NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 3.8446 8.0427 122.4599 54.9729 44.1409 178.4915 2 E 3.6101 7.9743 118.6447 58.7488 29.3708 175.1944 3 E 3.8429 8.1839 118.3930 59.5874 30.0564 178.9563 4 V 3.5075 7.4826 117.3861 65.9366 31.5515 177.9013 5 I 3.5964 7.4585 119.4920 64.3126 36.8585 177.8942 6 E 3.8146 8.1417 120.1455 59.2688 29.1841 178.5156 7 Q 3.8107 7.7640 118.2774 59.1879 29.4310 178.2157 8 L 3.6888 7.7488 119.6962 57.7159 41.5360 179.6132 9 R 3.8692 8.0548 118.2361 59.4265 29.8480 178.8537 10 E 4.0379 8.2824 116.2407 58.0297 29.6370 178.0103 11 A 4.3827 7.2065 118.6278 50.8754 19.5623 176.6093 12 N 4.3928 7.0178 116.7660 54.5200 39.4326 173.8602 13 E 4.7365 9.1539 126.4048 54.1671 30.9546 174.4952 14 P 4.5093 0.0000 0.0000 63.1913 32.0746 175.9261 15 V 4.6008 8.0927 113.9640 58.9235 35.9475 173.9074 16 P 4.2532 0.0000 0.0000 65.3013 31.1109 177.3423 17 V 4.2173 7.4243 120.4646 59.9925 32.0218 173.1674 18 P 4.3798 0.0000 0.0000 62.6615 31.8050 176.7636 19 L 4.3102 8.2920 121.2656 54.6351 42.4722 176.2826 20 E 4.6064 8.4143 120.3815 54.7297 31.3667 175.3275 21 L 4.4796 8.1872 124.0208 53.0057 43.3159 174.7314 22 P 4.7658 0.0000 0.0000 62.4487 32.5487 175.2155 23 D 4.9252 8.4698 119.3089 51.5024 43.0396 177.0605 24 E 3.9598 8.5874 118.4818 59.8302 29.3143 179.4040 25 D 4.3899 8.1159 118.2821 57.4839 41.0165 178.6915 26 Q 4.0378 8.7721 118.9339 58.9185 28.6439 178.8234 27 L 3.9519 7.7963 119.6964 57.6185 41.5693 179.6301 28 V 3.7206 7.8732 118.2633 65.9971 31.4280 177.8378 29 E 3.9593 8.1922 118.2896 59.5632 29.3319 179.4758 30 I 3.6602 7.6358 119.4250 64.3066 37.1511 178.2264 31 E 3.8865 8.2285 119.4278 59.6403 29.4008 179.3852 32 E 4.0015 8.3335 118.4863 59.5516 29.2746 179.4495 33 Q 4.1089 8.1499 117.2173 58.3442 28.8831 177.9070 34 L 4.5172 7.8344 116.8940 53.2825 43.0544 175.8954 35 F 3.5718 7.9014 120.1747 58.7352 38.1791 173.7253 36 I 4.5382 7.7010 117.5614 59.4544 41.6549 172.8447 37 N 4.8956 8.3947 121.8468 51.5372 40.1455 174.1224 38 I 3.9634 8.9785 127.8488 59.9604 37.9234 174.8487 39 P 4.3898 0.0000 0.0000 62.7165 33.0015 176.6174 40 F 3.9401 9.0510 123.6369 61.9161 39.1992 177.9396 41 V 3.7684 8.1367 116.9698 65.9352 31.3370 177.5480 42 F 4.1702 8.2040 120.0607 61.1909 39.2596 176.8365 43 K 3.7406 8.2822 119.6587 59.3280 31.8193 178.3642 44 E 3.8644 8.1490 119.9287 59.0682 29.4740 178.5153 45 F 4.0014 8.3567 120.7905 61.4370 39.2333 177.0837 46 L 3.9955 8.1548 117.1896 57.7654 41.5170 179.0635 47 L 4.2589 8.0695 117.1402 56.2803 41.7878 178.1607 48 T 4.6321 7.5972 107.9621 61.9436 70.7785 175.1146 49 V 4.4506 7.8959 111.6949 60.6959 33.8590 176.5721 50 S 4.3535 8.0483 113.3205 59.3500 62.8221 174.1033 51 D 4.7681 7.8646 119.4332 53.3211 39.8044 176.1360 52 V 4.3233 7.8010 120.7676 62.5847 32.7785 175.2430 53 V 4.7137 8.9852 127.5365 61.5241 32.4430 173.5894 54 Y 4.7698 9.2602 126.4868 57.6474 41.7688 174.9066 55 G 3.4608 7.4897 113.4886 46.6488 0.0000 174.4086 56 S 4.7180 8.3717 119.7619 57.7307 63.4078 174.0347 57 L 4.8004 7.5150 119.6618 53.3131 44.3047 176.3839 58 E 4.4871 8.4283 121.7228 53.5971 30.1718 173.9134 59 P 4.5018 0.0000 0.0000 61.8084 32.4412 176.5886 60 V 4.1640 8.3880 115.1472 62.0768 32.3379 175.7911 61 T 4.8519 8.8701 112.4223 60.3048 72.6637 174.5291 62 V 4.5209 8.4101 111.1539 61.1441 33.7261 176.4109 63 T 4.3303 8.0450 109.3771 61.6434 69.7579 174.1348 64 D 4.5671 7.7462 121.6280 51.2187 41.8670 173.7056 65 P 2.0000 0.0000 0.0000 63.9992 31.1621 177.3431 66 Q 4.2496 7.8642 116.6775 55.9368 29.5995 175.9062 67 S 4.3822 7.9210 114.7011 57.9785 62.9425 174.2534 68 H 4.5800 8.8371 120.7095 57.1093 28.7581 175.7294 69 T 4.3206 7.8694 110.3431 61.2999 69.3916 173.1490 70 Y 4.5460 7.7809 124.3485 58.2139 39.4379 175.8328 71 L 3.6681 8.6268 130.1964 58.1370 