NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0045 8.2133 108.0319 46.4391 0.0000 171.5631 2 I 4.4584 8.3247 122.6872 59.7379 37.9098 174.1730 3 Y 4.1548 9.3334 129.7127 59.9009 39.7980 175.0390 4 G 4.2021 7.7805 103.2259 46.2386 0.0000 172.0251 5 I 5.2565 7.8613 112.8217 59.1711 41.6826 174.3004 6 G 4.3720 9.0118 109.1907 44.9023 0.0000 171.5131 7 L 5.4061 8.3642 123.5383 53.2970 45.7785 174.9202 8 D 4.8716 9.0400 123.6376 52.9739 45.2198 173.7605 9 I 5.1085 8.4613 124.8911 59.8659 40.5226 174.8359 10 T 4.8221 9.4646 123.0594 61.6101 72.4921 172.9644 11 E 4.3683 8.8780 126.8535 55.3886 30.6005 177.0019 12 L 4.0286 8.7718 129.8900 58.6269 41.5800 180.3869 13 K 3.9112 7.8515 122.9971 59.7421 31.5508 181.2034 14 R 3.9676 7.7489 119.5218 59.4064 30.0092 178.7267 15 I 3.3179 7.5821 118.9025 64.0914 36.5580 178.1590 16 A 3.9170 7.8353 121.7380 55.0110 17.7389 179.8721 17 S 3.9737 8.0216 113.8131 62.0677 62.7419 176.8768 18 M 3.7980 8.0582 119.8697 58.4432 31.6686 177.8698 19 A 3.5623 7.7873 118.9850 54.9181 17.9460 179.1635 20 G 3.7042 6.9669 106.7840 46.5880 0.0000 173.3787 21 R 4.2932 7.4026 120.3786 55.4304 29.3153 175.3555 22 Q 4.4203 7.2505 122.3503 53.2447 36.9800 175.4053 *23 K 4.3752 9.0852 121.3583 54.7836 31.2015 179.3643 24 R 4.7530 7.9952 114.8259 57.0156 33.5515 176.2880 25 F 4.0006 8.5441 119.4217 62.1066 39.3940 176.5790 26 A 3.6594 8.0916 119.7768 55.1991 17.9815 179.2781 27 E 3.8563 7.9628 115.2257 59.0744 29.6472 179.1008 28 R 4.0867 7.3169 117.2259 58.7207 30.2939 178.4734 29 I 3.1964 6.9989 118.8234 62.1102 37.5172 176.2896 30 L 4.6978 7.0025 118.4651 53.2371 43.3959 177.0165 31 T 4.3018 8.4159 113.1286 60.5309 71.4772 175.9703 32 R 3.8754 8.3774 119.8910 59.8795 29.4948 178.3151 33 S 4.1593 8.0179 114.2314 61.7424 62.7939 176.4623 34 E 4.1900 8.0586 120.9167 59.3879 29.1065 179.3952 35 L 3.6851 8.2861 119.5397 57.5894 41.3950 178.8287 36 D 4.4400 7.9624 117.1723 57.6197 41.4721 178.2967 37 Q 4.0044 7.7048 117.1778 58.8954 28.7595 177.6636 38 Y 3.5004 7.7672 120.8109 60.9210 38.5489 177.9980 39 Y 4.3585 7.7987 115.9416 60.3712 38.0025 177.4308 40 E 4.2504 7.7179 117.2618 56.1408 30.1338 176.4533 41 L 4.3509 6.7372 119.4239 53.2724 43.2318 177.0646 42 S 4.3536 8.0781 115.8632 57.7545 65.1245 174.7957 43 E 3.8389 8.5843 122.1752 59.3089 29.1524 178.6978 44 K 3.8881 7.9132 118.8886 59.7904 32.3404 178.9031 45 R 3.9958 7.9535 118.2483 58.9784 29.8025 179.1824 46 K 3.8586 8.4614 118.8846 59.4862 31.9357 178.7939 47 N 4.4213 8.0466 116.9064 56.7799 38.8614 176.8093 48 E 4.0238 8.1232 119.7610 59.3098 29.5767 179.1083 49 F 4.1119 8.7144 121.0997 61.2695 39.4579 176.9887 50 L 3.9966 8.7494 120.1869 58.0715 41.8751 178.7081 51 A 4.1902 8.5448 121.2629 55.1574 18.3556 179.8661 52 G 3.5290 8.3431 104.2789 48.0185 0.0000 176.2338 53 R 3.7909 7.8414 120.6212 58.6879 29.9467 178.8437 54 F 3.9273 8.5817 120.6571 61.2596 39.3321 177.0371 55 A 4.5490 8.6808 121.5506 54.6771 18.1147 179.4777 56 A 3.9388 8.0597 119.2576 55.3491 18.4132 180.1063 57 K 3.9727 8.2719 117.1653 59.4408 32.1863 179.5752 58 E 3.8026 8.3709 119.0259 59.2775 29.3704 179.2005 59 A 3.9990 8.2750 121.1144 55.0977 18.3555 179.4241 60 F 3.9722 8.5434 119.6587 61.4483 39.2078 177.5567 61 S 4.1185 8.4554 113.9209 61.2027 62.6563 176.6889 62 K 3.9759 7.9242 121.9461 59.1806 31.6618 179.1493 63 A 4.3523 8.0122 122.4719 54.5381 18.0486 179.4010 64 F 4.1032 8.0243 118.5449 59.5554 39.4878 176.3598 65 G 3.9418 8.1244 106.1443 45.3673 0.0000 173.6924 66 T 4.2965 7.7593 107.8808 60.2060 70.8210 175.2019 67 G 3.9068 8.2567 109.8961 45.2742 0.0000 172.5233 68 I 4.0358 7.9079 119.4413 60.0237 38.4770 177.0268 69 G 4.0762 8.3610 116.0344 46.8091 0.0000 175.9157 70 R 3.9356 8.8477 119.1428 59.1602 29.5500 175.0589 71 Q 4.3811 7.9351 114.5760 56.9599 29.5518 175.7170 72 L 4.3614 7.6587 119.8740 53.9745 45.5430 173.8514 73 S 4.8793 9.0605 120.9327 56.0569 64.8261 174.7128 74 F 4.0698 8.4102 123.2118 60.7669 38.7885 177.7253 75 Q 4.1406 8.0582 118.1940 58.1221 28.5137 176.7634 76 D 4.5114 8.1985 117.4898 55.0391 41.3146 175.5576 77 I 4.5066 7.3680 120.1865 59.1294 40.0033 174.6900 78 E 4.6932 8.7001 126.8176 54.4317 32.8646 174.0840 79 I 4.6732 8.7497 127.6652 59.9186 39.1470 175.0808 80 R 4.6027 8.1549 