NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *5 L 4.2867 8.2845 120.7669 54.3053 42.8419 176.4881 *6 K 4.4912 7.7798 119.9803 52.0626 35.5044 175.9117 7 A 4.1641 8.3167 121.2176 52.8071 19.8281 174.5590 8 G 3.7594 8.4259 103.6499 44.7248 0.0000 174.4473 9 K 4.6075 7.8592 115.6867 54.1335 33.8982 178.1973 10 V 2.9716 7.5086 115.4067 62.5791 31.5687 176.9064 11 A 4.5753 8.5822 114.7899 50.2371 19.4550 178.6142 12 V 4.5181 8.1055 113.0373 61.9556 35.8849 176.1544 13 V 4.3782 7.1438 113.5652 62.7121 33.6515 170.8276 14 V 4.1492 8.1181 122.1020 66.0408 33.1300 177.7888 15 R 4.1917 8.3204 115.2745 56.1369 27.2544 178.4051 16 G 4.0148 7.8154 106.0554 45.5609 0.0000 170.3135 17 R 4.2663 7.5511 119.9773 55.1271 26.8901 173.8933 18 Y 4.7113 7.1302 121.2305 58.3071 46.0762 175.9424 19 A 4.8839 8.8750 131.8302 54.6176 19.2696 175.6888 20 G 4.0277 7.3658 100.0916 41.0000 0.0000 173.1371 21 K 4.5283 8.0756 115.1428 55.5639 35.9960 175.6771 22 K 4.7044 8.5643 123.1574 55.2351 36.0669 175.7351 23 V 4.5782 8.0125 115.4729 60.1738 36.3588 174.0779 24 V 4.4479 9.2128 122.2201 61.1005 34.9422 174.3552 25 I 4.4940 8.1804 125.8796 59.9862 37.6503 175.7138 26 V 3.8100 8.6344 130.5260 64.7860 32.6485 176.4696 27 K 4.2662 6.8152 121.3870 56.4385 35.5597 173.4934 28 P 4.8412 0.0000 0.0000 60.7446 32.1338 173.9681 29 H 4.2727 8.6095 120.9140 58.4561 29.1158 176.4310 30 D 4.6356 7.9339 121.3566 50.2348 41.8436 173.5737 31 E 4.5151 8.1365 117.9031 54.5680 30.8312 175.2576 32 G 4.0029 8.3102 109.5002 45.4855 0.0000 174.1733 33 S 4.9634 8.1032 113.8724 56.7486 61.3702 176.4697 34 K 4.3249 7.0691 120.6350 54.8801 33.0558 176.2226 35 S 3.5829 7.1922 113.5642 56.9901 64.4967 173.0822 36 H 4.5027 8.1382 118.7414 55.2060 33.5055 172.0477 37 P 4.4785 0.0000 0.0000 63.4501 29.8999 176.8627 38 F 3.9557 6.7536 122.9346 57.3474 38.3780 175.7375 39 G 3.7998 8.8109 116.1934 43.9731 0.0000 171.0295 40 H 4.6678 8.5892 120.0663 57.0770 29.7362 175.7768 41 A 4.5208 7.5257 120.6592 51.0614 20.5516 175.0807 42 L 4.9784 8.0949 118.8189 53.6219 44.9310 175.9532 43 V 4.8580 8.3991 123.7816 61.4976 35.3071 173.4301 44 A 4.6886 8.9722 125.0672 51.0212 23.1822 175.0128 45 G 4.4141 8.2795 104.9129 44.3517 0.0000 172.7199 46 I 4.0043 8.3963 124.0905 61.4449 36.4470 177.0264 *47 E 4.1009 9.1032 124.5382 59.8066 30.0720 176.7463 *48 R 4.0477 8.2486 119.2114 59.3573 29.6146 179.3381 *49 Y 4.5500 7.7920 115.9194 56.5168 38.3726 177.0174 *50 P 4.4132 0.0000 0.0000 63.9388 31.5564 181.7603 *51 L 3.6802 7.1066 112.8766 55.6846 38.0928 180.1290 52 K 4.4223 7.8256 119.3616 55.8534 33.4107 177.9022 53 V 3.6748 8.2688 124.1631 65.7922 32.4426 173.7754 54 T 3.3306 7.8262 105.2071 62.1368 68.7950 169.7320 55 K 4.6275 7.9533 119.0072 56.8356 34.1633 174.5194 56 K 3.9433 8.5991 122.3392 57.2810 33.5133 175.2733 57 H 4.9063 7.3578 113.8659 56.8029 33.1054 174.7401 58 G 4.0699 9.0511 106.5760 43.6979 0.0000 172.6904 59 A 5.1505 7.3192 124.9324 51.3572 21.1647 176.2652 60 K 4.5801 8.4796 122.9106 55.2689 33.6027 175.4629 61 K 4.5831 8.1018 121.3156 55.8520 35.0033 175.4740 62 V 4.5188 8.2152 119.8980 61.6221 34.3783 173.7281 63 A 5.5052 8.5171 128.2353 49.0032 22.6466 175.1154 64 K 4.6034 8.4803 118.4218 55.8987 33.6248 177.0679 65 R 4.3163 8.4168 122.0180 55.5359 31.2219 177.7834 66 T 3.8171 8.6278 113.5694 64.8641 69.3023 176.4431 67 K 3.8091 8.0170 122.0197 58.8393 32.0198 179.3901 68 I 4.0284 7.6793 119.6535 64.1491 37.1116 178.4468 69 K 3.9550 8.4024 