42.1267 177.2978 72 P 3.9863 0.0000 0.0000 65.5165 31.2253 178.5035 73 E 3.9640 7.8495 116.9629 59.2494 29.4277 179.3106 74 V 3.5388 7.8275 118.4641 65.9472 31.5397 177.9430 75 C 2.8899 7.9016 116.5751 62.1854 27.7851 175.7242 76 A 3.9974 7.4228 122.2000 55.5962 17.9601 179.8604 77 T 3.7413 7.7388 113.7362 66.6441 68.5129 176.8957 78 A 3.2443 7.6103 122.8322 54.7520 18.1030 179.8003 79 W 4.5699 7.9599 119.0780 59.5195 28.8341 178.5749 80 D 4.3980 7.9972 118.1297 56.8637 40.3389 177.9658 81 L 4.2767 7.4934 119.6006 55.9722 42.2847 176.0913 82 G 3.5870 7.0803 107.2778 45.3181 0.0000 174.4771 83 V 2.2841 6.9073 122.5771 61.3751 31.9857 173.5228 84 P 4.2261 0.0000 0.0000 62.8167 31.6950 177.2275 85 R 2.5100 8.3626 122.8437 58.7927 29.9105 177.2875 86 E 4.0510 7.9357 113.8930 57.5422 29.9867 176.2987 87 L 4.8028 7.7970 120.5478 53.1712 43.5098 175.5247 88 I 4.5384 8.2760 124.3446 58.8420 39.0201 173.5791 89 P 4.5836 0.0000 0.0000 63.0483 31.3413 176.0437 90 I 4.1500 8.4954 123.0369 61.6899 40.7951 174.8084 91 C 4.6925 7.2345 120.0517 58.2808 34.6398 172.9056 92 Q 4.2292 8.7920 127.9538 56.1116 29.9963 175.6128 93 D 4.6116 8.6533 124.5353 53.1080 43.1310 176.8597 94 G 3.8709 7.9826 118.8037 46.2798 0.0000 172.2628 95 E 4.3559 8.9557 122.1467 55.8265 30.1122 174.8997 96 D 5.1960 7.6372 120.3275 53.5604 44.0135 174.9211 97 Y 5.0589 8.6799 116.7296 56.7872 42.6399 174.1657 98 Y 4.7789 9.1173 122.7368 57.6332 39.3307 174.5338 99 C 5.1640 9.3378 121.5553 57.8243 33.1473 172.9143 100 V 4.6799 8.4333 120.9841 61.1233 33.5338 175.6691 101 E 4.5375 9.3036 127.7207 55.6519 30.2614 177.7537 102 E 3.9978 8.7363 119.8362 59.4225 29.5210 177.9849 103 D 4.6545 8.0823 115.6402 53.1918 39.7502 177.0690 104 G 4.0517 8.1726 109.5081 45.5538 0.0000 174.5279 105 T 4.1920 8.0114 117.0217 63.8284 69.7740 173.3672 106 V 4.7214 8.8573 125.8119 61.5238 33.5633 174.6991 107 L 5.4796 9.4394 126.8125 52.9040 46.3370 174.8141 108 L 5.0855 8.6349 121.5704 53.2437 44.7879 174.4682 109 W 4.9345 9.3582 135.0000 55.9348 32.4256 174.5227 110 S 4.8163 8.3148 123.1469 55.9812 62.6648 174.6936 111 A 3.7403 8.2557 132.0798 51.9247 15.6486 175.2505 *115 L 3.8898 7.5250 124.2419 53.9031 43.7841 175.4322 116 V 4.2142 8.0781 120.2193 62.7603 32.0676 176.2661 117 T 4.3151 8.3740 117.2643 61.0356 70.6282 173.6695 118 E 4.2783 8.5853 117.6459 57.1422 30.4817 175.7477 119 E 4.2165 7.5266 118.8183 55.1846 30.8770 175.5030 120 S 4.5708 7.3837 114.6640 56.9041 66.2458 173.0175 121 W 4.8460 9.0998 120.1471 54.5752 31.9363 177.0110 122 E 3.9796 8.9054 122.0059 59.4270 29.3293 177.3971 123 S 4.8411 7.7074 111.6185 56.2441 66.9260 175.4041 124 V 3.3973 8.2023 120.9753 65.7336 31.0260 177.9380 125 W 4.6195 8.0822 118.4397 59.8888 29.0123 178.0988 126 H 4.3247 8.5018 116.2649 58.5610 28.0960 177.6080 127 W 3.4308 8.4669 130.0547 60.1556 30.3920 177.9108 128 A 3.9209 8.5665 121.1175 55.0950 17.6650 179.6745 129 R 3.7971 8.1188 116.2376 59.4371 30.4158 177.8190 130 D 4.6478 8.4646 116.2534 55.0628 41.3508 176.9966 131 V 3.9360 7.2650 116.5089 63.8787 33.1170 177.0708 132 W 4.0372 6.5177 127.3707 60.4764 30.6343 177.7942 133 L 3.8396 7.8667 115.7489 56.3484 41.0090 177.5165 134 E 4.5258 7.5953 117.5610 55.9387 30.0114 176.1662 135 S 4.3814 8.0098 119.7853 58.4844 63.3116 173.9534 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 L 8.04 3.84 0.00 1.52 1.56 -0.24 0.57 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 2 E 7.97 3.61 0.00 2.07 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 3 E 8.18 3.84 0.00 1.92 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 2.34 2.27 0.00 4 V 7.48 3.51 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 1.23 0.00 0.00 0.88 0.00 0.00 5 I 7.46 3.60 1.81 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.05 