NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2605 8.1749 115.2430 62.2461 68.4686 173.3296 2 R 4.2270 8.3690 126.5689 55.3377 30.5204 174.6602 3 K 4.2819 8.2676 120.6562 58.2217 33.1503 176.1910 4 C 4.1337 10.8045 121.0113 56.9819 38.3502 173.2552 5 E 4.1326 7.9206 118.6769 56.3742 29.5335 177.3203 6 L 3.8797 8.5220 123.0556 57.5576 41.9515 177.4960 7 Q 3.7546 7.5321 117.6823 55.4062 29.2392 176.8660 8 G 3.9859 7.7598 111.8563 43.4332 0.0000 170.7089 9 L 4.9943 7.6601 121.7993 53.0822 43.9892 175.3129 10 W 5.3569 9.5608 125.4986 54.9526 33.2733 174.3498 11 R 5.3390 9.7162 121.8440 54.8014 33.6180 173.7990 12 N 5.8605 8.7416 121.4633 49.7505 40.4508 175.2249 13 E 4.0264 8.6405 115.6285 58.8684 29.6598 178.4217 14 L 4.1927 8.0318 117.7518 55.3043 42.1182 177.5352 15 G 3.9300 8.4200 107.3767 45.3764 0.0000 173.8903 16 S 4.5434 8.2550 115.8672 58.4081 64.0112 172.9883 17 N 5.5511 9.1064 120.4079 51.8365 41.7196 173.5017 18 M 4.9673 8.9831 121.2537 54.1888 36.2417 173.6449 19 T 5.0755 9.3750 122.6891 61.8127 71.7651 173.0982 20 I 4.7232 8.5633 126.9249 59.5384 39.7467 176.0099 21 S 4.7916 8.9230 123.8612 57.1581 64.0688 173.9676 22 A 3.9939 8.5456 123.4185 52.7634 18.4327 177.5772 23 L 4.4292 8.2290 121.5885 54.3646 42.6376 177.1518 24 D 4.7434 8.6412 122.9677 52.4317 40.6583 177.4789 25 V 3.7006 8.2018 117.6723 64.2452 31.6748 177.4136 26 A 3.9835 7.9682 122.3196 53.6809 18.5201 178.1200 27 G 4.0527 8.5162 104.9013 45.0212 0.0000 173.2965 28 T 4.7061 8.0451 110.8718 61.2434 70.5079 173.7926 29 F 5.4089 8.5511 118.2606 55.6095 42.3402 172.9438 30 S 5.0892 9.2939 112.8800 56.9058 66.9964 172.5549 31 G 3.8929 7.2008 104.2300 46.5211 0.0000 171.1962 32 S 5.1348 7.8549 113.7729 57.3019 67.4231 172.6827 33 Y 4.8250 9.1221 121.5030 55.9857 42.1291 173.7360 34 Q 4.6281 9.6527 129.4206 54.5711 30.4269 174.3542 35 T 4.6324 8.9664 120.5406 61.6826 68.2387 174.4883 36 A 4.3326 8.5133 129.8345 53.3790 19.1871 177.9077 37 V 4.5622 7.6581 107.8561 59.8951 35.5231 174.7308 38 T 4.4636 8.0172 114.3955 60.9398 70.1768 173.4221 39 A 4.4045 8.3904 127.4611 52.2422 19.4865 177.0642 40 T 4.4988 7.5738 107.1036 60.3087 70.8441 174.0218 41 N 4.8965 8.4726 115.8956 52.6556 37.7068 174.7544 42 K 4.5619 7.4636 117.0335 55.0269 34.1809 176.3386 43 Q 3.8690 8.4506 122.6505 56.1020 29.3411 176.4051 44 I 2.0639 7.8435 126.4729 60.7295 37.6955 175.3666 45 L 4.8601 7.4195 124.0694 52.1841 45.0723 176.6020 46 V 4.1107 8.5706 121.5645 63.0326 31.7255 175.5872 47 S 4.9743 8.9955 118.3470 55.9327 67.2206 171.8999 48 P 4.9259 0.0000 0.0000 62.8022 32.5312 175.0029 49 L 5.2599 8.8268 121.5701 53.9562 44.3657 175.1559 50 K 4.6704 8.9169 120.8208 55.0121 35.6468 175.4422 51 G 4.0451 8.4445 113.4459 45.1203 0.0000 170.6144 52 A 5.1041 8.5024 119.7008 50.3450 22.7206 175.3304 53 Q 5.3289 9.2225 122.2047 54.3185 31.5490 175.5074 54 Q 4.4712 8.8181 123.5931 54.8264 29.6756 174.5588 55 P 4.3837 0.0000 0.0000 61.9897 32.0701 174.6786 56 P 4.4263 0.0000 0.0000 62.3427 32.1302 176.3776 *59 K 4.1414 8.3792 117.0377 55.9328 34.0857 176.9666 60 G 3.9788 8.5300 107.4045 45.2042 0.0000 172.9242 61 Q 4.6529 7.4754 118.1244 53.6456 30.8873 175.5702 62 Q 4.1192 8.3462 121.7492 55.0501 29.4508 174.5762 63 P 4.5131 0.0000 0.0000 62.4753 32.4644 176.2556 64 T 4.4708 8.2648 110.3793 62.0649 70.3262 172.8607 65 F 5.6050 8.8358 118.0080 55.8255 42.3749 173.1305 66 G 4.6570 9.3344 104.9654 45.2383 0.0000 171.6902 67 F 5.4505 8.8493 115.2866 55.9017 42.3193 172.8891 68 T 5.0180 9.1146 116.1907 61.7955 70.8408 173.5138 69 V 4.3320 8.7611 126.6119 61.2915 33.4391 174.5583 70 Q 4.2581 8.1741 130.5074 54.1013 28.2748 174.2636 71 W 4.3819 7.5568 124.7662 56.8133 29.2923 176.4500 72 Q 4.3528 9.6099 123.6333 56.8281 28.6266 176.3659 73 F 4.9866 7.5718 110.4973 55.9286 39.2876 174.2810 74 A 4.6218 7.0964 123.0332 50.8571 21.8295 176.8348 75 D 4.6289 8.6087 119.1747 55.4165 41.6097 176.7293 76 S 4.8795 7.4454 114.4471 57.8282 65.9269 173.0698 77 T 5.0723 8.8456 115.3242 62.4731 72.8016 173.5169 78 T 5.1902 8.4625 121.6304 61.9132 71.7421 173.7494 79 V 4.9241 8.4712 117.6812 59.6032 35.3951 174.6969 80 F 5.2941 8.8942 122.4286 55.5796 42.8211 174.5025 81 V 4.5887 8.9474 121.5878 60.2703 35.0239 174.8155 82 G 3.8869 7.9275 108.8067 46.2463 0.0000 171.4059 83 Q 4.9746 8.4264 119.4093 54.6560 32.7595 172.9426 84 C 5.2269 8.6472 124.6444 55.6372 43.2584 