120.0955 58.9053 31.8484 177.5705 70 P 4.2881 0.0000 0.0000 66.0114 31.1937 178.4988 71 F 4.4388 7.9911 117.5721 60.2287 38.7924 177.8500 72 I 3.7757 8.4250 120.0545 64.2843 36.8252 178.6841 73 K 3.6932 8.4784 119.7885 59.3157 31.8313 179.7263 74 V 3.8084 8.4611 119.0880 66.0821 31.4401 178.3245 75 V 3.6242 8.2887 118.4042 65.7524 31.2312 177.8319 76 N 4.3619 8.0448 116.5796 56.3788 38.2652 177.0088 77 Y 4.3307 8.1582 118.5768 61.1527 37.7531 178.0232 78 N 4.3617 8.4665 116.9986 56.5715 38.8293 176.9435 79 H 4.4053 8.3298 118.0768 58.7929 28.8391 177.9060 80 L 4.1385 8.0021 122.2606 57.2138 41.4502 179.5539 81 L 3.6604 8.1766 119.2930 57.2648 41.5360 177.9083 82 P 4.1699 0.0000 0.0000 65.5554 31.1813 178.7979 83 T 4.0081 8.1650 110.5091 64.2939 68.6157 176.9146 84 R 3.9462 8.5000 121.2949 59.2149 30.1156 178.6455 85 Y 4.4409 8.1603 116.8539 61.2582 37.3472 178.6549 86 T 3.9124 8.5757 111.1096 65.0108 68.7095 176.3906 87 L 3.9727 8.0345 121.9850 57.3641 41.5501 179.3088 88 D 3.8894 8.6808 119.1258 57.2386 40.7189 179.0024 89 V 3.7023 8.0481 119.0837 65.9361 31.5229 177.9275 90 E 3.9202 8.6156 118.4090 59.4362 29.4371 179.0824 91 A 3.9701 7.9778 120.8191 55.1706 18.3541 179.7294 92 F 4.5257 7.9398 116.2304 60.8478 38.5226 178.1212 93 K 4.0866 8.3879 118.4525 59.4222 31.6373 179.7075 94 S 4.1676 7.8636 113.4883 61.4511 63.1531 176.3712 95 V 3.7332 7.4737 120.5323 65.6969 31.3824 177.9586 96 V 3.8050 7.5979 116.7010 66.2888 31.4014 177.0319 97 S 4.1826 7.8924 113.8300 59.1165 63.1039 177.8087 98 T 4.6751 7.9709 115.7246 60.2163 68.0301 174.9089 99 E 4.2266 8.6233 119.8215 56.6039 30.5746 174.4277 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 *5 L 8.28 4.29 0.00 1.68 1.62 0.92 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 *6 K 7.78 4.49 0.00 1.80 1.57 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.23 1.07 7.81 7 A 8.32 4.16 1.26 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 0.00 0.00 8 G 8.43 3.76 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 0.00 0.00 0.00 9 K 7.86 4.61 0.00 1.79 1.72 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.39 7.81 10 V 7.51 2.97 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 0.87 0.00 0.00 1.00 0.00 0.00 11 A 8.58 4.58 0.91 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 12 V 8.11 4.52 2.31 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 0.75 0.00 0.00 0.91 0.00 0.00 13 V 7.14 4.38 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 0.57 0.00 0.00 0.94 0.00 0.00 14 V 8.12 4.15 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 0.87 0.00 0.00 0.92 0.00 0.00 15 R 8.32 4.19 0.00 1.93 2.31 0.00 3.28 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 1.60 1.59 0.00 16 G 7.82 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 0.00 0.00 0.00 17 R 7.55 4.27 0.00 1.99 2.32 0.00 3.51 0.00 0.00 3.38 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 18 Y 7.13 4.71 0.00 2.92 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 19 A 8.88 4.88 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 20 G 7.37 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 21 K 8.08 4.53 0.00 1.57 1.66 0.00 1.63 0.00 0.00 1.80 0.00 0.00 3.28 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.74 7.81 22 K 8.56 4.70 0.00 1.56 1.64 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.72 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.46 7.81 23 V 8.01 4.58 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 0.59 0.00 