NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 P 4.4313 0.0000 0.0000 62.4183 32.6768 178.5624 10 M 4.5959 8.5453 114.8034 51.1108 34.6771 173.0177 11 R 3.2391 8.3091 116.4596 58.2776 31.5727 177.6149 12 R 3.9640 8.3192 118.8583 58.7893 30.4325 178.7387 13 R 3.9863 8.0424 118.0996 59.1934 30.2026 178.3887 14 R 4.1238 7.8817 114.5216 57.9902 29.8818 177.5258 15 E 3.7931 8.3602 119.7454 57.0832 29.5783 177.3460 16 A 3.9954 7.1096 122.1502 51.9107 23.0448 178.0467 17 R 3.8563 9.0054 117.2352 58.7586 29.9854 177.6968 18 T 4.1477 7.5907 108.6106 62.8262 68.0960 172.7372 19 D 4.3069 8.6818 118.4614 54.9449 43.3238 178.2265 20 Y 4.4506 8.3872 122.2060 60.5090 38.3960 178.5408 21 H 4.1485 7.1027 117.9347 58.6985 28.6127 177.3133 22 Q 4.0701 8.1490 118.4879 59.5242 28.2522 178.3166 23 R 3.9037 9.6884 120.8813 59.3640 29.9106 178.0679 24 L 3.8983 8.4336 118.1667 58.4041 41.2672 179.9945 25 R 3.7448 8.2124 118.6676 59.4625 30.2294 178.1783 26 L 4.2109 8.7722 119.2190 58.0753 41.4880 179.9654 27 L 3.6895 8.2515 120.2194 58.3208 42.1875 178.2962 28 K 4.0249 6.2657 117.5553 56.9954 32.8851 176.8998 29 S 4.4908 8.1852 112.4718 58.1388 67.0647 176.3945 30 G 3.7159 9.8011 108.5465 45.1983 0.0000 174.0685 31 K 4.3457 8.8647 125.4468 53.8060 29.4489 173.8591 32 P 5.3736 0.0000 0.0000 60.1588 35.9608 175.3008 33 R 4.6356 9.0755 122.2127 56.2125 29.7424 174.8189 34 L 4.5899 9.1229 125.2657 54.8304 41.5218 175.6020 35 V 4.6770 8.7897 125.9122 61.2986 33.4778 174.2430 36 A 4.8219 8.7733 130.4132 51.0312 20.4993 175.8907 37 R 4.9916 8.8796 121.9553 54.0729 32.9962 175.1864 38 K 4.8456 8.6372 122.3218 55.4790 35.8210 177.2487 39 S 4.3482 9.3228 117.7618 59.5742 64.1874 178.0979 40 N 3.3937 8.2618 117.1795 53.9166 42.5950 176.6785 41 K 4.7325 6.7324 124.0055 58.8100 34.3794 174.9818 42 H 4.7107 7.9715 112.2919 55.2700 31.2584 171.9314 43 V 4.9706 8.0307 116.8682 62.4772 35.4722 174.5716 44 R 4.9467 8.9907 122.0855 54.9623 34.8611 174.0705 45 A 5.1537 8.6389 124.5676 50.4993 22.4742 175.0935 46 Q 4.6700 8.7929 118.0274 54.3043 33.5609 173.9934 47 L 5.5918 8.2947 118.1330 52.6693 45.3494 176.4620 48 V 5.0473 8.3223 125.4183 61.2784 33.0081 174.5269 49 T 5.0515 8.0782 125.1408 59.7487 70.3380 171.7666 *52 P 4.3282 0.0000 0.0000 63.3832 32.6871 180.7774 53 N 3.8359 8.9361 118.7549 57.5723 34.7924 174.2275 54 G 4.0995 8.0140 102.0580 46.5928 0.0000 172.1010 55 D 5.0924 7.8538 116.8581 52.6259 39.9760 173.6464 56 D 4.5124 7.7991 124.3519 54.0709 47.3800 179.2203 57 T 4.3701 7.6391 107.3282 64.3032 73.1587 172.5843 58 L 5.0944 8.7046 120.9784 61.5730 41.2502 173.9739 59 A 4.2014 7.6424 118.0192 54.3733 17.5666 179.5557 60 S 4.0001 8.4774 120.2325 61.9685 63.6628 174.7979 61 A 4.9547 8.0957 122.6751 51.3161 22.4984 174.7232 62 H 4.9283 8.3925 117.7443 55.0382 32.8071 174.5822 63 S 4.6621 8.9128 118.0893 58.6875 61.6280 175.2534 64 S 4.5869 8.3656 111.6997 57.4097 64.3260 175.0519 65 D 4.3556 8.2192 118.1762 56.5966 41.1109 176.3746 66 L 4.5045 7.3195 119.3172 54.2716 42.8121 174.8647 67 A 3.3084 8.1191 120.7080 52.3787 18.4237 178.5142 68 E 4.5390 8.9228 123.6125 62.0313 29.1017 177.2388 69 Y 3.6101 5.3700 115.9836 55.5522 41.1402 176.5906 70 G 4.3046 7.9076 114.2771 46.5061 0.0000 173.4974 71 W 4.8996 8.8071 119.8817 56.0031 29.7652 176.0245 72 E 3.6554 8.1675 119.4766 55.7960 30.0855 174.2406 *74 P 4.5822 0.0000 0.0000 63.0133 33.8215 181.3895 75 T 3.1901 9.0379 112.1210 61.5209 72.3548 175.3902 76 G 3.7379 9.4576 109.4890 48.6377 0.0000 175.5586 *80 S 4.3336 7.9521 113.6157 57.6609 65.1914 175.9252 81 A 4.0044 8.6125 123.8871 55.2818 18.0990 178.6237 82 Y 3.9227 8.2437 113.9309 62.2590 37.8425 179.2019 83 L 4.0249 8.7335 119.2155 58.2596 42.0003 179.6023 84 T 3.9835 8.1588 115.5814 67.6476 68.3833 175.8880 85 G 3.6803 8.7939 107.6995 46.7404 0.0000 175.8865 86 L 4.6580 8.1280 124.3808 58.0556 42.1862 179.1834 87 L 3.8459 8.5487 118.3495 57.7637 41.3982 179.2867 88 A 4.7776 8.2688 121.8447 55.1547 18.5205 179.6167 89 G 3.8035 8.3067 104.2038 48.2545 