NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3507 0.0000 0.0000 62.5192 32.6512 175.5098 3 R 4.1478 8.2746 120.4204 55.1264 31.0796 174.9403 4 A 4.5831 7.8962 125.9931 49.5000 20.1766 175.4281 5 K 4.1441 8.1503 119.6375 56.7473 33.2077 177.6670 6 T 3.7871 8.1781 116.3045 65.7146 69.6339 177.1753 7 G 3.9237 7.6879 110.6096 46.0285 0.0000 174.8713 8 V 3.6170 8.9798 120.7592 67.0934 31.2363 178.9633 9 V 3.0452 6.5957 116.2022 64.7739 33.6895 177.2401 10 R 3.7975 8.1726 118.7437 59.6869 30.0526 178.6404 11 R 3.9404 8.0604 117.7090 59.5783 29.9764 178.3866 12 R 3.8994 7.8076 117.2313 59.4035 30.1005 179.2259 13 K 3.9862 7.9637 118.0040 59.6243 31.9224 179.2009 14 H 4.4035 8.0646 116.7547 58.7585 28.7663 177.8844 15 K 3.9531 8.4015 120.8152 59.7029 31.9173 178.8027 16 K 3.8416 7.6066 119.8336 59.6879 32.4154 178.4829 17 I 3.8973 7.3884 118.4297 64.2536 37.0678 178.2202 18 L 3.9700 8.0033 119.8801 57.8158 41.2971 179.4912 19 K 3.8646 8.4323 119.8172 59.5409 31.8716 178.8473 20 L 3.9424 7.7561 117.9969 57.0427 41.7212 178.4526 21 A 3.5044 7.9181 119.6393 51.0901 18.7631 176.8952 22 K 3.7116 6.7521 116.8124 58.0679 32.3646 175.8688 23 G 4.0347 8.9325 113.0406 46.3154 0.0000 173.8531 24 Y 4.6888 7.5933 116.8510 57.2662 38.7151 175.5541 25 W 4.2588 9.0598 131.7794 58.8700 32.8313 176.8584 26 G 3.6038 7.4418 112.5641 46.0500 0.0000 176.7843 27 L 4.0167 8.7834 127.5656 57.3498 41.7387 178.7517 28 R 4.1764 8.2810 117.7155 58.1971 30.0925 177.5674 29 S 4.8571 7.9069 110.2084 57.6252 64.1304 174.4369 30 K 4.2418 8.4307 120.7163 57.9507 33.5396 176.7016 31 S 4.2422 7.9765 117.1768 58.1388 62.3344 175.3152 *32 F 4.3049 8.6288 123.4498 57.2717 37.2266 172.3792 33 R 4.6441 8.4119 116.7149 56.0569 30.0116 176.0629 34 K 4.4488 7.9927 117.2132 57.4737 35.5874 178.8139 35 A 4.6782 7.9659 121.6939 54.4622 18.2177 179.2267 36 R 3.6626 7.8874 116.9402 59.2954 30.3087 178.0122 37 E 4.0798 8.0540 117.6342 60.0957 29.5402 179.8126 38 T 3.8291 8.2219 115.4743 66.6717 68.3315 176.8830 39 L 4.0658 8.3167 120.3420 58.3914 41.8186 178.7039 40 F 4.5019 8.3313 118.0090 60.3297 38.7500 176.9720 41 A 3.7840 8.1978 119.2072 55.4501 18.3583 179.7039 42 A 3.8275 7.8900 119.4205 55.0939 18.5291 180.1362 43 G 3.6139 8.1899 104.4199 48.0300 0.0000 175.8212 44 N 4.6128 8.1175 118.2259 55.9738 38.5256 177.0376 45 Y 4.1391 8.1032 118.2321 60.9507 38.0018 177.8120 46 A 4.1373 8.0534 121.6555 55.6767 18.0165 178.9487 47 Y 4.1965 8.0493 116.7386 61.0968 38.8570 178.2160 48 A 3.6586 8.2234 121.5369 55.1930 18.3683 179.4161 49 H 4.2603 8.8732 115.3665 59.0787 28.7210 177.8438 50 R 4.0366 8.1683 119.0219 59.3754 30.2791 178.8858 51 K 4.0426 7.6042 117.3285 59.5615 32.0184 179.4138 52 R 3.9210 7.4791 118.3292 59.2095 30.0653 178.7831 53 R 3.6516 8.3355 118.7262 59.6757 29.6484 178.4298 54 K 4.0258 7.6755 116.7935 58.7357 31.6891 178.2648 55 R 4.3454 7.5626 113.0234 56.2624 30.4059 177.1597 56 D 3.9846 8.1921 120.6810 56.4704 40.9041 177.9808 57 F 4.1972 7.5215 117.5328 59.1520 39.1509 177.9207 58 R 3.7235 6.8623 117.5987 59.5507 29.8409 179.1710 59 R 3.7805 7.2762 116.9954 59.0993 30.0961 178.5114 60 L 3.8800 7.0177 119.2331 58.1710 41.8453 179.0792 61 W 4.3759 7.7327 118.5086 59.8474 29.0494 178.1758 62 I 3.6615 7.6092 119.6766 64.6882 36.5926 178.3659 63 V 3.4877 7.8333 118.4947 66.0120 31.3057 177.9142 64 R 3.9172 8.1558 118.4691 59.9388 29.8255 178.0950 65 I 3.8770 8.7849 120.8077 64.1456 36.9631 177.6235 66 N 4.3231 9.0884 119.3784 57.0859 39.1180 176.3005 67 A 4.2133 8.2129 122.3263 54.4400 18.8727 178.9786 68 A 3.8795 8.5899 118.4616 55.3551 18.6316 179.5062 69 C 4.4289 9.1459 112.4857 60.5059 29.8476 175.1796 70 R 5.1427 7.7003 120.7207 57.2727 29.8964 176.9561 71 Q 4.2813 7.7748 117.2965 58.1970 29.2510 175.3569 72 H 4.9059 8.0175 116.6475 55.9088 29.5718 174.5655 73 G 4.3642 8.6748 112.4059 45.4600 0.0000 175.0766 74 L 4.3662 7.4357 119.0635 54.5574 41.9370 175.5132 75 N 5.1295 7.8804 117.4698 51.4554 39.4652 175.3401 76 Y 4.3209 9.0271 119.4221 62.4646 38.6830 178.2504 77 S 3.7794 8.4767 112.3682 62.4643 62.9767 176.5915 78 T 3.8712 9.1684 112.5296 65.4616 68.8250 175.8291 79 F 4.2178 8.3362 123.7386 61.3283 39.2013 