NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 A 4.4145 8.2649 123.5827 52.1196 18.9094 176.9218 17 N 4.6247 8.2423 119.3089 51.7984 41.2696 173.5087 18 P 4.2942 0.0000 0.0000 66.2677 31.8377 178.3443 19 N 4.4175 8.1678 114.3506 56.2657 38.5524 176.8275 20 E 3.9212 8.2723 119.9842 59.2382 29.6561 178.5338 21 A 3.8089 8.2747 120.8168 55.2903 18.3005 178.6545 22 Y 4.3738 8.0744 116.7247 61.3978 38.9170 178.5231 23 R 3.8887 7.8898 117.2059 59.2426 30.3854 178.3742 24 H 4.2444 8.0220 118.0369 59.3601 29.9038 178.4202 25 Y 4.4034 7.6685 116.6588 58.3332 37.5540 178.3314 *27 K 3.8900 8.0106 121.0625 56.3558 34.4459 177.9956 28 K 4.0194 8.0892 119.2695 59.8937 31.7806 178.7629 29 L 4.0914 7.7769 117.5897 57.4520 41.5440 179.1031 30 S 4.2313 7.7259 112.8605 60.2070 63.4911 174.6550 31 Y 4.6340 7.7287 120.4225 58.7913 38.5888 174.7856 32 E 5.3607 8.0071 115.2942 54.7225 32.9929 175.1201 33 T 4.8827 8.6462 113.7585 60.5556 71.8221 172.1624 34 D 5.0378 8.4291 124.5780 51.5516 42.7562 177.1714 35 I 3.8359 8.6167 118.4570 64.6241 36.8994 178.1243 36 A 3.9354 8.0570 120.8420 55.4709 18.2335 179.0130 37 D 4.3312 8.0643 116.6547 57.5235 41.0077 179.1004 38 L 3.9763 7.9298 120.4160 58.1372 42.1342 178.7308 39 S 4.3549 8.7348 113.4667 61.7113 62.0844 176.2379 40 I 3.7288 7.8046 121.0794 64.4316 36.9202 177.7632 41 D 4.5511 7.8236 118.3439 57.5798 40.8005 178.6855 42 I 3.9136 7.5700 118.5439 64.3226 37.2576 178.4545 43 K 3.8967 7.7981 115.7359 58.5631 32.5592 177.5318 *48 G 4.1773 7.9848 107.9637 45.5384 0.0000 172.5319 49 I 5.3997 7.6058 111.1364 59.2050 41.7659 175.5175 50 I 4.3758 8.3830 121.6987 59.6039 40.4241 174.8925 51 V 4.2077 8.3197 128.2281 62.6402 32.5158 174.5430 52 V 4.6575 8.7308 129.0654 61.1097 34.1073 173.7399 53 D 3.6781 8.8130 128.2861 52.7772 42.0556 176.7900 54 V 4.0880 7.6485 125.6006 63.5018 32.6875 176.2781 55 R 4.2650 7.6872 118.9382 55.8988 30.7793 176.3781 56 D 4.5620 8.4977 118.2363 54.1463 42.7006 177.4202 57 A 3.9747 8.5762 123.3518 55.5856 18.4420 179.8736 58 E 3.9216 8.2269 116.9051 59.3946 29.6979 178.7015 59 A 4.1818 8.1128 120.4031 55.4627 18.3025 178.8490 60 Y 3.9017 7.8519 117.1369 60.5455 38.9155 177.6767 61 K 4.2189 8.0351 119.9434 59.1396 32.3617 178.4374 62 E 4.1354 8.1323 118.4744 57.7706 29.7714 176.9307 63 C 4.7411 6.8882 111.2560 58.4190 32.4097 172.2885 64 H 4.5650 7.8326 115.2669 54.4399 30.7752 173.3978 65 I 3.2495 8.0380 121.4274 60.2315 37.1889 174.4298 66 P 4.2985 0.0000 0.0000 64.6030 31.5177 176.3657 67 T 3.3632 8.6845 110.4363 62.1075 67.2803 171.2778 68 A 4.8189 7.6922 122.9106 51.5569 20.1391 177.5441 69 I 4.3602 8.7612 114.3831 59.4378 40.7633 174.3536 70 S 4.3057 7.7448 118.0329 56.9799 63.3722 174.4114 71 I 4.4154 8.3483 128.1853 58.8650 39.6849 171.5822 72 P 4.3287 0.0000 0.0000 62.8896 31.7021 175.9161 73 G 3.9025 8.9830 113.8164 49.2733 0.0000 175.8677 74 N 4.8448 7.8844 115.5062 52.3545 36.9998 175.2146 75 K 4.4314 8.0188 116.1045 56.6213 33.6691 175.5431 76 I 3.8961 7.5776 118.9638 60.5532 37.3190 174.6101 77 N 4.7398 7.7777 122.3165 52.1708 39.7974 174.6529 78 E 4.2102 8.5567 115.4304 58.5945 29.8598 178.9748 79 D 4.3001 8.0450 118.0863 56.8449 41.1006 177.1658 80 T 4.3210 7.7553 113.1226 63.9478 68.9422 175.0672 81 T 4.6124 7.4495 111.3033 60.9472 69.2674 176.1252 82 K 4.0974 7.7379 122.9451 60.0962 32.7133 178.2464 83 R 4.2419 7.8938 115.8768 56.6806 30.5715 176.1020 84 L 4.4072 7.3509 119.3926 53.5577 42.7535 176.3881 85 S 4.3337 8.6197 118.2907 58.0482 62.7257 174.3978 86 K 4.1655 8.5926 125.7785 57.3026 31.7631 177.5093 87 E 4.1933 8.0303 119.3018 57.5166 29.8683 176.5672 88 K 4.6847 7.6759 117.6604 54.8327 34.8487 175.9983 89 V 4.3686 8.0033 121.4432 61.6984 33.0224 175.1710 90 I 4.2615 8.4338 129.5023 61.1660 38.5716 175.3283 91 I 5.5412 8.6172 126.6060 58.8111 39.7611 175.0264 92 T 4.9349 8.5135 117.6763 60.5693 71.3243 173.2851 93 Y 4.9220 7.7604 118.2706 56.4845 41.0638 173.8021 94 C 4.9487 8.5389 123.3411 56.0833 46.8370 173.5973 95 W 4.1647 9.2197 113.9631 59.1193 29.4761 177.3238 96 G 4.6070 