0.0000 175.7569 90 L 4.3339 8.0335 123.3108 56.8719 41.6601 179.3255 91 R 3.8665 8.1682 117.9314 60.1370 29.7299 177.3491 92 A 3.9978 8.4314 120.5982 54.9258 17.7755 179.1040 93 Q 3.8975 8.7834 115.2885 59.5536 28.2587 179.0490 94 E 3.9147 8.4535 118.4194 59.4949 29.4272 178.7936 95 A 4.1138 7.9258 122.5975 54.7242 19.9505 177.3481 96 G 4.1266 7.4750 104.5965 45.2984 0.0000 173.1667 97 V 3.8946 9.0228 120.4024 62.1836 30.7247 176.1945 98 E 5.7387 7.7737 124.0155 55.4972 27.6034 176.2780 99 E 4.9465 7.6294 119.6454 53.4302 33.0224 175.0158 100 A 5.0221 8.6157 124.3085 49.9083 22.7632 175.3097 101 V 4.4373 8.3097 117.3607 59.6049 34.4247 175.3763 102 L 4.1892 8.7595 124.6554 55.2984 42.4372 176.2325 103 D 4.6420 8.9754 125.2823 52.2217 42.4197 175.0660 104 I 4.0931 8.5642 127.6505 61.3333 33.8289 176.5325 105 G 4.6805 7.6318 112.6401 48.2522 0.0000 170.9141 106 L 4.5285 8.0620 121.4930 54.2103 46.3535 177.7674 107 N 3.7454 8.0551 124.8934 50.8473 40.8403 172.6899 108 S 3.9996 9.0010 120.1129 58.9141 62.2528 174.2431 109 P 3.6113 0.0000 0.0000 64.0110 27.5548 175.4824 110 T 3.5956 7.1433 114.2649 61.6220 68.5227 172.9291 111 P 4.6708 0.0000 0.0000 65.9498 31.8733 178.0838 *114 K 4.2201 7.8892 116.4806 56.4030 34.1130 177.6460 115 V 3.5205 7.8858 116.9497 67.3516 31.2331 178.6086 116 F 4.9981 8.5042 117.5273 62.0674 38.6413 177.4908 117 A 4.1382 8.8016 120.7009 55.0106 18.0780 179.0228 118 I 3.5471 8.2151 114.5047 64.6172 38.2031 177.8092 119 Q 3.9656 8.5321 118.5510 59.4569 28.5795 178.7643 120 E 4.0131 8.7734 119.5203 59.8312 29.5460 179.3259 121 G 4.3984 8.5547 106.1486 48.0179 0.0000 175.3106 122 A 4.0132 7.9928 122.1656 55.2719 18.4314 178.7592 123 I 3.3043 7.9771 114.0551 65.9382 36.8661 177.4531 124 D 4.5045 9.0814 119.2388 58.3928 41.0270 179.5565 125 A 3.9633 7.4814 119.4677 56.2386 18.9688 177.4059 126 G 3.7973 8.3798 106.2294 45.5053 0.0000 172.4909 127 L 3.8422 7.7566 121.9056 53.9540 42.3588 176.7362 128 D 4.4991 8.7889 127.4886 55.0237 41.8997 177.1963 129 I 4.0914 8.1265 123.2431 61.8605 37.7872 174.5762 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 9 P 0.00 4.43 0.00 2.20 1.36 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 10 M 8.55 4.60 0.00 2.16 1.89 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.67 0.00 11 R 8.31 3.24 0.00 2.06 1.93 0.00 2.99 0.00 0.00 3.30 8.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 12 R 8.32 3.96 0.00 2.18 2.09 0.00 2.21 0.00 0.00 2.73 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 13 R 8.04 3.99 0.00 1.83 2.27 0.00 3.27 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 14 R 7.88 4.12 0.00 2.01 2.05 0.00 3.52 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 15 E 8.36 3.79 0.00 2.01 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 2.34 2.33 0.00 16 A 7.11 4.00 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 17 R 9.01 3.86 0.00 1.93 2.03 0.00 3.44 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 18 T 7.59 4.15 4.37 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 1.48 0.00 0.00 19 D 8.68 4.31 0.00 2.68 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 20 Y 8.39 4.45 0.00 3.03 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 21 H 7.10 4.15 0.00 2.50 3.14 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.15 4.07 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 23 R 9.69 3.90 0.00 1.86 2.79 0.00 3.21 0.00 0.00 3.23 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 24 L 8.43 3.90 0.00 1.76 1.69 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.21 3.74 0.00 1.70 2.36 0.00 3.07 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 26 L 8.77 4.21 0.00 1.70 1.70 0.95 0.40 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 27 L 8.25 3.69 0.00 1.57 1.82 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 28 K 6.27 4.02 0.00 2.08 1.73 0.00 1.95 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.43 7.81 29 S 8.19 4.49 0.00 3.90 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 30 G 9.80 3.72 