177.0451 80 I 3.2366 7.7464 119.0118 64.6408 36.8982 177.5747 81 H 4.1417 7.8957 118.5188 59.5064 29.3559 176.9916 82 G 3.6808 8.6729 107.3956 48.1450 0.0000 175.6183 83 L 3.7452 7.9588 121.4768 56.8730 41.5236 179.4340 84 K 3.8283 8.5405 120.2815 59.3552 31.9684 178.6875 85 K 3.8250 8.4735 118.8296 59.5012 32.3393 178.3953 86 A 4.1043 8.6887 120.1855 52.9932 18.2190 178.2217 87 G 3.8401 7.6124 104.7748 46.0870 0.0000 175.2994 88 I 4.2369 7.3740 116.0565 59.2616 36.0117 176.0413 89 E 4.5712 7.8140 121.6494 57.5076 31.0606 178.4402 90 V 4.0898 7.8190 129.5322 62.5064 29.2617 178.8575 91 D 3.8430 9.7371 111.4628 53.8430 42.1568 172.3297 92 R 3.5854 8.7875 123.5501 56.8527 27.9691 178.7364 93 K 4.6520 7.3538 120.9142 58.8525 33.1630 177.6182 94 N 2.0000 7.3091 115.2218 55.7214 38.5886 175.4480 95 L 4.0347 8.4553 116.6814 55.3482 42.4335 176.8226 96 A 4.5746 7.2402 123.4917 51.6291 18.3149 177.4549 97 D 4.7035 7.5567 120.6142 53.5232 41.1024 178.5982 98 L 4.3164 7.8039 118.9002 57.3908 41.8038 179.1850 99 A 3.2355 7.9571 119.9077 54.0660 17.7190 177.2077 100 V 3.9883 7.6577 114.6125 64.0409 33.3269 175.5118 101 R 4.2043 7.5374 117.3358 56.5542 31.4596 176.6412 102 E 3.7230 8.8501 121.0057 56.9218 26.8470 174.4098 103 P 4.6609 0.0000 0.0000 64.5352 31.1058 177.0042 104 Q 3.9952 8.0321 117.6536 59.8462 29.0099 177.9472 105 V 3.6895 8.0442 118.9010 65.5313 31.2743 177.6434 106 F 3.8313 8.1639 118.9611 61.3736 39.7668 177.3455 107 A 4.1981 8.8236 120.6452 55.8706 18.2042 179.6514 108 E 3.9976 8.4537 116.3125 59.2141 29.2586 179.6190 109 L 4.1685 7.7680 118.8402 57.2833 41.7489 179.4516 110 V 3.1393 7.2347 117.9197 65.7723 31.5754 177.4247 111 E 3.8740 7.7719 117.8222 59.8574 29.1645 179.5600 112 R 3.8690 8.2281 116.2907 59.4050 30.0659 178.7637 113 A 4.1367 8.1144 120.8221 55.0244 18.3721 179.6288 114 K 4.0611 7.8218 114.3871 58.5325 33.1021 178.4791 115 A 4.1449 7.9829 123.0646 55.2287 18.0859 179.3983 116 A 4.3988 7.2874 116.5663 52.5194 17.8761 177.9044 117 Q 4.3071 7.9550 118.7584 55.5565 30.5055 175.7884 118 G 3.7379 8.5205 110.6541 45.5874 0.0000 171.7857 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 2 P 0.00 4.35 0.00 2.19 2.12 0.00 3.72 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 1.88 1.96 0.00 3 R 8.27 4.15 0.00 1.87 1.85 0.00 3.18 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 4 A 7.90 4.58 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 5 K 8.15 4.14 0.00 1.87 1.83 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 6 T 8.18 3.79 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 7 G 7.69 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 8 V 8.98 3.62 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 9 V 6.60 3.05 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 0.88 0.00 0.00 0.97 0.00 0.00 10 R 8.17 3.80 0.00 1.91 1.93 0.00 3.28 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 1.71 1.65 0.00 11 R 8.06 3.94 0.00 1.93 2.07 0.00 3.24 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 12 R 7.81 3.90 0.00 2.05 1.95 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 13 K 7.96 3.99 0.00 1.68 1.81 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.59 7.81 14 H 8.06 4.40 0.00 3.52 3.29 0.00 5.65 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 15 K 8.40 3.95 0.00 1.92 2.08 0.00 1.34 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.59 7.81 16 K 7.61 3.84 0.00 1.92 2.08 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.48 7.81 17 I 7.39 3.90 1.86 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 1.69 0.86 0.86 0.00 0.00 18 L 8.00 3.97 0.00 1.86 1.70 0.89 0.73 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 19 K 8.43 3.86 0.00 1.76 1.95 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.45 7.81 20 L 7.76 3.94 0.00 1.82 1.71 0.93 0.73 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 21 A 7.92 3.50 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.75 3.71 0.00 1.57 1.73 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.51 7.81 23 G 8.93 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 0.00 0.00 0.00 24 Y 7.59 4.69 0.00 2.98 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 25 W 9.06 