NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2970 0.0000 0.0000 62.5590 32.3250 175.1521 3 R 4.2096 8.5679 124.0903 54.0518 31.2847 174.9816 4 A 4.4803 8.0959 131.4742 49.7119 18.5306 175.6981 5 K 4.0611 7.8571 120.8537 56.4196 33.6010 178.3039 6 T 3.8218 8.5707 116.5737 67.0291 67.7979 174.3438 7 G 4.0422 8.7219 111.0771 45.2238 0.0000 173.6490 8 V 4.4797 7.3899 114.4792 62.1387 37.9924 177.3247 9 V 3.4754 7.8352 119.1340 65.8487 31.6118 177.7375 10 R 3.8991 7.8763 117.8200 59.2191 30.2559 178.1316 11 R 3.9805 7.9668 117.9262 59.3946 29.7892 178.5140 12 R 3.9065 8.0851 118.0603 59.1876 28.8325 178.8789 13 K 3.8316 7.9072 117.7040 59.7315 31.9937 178.9772 14 H 4.3538 7.9968 116.5240 58.4170 29.0326 177.3580 15 K 4.2216 8.0995 118.6089 58.0633 32.3374 178.7227 16 K 3.9021 7.7695 122.3718 59.8521 32.2536 178.7677 17 I 3.7235 7.2347 119.9031 64.3776 36.8713 178.1270 18 L 3.9438 7.6573 118.5535 57.9524 41.5999 179.7233 19 K 4.0648 8.0139 118.0443 59.3891 31.9219 179.1741 20 L 4.0402 7.7218 118.3219 56.6177 42.1565 176.5991 21 A 4.0886 7.5680 121.4345 51.6177 19.4708 176.2333 22 K 4.1228 7.3119 119.1763 57.7286 33.2730 177.8154 23 G 4.0008 8.6627 109.3394 45.7546 0.0000 173.3998 24 Y 4.8372 7.3875 116.1844 57.1161 40.3797 176.7947 25 W 4.9076 9.3996 132.4892 58.9093 30.7055 176.7306 26 G 3.0452 9.6647 108.3257 46.5206 0.0000 174.8251 27 L 4.3598 8.7148 123.3363 55.1600 43.1497 178.9444 28 R 4.1136 7.9935 118.9689 58.2000 30.1922 177.7039 29 S 4.8537 7.8609 109.7829 57.6485 63.8411 174.4955 30 K 4.3073 7.8040 119.2511 56.8489 34.4470 175.9819 31 S 4.3107 8.1324 117.0811 57.6430 62.1933 175.1772 *32 F 4.2559 8.6152 124.5676 57.8411 37.8569 171.9639 33 R 4.7626 8.8510 116.4674 56.8279 34.0467 177.7477 34 K 3.9051 9.2264 119.0318 59.1991 32.1565 178.6356 35 A 4.8150 7.9345 121.8581 54.8307 17.8761 179.1560 36 R 3.5900 7.9771 116.2038 59.9480 29.7805 178.2211 37 E 3.3484 7.7591 117.8859 59.4736 29.3216 179.5035 38 T 3.7439 8.0109 116.0839 66.3386 68.4321 176.9435 39 L 4.1154 7.7157 120.6047 57.7210 41.5628 179.3317 40 F 4.4603 7.6419 116.6993 60.2711 38.5390 177.5130 41 A 3.6227 7.2581 119.1867 55.1067 18.4429 179.0921 42 A 4.1287 8.2778 119.4603 55.3209 18.0489 179.7110 43 G 3.8653 8.3989 103.5705 48.3971 0.0000 175.1356 44 N 4.4555 8.0199 118.6913 57.1993 38.8499 175.7618 45 Y 4.4474 8.4250 118.9193 59.5666 37.7971 177.9676 46 A 3.8418 8.0101 121.1688 55.7715 19.0766 179.0920 47 Y 4.0113 7.9708 117.0289 60.8610 38.7886 177.7405 48 A 3.9907 7.8321 119.0347 54.3643 18.9467 178.5462 49 H 4.4445 8.8621 115.2516 57.8336 28.7801 177.9401 50 R 3.9853 7.8139 120.5739 59.0065 29.7526 178.8289 51 K 3.8679 7.2817 115.3511 58.3617 32.2055 179.2551 52 R 4.0368 7.2925 118.6078 58.9291 30.2066 178.4109 53 R 3.5978 8.0082 117.2942 60.3009 30.1233 177.2200 54 K 3.7887 8.2976 117.2242 59.7471 32.0060 178.4381 55 R 3.8904 7.8021 118.4419 59.2688 29.8642 178.4698 56 D 4.2735 8.0522 119.4749 56.1389 40.6916 177.7544 57 F 4.3587 7.6362 117.9550 58.9383 39.7584 177.9432 58 R 3.8209 7.5057 115.8502 58.4522 30.0726 177.9091 59 R 4.2756 7.0236 116.0017 57.9351 31.0000 177.9255 60 L 3.9402 7.1064 118.5781 58.9718 41.9219 178.1158 61 W 4.6354 8.4384 119.4006 58.0728 28.8899 178.6101 62 I 3.5515 7.6947 120.4189 64.9062 36.9864 177.5351 63 V 3.6516 8.0597 119.9150 65.1071 31.1965 177.9491 64 R 3.9367 7.8731 119.3465 60.3348 30.3104 178.0100 65 I 4.0580 8.0419 120.2424 62.8831 36.8842 177.1278 66 N 4.4467 8.4609 122.7225 55.7592 39.7681 175.1551 67 A 4.8658 8.0873 122.8164 50.7943 19.7315 175.4001 68 A 4.8325 7.8330 124.5330 53.9557 26.3000 178.1950 69 C 4.8050 8.9303 109.5450 58.5421 30.1575 174.9124 70 R 5.1167 7.8573 119.4429 57.1548 30.1732 176.9851 71 Q 4.2835 7.8209 115.1083 58.2271 28.8898 176.1819 72 H 4.9053 7.6320 114.0764 55.3505 28.8028 174.8145 73 G 3.8318 7.8308 110.8337 45.0709 0.0000 174.8717 74 L 4.0030 7.6051 117.2346 55.3413 41.4554 176.4926 75 N 5.3394 8.2916 116.8363 51.0670 41.0561 175.1436 76 Y 4.0410 10.0892 121.9753 61.1026 38.4872 177.9491 77 S 4.2176 8.5163 114.6255 62.5831 62.5039 175.6651 78 T 4.1788 8.2649 118.7403 64.9959 68.2593 177.0815 79 F 3.8298 8.8070 122.4901 61.4454 