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 0.00 0.00 0.00 31 K 8.86 4.35 0.00 1.88 2.11 0.00 1.83 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.35 7.81 32 P 0.00 5.37 0.00 2.05 2.09 0.00 3.91 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 1.81 0.00 33 R 9.08 4.64 0.00 1.81 1.95 0.00 3.29 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 34 L 9.12 4.59 0.00 1.75 1.85 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.79 4.68 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 1.10 0.00 0.00 1.11 0.00 0.00 36 A 8.77 4.82 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.88 4.99 0.00 1.92 1.82 0.00 3.24 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 38 K 8.64 4.85 0.00 1.70 1.73 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.43 7.81 39 S 9.32 4.35 0.00 3.97 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 40 N 8.26 3.39 0.00 2.72 3.04 0.00 0.00 7.27 6.68 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 41 K 6.73 4.73 0.00 1.60 1.00 0.00 1.98 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.36 7.81 42 H 7.97 4.71 0.00 3.39 3.43 0.00 5.48 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.03 4.97 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 1.01 0.00 0.00 0.95 0.00 0.00 44 R 8.99 4.95 0.00 1.75 1.82 0.00 3.09 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 45 A 8.64 5.15 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 46 Q 8.79 4.67 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 47 L 8.29 5.59 0.00 1.55 1.55 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.32 5.05 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 1.33 0.00 0.00 0.94 0.00 0.00 49 T 8.08 5.05 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 1.26 0.00 0.00 *52 P 0.00 4.33 0.00 2.20 1.57 0.00 3.88 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 53 N 8.94 3.84 0.00 2.88 3.03 0.00 0.00 6.07 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 54 G 8.01 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 7.85 5.09 0.00 2.85 3.18 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 56 D 7.80 4.51 0.00 2.60 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.64 4.37 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 1.28 0.00 0.00 58 L 8.70 5.09 0.00 1.89 1.88 0.93 0.55 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 59 A 7.64 4.20 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.48 4.00 0.00 4.04 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 61 A 8.10 4.95 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 62 H 8.39 4.93 0.00 3.35 3.18 0.00 5.82 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.91 4.66 0.00 3.95 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 64 S 8.37 4.59 0.00 3.85 3.74 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 65 D 8.22 4.36 0.00 2.74 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 66 L 7.32 4.50 0.00 1.79 1.70 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.12 3.31 0.97 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 0.00 0.00 68 E 8.92 4.54 0.00 1.93 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 0.00 2.58 2.25 0.00 69 Y 5.37 3.61 0.00 2.69 1.43 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 70 G 7.91 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 0.00 0.00 0.00 0.00 71 W 8.81 4.90 0.00 3.24 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 72 E 8.17 3.66 0.00 2.18 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 2.29 2.44 0.00 *74 P 0.00 4.58 0.00 2.26 1.72 0.00 3.99 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 75 T 9.04 3.19 4.37 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 1.30 0.00 0.00 76 G 9.46 3.74 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 0.00 0.00 0.00 *80 S 7.95 4.33 0.00 4.09 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 0.00 81 A 8.61 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 82 Y 8.24 3.92 0.00 3.26 2.97 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 83 L 8.73 4.02 0.00 1.68 1.68 