NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.4682 8.3649 120.1731 53.4052 42.4253 175.9278 5 R 4.5783 7.9967 115.5405 54.4193 36.0987 173.2945 6 L 5.0878 8.2353 120.1332 53.9405 43.6051 177.0618 7 T 4.0866 8.5430 111.4932 61.6805 69.6822 175.2119 8 N 4.3979 8.8713 120.1852 56.3540 38.3683 177.5438 9 K 3.9223 8.0213 120.6749 59.5465 32.3859 178.5168 10 F 4.3518 8.2874 120.9631 61.3415 39.4378 177.1718 11 Q 3.9949 8.5977 118.2746 59.0768 28.5223 178.8948 12 L 4.0814 8.4368 119.9504 57.2866 41.5724 179.4671 13 A 3.9795 7.7674 121.2476 55.2309 18.4002 179.6344 14 L 3.9918 8.1278 117.3102 57.8214 41.6112 179.7003 15 A 3.9804 7.9154 120.3946 55.2042 18.2506 179.2390 16 D 4.3228 8.4509 117.7529 56.7246 41.2923 178.1413 17 A 3.9987 8.3797 121.8567 55.2433 18.3315 179.3948 18 Q 3.8692 8.1977 118.1717 59.4017 29.2133 178.7039 19 S 4.1253 8.0934 115.2458 61.2685 62.5150 176.5007 20 L 4.0615 8.2009 122.8547 57.4889 41.3918 179.2695 21 A 3.8435 7.9594 120.7353 55.1255 18.4493 179.3691 22 L 3.9936 8.1151 119.1156 58.2519 41.9220 179.1388 23 G 3.7711 8.1173 103.8018 46.5395 0.0000 173.6644 24 H 4.8374 7.2626 116.0668 54.8869 29.4766 173.8152 25 D 4.4602 7.9631 118.2601 55.2190 38.8772 173.2694 26 N 4.8697 7.9666 115.1395 52.7931 39.0683 175.7160 27 Q 4.0946 8.5360 119.7703 56.9320 29.5329 175.7682 28 F 5.2104 7.7042 114.9403 55.5942 43.4138 174.2238 29 I 4.1774 8.8605 122.9185 60.6958 38.3383 175.2676 30 E 5.0010 9.0710 126.1919 53.8739 32.1515 175.3719 31 P 4.5645 0.0000 0.0000 65.8820 31.7878 179.0906 32 L 4.0428 8.1570 117.2022 58.2367 42.0600 178.1687 33 H 4.3352 8.3887 115.7696 59.0005 28.8329 178.9206 34 L 3.8770 7.4835 119.3188 55.3078 41.4118 178.6283 *36 S 4.3164 8.3262 112.5066 57.7804 64.1590 175.4456 37 A 4.1337 8.0318 122.9203 55.2484 18.2775 179.7028 38 L 3.9773 7.9217 114.8327 57.7015 41.7958 178.8618 39 L 4.1799 7.9663 117.6366 56.6689 41.7768 177.2611 40 N 4.9799 7.5895 112.9764 52.2223 37.8423 174.0824 41 Q 4.1298 7.6024 119.9987 55.5931 29.7757 174.9151 42 E 4.0973 8.7370 125.6446 57.6619 29.8848 176.7646 43 G 3.9085 9.0640 113.3374 45.8808 0.0000 173.7166 44 G 3.7688 7.9311 108.4126 45.6689 0.0000 174.7993 45 S 4.5144 8.3441 114.9024 58.9163 63.8332 176.8058 46 V 3.5378 7.5966 122.3473 66.1162 31.3584 177.7123 47 S 4.0940 7.9706 114.2591 61.3521 62.9108 174.6649 48 P 4.2521 0.0000 0.0000 65.5174 30.5946 178.4487 49 L 3.9488 7.9284 119.0715 58.1164 42.0452 179.0546 50 L 4.0506 7.9844 119.1768 58.0451 41.5487 179.6457 51 T 4.2724 8.1890 111.3623 64.2981 68.4312 176.6661 52 S 4.2437 7.8774 115.3977 60.4979 63.0360 175.3315 53 A 4.4444 7.3981 121.0328 51.4663 18.9585 177.0598 54 G 3.7733 8.4685 105.7214 46.4779 0.0000 173.6818 55 I 4.3534 7.6139 119.7059 58.6634 39.8365 174.9656 56 N 4.6992 8.6297 122.8905 52.9837 39.1445 175.4023 57 A 4.1391 8.6132 131.5441 54.9187 18.6593 179.1355 58 G 3.5333 8.0019 103.9330 48.1365 0.0000 175.6177 59 Q 4.0031 8.0055 121.9612 58.4458 29.1567 177.6615 60 L 3.9307 7.9529 121.5080 58.2019 42.0553 179.0220 61 R 3.9072 8.1602 118.0564 59.6984 30.0463 178.9664 62 T 3.8678 7.6877 114.6904 67.0039 68.5780 176.3513 63 D 4.3844 8.4841 120.9362 57.2929 40.7912 179.0268 64 I 3.6953 8.3195 120.6354 64.6052 37.2128 178.2534 65 N 4.4507 8.4467 117.5769 56.3740 38.0832 177.2979 66 Q 3.9746 7.9521 120.0999 58.9675 29.4669 177.7889 67 A 4.1527 7.9013 121.8726 54.9240 18.6018 179.5608 68 L 3.8880 8.4024 118.0327 57.9305 41.4736 179.2204 69 N 4.3017 8.0491 115.7916 56.2641 38.8829 176.5035 70 R 4.1533 7.5902 117.9953 57.0069 30.7416 177.0398 71 L 4.1711 7.0225 118.1907 53.7274 42.4847 175.3074 72 P 4.3605 0.0000 0.0000 63.0168 31.8802 175.1773 73 Q 4.6827 8.5912 121.0065 54.1309 31.5820 175.2743 74 V 4.1937 8.6659 124.9866 60.6384 32.8811 174.0945 75 E 4.4379 8.0999 128.8462 57.2688 29.4258 177.0113 76 G 3.9889 9.1997 115.0739 45.4419 0.0000 173.6227 77 T 3.7903 7.5341 113.9016 62.0627 67.6953 173.8621 