NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.9164 8.3129 109.7596 45.5456 0.0000 176.5511 *2 E 4.3112 9.3816 118.2102 55.7418 32.3828 178.5747 3 N 4.5934 8.0654 114.6692 55.9604 39.4381 176.4231 4 F 4.0719 8.4940 120.6791 60.8863 39.5588 175.5747 5 I 3.6652 7.4060 120.3589 62.6427 37.3666 176.3601 6 G 4.1412 8.9689 114.0024 45.3267 0.0000 173.3985 7 S 4.3812 7.7044 117.2832 58.9266 63.7500 172.9944 8 H 5.7404 9.1608 124.3339 53.6416 33.0660 172.8550 *10 I 4.5856 8.0636 122.7061 61.3984 38.8032 174.1408 11 Y 5.3909 8.6948 123.9275 55.5219 41.7459 174.4458 12 T 5.0792 8.9550 117.7357 62.1577 72.0255 173.9379 13 Y 4.5083 8.9676 124.5768 56.7993 39.0340 176.2130 14 E 3.9927 8.0600 121.4792 59.4035 29.6182 177.4199 15 N 4.4636 7.9754 113.2072 52.8184 37.5072 175.8291 16 G 4.0762 8.4617 108.2090 45.1040 0.0000 174.1647 17 W 4.7363 8.6755 120.8071 57.0105 30.5889 174.8939 18 E 5.2465 9.5597 123.5269 54.9634 31.6866 174.5767 19 Y 5.1865 8.8932 122.3024 56.0547 41.4155 174.3582 20 E 5.0569 9.1764 123.5285 54.4923 32.5685 174.4081 21 I 5.2997 8.4997 124.8809 59.6032 42.5998 172.8426 22 Y 5.2496 9.1059 128.2499 56.1738 41.8725 174.6278 23 I 4.2562 8.5383 129.2597 60.0978 36.0381 176.5487 24 K 2.7535 8.1608 128.7157 58.2967 32.6239 176.1247 25 N 4.8062 7.0912 113.9391 51.9750 39.3714 174.0367 26 D 4.7338 8.5911 116.6631 55.1943 39.6036 176.3120 27 H 5.1797 8.6380 114.1412 55.4317 31.2331 172.6657 28 T 5.1481 7.9875 115.3657 62.4450 73.0572 172.9293 29 I 4.8966 8.5698 118.1279 59.1766 41.4356 173.8576 30 D 5.5855 8.6302 122.3257 53.0432 44.3236 174.7639 31 Y 5.4809 8.7816 118.2182 56.4305 42.3422 173.7320 32 R 5.0856 9.4290 119.7444 55.5427 34.3076 173.3556 33 I 4.5030 8.9090 127.7084 60.1393 38.9084 175.8756 34 H 4.6962 8.9418 123.8641 56.4713 29.6182 175.4826 35 S 4.3057 7.8111 112.5727 57.7198 66.5617 172.0608 36 G 2.0000 7.1843 115.2246 45.0385 0.0000 174.4275 *38 V 3.9150 7.4736 108.5588 59.5292 33.7463 175.5893 39 A 4.1435 7.3867 122.4610 54.1881 18.5028 178.6633 40 G 4.0803 8.9574 111.5252 45.1481 0.0000 174.2439 41 R 4.5485 8.0903 121.3081 56.3362 31.2971 175.5171 42 W 5.6341 8.9202 121.7556 55.3600 32.2154 173.7073 43 V 4.6163 8.7227 120.7379 61.3985 34.4853 174.0040 44 R 5.0152 8.7370 126.0247 54.8562 33.1254 175.0896 45 D 4.2865 9.3607 119.7802 55.4608 38.8512 174.0657 46 Q 4.1305 7.8789 120.9922 55.4384 30.1235 174.6132 47 E 4.5911 8.7689 128.3023 56.5302 30.6726 176.0283 48 V 4.9091 8.8224 118.9332 59.7984 37.0930 173.5729 49 N 4.7874 9.2759 121.7534 52.6427 40.3687 173.7247 50 I 5.3070 8.5403 126.5695 59.7984 39.8461 175.2572 51 V 4.6348 8.8487 119.5072 59.3533 36.2857 174.5461 52 K 4.2786 8.5423 124.1250 55.2793 32.2206 176.4170 53 L 4.0306 8.5922 129.1673 57.6528 42.1408 176.5385 54 T 3.9917 6.9524 110.4837 60.9242 69.9290 171.1007 55 E 3.9822 8.6918 124.3444 57.8830 29.5559 176.8894 56 G 3.9602 9.0626 113.6131 45.3354 0.0000 172.6969 57 V 4.4839 7.4575 119.6694 61.1626 34.4756 174.0036 58 Y 4.9588 8.9280 125.0354 55.9104 41.9575 174.5289 59 K 5.0783 9.1070 122.1000 54.8032 36.0297 175.1132 60 V 5.2560 9.3662 126.7810 61.5651 34.5961 174.2996 61 S 5.3982 9.3529 123.2711 57.1262 67.7080 172.9863 62 W 5.0524 8.5476 118.2020 56.4774 31.6006 172.7865 63 T 5.0568 8.8679 114.7930 60.5254 69.4386 172.8315 64 E 5.0435 8.9635 125.6360 53.9190 32.4522 175.6507 65 P 4.3231 0.0000 0.0000 65.5716 31.5373 178.0318 66 T 4.4707 8.0057 106.8504 62.7095 69.1911 175.3978 67 G 4.1460 8.3731 110.9058 45.3561 0.0000 174.2085 68 T 4.2065 7.8634 117.0492 63.9514 69.6303 173.0448 69 D 5.2873 8.7594 125.2344 52.5179 44.1455 175.4731 70 V 4.4465 8.2755 121.6362 60.9851 35.1928 174.1208 71 S 4.8273 8.8154 121.5237 56.7196 65.3543 172.3794 72 L 5.0351 9.1777 127.6353 52.9773 44.5813 