0.86 0.00 0.00 6 E 8.14 3.81 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 7 Q 7.76 3.81 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 8 L 7.75 3.69 0.00 1.77 1.42 1.10 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.05 3.87 0.00 1.85 1.94 0.00 3.25 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 10 E 8.28 4.04 0.00 1.92 1.95 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 2.30 2.38 0.00 11 A 7.21 4.38 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.02 4.39 0.00 2.71 2.83 0.00 0.00 7.09 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 9.15 4.74 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 2.33 2.60 0.00 14 P 0.00 4.51 0.00 2.08 2.06 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 15 V 8.09 4.60 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.02 0.00 0.00 16 P 0.00 4.25 0.00 2.05 2.13 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 17 V 7.42 4.22 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 0.84 0.00 0.00 0.94 0.00 0.00 18 P 0.00 4.38 0.00 2.09 2.00 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 19 L 8.29 4.31 0.00 1.84 1.63 1.05 0.93 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 20 E 8.41 4.61 0.00 1.96 1.87 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 2.24 2.28 0.00 21 L 8.19 4.48 0.00 1.59 1.56 0.98 0.98 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 22 P 0.00 4.77 0.00 2.21 2.04 0.00 3.87 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 23 D 8.47 4.93 0.00 2.97 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 24 E 8.59 3.96 0.00 2.03 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 2.42 0.00 25 D 8.12 4.39 0.00 2.85 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 26 Q 8.77 4.04 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 27 L 7.80 3.95 0.00 1.84 1.63 0.96 0.99 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 28 V 7.87 3.72 2.22 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 1.09 0.00 0.00 0.97 0.00 0.00 29 E 8.19 3.96 0.00 2.28 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 2.34 2.60 0.00 30 I 7.64 3.66 1.91 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 1.71 0.88 0.73 0.00 0.00 31 E 8.23 3.89 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.50 0.00 32 E 8.33 4.00 0.00 2.16 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 2.30 2.60 0.00 33 Q 8.15 4.11 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 34 L 7.83 4.52 0.00 1.71 1.93 0.82 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 35 F 7.90 3.57 0.00 3.08 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 36 I 7.70 4.54 1.93 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 1.25 0.87 0.95 0.00 0.00 37 N 8.39 4.90 0.00 2.63 2.65 0.00 0.00 7.04 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 38 I 8.98 3.96 1.70 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.42 0.00 0.00 39 P 0.00 4.39 0.00 2.31 2.09 0.00 3.82 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.24 0.00 40 F 9.05 3.94 0.00 3.23 3.17 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 41 V 8.14 3.77 2.22 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 1.22 0.00 0.00 1.29 0.00 0.00 42 F 8.20 4.17 0.00 2.91 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 43 K 8.28 3.74 0.00 1.79 1.70 0.00 1.62 0.00 0.00 1.48 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.31 7.81 44 E 8.15 3.86 0.00 1.89 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.48 0.00 45 F 8.36 4.00 0.00 2.43 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 46 L 8.15 4.00 0.00 1.77 1.69 0.49 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.07 4.26 0.00 1.63 1.73 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.60 4.63 4.34 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 1.36 