39.8668 178.3400 80 I 3.6798 7.7129 119.5686 64.5629 36.9700 177.8770 81 H 4.2970 7.7635 118.7862 58.9194 29.5333 177.7017 82 G 3.4381 8.3234 107.9988 47.7141 0.0000 175.7590 83 L 4.0029 7.6507 121.9785 57.1523 41.4004 179.6773 84 K 3.8638 7.9839 118.4279 59.4719 32.3557 178.2526 85 K 3.9271 7.8722 118.3258 60.1459 32.0412 177.7364 86 A 4.0826 8.3746 120.4512 53.5862 18.2143 176.4473 87 G 3.1907 7.4370 107.9402 44.8249 0.0000 174.1644 88 I 4.3284 7.4507 117.4626 58.7973 36.7929 174.8500 89 E 4.4233 8.2096 127.6779 57.3488 30.5308 178.7505 90 V 3.9004 7.2863 123.4429 64.0074 32.8292 174.9221 91 D 4.5108 9.2601 119.2601 56.0345 40.7215 176.4886 92 R 3.8538 8.5497 114.5428 56.7084 28.1154 178.9690 93 K 4.0001 7.8029 122.5803 58.2066 31.9592 177.8072 94 N 2.0000 9.5733 115.0296 55.3928 38.9594 175.3587 95 L 4.9245 8.5993 116.0249 54.1743 41.4120 176.6655 96 A 4.5612 7.3617 120.9917 52.3745 19.1100 179.1550 97 D 4.4274 7.7059 120.4784 56.1320 39.6006 177.5463 98 L 3.9571 7.8424 122.0660 57.4982 41.5203 178.9853 99 A 3.3532 7.3899 119.8079 54.8352 17.9771 179.4874 100 V 3.6255 7.0577 115.4699 64.4193 31.9590 176.0645 101 R 4.5009 7.8695 118.2253 55.4561 31.5265 175.2085 102 E 4.3507 8.9647 116.2308 55.3027 28.0029 173.3179 103 P 4.5657 0.0000 0.0000 66.7378 31.7865 178.2648 104 Q 4.0334 8.3216 117.4073 59.0807 28.6363 179.4373 105 V 3.6251 7.4039 119.3231 65.9327 31.5863 177.6202 106 F 4.1601 8.3273 119.5634 61.5589 39.2852 176.4204 107 A 4.2005 8.6384 120.5847 55.7544 18.1027 179.5267 108 E 3.9041 8.2891 116.6797 59.2455 29.4426 179.6293 109 L 3.7786 7.6802 118.8479 57.7204 41.6617 179.2733 110 V 2.6164 7.4949 118.5561 66.7280 30.8868 177.1556 111 E 3.8766 8.2842 118.0009 58.6279 28.9109 179.4678 112 R 3.8646 8.5658 120.8234 60.2773 30.6693 177.9655 113 A 3.9796 8.6297 121.8006 54.1659 18.1579 179.4031 114 K 3.7901 8.6183 116.4842 59.4818 32.5980 179.4211 115 A 3.9896 8.8700 121.9515 54.7990 18.3234 178.7072 116 A 4.2640 7.8483 115.9903 52.4518 19.5777 177.9043 117 Q 4.5038 7.9911 116.5244 54.7171 29.2754 175.8168 118 G 3.7364 7.8797 109.8220 45.8467 0.0000 171.9128 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 4.30 0.00 2.19 2.15 0.00 3.70 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 8.57 4.21 0.00 1.85 1.86 0.00 3.22 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 1.52 1.69 0.00 4 A 8.10 4.48 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 5 K 7.86 4.06 0.00 1.87 1.85 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.48 7.81 6 T 8.57 3.82 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 8.72 4.04 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 0.00 0.00 0.00 8 V 7.39 4.48 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 0.91 0.00 0.00 0.93 0.00 0.00 9 V 7.84 3.48 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 0.96 0.00 0.00 0.96 0.00 0.00 10 R 7.88 3.90 0.00 1.90 1.89 0.00 3.27 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 11 R 7.97 3.98 0.00 1.93 1.92 0.00 3.23 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 12 R 8.09 3.91 0.00 2.05 1.95 0.00 3.20 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 1.65 1.67 0.00 13 K 7.91 3.83 0.00 1.75 1.85 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.68 7.81 14 H 8.00 4.35 0.00 3.52 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.10 4.22 0.00 1.95 2.06 0.00 1.53 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.58 7.81 16 K 7.77 3.90 0.00 1.91 2.05 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.48 7.81 17 I 7.23 3.72 1.89 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 1.75 1.08 0.91 0.00 0.00 18 L 7.66 3.94 0.00 1.75 1.72 0.88 0.82 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 19 K 8.01 4.06 0.00 1.96 1.82 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.68 7.81 20 L 7.72 4.04 0.00 1.85 1.79 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.57 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.31 4.12 0.00 1.61 1.66 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.46 7.81 23 G 8.66 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 24 Y 7.39 4.84 0.00 2.94 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 25 W 9.40 