0.00 1.04 0.00 0.00 24 V 9.21 4.45 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 1.03 0.00 0.00 0.95 0.00 0.00 25 I 8.18 4.49 1.96 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 1.36 1.04 0.91 0.00 0.00 26 V 8.63 3.81 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 0.80 0.00 0.00 0.92 0.00 0.00 27 K 6.82 4.27 0.00 1.74 1.48 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.17 1.16 7.81 28 P 0.00 4.84 0.00 2.21 2.01 0.00 3.84 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 29 H 8.61 4.27 0.00 3.16 3.28 0.00 5.65 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 30 D 7.93 4.64 0.00 2.56 2.50 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 31 E 8.14 4.52 0.00 2.10 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 0.00 2.15 2.11 0.00 32 G 8.31 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 33 S 8.10 4.96 0.00 4.07 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 34 K 7.07 4.32 0.00 1.84 1.66 0.00 1.69 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.36 7.81 35 S 7.19 3.58 0.00 4.00 4.09 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 36 H 8.14 4.50 0.00 3.26 3.15 0.00 5.65 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 37 P 0.00 4.48 0.00 1.88 1.47 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 38 F 6.75 3.96 0.00 3.15 3.01 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 39 G 8.81 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 40 H 8.59 4.67 0.00 3.19 3.39 0.00 5.70 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 41 A 7.53 4.52 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 42 L 8.09 4.98 0.00 1.59 1.48 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.40 4.86 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 0.96 0.00 0.00 1.03 0.00 0.00 44 A 8.97 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.28 4.41 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 0.00 46 I 8.40 4.00 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 1.27 0.57 0.90 0.00 0.00 *47 E 9.10 4.10 0.00 1.89 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 2.31 1.87 0.00 *48 R 8.25 4.05 0.00 1.82 1.87 0.00 3.20 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 *49 Y 7.79 4.55 0.00 2.30 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 *50 P 0.00 4.41 0.00 2.08 1.98 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.58 0.00 *51 L 7.11 3.68 0.00 1.81 1.69 0.92 0.81 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 52 K 7.83 4.42 0.00 1.72 1.75 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.39 7.81 53 V 8.27 3.67 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 0.77 0.00 0.00 0.97 0.00 0.00 54 T 7.83 3.33 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 1.25 0.00 0.00 55 K 7.95 4.63 0.00 1.95 1.93 0.00 1.52 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.17 1.26 7.81 56 K 8.60 3.94 0.00 1.94 1.79 0.00 1.45 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.49 7.81 57 H 7.36 4.91 0.00 3.27 3.39 0.00 5.59 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 9.05 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 0.00 0.00 0.00 59 A 7.32 5.15 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 60 K 8.48 4.58 0.00 1.82 1.81 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.37 7.81 61 K 8.10 4.58 0.00 1.82 2.10 0.00 1.61 0.00 0.00 1.38 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.39 7.81 62 V 8.22 4.52 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 