0.00 0.00 49 V 7.90 4.45 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 1.02 0.00 0.00 0.62 0.00 0.00 50 S 8.05 4.35 0.00 4.00 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 51 D 7.86 4.77 0.00 3.01 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 V 7.80 4.32 2.38 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 0.60 0.00 0.00 0.94 0.00 0.00 53 V 8.99 4.71 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 0.95 0.00 0.00 1.03 0.00 0.00 54 Y 9.26 4.77 0.00 2.92 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 55 G 7.49 3.46 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 0.00 56 S 8.37 4.72 0.00 4.02 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 0.00 57 L 7.52 4.80 0.00 1.70 1.52 0.89 0.91 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 58 E 8.43 4.49 0.00 1.94 1.89 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 2.28 2.35 0.00 59 P 0.00 4.50 0.00 1.76 1.84 0.00 3.28 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 0.49 1.35 0.00 60 V 8.39 4.16 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 0.60 0.00 0.00 1.08 0.00 0.00 61 T 8.87 4.85 4.30 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 1.32 0.00 0.00 62 V 8.41 4.52 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 0.66 0.00 0.00 0.93 0.00 0.00 63 T 8.04 4.33 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 1.25 0.00 0.00 64 D 7.75 4.57 0.00 2.69 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 65 P 0.00 2.00 0.00 1.82 1.51 0.00 3.60 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.79 0.00 66 Q 7.86 4.25 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 67 S 7.92 4.38 0.00 4.00 3.90 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 68 H 8.84 4.58 0.00 3.34 3.41 0.00 5.54 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.87 4.32 4.34 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 1.13 0.00 0.00 70 Y 7.78 4.55 0.00 3.25 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 71 L 8.63 3.67 0.00 1.65 1.31 0.79 0.60 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 72 P 0.00 3.99 0.00 1.91 1.93 0.00 2.20 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.80 0.00 73 E 7.85 3.96 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 2.68 2.49 0.00 74 V 7.83 3.54 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 1.08 0.00 0.00 0.98 0.00 0.00 75 C 7.90 2.89 0.00 2.42 1.18 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 76 A 7.42 4.00 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 77 T 7.74 3.74 4.31 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 0.00 0.00 0.00 1.29 0.00 0.00 78 A 7.61 3.24 0.05 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 79 W 7.96 4.57 0.00 3.35 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 80 D 8.00 4.40 0.00 2.79 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 L 7.49 4.28 0.00 1.84 1.79 1.07 1.51 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 82 G 7.08 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 0.00 0.00 0.00 83 V 6.91 2.28 1.58 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 0.67 0.00 0.00 -0.37 0.00 0.00 84 P 0.00 4.23 0.00 2.20 1.96 0.00 3.51 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 85 R 8.36 2.51 0.00 1.13 1.58 0.00 2.21 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.05 0.00 86 E 7.94 4.05 0.00 2.09 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 2.23 2.33 0.00 87 L 7.80 4.80 0.00 1.80 1.66 0.99 0.71 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 88 I 8.28 4.54 2.12 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 1.45 0.77 0.99 0.00 0.00 89 P 0.00 4.58 0.00 1.71 1.87 0.00 3.23 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.64 0.00 90 I 8.50 4.15 0.56 0.00 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.93 -0.23 0.00 0.00 91 C 7.23 4.69 0.00 2.49 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 8.79 4.23 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.91 0.00 0.00 0.00 0.00 0.00 2.07 1.43 0.00 93 D 8.65 4.61 0.00 2.86 2.37 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 94 G 7.98 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 0.00 0.00 0.00 95 E 8.96 4.36 0.00 2.14 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 0.00 2.18 2.28 0.00 96 D 7.64 5.20 0.00 2.63 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.68 5.06 0.00 2.89 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 9.12 4.78 0.00 2.50 2.17 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 99 C 9.34 5.16 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 0.00 100 V 8.43 4.68 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 0.95 0.00 0.00 -0.00 0.00 0.00 101 E 9.30 4.54 0.00 2.16 1.89 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 2.36 2.44 0.00 102 E 8.74 4.00 0.00 1.97 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 2.33 2.32 0.00 103 D 8.08 4.65 0.00 2.79 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 0.00 104 G 8.17 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 0.00 105 T 8.01 4.19 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 1.33 0.00 0.00 106 V 8.86 4.72 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 0.80 0.00 0.00 0.71 0.00 0.00 107 L 9.44 5.48 0.00 1.68 1.65 1.07 0.45 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 0.00 108 L 8.63 5.09 0.00 2.09 1.67 0.25 0.92 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 0.00 109 W 9.36 4.93 0.00 3.44 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 0.00 110 S 8.31 4.82 0.00 3.69 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 0.00 111 A 8.26 3.74 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 *115 L 7.53 3.89 0.00 1.68 1.49 1.03 0.84 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 0.00 116 V 8.08 4.21 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 1.02 0.00 0.00 1.18 0.00 0.00 117 T 8.37 4.32 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 1.17 0.00 0.00 118 E 8.59 4.28 0.00 2.06 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 0.00 2.18 2.20 0.00 119 E 7.53 4.22 0.00 1.63 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 120 S 7.38 4.57 0.00 4.10 3.79 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 0.00 121 W 9.10 4.85 0.00 3.58 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 0.00 122 E 8.91 3.98 0.00 1.55 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 123 S 7.71 4.84 0.00 4.19 4.13 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 0.00 0.00 0.00 0.00 124 V 8.20 3.40 1.60 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 0.11 0.00 0.00 0.27 0.00 0.00 125 W 8.08 4.62 0.00 3.53 3.23 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 0.00 126 H 8.50 4.32 0.00 3.75 3.69 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 W 8.47 3.43 0.00 3.08 3.13 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 0.00 0.00 0.00 0.00 128 A 8.57 3.92 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 0.00 0.00 0.00 0.00 0.00 129 R 8.12 3.80 0.00 1.96 2.07 0.00 3.26 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 130 D 8.46 4.65 0.00 2.91 2.86 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 0.00 131 V 7.27 3.94 0.67 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 0.36 0.00 0.00 0.19 0.00 0.00 132 W 6.52 4.04 0.00 2.22 2.92 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 0.00 133 L 7.87 3.84 0.00 1.76 1.48 0.75 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 134 E 7.60 4.53 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 135 S 8.01 4.38 0.00 4.05 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.