78 G 4.1958 7.9832 116.0944 45.4148 0.0000 174.2328 79 G 3.8074 8.2416 111.4321 43.4480 0.0000 173.0634 80 D 4.3144 7.5762 120.1921 52.4945 40.4482 175.0676 81 V 4.3006 8.0724 125.6296 59.9866 32.8053 175.3412 82 Q 4.4590 8.2709 124.2710 54.6797 30.4354 173.6244 83 P 5.0549 0.0000 0.0000 62.3762 32.5523 176.3532 84 S 4.2279 9.0610 118.2502 57.9191 64.2414 175.1229 85 Q 3.9726 8.5029 120.7134 59.3041 28.6334 177.9330 86 D 4.3289 7.9602 119.7032 57.2028 40.8538 178.2695 87 L 4.0480 8.0870 120.9356 57.9844 42.0607 179.1326 88 V 3.5836 7.9227 118.2975 66.0295 31.4808 177.9698 89 R 3.8852 8.2076 118.5549 59.4584 29.9293 178.6559 90 V 3.6397 8.1436 118.2631 66.0950 31.5665 178.0780 91 L 4.2036 8.4420 119.0957 57.8207 41.4261 179.2519 92 N 4.4116 8.4406 116.7455 56.0745 38.3951 177.2339 93 L 4.0395 7.9850 121.9720 58.1349 42.0931 178.7638 94 C 4.2562 8.1974 116.9887 62.6844 27.9832 175.4745 95 D 4.3174 8.0502 119.6264 57.3119 40.7835 178.2389 96 K 3.9215 8.1503 120.0354 59.5211 32.2421 178.6688 97 L 3.9830 8.4307 119.4701 57.7772 41.5379 179.3959 98 A 4.0279 8.2908 120.8323 54.9922 18.0749 179.1800 99 Q 3.8809 8.0263 117.4605 59.5492 29.2159 178.4893 100 K 4.0306 8.1411 119.3600 59.5238 32.2453 178.3663 101 R 4.1244 7.8060 118.3584 57.5717 30.0483 177.2100 102 G 4.0740 8.0571 105.5345 45.1469 0.0000 172.9344 103 D 4.6063 7.7528 119.1796 53.9792 41.3944 176.3651 104 N 4.4928 8.7534 119.9035 54.5010 39.1693 174.8183 105 F 4.9820 7.7197 115.3831 55.6889 43.8307 174.4644 106 I 4.4990 9.1490 123.0613 60.1709 38.1616 175.5607 107 S 4.7057 8.7169 122.5710 57.6877 64.4435 175.4997 108 S 2.9692 8.7706 117.8952 61.6926 62.9419 176.6084 109 E 3.9599 8.2640 119.2602 59.6560 29.0804 179.3316 110 L 4.0307 8.0005 118.6571 57.4102 41.5788 179.1404 111 F 4.2747 8.1580 121.0381 61.2867 39.1027 177.1680 112 V 3.3362 7.5202 117.7941 65.9842 31.2676 177.7848 113 L 3.8781 7.8214 119.1655 57.9601 41.7837 178.5431 114 A 3.9094 8.1829 119.8274 55.1906 18.3330 179.0019 115 A 3.8462 8.0983 119.5140 55.2658 18.2744 179.9463 116 L 3.9086 7.5405 117.4015 57.8612 41.5784 178.8842 117 E 4.1793 7.7145 114.8458 57.5428 29.6361 178.2688 118 S 4.5529 7.5389 114.9086 57.4770 63.5899 172.0294 119 R 3.6362 7.4312 122.4869 56.6138 27.7325 175.1259 120 G 4.0728 7.6410 111.0267 44.3460 0.0000 171.7354 121 T 3.9502 8.6235 115.1577 66.7685 68.2996 176.0659 122 L 3.9290 7.9601 121.3283 58.1688 42.0318 178.6268 123 A 3.9278 7.9389 120.0919 55.2126 18.3134 179.1260 124 D 4.2760 8.3477 117.5402 57.6591 40.9078 179.1195 125 I 3.7053 7.7487 120.1730 64.2590 37.0999 178.5184 126 L 3.9541 8.1432 119.9595 57.9357 41.5534 179.8439 127 K 4.6282 8.5948 119.6523 58.8824 31.6704 179.3440 128 A 4.0255 7.9353 120.4078 54.7945 18.4201 178.8565 129 A 4.2236 7.8640 117.0637 52.9903 18.5086 178.1017 130 G 3.8455 7.9586 105.5585 45.2863 0.0000 173.1906 131 A 4.7893 8.0786 122.4732 50.6166 20.7336 177.4379 132 T 4.9928 8.1107 111.0072 59.3451 73.5487 175.3114 133 T 3.8480 8.4403 117.8232 66.5822 68.4155 176.7969 134 A 3.9657 7.8690 122.4866 55.2844 18.6228 179.3476 135 N 4.3605 8.2344 115.4732 56.0084 37.3317 177.5275 136 I 3.7625 7.9257 122.2664 64.2563 37.1405 178.3654 137 T 3.8378 7.9948 116.6542 66.7452 68.2553 176.4269 138 Q 3.9133 8.1729 121.1198 59.0164 28.8387 177.9992 139 A 3.9735 7.8974 120.7910 55.2737 18.5059 179.3831 140 I 3.7997 7.8303 117.2394 64.5449 37.2806 178.0291 141 E 4.1214 8.0852 118.1701 59.6659 29.4573 177.8097 142 Q 4.2921 8.1349 120.9527 56.1635 28.9973 175.8649 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 D 8.36 4.47 0.00 2.43 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.00 4.58 0.00 1.92 1.89 0.00 3.25 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 6 L 8.24 5.09 0.00 1.45 1.48 0.30 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.54 4.09 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 1.37 0.00 0.00 8 N 8.87 4.40 0.00 2.73 2.91 