1.02 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.16 3.98 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 1.24 0.00 0.00 85 G 8.79 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.13 4.66 0.00 1.66 1.78 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.55 3.85 0.00 1.89 1.68 0.95 0.72 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 88 A 8.27 4.78 1.43 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 0.00 0.00 89 G 8.31 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 0.00 0.00 0.00 90 L 8.03 4.33 0.00 1.77 1.74 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.17 3.87 0.00 1.89 1.97 0.00 3.21 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 92 A 8.43 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 93 Q 8.78 3.90 0.00 2.32 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.68 0.00 94 E 8.45 3.91 0.00 2.11 2.32 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 2.27 2.61 0.00 95 A 7.93 4.11 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.48 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 0.00 0.00 0.00 97 V 9.02 3.89 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 0.88 0.00 0.00 0.94 0.00 0.00 98 E 7.77 5.74 0.00 2.30 2.13 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 2.14 2.05 0.00 99 E 7.63 4.95 0.00 1.93 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 2.19 2.20 0.00 100 A 8.62 5.02 1.20 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 0.00 101 V 8.31 4.44 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 0.95 0.00 0.00 0.93 0.00 0.00 102 L 8.76 4.19 0.00 1.54 1.69 0.93 1.01 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 0.00 103 D 8.98 4.64 0.00 2.73 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 0.00 104 I 8.56 4.09 1.87 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 1.26 0.64 0.91 0.00 0.00 105 G 7.63 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.06 4.53 0.00 1.57 0.72 0.92 1.01 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 0.00 107 N 8.06 3.75 0.00 2.66 2.63 0.00 0.00 6.82 7.63 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 0.00 108 S 9.00 4.00 0.00 3.94 3.88 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 0.00 0.00 0.00 109 P 0.00 3.61 0.00 1.99 2.34 0.00 3.62 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 1.97 2.04 0.00 110 T 7.14 3.60 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 1.15 0.00 0.00 111 P 0.00 4.67 0.00 2.29 2.28 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.45 0.00 *114 K 7.89 4.22 0.00 1.79 1.85 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.44 7.81 115 V 7.89 3.52 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 1.07 0.00 0.00 0.83 0.00 0.00 116 F 8.50 5.00 0.00 3.42 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 0.00 117 A 8.80 4.14 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.22 3.55 1.86 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 1.51 1.49 1.00 0.00 0.00 119 Q 8.53 3.97 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.49 0.00 0.00 0.00 0.00 0.00 2.41 2.72 0.00 120 E 8.77 4.01 0.00 1.82 2.12 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 2.16 2.29 0.00 121 G 8.55 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 0.00 0.00 0.00 0.00 122 A 7.99 4.01 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 0.00 123 I 7.98 3.30 2.00 0.00 0.00 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 1.51 0.65 0.90 0.00 0.00 124 D 9.08 4.50 0.00 2.79 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 0.00 125 A 7.48 3.96 1.48 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 0.00 0.00 126 G 8.38 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 0.00 0.00 0.00 127 L 7.76 3.84 0.00 1.68 1.77 0.93 1.19 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 0.00 128 D 8.79 4.50 0.00 2.89 2.62 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 0.00 129 I 8.13 4.09 1.99 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 1.21 0.50 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.