123.7836 54.4148 35.0811 173.8276 81 K 5.1447 8.3227 118.8136 54.8423 35.0855 176.8640 82 D 4.9423 9.1108 124.2314 52.5148 41.2752 176.8388 83 Q 4.0459 8.6436 116.9129 58.6118 28.6301 176.9948 84 N 4.6170 8.8296 114.3820 52.9349 38.9420 175.9613 85 G 3.9214 8.4525 107.2673 44.9158 0.0000 173.2475 86 K 4.4111 8.0487 122.3102 54.9579 33.2644 174.3780 87 P 5.1320 0.0000 0.0000 63.1650 32.3952 175.0065 88 Y 5.0075 8.6991 119.3232 55.8371 41.9452 173.5031 89 I 4.8628 8.4989 120.4943 59.6714 39.9997 175.0896 90 I 4.5514 8.4037 126.2742 59.6325 40.2991 174.1745 91 C 5.1387 8.6271 126.5156 56.2965 34.2017 174.5896 92 T 3.9808 8.8922 116.4027 63.5111 68.2826 174.5038 93 K 4.4027 7.6307 120.4285 56.4426 32.9007 175.2285 94 L 4.4065 7.5520 117.8960 54.5938 43.5954 174.3515 95 S 4.3259 8.3592 114.0643 57.1575 63.0426 173.1438 96 P 4.3257 0.0000 0.0000 65.4104 31.3354 178.3180 97 A 3.9267 7.6372 121.5996 54.6549 18.4963 177.9351 98 A 4.3661 8.0776 117.2898 52.6247 19.2237 176.4794 99 V 4.9744 7.4009 116.1942 61.2569 33.9080 174.7312 100 H 5.2295 9.2031 123.5068 54.1473 32.7635 172.8068 101 V 5.1145 8.4039 120.1931 60.5536 34.8598 174.1344 102 S 4.7768 8.9110 115.4600 56.9831 66.1364 172.6961 103 I 5.1407 8.3495 125.4707 59.9624 40.6523 174.3885 104 T 4.8276 8.9305 119.2059 61.1407 71.3811 171.9265 105 H 5.6082 8.7079 120.5901 54.5975 33.2415 172.3686 106 T 4.7582 8.9070 112.2431 60.2823 72.1154 174.6971 107 K 4.0536 8.9109 122.1974 57.3936 31.5776 174.9668 108 E 4.4157 8.1333 116.3601 56.1085 30.7947 174.6528 109 Y 5.4218 8.0546 115.9399 56.0425 42.8391 174.0859 110 A 5.2182 9.2565 121.9808 50.4163 22.5757 175.1372 111 A 5.2309 8.9653 121.2796 50.8871 23.4326 174.9466 112 A 5.1819 8.8323 119.9205 51.0178 23.3712 175.4430 113 Q 5.1003 8.9493 116.6260 54.6675 32.6509 174.2166 114 V 5.0160 9.0420 119.9249 61.3428 35.8372 174.1235 115 V 4.8220 8.9883 125.8498 61.2027 34.7661 173.9801 116 I 5.0868 8.8300 128.4667 59.7237 39.5823 174.6443 117 E 5.1279 9.2685 126.3420 54.7887 32.0363 175.6098 118 R 4.4089 8.9071 121.7400 55.2693 31.3576 176.9624 119 L 4.2883 8.4309 122.5460 54.8834 41.9664 176.3031 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 G 8.21 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.32 4.46 1.87 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 1.25 0.76 0.97 0.00 0.00 3 Y 9.33 4.15 0.00 2.91 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 4 G 7.78 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 5 I 7.86 5.26 1.87 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 1.25 0.99 0.90 0.00 0.00 6 G 9.01 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 0.00 0.00 0.00 0.00 7 L 8.36 5.41 0.00 1.58 1.48 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 8 D 9.04 4.87 0.00 2.75 2.59 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 9 I 8.46 5.11 1.88 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 1.33 0.79 0.86 0.00 0.00 10 T 9.46 4.82 4.43 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 1.25 0.00 0.00 11 E 8.88 4.37 0.00 2.12 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 1.96 0.00 12 L 8.77 4.03 0.00 1.62 1.87 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.85 3.91 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.07 7.81 14 R 7.75 3.97 0.00 1.92 1.84 0.00 3.13 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 15 I 7.58 3.32 1.96 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.73 0.90 0.00 0.00 16 A 7.84 3.92 1.31 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 0.00 0.00 17 S 8.02 3.97 0.00 3.92 3.82 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 18 M 8.06 3.80 0.00 1.20 1.21 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.37 0.00 19 A 7.79 3.56 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 20 G 6.97 3.70 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 0.00 0.00 0.00 21 R 7.40 4.29 0.00 1.76 1.94 0.00 3.33 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 22 Q 7.25 4.42 0.00 2.34 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.17 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 *23 K 9.09 4.38 0.00 1.83 2.06 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.69 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.18 0.86 7.81 24 R 8.00 4.75 