0.00 0.00 6.50 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 9 K 8.02 3.92 0.00 1.83 1.83 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.70 1.50 7.81 10 F 8.29 4.35 0.00 3.14 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.60 3.99 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.64 0.00 12 L 8.44 4.08 0.00 1.69 1.72 0.92 1.04 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 13 A 7.77 3.98 1.42 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 0.00 0.00 0.00 14 L 8.13 3.99 0.00 1.82 1.69 0.72 0.47 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 15 A 7.92 3.98 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 16 D 8.45 4.32 0.00 2.75 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 17 A 8.38 4.00 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 18 Q 8.20 3.87 0.00 2.12 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 19 S 8.09 4.13 0.00 4.09 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 20 L 8.20 4.06 0.00 1.97 1.85 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.96 3.84 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 22 L 8.12 3.99 0.00 1.73 1.81 0.89 0.89 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 23 G 8.12 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 24 H 7.26 4.84 0.00 3.25 3.29 0.00 5.81 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 7.96 4.46 0.00 2.91 2.94 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 0.00 26 N 7.97 4.87 0.00 2.89 2.83 0.00 0.00 6.96 7.01 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 27 Q 8.54 4.09 0.00 1.87 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 28 F 7.70 5.21 0.00 2.90 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 29 I 8.86 4.18 1.92 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 1.18 0.88 0.93 0.00 0.00 30 E 9.07 5.00 0.00 1.98 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 2.67 2.37 0.00 31 P 0.00 4.56 0.00 2.28 2.32 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 32 L 8.16 4.04 0.00 1.61 1.70 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.39 4.34 0.00 3.39 3.51 0.00 5.62 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.48 3.88 0.00 1.76 1.58 0.86 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *36 S 8.33 4.32 0.00 3.95 4.09 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 0.00 0.00 0.00 0.00 37 A 8.03 4.13 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 38 L 7.92 3.98 0.00 1.63 1.69 0.51 0.63 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 39 L 7.97 4.18 0.00 1.65 1.74 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.59 4.98 0.00 2.84 2.84 0.00 0.00 6.93 7.27 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 41 Q 7.60 4.13 0.00 2.43 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 42 E 8.74 4.10 0.00 1.94 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 2.29 2.37 0.00 43 G 9.06 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 0.00 0.00 0.00 44 G 7.93 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 45 S 8.34 4.51 0.00 4.15 4.09 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 0.00 0.00 0.00 0.00 46 V 7.60 3.54 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.89 0.00 0.00 47 S 7.97 4.09 0.00 3.90 3.89 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 48 P 0.00 4.25 0.00 2.14 2.10 0.00 3.66 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 2.22 2.14 0.00 49 L 7.93 3.95 0.00 1.85 1.90 0.93 0.69 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 50 L 7.98 4.05 0.00 1.89 1.70 0.96 0.44 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 51 T 8.19 4.27 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 52 S 7.88 4.24 0.00 4.07 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 53 A 7.40 4.44 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 54 G 8.47 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 55 I 7.61 4.35 1.99 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 