172.5744 85 F 5.0825 9.3445 122.6180 55.6891 43.2005 173.7229 86 V 4.9821 8.5872 121.5899 61.4807 33.3935 175.3534 87 D 4.8481 8.7699 129.4503 52.7001 41.7198 175.4302 88 R 4.0300 8.4866 115.9094 60.4200 30.2672 178.9839 89 R 4.0044 7.8880 115.0219 56.7711 29.9682 177.8914 90 G 3.9082 8.1134 105.0455 45.4967 0.0000 174.1393 91 K 4.2822 8.0845 122.1152 56.0204 33.2195 175.6593 92 E 5.2512 8.8799 126.8689 55.9265 31.2772 175.6180 93 M 5.3019 9.4424 122.5379 54.0298 37.0686 173.9522 94 L 4.9289 9.1130 124.0979 53.7886 43.6303 175.4924 95 E 4.9268 9.3262 124.9687 55.5993 31.0503 175.4683 96 M 5.4826 9.2367 123.6525 53.5167 36.7287 174.4325 97 A 5.3014 9.2681 123.3182 50.0664 23.0035 175.0570 98 W 5.4295 8.3001 115.6938 54.9789 32.4468 173.6954 99 L 5.3146 8.7516 120.2709 52.9968 45.0374 175.1578 100 L 5.0950 9.5501 126.3016 53.3529 44.4755 174.7643 101 R 4.9664 9.1886 127.6624 54.6836 31.8762 174.6997 102 E 4.6043 8.8520 127.0596 55.5320 30.6763 176.3893 103 E 4.1378 8.7080 124.6580 56.2747 30.2867 176.3378 104 V 4.5288 8.1580 119.6219 58.5457 34.8405 174.0128 105 P 4.3888 0.0000 0.0000 65.2519 31.5366 176.3539 106 S 4.7531 7.7437 111.4219 54.8983 66.4514 174.5984 107 R 3.9565 8.6042 120.2681 59.3920 29.3568 178.3520 108 K 4.2447 7.5607 117.1169 59.1144 32.9103 177.9055 109 D 4.7345 8.1352 119.3413 54.8611 41.0299 178.1231 110 T 3.8217 7.8444 112.3952 64.3775 68.3877 176.0532 111 W 4.3272 8.3687 118.0909 58.7870 27.8996 176.6120 112 K 3.5568 6.2275 115.0574 55.9727 32.0282 176.7888 113 A 4.0921 7.7942 122.7057 53.5450 18.8834 177.2080 114 T 5.0006 7.5036 112.0842 61.7416 71.3677 173.7436 115 R 4.7864 9.0249 126.2348 54.6841 32.6346 175.9612 116 V 4.2965 7.6338 120.2956 60.1279 34.9212 174.9033 117 G 3.2700 5.7201 106.6525 46.0748 0.0000 171.8553 118 T 5.2513 8.3615 108.7287 60.0218 72.1466 172.9865 119 N 5.9550 9.3753 118.1377 50.8537 43.8855 173.5874 120 V 5.0111 9.2159 121.2513 61.3627 34.4005 174.2312 121 F 5.6577 9.6355 127.0761 56.2042 41.7965 174.8701 122 T 5.4453 9.1845 112.2855 59.5907 72.4992 173.0271 123 R 3.7266 8.5290 123.3592 55.9141 30.6392 176.2642 124 V 3.7024 7.9205 127.3386 62.5541 32.2591 176.0918 125 K 4.0999 8.5177 125.8628 56.7938 31.9377 176.7834 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 T 8.17 4.26 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 2 R 8.37 4.23 0.00 1.97 2.00 0.00 3.16 0.00 0.00 3.31 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 3 K 8.27 4.28 0.00 1.71 1.80 0.00 1.90 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.58 7.81 4 C 10.80 4.13 0.00 3.18 3.39 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 5 E 7.92 4.13 0.00 2.06 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 0.00 2.40 2.44 0.00 6 L 8.52 3.88 0.00 1.14 1.00 -0.20 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 7.53 3.75 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.19 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 8 G 7.76 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 9 L 7.66 4.99 0.00 1.66 1.35 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 10 W 9.56 5.36 0.00 3.22 3.24 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 11 R 9.72 5.34 0.00 1.84 1.78 0.00 3.07 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 12 N 8.74 5.86 0.00 2.34 1.42 0.00 0.00 6.63 7.35 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 13 E 8.64 4.03 0.00 2.15 2.27 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 2.39 2.32 0.00 14 L 8.03 4.19 0.00 1.87 1.79 1.01 1.00 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 15 G 8.42 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 16 S 8.25 4.54 0.00 4.03 3.78 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 0.00 0.00 0.00 17 N 9.11 5.55 0.00 2.53 2.65 0.00 0.00 6.44 7.38 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 18 M 8.98 4.97 0.00 1.98 1.37 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 19 T 9.37 5.08 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 1.22 0.00 0.00 20 I 8.56 4.72 1.86 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.57 0.31 0.00 0.00 21 S 8.92 4.79 0.00 3.75 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 22 A 8.55 3.99 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.23 4.43 0.00 1.64 1.66 0.71 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.64 4.74 0.00 2.92 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 