175.3254 73 N 5.4168 8.9065 119.2919 51.7896 41.6389 174.0169 74 F 4.8557 8.7203 121.5951 55.5103 42.7818 173.5119 *76 P 4.4474 0.0000 0.0000 63.4992 33.0437 178.7584 77 N 4.4679 8.3042 114.0305 55.5653 38.6200 175.4548 78 E 4.3793 8.2026 114.8938 55.1877 30.5324 175.5148 79 K 3.8742 7.8279 117.8822 57.2409 30.1814 173.7499 80 R 4.8764 7.3919 115.7512 54.3016 33.7849 172.3538 *82 H 4.2942 8.5004 116.4370 55.9594 31.1170 172.6259 83 G 4.2846 8.3107 111.0914 44.2342 0.0000 170.9995 84 I 4.7288 8.3120 122.1880 58.6889 41.1508 174.0945 85 I 4.3347 7.9177 129.2937 59.3530 40.3255 174.5925 86 F 4.7697 8.8847 126.6523 55.9311 40.0354 174.2332 87 F 4.9664 8.9583 123.7020 55.2819 40.6747 174.4004 88 P 4.6190 0.0000 0.0000 62.5045 32.1957 177.0008 89 K 3.9197 9.1170 123.0877 59.8053 31.9061 179.3304 90 W 4.3045 8.1610 116.3632 59.4954 27.8389 178.5251 91 V 2.8953 6.9417 119.2744 65.6730 30.5884 177.5155 92 H 3.9213 7.8575 116.9183 58.8896 29.8340 176.4072 93 E 4.0610 7.8982 119.0210 57.4982 30.7756 176.2291 94 H 4.9643 8.3577 116.3745 53.5356 29.8184 173.2166 95 P 4.4310 0.0000 0.0000 65.4529 31.4730 177.4670 96 E 4.0056 8.1561 118.2373 58.7260 29.3166 178.4536 97 I 3.8409 7.6016 119.5622 64.3629 37.2968 176.9113 98 T 4.1898 7.8428 107.1826 62.3848 69.1544 175.0868 99 V 4.1634 7.4010 123.6443 62.5411 31.2016 174.2497 100 C 4.7717 7.8661 121.5114 57.5878 32.8821 172.3539 101 Y 3.5086 8.1449 120.1577 56.6953 37.8458 175.4521 102 Q 3.8813 8.4512 129.7307 58.9094 29.4268 178.5149 103 N 3.9900 6.8309 114.0027 55.6513 38.4566 175.1389 104 D 4.6468 7.0651 115.5429 54.3522 40.9770 176.1635 105 H 4.9549 8.1631 117.5146 55.4114 30.2927 176.0578 106 I 3.7330 8.0585 122.2604 64.6217 37.4068 177.6294 107 D 4.4684 8.0998 119.7684 57.2947 40.9459 178.4230 108 L 4.3117 7.5947 120.2491 55.1614 41.2862 178.7568 *110 K 4.2283 8.1858 118.3424 55.9591 34.3448 177.9412 111 E 3.8619 8.5456 119.4421 59.4503 29.4616 179.1755 112 S 3.6603 8.0028 115.4959 61.1726 62.5539 176.7683 113 R 3.5615 7.4509 116.9809 58.3847 29.3868 177.7417 114 E 4.2251 7.2493 117.0844 57.9760 30.0762 177.9439 115 K 3.8275 7.4889 119.1669 57.7647 32.3831 176.2541 116 Y 4.8045 6.6732 114.8582 55.7377 40.4762 175.0114 117 E 4.3440 8.6603 120.1797 56.9386 30.5132 178.2460 118 T 4.2306 8.4709 118.0804 64.5324 69.6062 174.5150 119 Y 5.2222 7.4778 116.8801 55.0257 41.1079 173.4253 120 P 4.7946 0.0000 0.0000 62.6596 32.3165 176.3348 121 K 4.4542 8.8818 120.9489 56.8644 33.3845 175.7567 122 Y 4.7606 9.0897 124.3728 56.3217 40.2880 174.4163 123 V 4.4785 8.1951 126.9525 60.9435 34.0457 174.8655 124 V 4.0698 8.3822 128.2039 60.4569 33.7035 171.8595 125 P 5.0613 0.0000 0.0000 61.2883 32.9141 174.6035 126 E 4.6416 8.4429 122.6423 55.2449 33.4567 174.7822 127 F 4.6069 8.8627 124.2666 57.4396 39.8055 174.4004 128 A 4.6407 7.9502 122.2783 50.6337 22.9340 174.8674 129 E 4.5914 8.7653 119.2586 55.5760 31.3391 176.1630 130 I 4.7462 8.6480 126.4609 61.4398 37.2752 175.8457 131 T 4.6415 8.9794 117.2799 61.3880 69.7173 174.1539 132 F 4.8879 7.9954 123.4823 57.2556 42.5539 173.0181 133 L 4.5728 7.3038 126.8742 53.4893 45.0918 174.7173 134 K 4.4206 8.6481 126.6637 54.7499 36.2044 174.1456 135 N 4.9948 8.7327 125.9289 53.0701 39.4592 174.0757 136 E 4.3722 9.2142 125.5621 55.8388 30.5519 177.2749 137 G 3.8542 8.6619 110.7433 44.8392 0.0000 172.6922 138 V 4.2984 8.0749 117.6857 62.6476 32.6065 175.0864 139 D 4.3012 8.6074 125.5593 55.3383 38.3984 174.2896 140 N 4.6229 8.4318 118.8270 52.7767 38.1966 174.8255 141 E 4.3658 8.6542 124.7747 57.3758 29.9403 177.5501 142 E 4.3113 8.0533 117.9533 56.8672 30.3773 177.8081 143 V 3.3479 7.2713 117.9800 65.2188 31.4191 176.4054 144 I 4.1909 7.3807 123.2132 59.3402 37.7099 174.7525 145 S 4.7219 7.5642 115.7707 57.2859 