NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3457 8.3149 120.1418 55.3532 33.7575 175.5452 2 P 4.2972 0.0000 0.0000 61.7987 32.0661 176.3579 3 G 3.7111 9.0792 109.5846 47.6141 0.0000 175.4163 4 A 4.0017 8.0976 121.9153 55.6005 18.2735 179.0110 5 M 3.9344 7.6206 115.3737 57.3352 31.8558 176.7018 6 Y 4.8449 8.0716 114.2607 57.2025 40.5747 176.6724 7 R 4.2214 7.9572 116.0015 56.8351 30.0413 175.7926 8 N 5.1059 7.3995 116.1663 52.2687 40.4702 174.9154 9 S 4.7966 8.2367 115.7337 58.4591 63.2830 175.5466 10 S 4.3703 7.9733 114.9429 59.4377 63.8323 174.4612 11 K 4.3917 7.7017 120.1016 54.4690 33.1319 174.4156 12 P 4.4827 0.0000 0.0000 62.0911 31.9050 176.4224 13 A 4.3154 8.4073 123.3571 52.4795 18.9585 177.2106 14 Y 4.8901 8.7355 122.9747 56.1015 39.5723 175.2923 15 T 4.5437 8.1146 112.2048 60.7339 71.1317 174.9108 16 R 4.2445 7.7821 122.3402 55.8052 29.0983 177.2064 17 R 3.9068 8.3326 123.7205 58.4438 30.3556 179.0794 18 E 3.8781 7.8763 114.6270 58.1617 29.6934 176.8726 19 Y 4.8440 7.7062 115.1290 57.4145 39.2185 175.1759 20 I 4.6846 7.5695 120.9899 59.4117 40.5126 174.7566 21 S 4.7114 8.2962 118.2066 57.2860 65.9891 173.0203 22 G 3.8212 8.5977 105.9869 46.7766 0.0000 173.7004 23 I 4.1265 7.7303 120.1481 59.1451 38.1232 174.6074 24 P 4.3692 0.0000 0.0000 62.1172 31.8534 176.6951 25 G 3.7681 8.3395 110.5915 45.1993 0.0000 173.2182 26 K 4.1572 8.2777 121.6894 55.9394 32.8413 177.2067 27 K 4.2671 8.7962 122.9814 56.9685 32.6185 177.0876 28 I 3.9643 7.6114 120.5972 61.1824 37.1827 175.7003 29 A 4.1658 10.2478 130.4689 54.7737 18.4221 177.1942 30 Q 4.8416 7.5801 111.0656 54.7032 33.3192 174.5321 31 F 4.5355 9.0062 116.1290 57.3999 42.3213 174.8416 32 D 5.5639 8.4242 118.1741 52.8343 42.5627 175.6929 33 M 4.8049 9.3481 122.8291 54.2667 36.2551 176.2645 34 G 3.4596 8.8257 106.2844 46.0504 0.0000 176.1045 35 N 4.6132 8.4264 113.2005 52.2787 36.8710 175.2773 36 N 4.6798 8.1627 116.4178 53.7041 38.3286 177.5339 37 G 3.6055 8.0222 108.0840 47.9083 0.0000 174.0500 38 A 4.4653 7.6019 121.6358 50.8982 20.1542 176.5562 39 G 4.0885 8.0691 108.2013 43.0171 0.0000 171.7522 40 P 4.2742 0.0000 0.0000 62.6759 29.8862 176.9891 41 T 4.6359 7.7400 112.4489 61.3674 69.6687 174.7521 42 Y 4.7494 7.8641 117.8643 56.7341 40.7703 174.8223 43 P 4.3851 0.0000 0.0000 65.4648 31.9253 176.5595 44 A 5.6172 8.1015 119.8993 49.9531 21.6048 175.9090 45 Q 4.5014 8.5149 121.3801 54.7967 32.0182 173.6918 46 V 4.9131 8.1052 126.8674 61.4731 34.4445 174.3127 47 E 4.8939 9.8614 124.6134 54.4760 34.3904 174.2317 48 L 4.2802 7.8047 125.0564 53.4292 43.8863 175.1817 49 V 4.6533 8.6805 127.6689 60.9008 32.8205 175.0848 50 V 3.9237 8.2326 128.6580 63.1587 32.3482 175.8737 51 E 4.5920 8.5276 125.8524 56.0792 30.0989 176.1104 52 K 4.5191 7.5629 117.5798 54.2698 36.1683 173.6974 53 P 4.6158 0.0000 0.0000 63.3688 32.0455 175.9105 54 V 4.5404 8.7704 116.2474 60.8661 37.3944 172.4376 55 Q 5.0769 8.7219 119.9578 54.4076 31.6205 175.3561 56 I 4.4481 8.6728 124.5784 59.1842 40.1645 175.6079 57 R 4.4453 8.6379 127.0523 56.1658 30.7333 177.7334 58 H 4.1539 8.8018 118.1006 58.5227 28.1644 177.5843 59 N 4.0860 7.9272 119.0752 56.4610 38.4616 176.8757 60 A 4.0222 8.0608 121.9912 54.9052 18.4476 179.6457 61 L 3.8392 7.7649 117.1142 58.0241 41.7355 179.0609 62 E 3.8795 8.1107 118.9038 59.3939 29.6565 178.7743 63 A 3.9936 8.0701 120.4073 54.6935 18.0978 179.6350 64 A 3.9625 8.4286 119.9562 55.2836 18.5053 179.7331 65 R 3.8800 8.7050 117.5263 59.6193 30.1606 178.4755 66 V 3.5931 8.0035 