25 V 8.20 3.70 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 0.73 0.00 0.00 0.94 0.00 0.00 26 A 7.97 3.98 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 27 G 8.52 4.05 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 0.00 0.00 0.00 28 T 8.05 4.71 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 1.17 0.00 0.00 29 F 8.55 5.41 0.00 2.98 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 30 S 9.29 5.09 0.00 3.93 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.20 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 0.00 0.00 0.00 32 S 7.85 5.13 0.00 3.96 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 33 Y 9.12 4.83 0.00 2.99 2.78 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 0.00 0.00 0.00 34 Q 9.65 4.63 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 35 T 8.97 4.63 4.72 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 1.34 0.00 0.00 36 A 8.51 4.33 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 37 V 7.66 4.56 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 0.71 0.00 0.00 0.91 0.00 0.00 38 T 8.02 4.46 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 1.18 0.00 0.00 39 A 8.39 4.40 1.22 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 0.00 0.00 40 T 7.57 4.50 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 41 N 8.47 4.90 0.00 2.82 2.93 0.00 0.00 5.90 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.46 4.56 0.00 2.01 1.92 0.00 1.77 0.00 0.00 1.96 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.40 7.81 43 Q 8.45 3.87 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 44 I 7.84 2.06 1.59 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.16 0.77 0.00 0.00 45 L 7.42 4.86 0.00 1.91 1.68 1.02 0.94 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 46 V 8.57 4.11 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 0.76 0.00 0.00 1.00 0.00 0.00 47 S 9.00 4.97 0.00 3.91 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 48 P 0.00 4.93 0.00 2.07 2.16 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.95 0.00 49 L 8.83 5.26 0.00 1.87 1.68 0.74 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.92 4.67 0.00 1.79 1.57 0.00 1.49 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.25 1.31 7.81 51 G 8.44 4.05 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 0.00 0.00 0.00 52 A 8.50 5.10 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 9.22 5.33 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.67 0.00 54 Q 8.82 4.47 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.61 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 55 P 0.00 4.38 0.00 2.19 2.07 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 56 P 0.00 4.43 0.00 2.20 2.10 0.00 3.81 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 1.99 1.95 0.00 *59 K 8.38 4.14 0.00 1.93 2.04 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.46 7.81 60 G 8.53 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 0.00 0.00 0.00 61 Q 7.48 4.65 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 62 Q 8.35 4.12 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.02 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 63 P 0.00 4.51 0.00 2.32 2.22 0.00 3.75 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 2.06 0.00 64 T 8.26 4.47 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 1.20 0.00 0.00 65 F 8.84 5.61 0.00 3.55 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 66 G 9.33 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.85 5.45 0.00 3.20 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 68 T 9.11 5.02 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 1.16 0.00 0.00 69 V 8.76 4.33 1.09 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 -0.75 0.00 0.00 0.79 0.00 0.00 70 Q 8.17 4.26 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 71 W 7.56 4.38 0.00 2.93 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 9.61 4.35 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 73 F 7.57 4.99 0.00 3.17 3.15 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 74 A 7.10 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.61 4.63 0.00 2.66 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 76 S 7.45 4.88 0.00 4.05 3.96 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 77 T 8.85 5.07 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 1.23 0.00 0.00 78 T 8.46 5.19 