64.2546 173.0609 146 Y 3.6996 6.0105 117.0380 55.7352 40.1033 173.6484 147 A 2.9422 7.6177 123.0993 50.3002 19.1196 175.6826 148 P 4.2857 0.0000 0.0000 62.9125 31.8518 175.0993 149 Y 4.8348 7.4305 117.0494 54.5002 41.2837 174.3743 150 E 3.8045 8.8663 121.0519 57.8680 30.1641 175.1657 151 G 3.5243 8.4822 115.8401 46.0381 0.0000 172.9760 *153 T 4.0111 7.7682 114.0413 61.8860 71.3511 177.1473 154 D 4.2570 7.8916 121.5378 57.3619 40.9613 178.2628 155 D 4.3550 7.9205 119.0326 57.2120 40.7613 178.9938 156 I 3.5224 7.3920 119.8601 64.4688 36.9829 178.6293 157 R 3.7617 7.5978 117.1579 58.7531 29.9235 178.4231 158 A 4.2617 8.0458 119.2019 52.2327 18.5603 177.7731 159 G 3.8614 7.6621 105.2425 46.6303 0.0000 174.6895 160 R 4.3425 7.7994 114.0632 55.7468 30.1877 176.3637 161 L 4.2665 7.7083 123.9044 55.1929 41.8193 176.2688 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 G 8.31 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 E 9.38 4.31 0.00 2.03 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 2.13 1.91 0.00 3 N 8.07 4.59 0.00 2.86 2.92 0.00 0.00 6.85 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 4 F 8.49 4.07 0.00 2.09 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.41 3.67 1.82 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.93 0.78 0.00 0.00 6 G 8.97 4.14 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 0.00 0.00 0.00 7 S 7.70 4.38 0.00 3.23 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 9.16 5.74 0.00 3.11 3.36 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *10 I 8.06 4.59 1.98 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.51 0.96 0.00 0.00 11 Y 8.69 5.39 0.00 2.94 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 12 T 8.96 5.08 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 1.28 0.00 0.00 13 Y 8.97 4.51 0.00 3.12 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.06 3.99 0.00 1.98 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 2.30 2.26 0.00 15 N 7.98 4.46 0.00 2.53 2.59 0.00 0.00 6.17 7.00 0.00 0.00 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 G 8.46 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 17 W 8.68 4.74 0.00 3.48 3.31 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 0.00 18 E 9.56 5.25 0.00 1.97 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 2.28 2.54 0.00 19 Y 8.89 5.19 0.00 1.94 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.18 5.06 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 21 I 8.50 5.30 2.27 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.61 1.15 0.00 0.00 22 Y 9.11 5.25 0.00 2.93 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 23 I 8.54 4.26 1.30 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 -0.36 0.55 0.00 0.00 24 K 8.16 2.75 0.00 1.11 1.55 0.00 1.74 0.00 0.00 1.98 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.29 7.81 25 N 7.09 4.81 0.00 2.87 2.91 0.00 0.00 6.03 8.07 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 26 D 8.59 4.73 0.00 2.85 2.85 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 27 H 8.64 5.18 0.00 3.43 3.49 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.99 5.15 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 1.13 0.00 0.00 29 I 8.57 4.90 1.81 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.69 0.75 0.00 0.00 30 D 8.63 5.59 0.00 2.78 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 31 Y 8.78 5.48 0.00 3.25 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 32 R 9.43 5.09 0.00 1.93 1.93 0.00 2.81 0.00 0.00 2.92 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.49 0.00 33 I 8.91 4.50 1.76 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 0.58 0.65 0.41 0.00 0.00 34 H 8.94 4.70 0.00 3.22 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.81 4.31 