4.26 0.00 3.50 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 26 G 7.44 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.78 4.02 0.00 1.78 1.78 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.28 4.18 0.00 2.23 2.06 0.00 3.36 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 1.65 0.00 29 S 7.91 4.86 0.00 3.83 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 30 K 8.43 4.24 0.00 1.69 1.85 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.44 7.81 31 S 7.98 4.24 0.00 3.85 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 *32 F 8.63 4.30 0.00 2.34 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 0.00 0.00 0.00 0.00 33 R 8.41 4.64 0.00 1.76 1.97 0.00 2.99 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 34 K 7.99 4.45 0.00 1.97 1.83 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.42 1.37 7.81 35 A 7.97 4.68 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 36 R 7.89 3.66 0.00 1.73 1.73 0.00 3.16 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 1.23 0.00 37 E 8.05 4.08 0.00 2.19 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 2.52 2.47 0.00 38 T 8.22 3.83 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 0.41 0.00 0.00 39 L 8.32 4.07 0.00 1.70 1.68 0.97 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.33 4.50 0.00 3.30 2.80 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 41 A 8.20 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.89 3.83 1.35 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 0.00 0.00 43 G 8.19 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.12 4.61 0.00 2.76 3.00 0.00 0.00 7.16 7.48 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 45 Y 8.10 4.14 0.00 3.17 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 46 A 8.05 4.14 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 47 Y 8.05 4.20 0.00 3.05 3.19 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 48 A 8.22 3.66 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 49 H 8.87 4.26 0.00 3.36 3.27 0.00 5.65 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 50 R 8.17 4.04 0.00 1.79 2.06 0.00 3.26 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 51 K 7.60 4.04 0.00 1.85 1.72 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.23 1.10 7.81 52 R 7.48 3.92 0.00 1.84 2.04 0.00 3.27 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 53 R 8.34 3.65 0.00 1.76 2.09 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.53 0.00 54 K 7.68 4.03 0.00 1.92 1.91 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.79 1.63 7.81 55 R 7.56 4.35 0.00 1.95 2.09 0.00 2.90 0.00 0.00 3.29 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 56 D 8.19 3.98 0.00 2.53 2.30 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 57 F 7.52 4.20 0.00 2.73 1.45 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 0.00 0.00 0.00 0.00 58 R 6.86 3.72 0.00 1.74 2.02 0.00 3.11 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 59 R 7.28 3.78 0.00 1.87 1.85 0.00 3.04 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 60 L 7.02 3.88 0.00 1.75 1.62 1.06 1.10 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 61 W 7.73 4.38 0.00 3.57 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 62 I 7.61 3.66 1.81 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 1.70 0.93 0.06 0.00 0.00 63 V 7.83 3.49 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 0.97 0.00 0.00 0.90 0.00 0.00 64 R 8.16 3.92 0.00 2.35 1.99 0.00 3.23 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 65 I 8.78 3.88 2.25 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.03 1.34 0.00 0.00 66 N 9.09 4.32 0.00 2.67 2.94 0.00 0.00 7.35 8.54 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 67 A 8.21 4.21 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 68 A 8.59 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 C 9.15 4.43 0.00 3.07 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 70 R 7.70 5.14 0.00 2.21 2.16 0.00 3.15 0.00 0.00 3.05 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 71 Q 7.77 4.28 0.00 2.12 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 7.19 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 72 H 8.02 4.91 0.00 3.11 