0.00 1.83 1.90 0.00 3.17 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 25 F 8.54 4.00 0.00 3.21 3.02 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 26 A 8.09 3.66 1.03 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 0.00 0.00 27 E 7.96 3.86 0.00 1.93 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 2.41 2.55 0.00 28 R 7.32 4.09 0.00 1.86 1.87 0.00 3.19 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 29 I 7.00 3.20 1.33 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 0.55 -0.36 0.49 0.00 0.00 30 L 7.00 4.70 0.00 1.40 1.47 0.48 0.73 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 31 T 8.42 4.30 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 1.18 0.00 0.00 32 R 8.38 3.88 0.00 1.90 1.98 0.00 3.20 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 33 S 8.02 4.16 0.00 4.11 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 34 E 8.06 4.19 0.00 2.22 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 0.00 2.39 2.35 0.00 35 L 8.29 3.69 0.00 1.82 1.56 0.94 0.38 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 36 D 7.96 4.44 0.00 2.80 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 37 Q 7.70 4.00 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 38 Y 7.77 3.50 0.00 2.63 2.67 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 0.00 0.00 0.00 0.00 39 Y 7.80 4.36 0.00 2.99 2.88 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 40 E 7.72 4.25 0.00 2.02 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 2.50 2.46 0.00 41 L 6.74 4.35 0.00 1.44 1.44 0.56 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.08 4.35 0.00 4.01 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 43 E 8.58 3.84 0.00 2.02 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 2.37 2.36 0.00 44 K 7.91 3.89 0.00 1.85 1.77 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.53 7.81 45 R 7.95 4.00 0.00 1.91 1.95 0.00 3.55 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 46 K 8.46 3.86 0.00 1.86 1.68 0.00 1.42 0.00 0.00 0.90 0.00 0.00 2.56 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.66 1.46 7.81 47 N 8.05 4.42 0.00 2.77 3.01 0.00 0.00 7.28 8.97 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 48 E 8.12 4.02 0.00 2.21 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 2.35 2.51 0.00 49 F 8.71 4.11 0.00 3.26 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 50 L 8.75 4.00 0.00 2.12 2.04 0.72 1.48 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 51 A 8.54 4.19 1.47 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 0.00 0.00 0.00 52 G 8.34 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 53 R 7.84 3.79 0.00 1.81 1.82 0.00 2.85 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.53 0.00 54 F 8.58 3.93 0.00 3.12 3.28 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 55 A 8.68 4.55 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 3.94 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 57 K 8.27 3.97 0.00 1.96 1.99 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.60 7.81 58 E 8.37 3.80 0.00 2.04 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 1.60 2.00 0.00 59 A 8.27 4.00 1.44 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 0.00 0.00 60 F 8.54 3.97 0.00 3.24 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 61 S 8.46 4.12 0.00 4.11 4.12 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 62 K 7.92 3.98 0.00 2.00 1.87 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.63 7.81 63 A 8.01 4.35 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 64 F 8.02 4.10 0.00 2.57 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 65 G 8.12 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 0.00 0.00 0.00 66 T 7.76 4.30 4.33 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 1.30 0.00 0.00 67 G 8.26 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 68 I 7.91 4.04 1.53 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 0.92 -0.36 0.33 0.00 0.00 69 G 8.36 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 70 R 8.85 3.94 0.00 1.84 1.87 0.00 3.26 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 71 Q 7.94 4.38 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 72 L 7.66 4.36 0.00 1.50 1.53 0.56 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 