0.00 3.73 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.18 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 0.00 0.00 0.00 0.00 0.00 0.00 *38 V 7.47 3.92 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 0.69 0.00 0.00 0.94 0.00 0.00 39 A 7.39 4.14 1.15 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 0.00 0.00 40 G 8.96 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 41 R 8.09 4.55 0.00 2.04 1.98 0.00 3.36 0.00 0.00 3.42 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 42 W 8.92 5.63 0.00 3.59 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 43 V 8.72 4.62 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 0.00 0.00 0.79 0.00 0.00 0.45 0.00 0.00 44 R 8.74 5.02 0.00 1.84 1.86 0.00 3.80 0.00 0.00 3.45 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 45 D 9.36 4.29 0.00 2.73 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 46 Q 7.88 4.13 0.00 2.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.00 0.00 0.00 0.00 0.00 0.00 1.44 1.89 0.00 47 E 8.77 4.59 0.00 2.03 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 2.35 2.48 0.00 48 V 8.82 4.91 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 0.54 0.00 0.00 0.93 0.00 0.00 49 N 9.28 4.79 0.00 2.93 2.80 0.00 0.00 7.31 8.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.54 5.31 2.15 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 1.56 0.93 1.20 0.00 0.00 51 V 8.85 4.63 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 0.76 0.00 0.00 0.96 0.00 0.00 52 K 8.54 4.28 0.00 1.79 1.68 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.69 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.12 0.78 7.81 53 L 8.59 4.03 0.00 1.52 1.62 0.86 0.69 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 54 T 6.95 3.99 4.17 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 1.12 0.00 0.00 55 E 8.69 3.98 0.00 1.91 1.83 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 2.29 2.38 0.00 56 G 9.06 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 0.00 0.00 0.00 57 V 7.46 4.48 1.90 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 0.97 0.00 0.00 0.91 0.00 0.00 58 Y 8.93 4.96 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 9.11 5.08 0.00 1.77 1.64 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.45 7.81 60 V 9.37 5.26 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 1.25 0.00 0.00 1.43 0.00 0.00 61 S 9.35 5.40 0.00 3.88 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 62 W 8.55 5.05 0.00 3.50 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.87 5.06 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 1.30 0.00 0.00 64 E 8.96 5.04 0.00 2.06 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 2.74 2.56 0.00 65 P 0.00 4.32 0.00 2.12 2.17 0.00 3.94 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 66 T 8.01 4.47 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 67 G 8.37 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 0.00 0.00 0.00 68 T 7.86 4.21 4.40 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 0.91 0.00 0.00 69 D 8.76 5.29 0.00 2.60 2.46 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 70 V 8.28 4.45 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 0.33 0.00 0.00 0.28 0.00 0.00 71 S 8.82 4.83 0.00 3.88 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.18 5.04 0.00 1.77 1.10 1.41 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.91 5.42 0.00 2.35 2.60 0.00 0.00 6.76 8.01 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 74 F 8.72 4.86 0.00 3.00 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 *76 P 0.00 4.45 0.00 2.34 2.26 0.00 3.93 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 77 N 8.30 4.47 0.00 2.75 2.91 0.00 0.00 6.83 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 78 