3.22 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.67 4.36 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 0.00 74 L 7.44 4.37 0.00 1.88 1.78 0.80 0.11 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 75 N 7.88 5.13 0.00 3.02 3.06 0.00 0.00 6.89 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 76 Y 9.03 4.32 0.00 3.33 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 77 S 8.48 3.78 0.00 4.12 3.83 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 78 T 9.17 3.87 4.29 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 1.25 0.00 0.00 79 F 8.34 4.22 0.00 3.13 3.08 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 80 I 7.75 3.24 1.56 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 0.07 -0.06 0.74 0.00 0.00 81 H 7.90 4.14 0.00 3.17 3.56 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.67 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 83 L 7.96 3.75 0.00 1.81 1.64 1.21 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.54 3.83 0.00 1.87 1.97 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.50 7.81 85 K 8.47 3.83 0.00 1.72 1.74 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.47 7.81 86 A 8.69 4.10 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 87 G 7.61 3.84 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 0.00 0.00 0.00 88 I 7.37 4.24 1.84 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 1.42 0.83 0.89 0.00 0.00 89 E 7.81 4.57 0.00 2.08 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 0.00 2.25 2.27 0.00 90 V 7.82 4.09 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 0.88 0.00 0.00 0.91 0.00 0.00 91 D 9.74 3.84 0.00 2.67 2.51 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 92 R 8.79 3.59 0.00 1.76 1.82 0.00 3.19 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 93 K 7.35 4.65 0.00 2.11 2.18 0.00 1.64 0.00 0.00 1.89 0.00 0.00 3.26 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.74 1.72 7.81 94 N 7.31 2.00 0.00 1.44 2.22 0.00 0.00 6.98 7.78 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 95 L 8.46 4.03 0.00 1.74 1.58 0.85 0.70 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 96 A 7.24 4.57 1.54 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 97 D 7.56 4.70 0.00 2.79 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 98 L 7.80 4.32 0.00 2.05 1.97 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.96 3.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.66 3.99 2.24 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 0.80 0.00 0.00 0.88 0.00 0.00 101 R 7.54 4.20 0.00 1.90 1.82 0.00 3.31 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 102 E 8.85 3.72 0.00 2.19 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 2.30 2.23 0.00 103 P 0.00 4.66 0.00 2.29 2.45 0.00 3.88 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.92 0.00 104 Q 8.03 4.00 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.08 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 105 V 8.04 3.69 2.30 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 1.03 0.00 0.00 0.96 0.00 0.00 106 F 8.16 3.83 0.00 3.24 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 0.00 107 A 8.82 4.20 1.52 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 0.00 108 E 8.45 4.00 0.00 2.11 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 2.33 2.51 0.00 109 L 7.77 4.17 0.00 1.50 1.64 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.23 3.14 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 0.87 0.00 0.00 0.57 0.00 0.00 111 E 7.77 3.87 0.00 2.13 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 2.52 2.49 0.00 112 R 8.23 3.87 0.00 1.86 2.00 0.00 3.31 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 113 A 8.11 4.14 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.82 4.06 0.00 1.89 1.90 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.40 7.81 115 A 7.98 4.14 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.29 4.40 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 0.00 117 Q 7.95 4.31 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 118 G 8.52 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 * Residues marked with a * may have inaccurate shift predictions.