1.18 0.94 0.94 0.00 0.00 56 N 8.63 4.70 0.00 2.83 2.72 0.00 0.00 7.10 8.18 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 57 A 8.61 4.14 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 58 G 8.00 3.53 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 0.00 0.00 0.00 59 Q 8.01 4.00 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.70 0.00 60 L 7.95 3.93 0.00 1.94 1.86 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.16 3.91 0.00 2.07 1.98 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 62 T 7.69 3.87 4.58 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 1.21 0.00 0.00 63 D 8.48 4.38 0.00 2.80 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 64 I 8.32 3.70 2.04 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 1.79 0.83 0.93 0.00 0.00 65 N 8.45 4.45 0.00 2.85 2.88 0.00 0.00 6.73 8.19 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 66 Q 7.95 3.97 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 67 A 7.90 4.15 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 68 L 8.40 3.89 0.00 1.79 1.67 0.93 0.33 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 69 N 8.05 4.30 0.00 2.78 3.02 0.00 0.00 7.28 6.94 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 70 R 7.59 4.15 0.00 1.98 1.97 0.00 3.22 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 71 L 7.02 4.17 0.00 1.88 1.66 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.36 0.00 2.23 2.01 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 73 Q 8.59 4.68 0.00 1.91 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.95 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 74 V 8.67 4.19 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 0.93 0.00 0.00 1.00 0.00 0.00 75 E 8.10 4.44 0.00 2.00 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 2.30 2.24 0.00 76 G 9.20 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 0.00 0.00 0.00 77 T 7.53 3.79 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 1.32 0.00 0.00 78 G 7.98 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 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 0.00 0.00 0.00 0.00 80 D 7.58 4.31 0.00 2.81 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 81 V 8.07 4.30 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 0.73 0.00 0.00 0.87 0.00 0.00 82 Q 8.27 4.46 0.00 2.28 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 7.12 0.00 0.00 0.00 0.00 0.00 2.20 2.08 0.00 83 P 0.00 5.05 0.00 2.01 2.07 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 84 S 9.06 4.23 0.00 3.74 4.09 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 0.00 0.00 0.00 0.00 85 Q 8.50 3.97 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 86 D 7.96 4.33 0.00 2.73 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 87 L 8.09 4.05 0.00 1.86 1.89 1.06 0.83 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 88 V 7.92 3.58 2.26 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 0.95 0.00 0.00 0.98 0.00 0.00 89 R 8.21 3.89 0.00 2.03 2.09 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 90 V 8.14 3.64 2.39 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 1.10 0.00 0.00 1.00 0.00 0.00 91 L 8.44 4.20 0.00 1.87 1.68 0.87 0.77 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 92 N 8.44 4.41 0.00 2.90 2.87 0.00 0.00 6.58 6.31 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 93 L 7.98 4.04 0.00 1.79 1.86 0.93 1.13 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 94 C 8.20 4.26 0.00 3.39 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 95 D 8.05 4.32 0.00 2.82 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 96 K 8.15 3.92 0.00 1.88 1.93 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 97 L 8.43 3.98 0.00 1.91 1.73 0.94 0.89 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 98 A 8.29 4.03 1.42 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 0.00 0.00 0.00 99 Q 8.03 3.88 