E 8.20 4.38 0.00 1.97 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 2.24 2.32 0.00 79 K 7.83 3.87 0.00 2.00 2.05 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.38 7.81 80 R 7.39 4.88 0.00 1.69 1.80 0.00 2.75 0.00 0.00 3.64 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 *82 H 8.50 4.29 0.00 2.74 2.87 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.31 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 0.00 0.00 0.00 0.00 84 I 8.31 4.73 1.58 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 1.02 0.69 0.00 0.00 85 I 7.92 4.33 1.28 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.41 -0.38 0.00 0.00 86 F 8.88 4.77 0.00 2.76 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 87 F 8.96 4.97 0.00 3.19 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 88 P 0.00 4.62 0.00 1.78 2.04 0.00 3.55 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 2.25 2.11 0.00 89 K 9.12 3.92 0.00 2.12 2.11 0.00 1.72 0.00 0.00 1.85 0.00 0.00 3.25 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.51 1.53 7.81 90 W 8.16 4.30 0.00 3.54 3.58 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 0.00 91 V 6.94 2.90 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 0.74 0.00 0.00 -0.45 0.00 0.00 92 H 7.86 3.92 0.00 2.99 3.33 0.00 5.79 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 7.90 4.06 0.00 1.87 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 2.15 2.43 0.00 94 H 8.36 4.96 0.00 3.35 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.43 0.00 2.16 2.22 0.00 3.83 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.77 0.00 96 E 8.16 4.01 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 97 I 7.60 3.84 2.35 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.78 1.14 0.00 0.00 98 T 7.84 4.19 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 99 V 7.40 4.16 2.25 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 0.89 0.00 0.00 1.03 0.00 0.00 100 C 7.87 4.77 0.00 2.94 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 8.14 3.51 0.00 2.46 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.45 3.88 0.00 2.02 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.44 6.54 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 103 N 6.83 3.99 0.00 1.44 2.38 0.00 0.00 6.84 8.06 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 0.00 104 D 7.07 4.65 0.00 2.53 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.16 4.95 0.00 3.06 3.21 0.00 5.62 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.06 3.73 1.82 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 1.43 0.66 0.90 0.00 0.00 107 D 8.10 4.47 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.59 4.31 0.00 1.74 1.86 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 *110 K 8.19 4.23 0.00 1.99 1.86 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.63 7.81 111 E 8.55 3.86 0.00 1.96 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 2.11 2.21 0.00 112 S 8.00 3.66 0.00 3.15 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 7.45 3.56 0.00 2.20 2.30 0.00 3.14 0.00 0.00 3.51 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 114 E 7.25 4.23 0.00 1.99 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 2.38 2.39 0.00 115 K 7.49 3.83 0.00 1.41 1.20 0.00 1.36 0.00 0.00 0.85 0.00 0.00 2.68 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 1.00 7.81 116 Y 6.67 4.80 0.00 2.88 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 0.00 117 E 8.66 4.34 0.00 2.17 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 2.49 2.44 0.00 118 T 8.47 4.23 3.29 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 0.53 0.00 0.00 119 Y 7.48 5.22 0.00 3.02 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 0.00 120 P 0.00 4.79 0.00 2.19 2.16 0.00 3.87 