4.91 0.00 3.26 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 26 G 9.66 3.05 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 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.71 4.36 0.00 1.72 1.68 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.99 4.11 0.00 2.05 2.15 0.00 3.27 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 29 S 7.86 4.85 0.00 3.84 3.99 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 30 K 7.80 4.31 0.00 1.67 1.80 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.24 7.81 31 S 8.13 4.31 0.00 3.83 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 *32 F 8.62 4.26 0.00 2.34 2.18 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 33 R 8.85 4.76 0.00 1.86 2.13 0.00 2.75 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 34 K 9.23 3.91 0.00 1.75 1.91 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.59 7.81 35 A 7.93 4.82 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 36 R 7.98 3.59 0.00 1.82 1.93 0.00 3.30 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 37 E 7.76 3.35 0.00 2.09 1.84 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 2.18 2.54 0.00 38 T 8.01 3.74 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 0.87 0.00 0.00 39 L 7.72 4.12 0.00 1.81 1.82 0.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.64 4.46 0.00 3.03 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 41 A 7.26 3.62 1.16 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 0.00 0.00 42 A 8.28 4.13 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 43 G 8.40 3.87 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 0.00 0.00 0.00 44 N 8.02 4.46 0.00 2.92 2.73 0.00 0.00 7.22 8.91 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 45 Y 8.43 4.45 0.00 3.18 2.48 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 46 A 8.01 3.84 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 47 Y 7.97 4.01 0.00 3.13 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 48 A 7.83 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.86 4.44 0.00 3.31 3.32 0.00 5.81 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.81 3.99 0.00 1.88 1.93 0.00 3.17 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 1.66 1.94 0.00 51 K 7.28 3.87 0.00 1.76 1.75 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.17 1.16 7.81 52 R 7.29 4.04 0.00 1.88 1.96 0.00 3.19 0.00 0.00 2.99 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 53 R 8.01 3.60 0.00 1.77 1.95 0.00 3.36 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.47 0.00 54 K 8.30 3.79 0.00 1.89 1.70 0.00 1.78 0.00 0.00 1.92 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.44 7.81 55 R 7.80 3.89 0.00 1.94 2.13 0.00 2.90 0.00 0.00 3.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 56 D 8.05 4.27 0.00 2.39 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 7.64 4.36 0.00 2.71 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 7.51 3.82 0.00 1.68 2.03 0.00 3.15 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 59 R 7.02 4.28 0.00 1.87 1.83 0.00 3.04 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 60 L 7.11 3.94 0.00 1.86 1.62 1.07 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.44 4.64 0.00 3.54 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 62 I 7.69 3.55 1.83 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.14 0.04 0.00 0.00 63 V 8.06 3.65 2.22 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 1.11 0.00 0.00 0.91 0.00 0.00 64 R 7.87 3.94 0.00 1.97 2.02 0.00 3.33 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 65 I 8.04 4.06 2.19 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 1.53 0.92 0.93 0.00 0.00 66 N 8.46 4.45 0.00 2.87 2.96 0.00 0.00 7.14 7.89 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 67 A 8.09 4.87 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 68 A 7.83 4.83 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 69 C 8.93 4.81 0.00 3.51 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 70 R 7.86 5.12 0.00 2.19 2.06 0.00 3.11 0.00 0.00 3.93 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 71 Q 7.82 4.28 0.00 2.48 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.20 