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 100 K 8.14 4.03 0.00 1.76 1.98 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.50 7.81 101 R 7.81 4.12 0.00 1.88 2.11 0.00 3.34 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 102 G 8.06 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 0.00 103 D 7.75 4.61 0.00 2.73 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 0.00 104 N 8.75 4.49 0.00 2.80 2.58 0.00 0.00 6.79 7.45 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 0.00 105 F 7.72 4.98 0.00 2.89 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 0.00 106 I 9.15 4.50 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.18 1.16 0.00 0.00 107 S 8.72 4.71 0.00 3.93 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 0.00 108 S 8.77 2.97 0.00 3.71 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.26 3.96 0.00 2.00 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 2.39 2.39 0.00 110 L 8.00 4.03 0.00 1.95 1.81 1.06 0.99 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 0.00 111 F 8.16 4.27 0.00 2.99 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 0.00 112 V 7.52 3.34 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 0.89 0.00 0.00 0.95 0.00 0.00 113 L 7.82 3.88 0.00 1.77 1.80 0.96 1.13 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 0.00 114 A 8.18 3.91 1.36 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 0.00 0.00 115 A 8.10 3.85 0.82 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 0.00 116 L 7.54 3.91 0.00 1.78 1.68 0.86 1.03 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 0.00 117 E 7.71 4.18 0.00 1.90 1.97 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 2.32 2.62 0.00 118 S 7.54 4.55 0.00 3.96 3.89 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 0.00 119 R 7.43 3.64 0.00 2.07 1.96 0.00 3.34 0.00 0.00 3.38 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 120 G 7.64 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 0.00 121 T 8.62 3.95 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 1.21 0.00 0.00 122 L 7.96 3.93 0.00 1.78 1.65 0.95 1.11 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 0.00 123 A 7.94 3.93 1.45 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 0.00 0.00 0.00 124 D 8.35 4.28 0.00 2.83 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 0.00 125 I 7.75 3.71 2.00 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 1.52 0.76 0.91 0.00 0.00 126 L 8.14 3.95 0.00 1.79 1.68 0.82 1.14 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 0.00 127 K 8.59 4.63 0.00 1.77 1.84 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.52 7.81 128 A 7.94 4.03 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 0.00 129 A 7.86 4.22 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 0.00 130 G 7.96 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 0.00 131 A 8.08 4.79 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 0.00 132 T 8.11 4.99 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 1.20 0.00 0.00 133 T 8.44 3.85 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 1.24 0.00 0.00 134 A 7.87 3.97 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 0.00 135 N 8.23 4.36 0.00 3.01 3.08 0.00 0.00 7.12 7.05 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 0.00 136 I 7.93 3.76 1.90 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 1.72 0.92 0.89 0.00 0.00 137 T 7.99 3.84 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 1.25 0.00 0.00 138 Q 8.17 3.91 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 139 A 7.90 3.97 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 0.00 140 I 7.83 3.80 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 1.52 0.83 0.97 0.00 0.00 141 E 8.09 4.12 0.00 2.08 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 2.63 0.00 142 Q 8.13 4.29 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 * Residues marked with a * may have inaccurate shift predictions.