7.6813 106.4753 44.6201 0.0000 171.1550 97 P 4.1120 0.0000 0.0000 65.3347 31.3207 177.2076 98 A 4.2601 7.9414 118.3203 52.7820 18.8886 177.3122 99 C 4.9245 7.8903 115.8684 55.2318 42.7430 173.5254 100 N 4.6728 8.4507 119.9828 53.7210 39.4531 177.7483 101 G 3.9657 7.9799 107.2998 47.7864 0.0000 175.3056 102 A 4.0175 8.0626 123.4996 54.9265 18.4581 179.7480 103 T 3.8089 7.8139 113.4803 66.6910 68.6958 176.7292 104 K 3.8247 8.4656 120.4942 59.6199 32.1518 178.9588 105 A 3.9380 8.5711 120.7638 55.3580 18.2230 179.2896 106 A 4.1014 8.4227 119.1047 55.4270 18.3128 179.7390 107 A 3.9449 7.9243 118.9605 55.4256 18.5658 180.0627 108 K 3.8644 7.8607 116.5000 59.4964 31.9668 179.7509 109 F 4.1629 8.3917 117.9631 60.5529 39.0365 177.6657 110 A 4.4568 8.4353 121.9332 54.7188 17.9214 179.4223 111 Q 4.0802 8.2140 117.4110 58.5531 29.1350 177.1441 112 L 4.6220 7.5938 117.9752 54.2030 41.7931 177.0171 113 G 3.8348 7.8250 106.1722 46.1027 0.0000 173.7974 114 F 4.5485 8.3742 118.0232 55.8979 41.5615 175.5850 115 R 4.6941 8.5142 122.9611 55.5201 28.5518 175.6903 116 V 4.5228 7.8780 122.1500 60.8432 33.8875 176.2850 117 K 4.7399 8.6115 122.4493 55.5352 36.0316 174.5584 118 E 4.7582 8.9070 125.9424 55.7269 32.0634 175.5666 119 L 4.6720 8.8037 125.3042 53.5297 43.0490 175.4708 120 I 3.6543 7.9943 121.9601 61.8585 37.7151 175.0421 121 G 3.1391 9.8136 116.9961 44.6388 0.0000 175.0548 122 G 4.2841 7.7288 107.4918 44.9321 0.0000 173.3656 123 I 3.6759 8.0944 118.4300 64.4935 36.4457 177.6297 124 E 4.0730 8.6429 120.3172 60.0166 29.5114 178.7678 125 Y 4.3487 8.1608 115.9653 60.7214 38.0087 178.0065 126 W 4.1335 8.3956 129.3571 60.4699 30.5920 177.9938 127 R 4.0473 8.5159 117.0270 59.6028 29.6888 178.7090 128 K 3.9656 7.5038 115.3837 59.9436 32.0307 177.8656 129 E 4.1093 7.5586 116.3942 56.1404 29.9289 177.6304 130 N 4.5518 7.3200 118.0050 51.3902 41.2928 174.7488 131 G 4.0609 8.0081 107.4548 44.4631 0.0000 173.9768 132 L 4.3786 8.4627 119.3904 54.9517 41.6456 177.2984 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 16 A 8.26 4.41 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 17 N 8.24 4.62 0.00 2.84 2.76 0.00 0.00 7.00 7.15 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 18 P 0.00 4.29 0.00 2.17 2.17 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 19 N 8.17 4.42 0.00 2.85 2.92 0.00 0.00 6.69 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 20 E 8.27 3.92 0.00 2.05 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 2.35 2.38 0.00 21 A 8.27 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.07 4.37 0.00 3.07 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 0.00 23 R 7.89 3.89 0.00 1.99 1.96 0.00 3.25 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 24 H 8.02 4.24 0.00 3.17 3.11 0.00 5.78 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 25 Y 7.67 4.40 0.00 3.04 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 *27 K 8.01 3.89 0.00 1.98 1.88 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.51 7.81 28 K 8.09 4.02 0.00 1.85 2.01 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.28 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.56 7.81 29 L 7.78 4.09 0.00 1.62 1.70 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.73 4.23 0.00 3.79 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 31 Y 7.73 4.63 0.00 3.21 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 32 E 8.01 5.36 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 2.52 2.32 0.00 33 T 8.65 4.88 4.27 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 1.30 0.00 0.00 34 D 8.43 5.04 0.00 2.80 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 35 I 8.62 3.84 1.89 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.88 0.84 0.00 0.00 36 A 8.06 3.94 1.32 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 0.00 0.00 0.00 37 D 8.06 4.33 0.00 2.87 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 38 L 7.93 3.98 0.00 1.92 2.04 0.91 0.85 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 39 S 8.73 4.35 0.00 3.97 4.07 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 