0.73 0.00 0.00 1.07 0.00 0.00 63 A 8.52 5.51 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 64 K 8.48 4.60 0.00 1.65 1.76 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.49 1.47 7.81 65 R 8.42 4.32 0.00 1.89 1.86 0.00 3.17 0.00 0.00 3.43 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.54 0.00 66 T 8.63 3.82 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 1.20 0.00 0.00 67 K 8.02 3.81 0.00 1.80 1.62 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.45 7.81 68 I 7.68 4.03 1.93 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 1.83 0.98 0.97 0.00 0.00 69 K 8.40 3.95 0.00 1.94 1.84 0.00 1.79 0.00 0.00 1.93 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.53 7.81 70 P 0.00 4.29 0.00 2.02 2.38 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 71 F 7.99 4.44 0.00 3.29 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 72 I 8.43 3.78 1.97 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 1.55 1.17 0.89 0.00 0.00 73 K 8.48 3.69 0.00 1.69 1.53 0.00 1.63 0.00 0.00 1.43 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.37 7.81 74 V 8.46 3.81 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 1.16 0.00 0.00 1.13 0.00 0.00 75 V 8.29 3.62 2.14 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 0.82 0.00 0.00 0.95 0.00 0.00 76 N 8.04 4.36 0.00 2.65 2.72 0.00 0.00 6.92 6.75 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 77 Y 8.16 4.33 0.00 3.17 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 78 N 8.47 4.36 0.00 2.77 2.86 0.00 0.00 7.10 7.73 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 79 H 8.33 4.41 0.00 3.25 3.27 0.00 5.62 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 80 L 8.00 4.14 0.00 2.00 1.75 0.97 0.44 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 81 L 8.18 3.66 0.00 1.36 0.94 0.83 0.83 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 82 P 0.00 4.17 0.00 2.23 2.07 0.00 3.60 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.06 0.00 83 T 8.17 4.01 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 1.25 0.00 0.00 84 R 8.50 3.95 0.00 1.93 2.08 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 85 Y 8.16 4.44 0.00 3.13 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 86 T 8.58 3.91 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 87 L 8.03 3.97 0.00 1.82 1.72 0.91 0.89 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 88 D 8.68 3.89 0.00 2.60 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 89 V 8.05 3.70 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 1.12 0.00 0.00 1.07 0.00 0.00 90 E 8.62 3.92 0.00 2.16 1.96 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 2.33 2.43 0.00 91 A 7.98 3.97 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 92 F 7.94 4.53 0.00 3.28 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 93 K 8.39 4.09 0.00 1.98 1.89 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.66 7.81 94 S 7.86 4.17 0.00 4.06 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 95 V 7.47 3.73 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 0.85 0.00 0.00 0.99 0.00 0.00 96 V 7.60 3.80 2.23 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 0.91 0.00 0.00 1.01 0.00 0.00 97 S 7.89 4.18 0.00 4.11 3.93 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 98 T 7.97 4.68 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 99 E 8.62 4.23 0.00 1.93 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 2.22 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.