 174 I 3.8175 7.6581 119.7969 64.8514 36.8958 178.6798 175 L 3.9705 8.0403 118.4473 56.8737 41.4750 178.7090 176 S 4.5841 7.4479 111.8971 56.7277 63.5578 172.9325 177 K 3.7024 7.3059 124.5438 56.3629 31.3943 175.2740 178 N 4.2096 8.3691 123.6935 53.0636 39.5198 175.4426 179 K 4.1714 8.3820 117.3554 56.7474 32.3756 176.8786 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 V 8.04 4.15 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 1.08 0.00 0.00 0.95 0.00 0.00 1 D 8.50 4.80 0.00 2.90 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 2 E 9.03 4.65 0.00 1.88 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 2.17 2.18 0.00 3 L 8.08 4.81 0.00 1.72 1.69 0.57 1.05 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 4 G 8.94 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 9.39 4.19 0.00 2.95 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 6 N 7.71 4.37 0.00 2.70 2.75 0.00 0.00 6.72 7.66 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 7 E 8.64 3.72 0.00 2.09 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 2.31 2.29 0.00 8 A 7.77 3.91 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 9 E 7.79 3.87 0.00 2.01 1.82 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 2.66 2.55 0.00 10 R 7.58 2.98 0.00 1.54 1.06 0.00 2.69 0.00 0.00 2.63 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 11 Q 8.11 4.07 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 12 K 7.69 4.06 0.00 1.89 1.85 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.74 1.61 7.81 13 I 7.39 3.88 2.14 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.80 1.14 0.00 0.00 14 L 8.10 4.35 0.00 2.02 1.85 1.14 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.26 4.44 0.00 2.75 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.29 4.21 0.00 3.92 4.08 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 17 N 7.94 5.04 0.00 3.08 3.01 0.00 0.00 6.77 8.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.74 4.56 0.00 4.02 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 19 S 7.62 4.29 0.00 3.98 3.99 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 0.00 0.00 0.00 20 L 7.81 4.19 0.00 1.89 1.85 1.17 0.96 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 *22 R 8.00 3.94 0.00 2.03 1.93 0.00 3.25 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 23 N 9.21 5.07 0.00 2.99 2.98 0.00 0.00 7.48 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 24 A 7.56 4.13 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.09 4.35 0.00 2.82 2.87 0.00 0.00 7.11 7.66 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 26 E 8.15 3.99 0.00 2.20 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 2.42 2.44 0.00 27 V 8.21 3.66 2.42 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 1.25 0.00 0.00 1.01 0.00 0.00 28 R 8.07 3.91 0.00 1.87 2.01 0.00 3.25 0.00 0.00 3.15 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.04 0.00 29 D 8.31 4.36 0.00 2.96 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.30 3.97 0.00 2.14 1.90 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.47 7.81 31 F 8.69 4.34 0.00 3.29 3.38 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 32 I 8.31 3.63 2.09 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.79 1.02 0.00 0.00 33 Q 7.99 3.85 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 34 N 7.72 4.36 0.00 2.46 2.09 0.00 0.00 6.81 7.34 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 35 Y 7.63 4.47 0.00 2.06 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 36 A 8.01 4.62 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.36 2.76 3.75 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 0.51 0.00 0.00 38 S 7.87 4.21 0.00 4.05 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 0.00 39 L 7.69 4.02 0.00 1.94 2.04 1.03 0.63 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 40 K 7.88 4.24 0.00 2.02 2.07 0.00 1.85 0.00 0.00 1.63 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.36 7.81 41 D 7.84 4.89 0.00 2.72 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 42 S 8.01 4.53 0.00 4.20 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 0.00 43 N 9.89 4.48 0.00 2.70 2.88 0.00 0.00 6.83 8.09 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 44 D 7.96 3.74 0.00 2.63 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 45 P 0.00 4.47 0.00 2.21 2.26 0.00 3.39 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.23 0.00 46 Q 8.17 4.35 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0.00 3.17 3.34 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 0.00 73 L 8.10 3.63 0.00 1.78 1.57 1.00 0.38 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 74 N 7.82 4.08 0.00 2.54 2.76 0.00 0.00 7.23 6.86 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 75 N 8.35 4.26 0.00 2.82 2.98 0.00 0.00 6.71 6.39 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 76 L 7.75 3.87 0.00 1.18 1.44 0.90 0.89 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 77 V 8.03 3.62 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 1.03 0.00 0.00 0.82 0.00 0.00 78 L 8.22 4.02 0.00 1.90 1.84 0.