0.00 0.00 0.00 0.00 40 I 7.80 3.73 2.03 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 1.82 0.93 0.92 0.00 0.00 41 D 7.82 4.55 0.00 2.87 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 42 I 7.57 3.91 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.70 0.96 0.00 0.00 43 K 7.80 3.90 0.00 1.95 1.89 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.71 7.81 *48 G 7.98 4.18 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 0.00 0.00 0.00 49 I 7.61 5.40 1.98 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 1.34 0.75 0.91 0.00 0.00 50 I 8.38 4.38 1.76 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 1.10 0.97 0.83 0.00 0.00 51 V 8.32 4.21 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 0.95 0.00 0.00 0.87 0.00 0.00 52 V 8.73 4.66 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 0.85 0.00 0.00 0.74 0.00 0.00 53 D 8.81 3.68 0.00 2.65 2.43 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 54 V 7.65 4.09 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 1.01 0.00 0.00 0.86 0.00 0.00 55 R 7.69 4.27 0.00 1.65 1.63 0.00 2.59 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 56 D 8.50 4.56 0.00 2.80 2.65 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 0.00 0.00 0.00 0.00 57 A 8.58 3.97 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 58 E 8.23 3.92 0.00 2.15 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 2.43 2.70 0.00 59 A 8.11 4.18 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.85 3.90 0.00 2.93 3.09 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 0.00 0.00 0.00 0.00 61 K 8.04 4.22 0.00 2.12 1.89 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.59 7.81 62 E 8.13 4.14 0.00 2.24 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 2.39 2.51 0.00 63 C 6.89 4.74 0.00 2.93 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 64 H 7.83 4.56 0.00 3.11 2.83 0.00 5.73 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.04 3.25 1.24 0.00 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.03 -0.55 0.00 0.00 66 P 0.00 4.30 0.00 2.07 2.04 0.00 3.56 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.13 0.00 67 T 8.68 3.36 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 1.22 0.00 0.00 68 A 7.69 4.82 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 69 I 8.76 4.36 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.00 0.88 0.00 0.00 70 S 7.74 4.31 0.00 2.72 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 71 I 8.35 4.42 1.84 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 1.13 0.79 0.81 0.00 0.00 72 P 0.00 4.33 0.00 1.86 1.97 0.00 3.60 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 1.96 2.17 0.00 73 G 8.98 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 0.00 0.00 0.00 74 N 7.88 4.84 0.00 2.79 2.89 0.00 0.00 5.69 7.13 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 75 K 8.02 4.43 0.00 1.60 1.87 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.32 7.81 76 I 7.58 3.90 1.54 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 1.15 0.78 -0.03 0.00 0.00 77 N 7.78 4.74 0.00 2.61 2.84 0.00 0.00 6.57 7.54 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 78 E 8.56 4.21 0.00 2.06 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 2.45 2.30 0.00 79 D 8.05 4.30 0.00 2.64 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 80 T 7.76 4.32 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 1.14 0.00 0.00 81 T 7.45 4.61 4.18 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 1.07 0.00 0.00 82 K 7.74 4.10 0.00 2.03 2.20 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.43 7.81 83 R 7.89 4.24 0.00 1.84 2.03 0.00 3.20 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 84 L 7.35 4.41 0.00 1.92 1.71 0.82 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.62 4.33 0.00 3.89 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 86 K 8.59 4.17 0.00 1.59 1.57 0.00 1.47 0.00 0.00 1.41 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.83 7.81 87 E 8.03 4.19 0.00 1.98 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 