117.8940 66.3537 31.2972 177.8794 67 A 3.6761 7.7749 117.7776 54.4518 18.3729 179.0073 68 A 4.5139 7.4699 120.4091 54.1957 18.9571 179.2129 69 N 3.9744 8.4354 115.9220 56.6475 38.8561 177.0542 70 R 3.7071 8.5565 119.9429 59.2824 30.3444 177.3048 71 Y 4.2854 7.4248 119.2104 59.6555 38.6580 177.3394 72 V 3.1707 7.3389 116.5699 62.5034 31.8693 176.6598 73 Q 4.4068 7.7539 120.2092 55.8688 27.5492 175.2423 74 N 4.7035 7.3215 112.6266 52.9807 40.9173 174.1041 75 S 4.5099 7.7176 111.1128 58.1513 65.0764 174.9836 76 G 3.9808 8.2467 107.4086 44.8573 0.0000 174.3678 77 A 3.9542 8.5872 123.6590 54.3592 18.4043 178.0729 78 A 4.6482 7.6385 117.4672 51.4597 19.6481 175.8722 79 A 4.2027 7.9631 122.8259 54.0662 19.0347 178.9768 80 N 4.7644 8.2760 119.1809 51.7800 37.6814 173.1357 81 Y 4.8471 7.0859 119.6488 55.6346 41.5380 173.2080 82 K 5.0572 8.4914 118.7761 55.2478 36.1560 174.6598 83 F 5.9026 9.5189 126.7107 56.7000 42.1993 174.2764 84 R 5.4929 9.3279 124.2627 53.5510 34.2688 173.8943 85 I 4.5379 8.4951 124.9591 59.3693 38.1769 175.2924 86 R 4.4213 8.5774 126.8052 57.3279 30.0479 176.7711 87 K 4.7493 7.7966 119.3546 54.7961 34.0254 175.4353 88 F 4.7561 8.5252 120.8326 54.8342 41.5718 175.0050 89 P 4.6904 0.0000 0.0000 62.8914 29.0069 175.7361 90 F 4.4566 8.1211 125.2525 61.1397 39.9131 175.4045 91 H 4.5661 8.2785 121.4899 56.0064 30.3328 175.0046 92 V 4.3765 8.5051 127.7241 62.7624 32.1146 175.2212 93 I 4.6688 8.7871 121.1091 59.2815 40.4486 174.8633 94 R 5.1858 8.3407 122.4481 54.1275 33.6088 174.5662 95 E 4.5717 8.1929 118.5822 55.5839 33.0940 174.2416 96 N 5.0800 8.8113 126.7532 52.2419 37.8905 173.8660 97 K 4.4715 7.6427 124.4043 54.4948 31.8818 175.8949 *109 D 4.4743 7.7314 121.0396 54.8411 44.0284 171.7705 110 G 4.1716 8.9513 117.1714 46.3816 0.0000 173.2537 111 M 4.3459 9.1302 120.9426 54.9829 33.4659 176.3637 112 R 3.9044 7.8801 119.5351 57.3020 31.4299 175.9838 113 A 3.8165 8.4723 126.1688 52.8396 15.7916 175.1980 114 P 4.8393 0.0000 0.0000 62.3206 32.5970 176.6125 115 F 3.8710 8.3689 121.9593 58.5242 39.1571 174.6773 116 G 3.9875 8.0688 116.1114 46.2377 0.0000 171.3356 117 K 4.8863 8.3988 118.2240 53.9578 35.3923 174.2140 118 P 4.5613 0.0000 0.0000 63.9424 31.2604 176.3440 119 V 4.3305 8.7850 115.6485 60.4926 34.0985 175.4182 120 G 4.0260 6.9895 105.3891 46.4596 0.0000 171.8195 121 T 5.3428 7.6401 108.0347 60.2070 72.8074 172.6030 122 A 5.0580 8.8738 121.9929 50.8823 23.3249 174.8610 123 A 4.8601 9.0778 122.1625 50.3712 21.5810 176.5228 124 R 4.7664 8.6848 121.6256 55.2736 31.0426 175.9387 125 V 4.4147 8.5450 124.9744 61.3088 34.1447 174.5369 126 H 4.7815 8.7694 124.4769 53.9450 30.1460 174.8844 127 G 3.9077 8.5566 111.2174 47.7725 0.0000 173.3088 128 A 3.9612 9.9471 127.5012 51.6268 18.3659 178.0674 129 N 4.7456 8.0560 113.3865 53.1697 40.1386 173.7300 130 H 5.0398 8.1581 116.6229 54.5091 29.9077 174.6096 131 I 3.8975 8.4614 122.4011 62.0801 39.5832 175.2271 132 F 5.3752 7.5739 119.2128 55.5367 42.9045 174.5099 133 I 5.0727 9.1270 122.4861 59.7207 41.0304 174.1997 134 A 5.4997 9.3650 128.1842 49.9295 23.1369 174.7268 135 W 5.1478 9.1092 118.8091 54.8762 32.7702 175.2346 136 V 4.9716 8.8833 123.2314 60.2925 34.8425 174.2955 137 N 5.0511 8.9079 118.7299 51.5816 40.1519 172.3756 138 P 4.4296 0.0000 0.0000 62.3680 30.8917 176.8081 139 D 4.5836 7.6590 125.6643 51.6827 41.7558 175.5779 140 P 4.4778 0.0000 0.0000 63.2311 29.2322 176.5239 141 N 4.6794 7.8321 118.4746 53.7376 39.5684 176.7939 142 V 3.0638 7.2418 120.9140 64.5733 30.9395 