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 79 V 8.47 4.92 2.02 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 0.68 0.00 0.00 0.89 0.00 0.00 80 F 8.89 5.29 0.00 1.51 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.95 4.59 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 0.78 0.00 0.00 0.88 0.00 0.00 82 G 7.93 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 0.00 0.00 0.00 83 Q 8.43 4.97 0.00 2.06 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.78 0.00 0.00 0.00 0.00 0.00 1.52 2.21 0.00 84 C 8.65 5.23 0.00 2.90 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 85 F 9.34 5.08 0.00 3.01 2.93 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 86 V 8.59 4.98 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 0.92 0.00 0.00 1.00 0.00 0.00 87 D 8.77 4.85 0.00 2.83 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 88 R 8.49 4.03 0.00 1.96 2.01 0.00 3.19 0.00 0.00 3.35 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 89 R 7.89 4.00 0.00 1.82 1.96 0.00 3.29 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 90 G 8.11 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 91 K 8.08 4.28 0.00 1.94 2.10 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.47 7.81 92 E 8.88 5.25 0.00 2.13 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 0.00 2.42 2.43 0.00 93 M 9.44 5.30 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.67 0.00 94 L 9.11 4.93 0.00 1.67 1.67 -0.67 0.37 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 95 E 9.33 4.93 0.00 2.19 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 2.60 2.51 0.00 96 M 9.24 5.48 0.00 2.38 2.47 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.56 0.00 97 A 9.27 5.30 1.09 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 0.00 0.00 98 W 8.30 5.43 0.00 2.59 2.18 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 99 L 8.75 5.31 0.00 1.60 1.58 0.89 0.51 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 0.00 100 L 9.55 5.09 0.00 1.63 1.76 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 101 R 9.19 4.97 0.00 1.90 1.91 0.00 3.31 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 102 E 8.85 4.60 0.00 1.82 1.80 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 2.28 2.20 0.00 103 E 8.71 4.14 0.00 2.13 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 0.00 2.28 2.33 0.00 104 V 8.16 4.53 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.88 0.00 0.00 105 P 0.00 4.39 0.00 2.18 2.18 0.00 3.75 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 2.23 1.95 0.00 106 S 7.74 4.75 0.00 4.04 3.96 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 0.00 107 R 8.60 3.96 0.00 1.91 2.00 0.00 3.19 0.00 0.00 3.40 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 108 K 7.56 4.24 0.00 2.11 1.98 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.58 7.81 109 D 8.14 4.73 0.00 2.81 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.84 3.82 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 1.31 0.00 0.00 111 W 8.37 4.33 0.00 3.60 3.32 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 0.00 112 K 6.23 3.56 0.00 0.89 0.74 0.00 1.19 0.00 0.00 1.43 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 0.81 7.81 113 A 7.79 4.09 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 7.50 5.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 115 R 9.02 4.79 0.00 1.96 2.06 0.00 3.15 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 116 V 7.63 4.30 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 0.52 0.00 0.00 0.62 0.00 0.00 117 G 5.72 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 0.00 0.00 0.00 118 T 8.36 5.25 4.35 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 1.10 0.00 0.00 119 N 9.38 5.96 0.00 3.23 2.60 0.00 0.00 6.32 7.29 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 0.00 120 V 9.22 5.01 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 1.11 0.00 0.00 1.06 0.00 0.00 121 F 9.64 5.66 0.00 2.91 3.20 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 0.00 122 T 9.18 5.45 4.39 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 1.38 0.00 0.00 123 R 8.53 3.73 0.00 1.12 1.55 0.00 2.92 0.00 0.00 2.78 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 124 V 7.92 3.70 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 0.74 0.00 0.00 0.91 0.00 0.00 125 K 8.52 4.10 0.00 1.75 1.67 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.