2.31 2.41 0.00 88 K 7.68 4.68 0.00 1.69 1.81 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.38 7.81 89 V 8.00 4.37 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 0.98 0.00 0.00 0.94 0.00 0.00 90 I 8.43 4.26 1.46 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.11 -0.15 0.00 0.00 91 I 8.62 5.54 1.83 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 0.89 1.23 0.92 0.00 0.00 92 T 8.51 4.93 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 1.19 0.00 0.00 93 Y 7.76 4.92 0.00 2.97 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 94 C 8.54 4.95 0.00 3.07 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 95 W 9.22 4.16 0.00 3.40 3.26 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 0.00 96 G 7.68 4.61 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 97 P 0.00 4.11 0.00 2.07 2.13 0.00 3.73 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.43 0.00 98 A 7.94 4.26 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 99 C 7.89 4.92 0.00 3.09 3.25 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 0.00 100 N 8.45 4.67 0.00 2.80 2.82 0.00 0.00 6.75 7.60 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 0.00 101 G 7.98 3.97 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 0.00 102 A 8.06 4.02 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 0.00 103 T 7.81 3.81 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 1.20 0.00 0.00 104 K 8.47 3.82 0.00 1.89 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.60 7.81 105 A 8.57 3.94 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 0.00 106 A 8.42 4.10 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 0.00 107 A 7.92 3.94 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 0.00 108 K 7.86 3.86 0.00 1.69 1.65 0.00 1.53 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.58 7.81 109 F 8.39 4.16 0.00 3.25 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 0.00 110 A 8.44 4.46 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 0.00 111 Q 8.21 4.08 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.14 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 112 L 7.59 4.62 0.00 2.21 2.03 0.84 1.11 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 0.00 113 G 7.82 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 0.00 0.00 0.00 114 F 8.37 4.55 0.00 3.32 3.03 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 0.00 115 R 8.51 4.69 0.00 1.97 1.86 0.00 3.24 0.00 0.00 3.40 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 116 V 7.88 4.52 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 0.90 0.00 0.00 0.90 0.00 0.00 117 K 8.61 4.74 0.00 1.85 1.66 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.64 7.81 118 E 8.91 4.76 0.00 2.12 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 0.00 2.45 2.30 0.00 119 L 8.80 4.67 0.00 1.83 1.83 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 120 I 7.99 3.65 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.82 0.96 0.00 0.00 121 G 9.81 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 0.00 0.00 0.00 122 G 7.73 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 0.00 123 I 8.09 3.68 1.95 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.72 1.04 0.00 0.00 124 E 8.64 4.07 0.00 2.31 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 0.00 2.57 2.54 0.00 125 Y 8.16 4.35 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.40 4.13 0.00 3.45 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 0.00 127 R 8.52 4.05 0.00 2.03 2.06 0.00 3.33 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 1.81 2.06 0.00 128 K 7.50 3.97 0.00 1.87 1.83 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.69 7.81 129 E 7.56 4.11 0.00 1.52 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 2.41 2.31 0.00 130 N 7.32 4.55 0.00 1.44 2.30 0.00 0.00 7.11 7.75 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 0.00 131 G 8.01 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 0.00 0.00 0.00 0.00 132 L 8.46 4.38 0.00 1.69 1.59 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.