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 72 H 7.63 4.91 0.00 3.18 3.24 0.00 5.73 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 7.83 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 74 L 7.61 4.00 0.00 1.90 1.86 1.03 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.29 5.34 0.00 3.11 3.06 0.00 0.00 5.57 7.57 0.00 0.00 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 10.09 4.04 0.00 3.12 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 77 S 8.52 4.22 0.00 4.15 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 0.00 78 T 8.26 4.18 4.64 0.00 0.00 0.00 0.00 0.00 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 79 F 8.81 3.83 0.00 3.14 2.81 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 80 I 7.71 3.68 1.39 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.08 0.83 0.00 0.00 81 H 7.76 4.30 0.00 3.31 3.42 0.00 5.78 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 8.32 3.44 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 0.00 83 L 7.65 4.00 0.00 1.89 1.89 1.12 1.43 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 K 7.98 3.86 0.00 1.85 1.84 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.50 7.81 85 K 7.87 3.93 0.00 1.70 1.84 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.43 7.81 86 A 8.37 4.08 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 87 G 7.44 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 0.00 0.00 0.00 88 I 7.45 4.33 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 1.60 0.70 0.89 0.00 0.00 89 E 8.21 4.42 0.00 2.10 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 0.00 2.26 2.29 0.00 90 V 7.29 3.90 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 0.73 0.00 0.00 0.92 0.00 0.00 91 D 9.26 4.51 0.00 2.92 2.68 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 92 R 8.55 3.85 0.00 1.92 1.90 0.00 3.32 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 93 K 7.80 4.00 0.00 2.03 2.18 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.31 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.60 1.52 7.81 94 N 9.57 2.00 0.00 1.44 2.19 0.00 0.00 7.23 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 95 L 8.60 4.92 0.00 1.70 1.55 0.83 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.36 4.56 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 97 D 7.71 4.43 0.00 2.83 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 98 L 7.84 3.96 0.00 1.94 1.89 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.39 3.35 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.06 3.63 2.21 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 0.83 0.00 0.00 0.86 0.00 0.00 101 R 7.87 4.50 0.00 1.83 1.77 0.00 3.30 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 102 E 8.96 4.35 0.00 2.32 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 2.27 2.24 0.00 103 P 0.00 4.57 0.00 2.33 2.32 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 104 Q 8.32 4.03 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 105 V 7.40 3.63 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 1.05 0.00 0.00 1.01 0.00 0.00 106 F 8.33 4.16 0.00 3.15 3.22 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 0.00 0.00 0.00 0.00 107 A 8.64 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 0.00 108 E 8.29 3.90 0.00 2.23 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 2.32 2.53 0.00 109 L 7.68 3.78 0.00 1.66 1.61 1.05 0.68 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 7.49 2.62 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 0.92 0.00 0.00 0.59 0.00 0.00 111 E 8.28 3.88 0.00 2.08 1.80 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 2.49 2.44 0.00 112 R 8.57 3.86 0.00 1.77 1.95 0.00 3.29 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 113 A 8.63 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 8.62 3.79 0.00 1.91 2.00 0.00 1.22 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.69 1.38 7.81 115 A 8.87 3.99 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 0.00 116 A 7.85 4.26 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 0.00 117 Q 7.99 4.50 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 118 G 7.88 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.