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.33 4.06 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.48 4.16 0.00 4.45 4.24 0.00 0.00 0.00 0.00 0.00 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0.00 2.77 2.74 0.00 0.00 7.21 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 98 E 8.89 4.00 0.00 2.05 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 2.40 2.41 0.00 99 L 8.00 4.04 0.00 1.91 1.72 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.24 3.97 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 101 L 8.11 4.36 0.00 1.81 1.86 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 102 G 8.05 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 0.00 103 E 8.04 3.91 0.00 2.14 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 104 F 7.84 4.22 0.00 3.25 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 0.00 105 V 8.30 3.64 2.21 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 122 R 7.99 3.78 0.00 1.86 2.06 0.00 3.05 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 123 I 7.81 3.59 2.05 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 1.59 0.23 1.18 0.00 0.00 124 S 8.63 4.21 0.00 3.92 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 0.00 125 D 8.38 4.35 0.00 2.93 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 0.00 126 L 7.77 3.93 0.00 1.52 1.71 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 127 V 7.91 3.53 1.77 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 -0.63 0.00 0.00 0.18 0.00 0.00 128 A 8.12 4.11 1.34 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 0.00 0.00 0.00 129 S 7.77 4.47 0.00 4.07 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 0.00 130 Y 8.40 4.13 0.00 3.52 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 7.74 4.59 0.00 1.73 1.82 1.01 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.59 0.00 2.48 2.34 0.00 3.91 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.16 0.00 133 R 8.80 3.90 0.00 1.83 1.93 0.00 3.28 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 134 E 7.89 4.00 0.00 1.71 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 1.47 1.47 0.00 135 Y 7.74 4.78 0.00 3.11 2.99 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 0.00 0.00 0.00 136 L 7.43 4.23 0.00 1.68 1.42 1.07 0.85 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 0.00 137 P 0.00 4.10 0.00 0.49 1.15 0.00 3.03 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.19 0.00 138 P 0.00 4.21 0.00 2.16 2.12 0.00 3.38 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 139 F 7.00 4.68 0.00 3.06 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 0.00 140 I 7.09 4.04 1.43 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 -0.36 0.42 0.00 0.00 141 D 8.26 4.81 0.00 2.77 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 0.00 142 G 8.55 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 0.00 0.00 0.00 143 N 8.14 4.54 0.00 2.87 2.91 0.00 0.00 6.89 7.94 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 *146 G 8.05 4.08 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 0.00 0.00 0.00 147 V 7.94 3.79 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 1.04 0.00 0.00 1.02 0.00 0.00 148 A 8.01 3.97 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 0.00 149 F 8.03 4.49 0.00 3.40 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 8.27 4.13 0.00 2.35 2.20 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 2.63 2.73 0.00 151 I 8.29 3.85 1.86 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 1.52 0.65 0.89 0.00 0.00 152 L 8.15 4.39 0.00 1.84 1.89 1.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 153 G 8.33 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 0.00 154 I 7.93 3.86 2.25 0.00 0.00 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 1.58 0.95 0.80 0.00 0.00 155 D 8.30 4.33 0.00 2.92 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 D 8.16 4.39 0.00 2.87 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 0.00 157 F 8.28 4.30 0.00 3.30 3.16 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 0.00 158 G 8.42 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 0.00 159 K 7.80 3.82 0.00 1.98 1.85 0.00 1.82 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 160 K 7.69 3.94 0.00 1.65 1.35 0.00 0.78 0.00 0.00 1.25 0.00 0.00 2.79 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.23 1.46 7.81 161 L 8.01 3.84 0.00 1.66 1.52 0.50 0.66 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 0.00 162 N 8.45 4.30 0.00 2.87 2.82 0.00 0.00 6.96 7.53 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 0.00 163 E 8.15 4.00 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 2.33 2.54 0.00 164 I 7.56 3.66 1.93 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.72 0.79 0.00 0.00 165 V 7.89 3.54 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.87 0.00 0.00 166 Q 7.96 4.01 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 167 D 8.16 4.37 0.00 2.70 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 0.00 168 I 8.07 3.96 2.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.44 0.84 0.00 0.00 169 G 8.10 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 T 7.88 4.07 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 1.19 0.00 0.00 171 K 8.50 3.96 0.00 2.16 1.64 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.55 1.29 7.81 172 Y 8.83 4.16 0.00 3.22 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 0.00 173 I 7.64 3.61 2.10 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.97 0.91 0.00 0.00 174 I 7.66 3.82 2.07 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 1.52 1.71 0.99 0.00 0.00 175 L 8.04 3.97 0.00 1.45 1.55 0.08 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 176 S 7.45 4.58 0.00 3.70 3.19 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 0.00 177 K 7.31 3.70 0.00 1.63 1.80 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.48 7.81 178 N 8.37 4.21 0.00 2.73 2.79 0.00 0.00 7.11 7.61 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 0.00 179 K 8.38 4.17 0.00 1.71 1.70 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.47 7.81 * Residues marked with a * may have inaccurate shift predictions.