177.8915 143 E 3.8478 7.9073 118.6607 59.0708 28.9762 178.6701 144 E 3.6727 7.9877 118.8873 58.5652 29.6570 178.3240 145 A 3.8130 7.7227 120.7028 54.1713 18.3096 178.9931 146 W 4.7336 7.4344 116.6267 58.5700 29.3799 178.6817 147 R 4.0003 7.5329 118.0747 58.9900 29.8968 178.0428 148 R 4.1598 7.8541 116.6935 57.5830 30.3670 178.5735 149 A 4.0647 7.8010 121.9892 55.1876 18.6113 179.1759 150 K 4.3372 7.9455 110.9934 58.1227 32.4653 177.4548 151 M 4.2111 7.5130 119.0328 57.1692 32.4191 176.7789 152 K 4.6493 8.0223 116.6382 55.8548 32.8474 175.9578 153 V 4.5322 7.4226 110.8236 59.5064 34.9721 175.5480 154 T 3.9522 8.7469 120.2574 66.4955 68.4352 173.1505 155 P 4.4675 0.0000 0.0000 62.7935 32.4109 175.7733 156 T 4.3676 8.1079 115.2743 63.5768 69.8254 173.8927 157 I 5.0883 8.1306 123.3402 59.6746 41.8849 173.8791 158 N 4.9116 9.1232 122.8370 52.0113 41.3317 173.4488 159 I 4.7472 8.4801 127.2036 60.2607 38.1792 174.1957 160 D 4.9708 9.0074 128.0206 52.3820 43.4501 174.7115 161 S 4.8259 8.7254 120.1451 58.4272 63.9414 171.0932 162 S 4.3801 9.4550 122.3874 58.8235 64.1872 173.4403 163 P 4.3431 0.0000 0.0000 64.1229 32.4983 175.7690 164 A 5.0460 7.9999 129.6167 52.4600 19.7747 175.6419 165 G 4.0907 8.1971 109.5181 45.3058 0.0000 172.5876 166 N 4.7048 7.9788 115.9914 51.5236 37.6164 175.1669 167 A 4.2889 7.5876 124.2889 52.3009 19.1672 177.4609 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 K 8.31 4.35 0.00 1.90 1.92 0.00 2.01 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.55 7.81 2 P 0.00 4.30 0.00 2.24 1.97 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 3 G 9.08 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.10 4.00 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 5 M 7.62 3.93 0.00 0.94 1.67 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 6 Y 8.07 4.84 0.00 3.01 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 7 R 7.96 4.22 0.00 2.00 2.29 0.00 3.11 0.00 0.00 3.30 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 8 N 7.40 5.11 0.00 2.68 2.76 0.00 0.00 6.87 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 9 S 8.24 4.80 0.00 3.82 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 10 S 7.97 4.37 0.00 3.97 3.98 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 0.00 0.00 0.00 11 K 7.70 4.39 0.00 1.85 1.82 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.47 7.81 12 P 0.00 4.48 0.00 2.10 2.04 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 13 A 8.41 4.32 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 14 Y 8.74 4.89 0.00 2.93 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 15 T 8.11 4.54 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 1.40 0.00 0.00 16 R 7.78 4.24 0.00 2.11 2.18 0.00 3.30 0.00 0.00 3.38 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 17 R 8.33 3.91 0.00 1.80 1.92 0.00 3.11 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.00 18 E 7.88 3.88 0.00 1.46 1.77 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 1.52 1.47 0.00 19 Y 7.71 4.84 0.00 2.95 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 20 I 7.57 4.68 1.73 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.68 0.82 0.00 0.00 21 S 8.30 4.71 0.00 3.92 3.81 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 22 G 8.60 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 0.00 0.00 0.00 23 I 7.73 4.13 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.58 0.87 0.00 0.00 24 P 0.00 4.37 0.00 2.00 1.98 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 25 G 