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 121 K 8.88 4.45 0.00 1.82 2.04 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.63 1.66 7.81 122 Y 9.09 4.76 0.00 2.95 2.87 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 0.00 123 V 8.20 4.48 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 0.49 0.00 0.00 1.06 0.00 0.00 124 V 8.38 4.07 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 0.76 0.00 0.00 0.30 0.00 0.00 125 P 0.00 5.06 0.00 1.97 1.82 0.00 3.68 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.80 0.00 126 E 8.44 4.64 0.00 1.88 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 2.38 2.30 0.00 127 F 8.86 4.61 0.00 3.05 2.85 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 0.00 128 A 7.95 4.64 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.77 4.59 0.00 1.94 1.90 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 2.28 2.43 0.00 130 I 8.65 4.75 1.97 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.59 1.04 0.00 0.00 131 T 8.98 4.64 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 132 F 8.00 4.89 0.00 2.96 2.98 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 0.00 133 L 7.30 4.57 0.00 1.51 1.28 0.83 0.49 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 0.00 134 K 8.65 4.42 0.00 1.51 1.56 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.33 7.81 135 N 8.73 4.99 0.00 2.73 2.68 0.00 0.00 7.00 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 0.00 136 E 9.21 4.37 0.00 1.62 1.68 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 2.24 2.14 0.00 137 G 8.66 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 0.00 138 V 8.07 4.30 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 0.88 0.00 0.00 0.91 0.00 0.00 139 D 8.61 4.30 0.00 2.85 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 0.00 140 N 8.43 4.62 0.00 2.87 2.67 0.00 0.00 7.30 7.26 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 0.00 141 E 8.65 4.37 0.00 2.02 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 2.47 2.30 0.00 142 E 8.05 4.31 0.00 2.00 1.94 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 2.27 2.36 0.00 143 V 7.27 3.35 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 -0.01 0.00 0.00 0.22 0.00 0.00 144 I 7.38 4.19 1.95 0.00 0.00 1.00 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 0.73 1.01 0.00 0.00 145 S 7.56 4.72 0.00 3.93 4.01 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 0.00 0.00 0.00 146 Y 6.01 3.70 0.00 2.68 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 0.00 147 A 7.62 2.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 P 0.00 4.29 0.00 2.08 1.77 0.00 3.60 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 149 Y 7.43 4.83 0.00 2.98 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 E 8.87 3.80 0.00 2.00 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 0.00 2.33 2.34 0.00 151 G 8.48 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *153 T 7.77 4.01 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 0.81 0.00 0.00 154 D 7.89 4.26 0.00 2.86 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 0.00 155 D 7.92 4.36 0.00 2.71 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 I 7.39 3.52 1.59 0.00 0.00 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 1.47 0.54 0.05 0.00 0.00 157 R 7.60 3.76 0.00 1.70 2.02 0.00 3.16 0.00 0.00 3.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 158 A 8.05 4.26 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 0.00 159 G 7.66 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 R 7.80 4.34 0.00 1.97 2.05 0.00 3.30 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 161 L 7.71 4.27 0.00 1.67 1.68 1.03 0.96 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 * Residues marked with a * may have inaccurate shift predictions.