73 S 9.06 4.88 0.00 3.78 3.75 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 74 F 8.41 4.07 0.00 3.19 3.11 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 0.00 0.00 0.00 0.00 75 Q 8.06 4.14 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 76 D 8.20 4.51 0.00 2.68 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 77 I 7.37 4.51 1.69 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.34 0.43 0.00 0.00 78 E 8.70 4.69 0.00 1.92 1.63 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 2.07 2.17 0.00 79 I 8.75 4.67 1.69 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 1.11 0.47 0.74 0.00 0.00 80 R 8.15 4.60 0.00 0.67 1.46 0.00 3.00 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.32 0.00 81 K 8.32 5.14 0.00 1.61 1.72 0.00 1.78 0.00 0.00 1.90 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.37 7.81 82 D 9.11 4.94 0.00 2.93 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 83 Q 8.64 4.05 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 84 N 8.83 4.62 0.00 2.86 2.87 0.00 0.00 7.12 7.22 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 85 G 8.45 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 86 K 8.05 4.41 0.00 1.95 2.16 0.00 1.66 0.00 0.00 1.92 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.60 7.81 87 P 0.00 5.13 0.00 2.09 2.00 0.00 3.83 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 2.01 1.98 0.00 88 Y 8.70 5.01 0.00 3.01 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 89 I 8.50 4.86 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.60 0.50 0.00 0.00 90 I 8.40 4.55 1.83 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.08 0.90 0.00 0.00 91 C 8.63 5.14 0.00 2.33 2.55 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 92 T 8.89 3.98 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 1.17 0.00 0.00 93 K 7.63 4.40 0.00 1.70 2.01 0.00 1.57 0.00 0.00 1.83 0.00 0.00 3.33 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.34 7.81 94 L 7.55 4.41 0.00 1.75 1.68 1.07 0.89 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 95 S 8.36 4.33 0.00 3.88 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 96 P 0.00 4.33 0.00 2.25 2.33 0.00 3.75 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 2.05 1.96 0.00 97 A 7.64 3.93 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 98 A 8.08 4.37 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 99 V 7.40 4.97 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 1.04 0.00 0.00 1.18 0.00 0.00 100 H 9.20 5.23 0.00 3.14 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.40 5.11 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 0.76 0.00 0.00 0.98 0.00 0.00 102 S 8.91 4.78 0.00 3.92 3.69 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 0.00 103 I 8.35 5.14 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.78 0.84 0.00 0.00 104 T 8.93 4.83 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 1.22 0.00 0.00 105 H 8.71 5.61 0.00 3.04 3.16 0.00 5.70 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.91 4.76 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 1.30 0.00 0.00 107 K 8.91 4.05 0.00 1.79 1.79 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.05 7.81 108 E 8.13 4.42 0.00 1.69 1.44 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 2.18 2.23 0.00 109 Y 8.05 5.42 0.00 2.91 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 0.00 110 A 9.26 5.22 1.25 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 0.00 0.00 0.00 111 A 8.97 5.23 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 0.00 112 A 8.83 5.18 1.27 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 0.00 113 Q 8.95 5.10 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 114 V 9.04 5.02 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 1.16 0.00 0.00 1.10 0.00 0.00 115 V 8.99 4.82 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 0.97 0.00 0.00 0.96 0.00 0.00 116 I 8.83 5.09 2.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.59 0.91 0.00 0.00 117 E 9.27 5.13 0.00 1.84 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 2.31 2.37 0.00 118 R 8.91 4.41 0.00 1.75 1.90 0.00 3.18 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 119 L 8.43 4.29 0.00 1.62 1.56 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.