8.34 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 0.00 0.00 0.00 26 K 8.28 4.16 0.00 1.73 1.76 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.60 1.52 7.81 27 K 8.80 4.27 0.00 1.74 1.82 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.50 7.81 28 I 7.61 3.96 1.87 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.42 0.16 0.00 0.00 29 A 10.25 4.17 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 30 Q 7.58 4.84 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 31 F 9.01 4.54 0.00 3.05 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 32 D 8.42 5.56 0.00 2.66 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 33 M 9.35 4.80 0.00 2.19 2.36 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.75 0.00 34 G 8.83 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.43 4.61 0.00 2.76 2.79 0.00 0.00 7.19 6.61 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 36 N 8.16 4.68 0.00 2.85 2.99 0.00 0.00 6.32 7.00 0.00 0.00 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 G 8.02 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 38 A 7.60 4.47 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 39 G 8.07 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 0.00 0.00 0.00 40 P 0.00 4.27 0.00 1.65 0.76 0.00 3.41 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.97 0.00 41 T 7.74 4.64 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 1.18 0.00 0.00 42 Y 7.86 4.75 0.00 3.17 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 43 P 0.00 4.39 0.00 2.13 2.17 0.00 4.04 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 44 A 8.10 5.62 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 45 Q 8.51 4.50 0.00 2.30 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 1.96 1.29 0.00 46 V 8.11 4.91 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 1.34 0.00 0.00 0.88 0.00 0.00 47 E 9.86 4.89 0.00 1.70 1.64 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 2.04 2.33 0.00 48 L 7.80 4.28 0.00 0.27 0.92 0.81 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.68 4.65 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 0.97 0.00 0.00 0.90 0.00 0.00 50 V 8.23 3.92 2.02 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 0.87 0.00 0.00 0.85 0.00 0.00 51 E 8.53 4.59 0.00 2.05 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 2.26 2.26 0.00 52 K 7.56 4.52 0.00 1.68 1.64 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.44 7.81 53 P 0.00 4.62 0.00 1.84 1.71 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.17 0.00 54 V 8.77 4.54 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 0.67 0.00 0.00 0.95 0.00 0.00 55 Q 8.72 5.08 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 56 I 8.67 4.45 1.82 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 1.20 0.71 0.86 0.00 0.00 57 R 8.64 4.45 0.00 1.86 1.84 0.00 2.97 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 58 H 8.80 4.15 0.00 3.36 3.50 0.00 5.27 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 59 N 7.93 4.09 0.00 2.73 2.84 0.00 0.00 7.04 8.00 0.00 0.00 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 A 8.06 4.02 1.37 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 61 L 7.76 3.84 0.00 1.71 1.54 0.73 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.11 3.88 0.00 2.12 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 2.35 2.37 0.00 63 A 8.07 3.99 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 64 A 8.43 3.96 1.64 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 0.00 0.00 0.00 65 R 8.71 3.88 0.00 2.16 2.00 0.00 3.21 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.85 0.00 66 V 8.00 3.59 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 0.97 0.00 0.00 1.03 0.00 0.00 67 A 7.77 3.68 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 68 A 7.47 4.51 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 69 N 8.44 3.97 0.00 2.99 2.90 0.00 0.00 6.93 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 70 R 8.56 3.71 0.00 1.91 2.01 0.00 3.33 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 71 Y 7.42 4.29 0.00 2.93 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 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6.82 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 81 Y 7.09 4.85 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 82 K 8.49 5.06 0.00 1.98 1.92 0.00 1.39 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.02 1.54 7.81 83 F 9.52 5.90 0.00 3.35 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 84 R 9.33 5.49 0.00 2.09 1.98 0.00 3.39 0.00 0.00 3.39 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.90 0.00 85 I 8.50 4.54 1.67 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 1.00 0.02 0.52 0.00 0.00 86 R 8.58 4.42 0.00 1.97 2.15 0.00 3.18 0.00 0.00 3.43 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 87 K 7.80 4.75 0.00 1.62 1.74 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.31 7.81 88 F 8.53 4.76 0.00 2.09 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 0.00 0.00 0.00 0.00 89 P 0.00 4.69 0.00 2.13 2.05 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 90 F 8.12 4.46 0.00 3.20 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 91 H 8.28 4.57 0.00 3.37 3.41 0.00 5.78 0.00 0.00 0.00 0.00 6.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.51 4.38 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 0.83 0.00 0.00 0.82 0.00 0.00 93 I 8.79 4.67 1.52 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.44 0.95 0.00 0.00 94 R 8.34 5.19 0.00 1.52 1.66 0.00 2.46 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.23 0.00 95 E 8.19 4.57 0.00 2.20 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 2.40 2.35 0.00 96 N 8.81 5.08 0.00 2.94 2.67 0.00 0.00 6.87 6.09 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 97 K 7.64 4.47 0.00 1.91 1.84 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.42 7.81 *109 D 7.73 4.47 0.00 2.70 2.66 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 0.00 0.00 0.00 0.00 110 G 8.95 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 M 9.13 4.35 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 112 R 7.88 3.90 0.00 1.78 1.83 0.00 3.37 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 113 A 8.47 3.82 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 0.00 114 P 0.00 4.84 0.00 2.20 2.30 0.00 3.44 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 115 F 8.37 3.87 0.00 3.00 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 0.00 116 G 8.07 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 0.00 0.00 0.00 117 K 8.40 4.89 0.00 1.88 1.94 0.00 1.37 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.40 7.81 118 P 0.00 4.56 0.00 2.14 2.09 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 119 V 8.79 4.33 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 0.79 0.00 0.00 0.82 0.00 0.00 120 G 6.99 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 0.00 121 T 7.64 5.34 4.39 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 1.15 0.00 0.00 122 A 8.87 5.06 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 0.00 123 A 9.08 4.86 1.22 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 0.00 0.00 124 R 8.68 4.77 0.00 1.76 1.93 0.00 3.14 0.00 0.00 3.14 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 125 V 8.54 4.41 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 1.01 0.00 0.00 0.87 0.00 0.00 126 H 8.77 4.78 0.00 3.28 3.20 0.00 5.90 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 0.00 127 G 8.56 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 0.00 128 A 9.95 3.96 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.06 4.75 0.00 2.67 2.66 0.00 0.00 6.50 7.91 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 0.00 130 H 8.16 5.04 0.00 3.01 3.18 0.00 5.51 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.46 3.90 1.62 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.97 0.64 0.00 0.00 132 F 7.57 5.38 0.00 2.25 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 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141 N 7.83 4.68 0.00 2.52 2.69 0.00 0.00 6.75 7.68 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 0.00 142 V 7.24 3.06 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 -0.33 0.00 0.00 143 E 7.91 3.85 0.00 1.94 2.01 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 2.42 2.36 0.00 144 E 7.99 3.67 0.00 2.04 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 2.06 1.75 0.00 145 A 7.72 3.81 1.08 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 0.00 146 W 7.43 4.73 0.00 3.30 3.12 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 0.00 147 R 7.53 4.00 0.00 1.77 1.88 0.00 3.21 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 148 R 7.85 4.16 0.00 1.91 1.86 0.00 2.79 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 149 A 7.80 4.06 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 0.00 150 K 7.95 4.34 0.00 1.89 1.94 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.53 7.81 151 M 7.51 4.21 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 152 K 8.02 4.65 0.00 1.78 1.77 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.37 7.81 153 V 7.42 4.53 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 0.75 0.00 0.00 0.96 0.00 0.00 154 T 8.75 3.95 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 1.21 0.00 0.00 155 P 0.00 4.47 0.00 2.15 2.04 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 156 T 8.11 4.37 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 1.23 0.00 0.00 157 I 8.13 5.09 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.76 0.85 0.00 0.00 158 N 9.12 4.91 0.00 2.85 2.62 0.00 0.00 7.46 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 0.00 159 I 8.48 4.75 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.80 1.15 0.00 0.00 160 D 9.01 4.97 0.00 2.70 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 0.00 161 S 8.73 4.83 0.00 3.94 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 0.00 162 S 9.45 4.38 0.00 3.91 3.66 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 0.00 0.00 0.00 0.00 163 P 0.00 4.34 0.00 2.33 2.12 0.00 3.79 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 164 A 8.00 5.05 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 0.00 165 G 8.20 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 0.00 0.00 0.00 166 N 7.98 4.70 0.00 2.74 2.81 0.00 0.00 7.02 7.35 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 0.00 167 A 7.59 4.29 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 * Residues marked with a * may have inaccurate shift predictions.